| 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 | 55.6 | Low | 82.5 | Confident | 124 Ų | 124 | 37.5 Ų | 37.5 | 61% | 0.611 | 21% | 0.21 | S | C | * | . | 0 | 152.1 | 0 | -68 | -171.9 | -165.9 | 0 | 0 | 108.1 | F3 M54 | M1-F3 PolarHBondContact O-N 3.33Å; M1-M54 HydrophobicContact CE-SD 4Å; M1-M54 HydrophobicContact SD-SD 4.48Å | |||
| 2 | P | 77.3 | Confident | 81 | Confident | 95 Ų | 95 | 35.7 Ų | 35.7 | 62% | 0.617 | 20% | 0.199 | S | C | * | . | trans | -65.9 | 129.6 | 170 | 27.2 | -31.2 | 0 | 0 | 0 | 109.9 | Q7 | P2-Q7 PolarHBondContact O-NE2 3.29Š| ||
| 3 | F | 86.3 | Confident | 79.6 | Confident | 16 Ų | 16 | 37 Ų | 37 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | trans | -69.6 | 131.9 | 169.8 | -68.7 | -84.8 | 0 | 0 | 0 | 109.8 | M1 W9 V22 V25 V30 R45 S48 V50 | M1-F3 PolarHBondContact O-N 3.33Å; F3-W9 HydrophobicContact CD1-CD2 4.15Å; F3-W9 AromaticContact CD1-CE2 3.56Å; F3-W9 AromaticContact CD1-CH2 3.97Å; F3-W9 HydrophobicContact CD1-CH2 3.97Å; F3-W9 AromaticContact CD1-CZ2 3.47Å; F3-W9 HydrophobicContact CD1-CZ2 3.47Å; F3-W9 VanDerWaalsContact CD1-CZ2 3.47Å; F3-W9 HydrophobicContact CD1-CZ3 4.49Å; F3-W9 AromaticContact CD1-NE1 3.9Å; F3-W9 AromaticContact CE1-CD2 3.69Å; F3-W9 HydrophobicContact CE1-CD2 3.69Å; F3-W9 AromaticContact CE1-CE2 3.53Å; F3-W9 AromaticContact CE1-CE3 3.72Å; F3-W9 HydrophobicContact CE1-CE3 3.72Å; F3-W9 HydrophobicContact CE1-CG 4.5Å; F3-W9 AromaticContact CE1-CH2 3.5Å; F3-W9 HydrophobicContact CE1-CH2 3.5Å; F3-W9 VanDerWaalsContact CE1-CH2 3.5Å; F3-W9 AromaticContact CE1-CZ2 3.45Å; F3-W9 HydrophobicContact CE1-CZ2 3.45Å; F3-W9 VanDerWaalsContact CE1-CZ2 3.45Å; F3-W9 AromaticContact CE1-CZ3 3.63Å; F3-W9 HydrophobicContact CE1-CZ3 3.63Å; F3-W9 HydrophobicContact CG-CZ2 4.27Å; F3-W9 HydrophobicContact CZ-CE3 4.36Å; F3-W9 AromaticContact CZ-CH2 3.85Å; F3-W9 HydrophobicContact CZ-CH2 3.85Å; F3-W9 HydrophobicContact CZ-CZ2 4.22Å; F3-W9 AromaticContact CZ-CZ3 3.93Å; F3-W9 HydrophobicContact CZ-CZ3 3.93Å; F3-V22 HydrophobicContact CD1-CG2 4.01Å; F3-V25 HydrophobicContact CB-CG1 4.25Å; F3-V25 HydrophobicContact CB-CG2 3.92Å; F3-V30 HydrophobicContact CB-CG2 4.15Å; F3-V30 HydrophobicContact CD1-CB 4.32Å; F3-V30 HydrophobicContact CD1-CG1 4.22Å; F3-V30 HydrophobicContact CD1-CG2 3.72Å; F3-V30 HydrophobicContact CD2-CB 4.35Å; F3-V30 HydrophobicContact CD2-CG1 4.3Å; F3-V30 HydrophobicContact CD2-CG2 4.5Å; F3-V30 HydrophobicContact CE1-CG1 3.94Å; F3-V30 HydrophobicContact CE1-CG2 4.21Å; F3-V30 HydrophobicContact CE2-CG1 4.04Å; F3-V30 HydrophobicContact CG-CB 4.22Å; F3-V30 HydrophobicContact CG-CG1 4.39Å; F3-V30 HydrophobicContact CG-CG2 3.88Å; F3-V30 HydrophobicContact CZ-CG1 3.85Å; F3-R45 HydrophobicContact CD2-CG 3.96Å; F3-R45 HydrophobicContact CE2-CG 4.26Å; F3-S48 WeakPolarHBondContact CZ-OG 3.48Å; F3-V50 HydrophobicContact CE1-CG2 3.99Å; F3-V50 HydrophobicContact CZ-CG2 3.93Å | ||
| 4 | T | 88.9 | Confident | 78.6 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 26% | 0.264 | 21% | 0.208 | S | C | . | . | trans | -126.2 | 141 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | G6 Q7 V22 | T4-G6 PolarHBondContact O-N 3.04Å; T4-Q7 VanDerWaalsContact N-CD 3.32Å; T4-Q7 WeakPolarHBondContact O-CB 3.23Å; T4-Q7 VanDerWaalsContact O-CG 3.29Å; T4-Q7 WeakPolarHBondContact O-CG 3.37Å; T4-Q7 PolarHBondContact O-N 2.99Å; T4-Q7 VanDerWaalsContact O-N 3.15Å; T4-Q7 PolarHBondContact OG1-NE2 3.29Å; T4-V22 WeakPolarHBondContact O-CB 3.48Å | ||
| 5 | L | 89 | Confident | 77.7 | Confident | 103 Ų | 103 | 36.3 Ų | 36.3 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.5 | 176.4 | -68.1 | 173 | 0 | 0 | 0 | 111.3 | Q7 V22 V23 | L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-V22 WeakPolarHBondContact CA-O 3.26Å; L5-V22 HydrophobicContact CD2-CG1 4.41Å; L5-V23 WeakPolarHBondContact CD2-O 3.44Å |
| 6 | G | 86.7 | Confident | 76.7 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -10.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | T4 V22 L80 V100 | T4-G6 PolarHBondContact O-N 3.04Å; G6-V22 PolarHBondContact N-O 2.97Å; G6-L80 VanDerWaalsContact C-CD2 3.42Å; G6-V100 WeakPolarHBondContact O-CG2 3.45Å |
| 7 | Q | 91 | Very high | 76.2 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | trans | -61.6 | 149.5 | 173.2 | -73.3 | 177.1 | -17 | 0 | 0 | 110.7 | P2 T4 L5 W9 T21 V22 G79 L80 E99 | P2-Q7 PolarHBondContact O-NE2 3.29Å; T4-Q7 VanDerWaalsContact N-CD 3.32Å; T4-Q7 WeakPolarHBondContact O-CB 3.23Å; T4-Q7 VanDerWaalsContact O-CG 3.29Å; T4-Q7 WeakPolarHBondContact O-CG 3.37Å; T4-Q7 PolarHBondContact O-N 2.99Å; T4-Q7 VanDerWaalsContact O-N 3.15Å; T4-Q7 PolarHBondContact OG1-NE2 3.29Å; L5-Q7 VanDerWaalsContact C-N 3.33Å; Q7-W9 VanDerWaalsContact CB-NE1 3.29Å; Q7-W9 VanDerWaalsContact OE1-NE1 3.12Å; Q7-T21 WeakPolarHBondContact O-CA 3.4Å; Q7-V22 HydrophobicContact CB-CG2 4.06Å; Q7-V22 PolarHBondContact O-N 3.44Å; Q7-G79 PolarHBondContact NE2-O 2.93Å; Q7-L80 HydrophobicContact CG-CD2 3.96Å; Q7-E99 WeakPolarHBondContact CA-OE1 3.17Å | ||
| 8 | R | 88.2 | Confident | 76 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.9 | -177.5 | -60.6 | -68 | -91.8 | 143.7 | 3.2 | 111.2 | L19 G20 T21 V53 E99 L102 S104 | R8-L19 HydrophobicContact CB-CD1 3.9Å; R8-L19 HydrophobicContact CB-CD2 3.79Å; R8-L19 HydrophobicContact CB-CG 3.81Å; R8-L19 HydrophobicContact CG-CD2 4.18Å; R8-L19 HydrophobicContact CG-CG 4.47Å; R8-L19 PolarHBondContact NH1-O 3.29Å; R8-L19 PolarHBondContact NH2-O 3.32Å; R8-G20 CarbonylContact C-O 3.42Å; R8-G20 VanDerWaalsContact CA-O 3.26Å; R8-G20 WeakPolarHBondContact CA-O 3.32Å; R8-G20 VanDerWaalsContact NH1-C 3.32Å; R8-G20 PolarHBondContact NH1-O 3.34Å; R8-T21 WeakPolarHBondContact CD-OG1 3.18Å; R8-T21 PolarHBondContact NH1-OG1 3.42Å; R8-V53 PolarHBondContact O-N 3.25Å; R8-E99 HydrophobicContact CB-CG 3.98Å; R8-E99 HydrophobicContact CG-CG 3.78Å; R8-E99 WeakPolarHBondContact CG-O 3.44Å; R8-E99 PolarHBondContact N-OE1 3Å; R8-L102 HydrophobicContact CB-CD1 4.42Å; R8-L102 HydrophobicContact CG-CD1 4.37Å; R8-L102 PolarHBondContact NH2-O 2.84Å; R8-S104 VanDerWaalsContact NH2-CA 3.27Å; R8-S104 PolarHBondContact NH2-OG 3.09Å |
| 9 | W | 87.1 | Confident | 76.2 | Confident | 13 Ų | 13 | 35.1 Ų | 35.1 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.5 | -172.1 | -67.3 | 71.6 | 0 | 0 | 0 | 110.5 | F3 Q7 G20 V22 L32 V50 T51 R52 | F3-W9 HydrophobicContact CD1-CD2 4.15Å; F3-W9 AromaticContact CD1-CE2 3.56Å; F3-W9 AromaticContact CD1-CH2 3.97Å; F3-W9 HydrophobicContact CD1-CH2 3.97Å; F3-W9 AromaticContact CD1-CZ2 3.47Å; F3-W9 HydrophobicContact CD1-CZ2 3.47Å; F3-W9 VanDerWaalsContact CD1-CZ2 3.47Å; F3-W9 HydrophobicContact CD1-CZ3 4.49Å; F3-W9 AromaticContact CD1-NE1 3.9Å; F3-W9 AromaticContact CE1-CD2 3.69Å; F3-W9 HydrophobicContact CE1-CD2 3.69Å; F3-W9 AromaticContact CE1-CE2 3.53Å; F3-W9 AromaticContact CE1-CE3 3.72Å; F3-W9 HydrophobicContact CE1-CE3 3.72Å; F3-W9 HydrophobicContact CE1-CG 4.5Å; F3-W9 AromaticContact CE1-CH2 3.5Å; F3-W9 HydrophobicContact CE1-CH2 3.5Å; F3-W9 VanDerWaalsContact CE1-CH2 3.5Å; F3-W9 AromaticContact CE1-CZ2 3.45Å; F3-W9 HydrophobicContact CE1-CZ2 3.45Å; F3-W9 VanDerWaalsContact CE1-CZ2 3.45Å; F3-W9 AromaticContact CE1-CZ3 3.63Å; F3-W9 HydrophobicContact CE1-CZ3 3.63Å; F3-W9 HydrophobicContact CG-CZ2 4.27Å; F3-W9 HydrophobicContact CZ-CE3 4.36Å; F3-W9 AromaticContact CZ-CH2 3.85Å; F3-W9 HydrophobicContact CZ-CH2 3.85Å; F3-W9 HydrophobicContact CZ-CZ2 4.22Å; F3-W9 AromaticContact CZ-CZ3 3.93Å; F3-W9 HydrophobicContact CZ-CZ3 3.93Å; Q7-W9 VanDerWaalsContact CB-NE1 3.29Å; Q7-W9 VanDerWaalsContact OE1-NE1 3.12Å; W9-G20 PolarHBondContact N-O 2.66Å; W9-G20 VanDerWaalsContact O-CA 3.28Å; W9-G20 WeakPolarHBondContact O-CA 3.18Å; W9-G20 PolarHBondContact O-N 3.2Å; W9-V22 VanDerWaalsContact CD1-CG2 3.43Å; W9-V22 HydrophobicContact CG-CG2 4.35Å; W9-L32 HydrophobicContact CB-CD1 3.87Å; W9-L32 HydrophobicContact CB-CD2 3.91Å; W9-L32 HydrophobicContact CG-CD2 4.21Å; W9-V50 HydrophobicContact CD2-CG2 4.41Å; W9-V50 HydrophobicContact CE3-CB 3.91Å; W9-V50 HydrophobicContact CE3-CG2 3.53Å; W9-V50 HydrophobicContact CZ3-CG2 3.91Å; W9-V50 WeakPolarHBondContact CZ3-O 3.49Å; W9-T51 CarbonylContact C-O 3.58Å; W9-T51 WeakPolarHBondContact CA-O 3.3Å; W9-R52 HydrophobicContact CD2-CB 3.79Å; W9-R52 HydrophobicContact CD2-CG 4.42Å; W9-R52 HydrophobicContact CE3-CB 4Å; W9-R52 HydrophobicContact CG-CB 4.43Å; W9-R52 HydrophobicContact CH2-CB 3.96Å; W9-R52 HydrophobicContact CZ2-CB 3.74Å; W9-R52 HydrophobicContact CZ2-CG 4.3Å; W9-R52 HydrophobicContact CZ3-CB 4.08Å |
| 10 | I | 80.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 147.1 | 173.6 | -169.9 | 162.2 | 0 | 0 | 0 | 109.5 | V50 T51 V53 F108 Q119 | I10-V50 CarbonylContact O-C 3.56Å; I10-V50 WeakPolarHBondContact O-CA 3.02Å; I10-V50 WeakPolarHBondContact O-CB 3.33Å; I10-T51 PolarHBondContact N-O 3.35Å; I10-T51 PolarHBondContact O-N 2.85Å; I10-V53 HydrophobicContact CB-CG2 4.11Å; I10-V53 HydrophobicContact CG2-CG2 3.85Å; I10-F108 HydrophobicContact CD1-CD2 3.89Å; I10-Q119 HydrophobicContact CG2-CG 4.1Å |
| 11 | S | 76.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130 | 168.1 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | T13 E14 Y43 | S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact OG-OG1 3.49Å; S11-E14 WeakPolarHBondContact CB-O 3.5Å; S11-E14 WeakPolarHBondContact OG-CB 3.2Å; S11-E14 PolarHBondContact OG-N 3.13Å; S11-E14 VanDerWaalsContact OG-N 3.16Å; S11-Y43 PolarHBondContact OG-OH 3.41Å |
| 12 | D | 64.5 | Low | 79.1 | Confident | 16 Ų | 16 | 27 Ų | 27 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -76.3 | -25.3 | -179.8 | -59.4 | -37.4 | 0 | 0 | 0 | 112.2 | P49 V50 T51 R870 | D12-P49 WeakPolarHBondContact CB-O 2.91Å; D12-P49 PolarHBondContact N-O 3.06Å; D12-V50 PolarHBondContact OD2-N 2.98Å; D12-T51 PolarHBondContact OD1-N 2.9Å; D12-T51 PolarHBondContact OD1-OG1 3.38Å; D12-R870 IonicContact OD1-NH2 3.68Å; D12-R870 PolarHBondContact OD1-NH2 2.93Å; D12-R870 IonicContact OD2-CZ 2.77Å; D12-R870 IonicContact OD2-NH1 2.71Å; D12-R870 PolarHBondContact OD2-NH1 2.92Å; D12-R870 IonicContact OD2-NH2 2.78Å; D12-R870 PolarHBondContact OD2-NH2 3.42Å |
| 13 | T | 62.4 | Low | 79.8 | Confident | 53 Ų | 53 | 25.6 Ų | 25.6 | 33% | 0.325 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -96.8 | -31.3 | -179.2 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | S11 P49 | S11-T13 VanDerWaalsContact C-N 3.32Å; S11-T13 PolarHBondContact OG-OG1 3.49Å; T13-P49 HydrophobicContact CG2-CB 4.3Å |
| 14 | E | 66.1 | Low | 79.9 | Confident | 42 Ų | 42 | 26.5 Ų | 26.5 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | trans | -118.6 | 68.2 | -176.7 | -61.5 | 167.3 | 97.1 | 0 | 0 | 109.9 | S11 E16 L17 R41 Y43 | S11-E14 WeakPolarHBondContact CB-O 3.5Å; S11-E14 WeakPolarHBondContact OG-CB 3.2Å; S11-E14 PolarHBondContact OG-N 3.13Å; S11-E14 VanDerWaalsContact OG-N 3.16Å; E14-E16 VanDerWaalsContact C-OE2 3.24Å; E14-E16 VanDerWaalsContact CA-OE1 3.26Å; E14-E16 WeakPolarHBondContact CA-OE1 3.29Å; E14-E16 WeakPolarHBondContact CA-OE2 3.43Å; E14-E16 VanDerWaalsContact CB-OE1 3.26Å; E14-E16 WeakPolarHBondContact CB-OE1 3.44Å; E14-E16 PolarHBondContact O-N 3.19Å; E14-L17 HydrophobicContact CB-CD1 3.65Å; E14-L17 HydrophobicContact CB-CG 3.85Å; E14-L17 HydrophobicContact CG-CD1 4.32Å; E14-L17 PolarHBondContact O-N 3.49Å; E14-R41 IonicContact OE1-CZ 3.75Å; E14-R41 VanDerWaalsContact OE1-CZ 3.3Å; E14-R41 IonicContact OE1-NE 2.69Å; E14-R41 PolarHBondContact OE1-NE 2.81Å; E14-R41 IonicContact OE1-NH2 3.84Å; E14-R41 PolarHBondContact OE1-NH2 3.44Å; E14-R41 IonicContact OE2-NE 3.94Å; E14-R41 PolarHBondContact OE2-NE 2.9Å; E14-Y43 PolarHBondContact OE2-OH 3.12Å | ||
| 15 | S | 65 | Low | 79.9 | Confident | 21 Ų | 21 | 26.7 Ų | 26.7 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -59.3 | -27.5 | -176.5 | 67.1 | 0 | 0 | 0 | 0 | 113.5 | L17 G18 D795 | S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 2.81Å; S15-G18 PolarHBondContact O-N 2.66Å; S15-G18 VanDerWaalsContact O-N 3.15Å; S15-D795 WeakPolarHBondContact CB-OD2 3.26Å; S15-D795 PolarHBondContact OG-OD2 3.43Å |
| 16 | E | 61.9 | Low | 79.8 | Confident | 117 Ų | 117 | 26.1 Ų | 26.1 | 55% | 0.547 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -67.2 | -23.2 | -178.9 | 63.8 | -75.9 | 170.8 | 0 | 0 | 113.8 | E14 G18 | E14-E16 VanDerWaalsContact C-OE2 3.24Å; E14-E16 VanDerWaalsContact CA-OE1 3.26Å; E14-E16 WeakPolarHBondContact CA-OE1 3.29Å; E14-E16 WeakPolarHBondContact CA-OE2 3.43Å; E14-E16 VanDerWaalsContact CB-OE1 3.26Å; E14-E16 WeakPolarHBondContact CB-OE1 3.44Å; E14-E16 PolarHBondContact O-N 3.19Å; E16-G18 PolarHBondContact O-N 3.35Å |
| 17 | L | 67.7 | Low | 79.6 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -65.6 | -19 | 173.7 | -62.5 | 178.3 | 0 | 0 | 0 | 112 | E14 S15 F34 T37 R41 | E14-L17 HydrophobicContact CB-CD1 3.65Å; E14-L17 HydrophobicContact CB-CG 3.85Å; E14-L17 HydrophobicContact CG-CD1 4.32Å; E14-L17 PolarHBondContact O-N 3.49Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 2.81Å; L17-F34 HydrophobicContact CB-CB 4.11Å; L17-F34 HydrophobicContact CB-CD1 3.44Å; L17-F34 VanDerWaalsContact CB-CD1 3.44Å; L17-F34 HydrophobicContact CB-CD2 4.2Å; L17-F34 HydrophobicContact CB-CE1 3.79Å; L17-F34 HydrophobicContact CB-CE2 4.49Å; L17-F34 HydrophobicContact CB-CG 3.66Å; L17-F34 HydrophobicContact CB-CZ 4.31Å; L17-F34 HydrophobicContact CD1-CD1 4.41Å; L17-F34 HydrophobicContact CD1-CD2 3.86Å; L17-F34 HydrophobicContact CD1-CE1 4.3Å; L17-F34 HydrophobicContact CD1-CE2 3.73Å; L17-F34 HydrophobicContact CD1-CG 4.19Å; L17-F34 HydrophobicContact CD1-CZ 3.96Å; L17-F34 HydrophobicContact CG-CG 4.43Å; L17-T37 HydrophobicContact CD2-CG2 4.07Å; L17-R41 HydrophobicContact CD1-CG 4.08Å |
| 18 | G | 72.2 | Confident | 79.4 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | 69.7 | -150.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S15 E16 G20 F34 | S15-G18 PolarHBondContact O-N 2.66Å; S15-G18 VanDerWaalsContact O-N 3.15Å; E16-G18 PolarHBondContact O-N 3.35Å; G18-G20 PolarHBondContact O-N 3.08Å; G18-F34 WeakPolarHBondContact O-CD1 3.49Å; G18-F34 WeakPolarHBondContact O-CE1 3.37Å | ||
| 19 | L | 80.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113 | -175.1 | -167.8 | 65.2 | 0 | 0 | 0 | 111 | R8 P35 V53 L102 S104 L106 | R8-L19 HydrophobicContact CB-CD1 3.9Å; R8-L19 HydrophobicContact CB-CD2 3.79Å; R8-L19 HydrophobicContact CB-CG 3.81Å; R8-L19 HydrophobicContact CG-CD2 4.18Å; R8-L19 HydrophobicContact CG-CG 4.47Å; R8-L19 PolarHBondContact NH1-O 3.29Å; R8-L19 PolarHBondContact NH2-O 3.32Å; L19-P35 VanDerWaalsContact O-CD 3.25Å; L19-P35 WeakPolarHBondContact O-CD 3.43Å; L19-V53 HydrophobicContact CD1-CB 3.79Å; L19-V53 HydrophobicContact CD1-CG1 4.47Å; L19-V53 HydrophobicContact CD1-CG2 3.42Å; L19-V53 VanDerWaalsContact CD1-CG2 3.42Å; L19-L102 HydrophobicContact CD2-CB 3.73Å; L19-L102 HydrophobicContact CD2-CD1 4.17Å; L19-S104 PolarHBondContact N-O 3.29Å; L19-L106 HydrophobicContact CB-CB 4.49Å; L19-L106 HydrophobicContact CD2-CD1 4.14Å |
| 20 | G | 86.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 156.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R8 W9 G18 L33 F34 | R8-G20 CarbonylContact C-O 3.42Å; R8-G20 VanDerWaalsContact CA-O 3.26Å; R8-G20 WeakPolarHBondContact CA-O 3.32Å; R8-G20 VanDerWaalsContact NH1-C 3.32Å; R8-G20 PolarHBondContact NH1-O 3.34Å; W9-G20 PolarHBondContact N-O 2.66Å; W9-G20 VanDerWaalsContact O-CA 3.28Å; W9-G20 WeakPolarHBondContact O-CA 3.18Å; W9-G20 PolarHBondContact O-N 3.2Å; G18-G20 PolarHBondContact O-N 3.08Å; G20-L33 CarbonylContact C-O 3.58Å; G20-L33 WeakPolarHBondContact CA-O 3.47Å; G20-F34 VanDerWaalsContact CA-CD1 3.47Å |
| 21 | T | 89.8 | Confident | 80 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.7 | 176 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | Q7 R8 V23 L32 L33 | Q7-T21 WeakPolarHBondContact O-CA 3.4Å; R8-T21 WeakPolarHBondContact CD-OG1 3.18Å; R8-T21 PolarHBondContact NH1-OG1 3.42Å; T21-V23 HydrophobicContact CG2-CG1 4.44Å; T21-V23 PolarHBondContact O-N 2.76Å; T21-V23 VanDerWaalsContact O-N 3.1Å; T21-L32 WeakPolarHBondContact O-CA 3.37Å; T21-L33 PolarHBondContact N-O 2.81Å; T21-L33 PolarHBondContact O-N 2.86Å |
| 22 | V | 91.9 | Very high | 80.7 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 109.1 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | F3 T4 L5 G6 Q7 W9 V25 V30 L32 | F3-V22 HydrophobicContact CD1-CG2 4.01Å; T4-V22 WeakPolarHBondContact O-CB 3.48Å; L5-V22 WeakPolarHBondContact CA-O 3.26Å; L5-V22 HydrophobicContact CD2-CG1 4.41Å; G6-V22 PolarHBondContact N-O 2.97Å; Q7-V22 HydrophobicContact CB-CG2 4.06Å; Q7-V22 PolarHBondContact O-N 3.44Å; W9-V22 VanDerWaalsContact CD1-CG2 3.43Å; W9-V22 HydrophobicContact CG-CG2 4.35Å; V22-V25 HydrophobicContact CG1-CG2 3.4Å; V22-V25 VanDerWaalsContact CG1-CG2 3.4Å; V22-V30 HydrophobicContact CG1-CG2 3.87Å; V22-V30 HydrophobicContact CG2-CG2 4.32Å; V22-L32 HydrophobicContact CB-CD2 4.23Å; V22-L32 HydrophobicContact CG2-CD2 3.51Å |
| 23 | V | 92 | Very high | 81.8 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -24.3 | -178.9 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | L5 T21 T31 L33 | L5-V23 WeakPolarHBondContact CD2-O 3.44Å; T21-V23 HydrophobicContact CG2-CG1 4.44Å; T21-V23 PolarHBondContact O-N 2.76Å; T21-V23 VanDerWaalsContact O-N 3.1Å; V23-T31 HydrophobicContact CG2-CG2 3.8Å; V23-T31 WeakPolarHBondContact CG2-O 3.43Å; V23-T31 PolarHBondContact N-O 2.71Å; V23-L33 HydrophobicContact CG1-CB 3.65Å; V23-L33 HydrophobicContact CG1-CD2 4.21Å; V23-L33 HydrophobicContact CG2-CB 4.08Å |
| 24 | A | 88.8 | Confident | 82.8 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 29% | 0.289 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T31 | A24-T31 PolarHBondContact O-N 2.78Å |
| 25 | V | 88.8 | Confident | 83.3 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 112.9 | 175 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | F3 V22 V30 | F3-V25 HydrophobicContact CB-CG1 4.25Å; F3-V25 HydrophobicContact CB-CG2 3.92Å; V22-V25 HydrophobicContact CG1-CG2 3.4Å; V22-V25 VanDerWaalsContact CG1-CG2 3.4Å; V25-V30 HydrophobicContact CG2-CG2 4.23Å |
| 26 | D | 87.9 | Confident | 83.5 | Confident | 92 Ų | 92 | 44 Ų | 44 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | trans | -101.1 | -175.5 | 176.3 | -68.7 | -49.8 | 0 | 0 | 0 | 111.3 | R28 T29 R45 | D26-R28 VanDerWaalsContact C-N 3.34Å; D26-R28 PolarHBondContact O-N 3.46Å; D26-T29 PolarHBondContact N-O 2.98Å; D26-R45 PolarHBondContact O-NH1 3.42Å | ||
| 27 | A | 82.3 | Confident | 84 | Confident | 92 Ų | 92 | 41.5 Ų | 41.5 | 76% | 0.76 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -62.8 | -37.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 28 | R | 86.1 | Confident | 84.4 | Confident | 213 Ų | 213 | 43.8 Ų | 43.8 | 80% | 0.804 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -118.9 | -16.5 | -176.6 | -68.4 | -174.2 | 179.4 | 178.5 | -0.5 | 114.5 | D26 R45 | D26-R28 VanDerWaalsContact C-N 3.34Å; D26-R28 PolarHBondContact O-N 3.46Å; R28-R45 WeakPolarHBondContact O-CB 3.32Å; R28-R45 PolarHBondContact O-N 3.46Å |
| 29 | T | 88.3 | Confident | 84.7 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.5 | -170.6 | 47.1 | 0 | 0 | 0 | 0 | 111.5 | D26 L42 Y43 | D26-T29 PolarHBondContact N-O 2.98Å; T29-L42 HydrophobicContact CG2-CD1 4.44Å; T29-L42 HydrophobicContact CG2-CD2 3.99Å; T29-L42 HydrophobicContact CG2-CG 4.13Å; T29-Y43 CarbonylContact C-O 3.52Å; T29-Y43 WeakPolarHBondContact CA-O 3.26Å |
| 30 | V | 90.5 | Very high | 85 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.3 | 170.7 | 59.2 | 0 | 0 | 0 | 0 | 108.3 | F3 V22 V25 Y43 | F3-V30 HydrophobicContact CB-CG2 4.15Å; F3-V30 HydrophobicContact CD1-CB 4.32Å; F3-V30 HydrophobicContact CD1-CG1 4.22Å; F3-V30 HydrophobicContact CD1-CG2 3.72Å; F3-V30 HydrophobicContact CD2-CB 4.35Å; F3-V30 HydrophobicContact CD2-CG1 4.3Å; F3-V30 HydrophobicContact CD2-CG2 4.5Å; F3-V30 HydrophobicContact CE1-CG1 3.94Å; F3-V30 HydrophobicContact CE1-CG2 4.21Å; F3-V30 HydrophobicContact CE2-CG1 4.04Å; F3-V30 HydrophobicContact CG-CB 4.22Å; F3-V30 HydrophobicContact CG-CG1 4.39Å; F3-V30 HydrophobicContact CG-CG2 3.88Å; F3-V30 HydrophobicContact CZ-CG1 3.85Å; V22-V30 HydrophobicContact CG1-CG2 3.87Å; V22-V30 HydrophobicContact CG2-CG2 4.32Å; V25-V30 HydrophobicContact CG2-CG2 4.23Å; V30-Y43 PolarHBondContact N-O 3.12Å; V30-Y43 PolarHBondContact O-N 2.93Å |
| 31 | T | 90.8 | Very high | 84.9 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.4 | 176.3 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | V23 A24 N40 R41 L42 | V23-T31 HydrophobicContact CG2-CG2 3.8Å; V23-T31 WeakPolarHBondContact CG2-O 3.43Å; V23-T31 PolarHBondContact N-O 2.71Å; A24-T31 PolarHBondContact O-N 2.78Å; T31-N40 HydrophobicContact CG2-CB 4.41Å; T31-R41 WeakPolarHBondContact CA-O 3.47Å; T31-L42 WeakPolarHBondContact OG1-CD1 3.47Å |
| 32 | L | 90.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.3 | 172.6 | -68.6 | 177.4 | 0 | 0 | 0 | 109.4 | W9 T21 V22 F34 N40 R41 Y43 V50 | W9-L32 HydrophobicContact CB-CD1 3.87Å; W9-L32 HydrophobicContact CB-CD2 3.91Å; W9-L32 HydrophobicContact CG-CD2 4.21Å; T21-L32 WeakPolarHBondContact O-CA 3.37Å; V22-L32 HydrophobicContact CB-CD2 4.23Å; V22-L32 HydrophobicContact CG2-CD2 3.51Å; L32-F34 HydrophobicContact CB-CE2 3.92Å; L32-F34 HydrophobicContact CB-CZ 4.25Å; L32-F34 HydrophobicContact CD1-CZ 4.24Å; L32-N40 CarbonylContact O-C 3.6Å; L32-N40 WeakPolarHBondContact O-CA 3.49Å; L32-R41 PolarHBondContact N-O 2.77Å; L32-R41 PolarHBondContact O-N 2.78Å; L32-Y43 HydrophobicContact CB-CD2 4.48Å; L32-Y43 HydrophobicContact CB-CE2 4.28Å; L32-Y43 HydrophobicContact CD1-CD2 3.79Å; L32-Y43 HydrophobicContact CD1-CE2 3.7Å; L32-Y43 HydrophobicContact CG-CD2 4.2Å; L32-Y43 HydrophobicContact CG-CE2 4.31Å; L32-V50 HydrophobicContact CD1-CB 4.16Å; L32-V50 HydrophobicContact CD1-CG1 3.67Å; L32-V50 HydrophobicContact CD1-CG2 4.41Å |
| 33 | L | 88.7 | Confident | 84.5 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 29% | 0.293 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.1 | 167.9 | 172.1 | 67.8 | 0 | 0 | 0 | 108.3 | G20 T21 V23 P35 N40 | G20-L33 CarbonylContact C-O 3.58Å; G20-L33 WeakPolarHBondContact CA-O 3.47Å; T21-L33 PolarHBondContact N-O 2.81Å; T21-L33 PolarHBondContact O-N 2.86Å; V23-L33 HydrophobicContact CG1-CB 3.65Å; V23-L33 HydrophobicContact CG1-CD2 4.21Å; V23-L33 HydrophobicContact CG2-CB 4.08Å; L33-P35 VanDerWaalsContact O-CD 3.25Å; L33-P35 WeakPolarHBondContact O-CD 3.4Å; L33-N40 WeakPolarHBondContact CA-OD1 3.23Å; L33-N40 WeakPolarHBondContact CB-OD1 3.42Å; L33-N40 WeakPolarHBondContact CD1-OD1 3.4Å |
| 34 | F | 82.1 | Confident | 84 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 97.2 | 175.2 | -69.5 | -84.4 | 0 | 0 | 0 | 109.8 | L17 G18 G20 L32 S36 T37 G38 E39 R41 Y43 | L17-F34 HydrophobicContact CB-CB 4.11Å; L17-F34 HydrophobicContact CB-CD1 3.44Å; L17-F34 VanDerWaalsContact CB-CD1 3.44Å; L17-F34 HydrophobicContact CB-CD2 4.2Å; L17-F34 HydrophobicContact CB-CE1 3.79Å; L17-F34 HydrophobicContact CB-CE2 4.49Å; L17-F34 HydrophobicContact CB-CG 3.66Å; L17-F34 HydrophobicContact CB-CZ 4.31Å; L17-F34 HydrophobicContact CD1-CD1 4.41Å; L17-F34 HydrophobicContact CD1-CD2 3.86Å; L17-F34 HydrophobicContact CD1-CE1 4.3Å; L17-F34 HydrophobicContact CD1-CE2 3.73Å; L17-F34 HydrophobicContact CD1-CG 4.19Å; L17-F34 HydrophobicContact CD1-CZ 3.96Å; L17-F34 HydrophobicContact CG-CG 4.43Å; G18-F34 WeakPolarHBondContact O-CD1 3.49Å; G18-F34 WeakPolarHBondContact O-CE1 3.37Å; G20-F34 VanDerWaalsContact CA-CD1 3.47Å; L32-F34 HydrophobicContact CB-CE2 3.92Å; L32-F34 HydrophobicContact CB-CZ 4.25Å; L32-F34 HydrophobicContact CD1-CZ 4.24Å; F34-S36 PolarHBondContact O-N 2.86Å; F34-S36 VanDerWaalsContact O-N 3.17Å; F34-T37 PolarHBondContact O-N 3.45Å; F34-T37 PolarHBondContact O-OG1 3.25Å; F34-G38 WeakPolarHBondContact O-CA 3.5Å; F34-G38 PolarHBondContact O-N 3.42Å; F34-E39 PolarHBondContact N-O 3.15Å; F34-E39 PolarHBondContact O-N 3.28Å; F34-R41 HydrophobicContact CD2-CB 4.47Å; F34-R41 HydrophobicContact CD2-CG 4.11Å; F34-R41 HydrophobicContact CE2-CB 3.89Å; F34-R41 HydrophobicContact CE2-CG 3.75Å; F34-Y43 HydrophobicContact CE2-CE2 4.28Å; F34-Y43 HydrophobicContact CZ-CE2 4.46Å |
| 35 | P | 77.1 | Confident | 83.6 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.3 | -169.9 | -18 | 33.8 | 0 | 0 | 0 | 113.6 | L19 L33 S104 | L19-P35 VanDerWaalsContact O-CD 3.25Å; L19-P35 WeakPolarHBondContact O-CD 3.43Å; L33-P35 VanDerWaalsContact O-CD 3.25Å; L33-P35 WeakPolarHBondContact O-CD 3.4Å; P35-S104 WeakPolarHBondContact CG-OG 3.12Å |
| 36 | S | 70 | Confident | 83 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -37 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | F34 S104 K105 | F34-S36 PolarHBondContact O-N 2.86Å; F34-S36 VanDerWaalsContact O-N 3.17Å; S36-S104 VanDerWaalsContact OG-CB 3.22Å; S36-S104 WeakPolarHBondContact OG-CB 3.26Å; S36-S104 PolarHBondContact OG-O 2.95Å; S36-K105 PolarHBondContact OG-N 3.38Å |
| 37 | T | 71.2 | Confident | 82 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -18.8 | 178 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | L17 F34 E39 | L17-T37 HydrophobicContact CD2-CG2 4.07Å; F34-T37 PolarHBondContact O-N 3.45Å; F34-T37 PolarHBondContact O-OG1 3.25Å; T37-E39 VanDerWaalsContact C-N 3.31Å |
| 38 | G | 76.5 | Confident | 81.7 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 7.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | F34 | F34-G38 WeakPolarHBondContact O-CA 3.5Å; F34-G38 PolarHBondContact O-N 3.42Å |
| 39 | E | 78.6 | Confident | 81.1 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 36% | 0.36 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 150.8 | -174.1 | -64.8 | -172 | -165.1 | 0 | 0 | 113.4 | F34 T37 R41 | F34-E39 PolarHBondContact N-O 3.15Å; F34-E39 PolarHBondContact O-N 3.28Å; T37-E39 VanDerWaalsContact C-N 3.31Å; E39-R41 IonicContact OE2-CZ 2.74Å; E39-R41 IonicContact OE2-NH1 3.04Å; E39-R41 PolarHBondContact OE2-NH1 2.86Å; E39-R41 IonicContact OE2-NH2 2.88Å; E39-R41 PolarHBondContact OE2-NH2 2.92Å |
| 40 | N | 86.3 | Confident | 80.8 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130 | 169.5 | -72.9 | -53 | 0 | 0 | 0 | 109.7 | T31 L32 L33 | T31-N40 HydrophobicContact CG2-CB 4.41Å; L32-N40 CarbonylContact O-C 3.6Å; L32-N40 WeakPolarHBondContact O-CA 3.49Å; L33-N40 WeakPolarHBondContact CA-OD1 3.23Å; L33-N40 WeakPolarHBondContact CB-OD1 3.42Å; L33-N40 WeakPolarHBondContact CD1-OD1 3.4Å |
| 41 | R | 83.7 | Confident | 80.2 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.4 | 171.9 | -67 | -74.1 | -169.4 | -98.2 | -3.9 | 110.7 | E14 L17 T31 L32 F34 E39 Y43 | E14-R41 IonicContact OE1-CZ 3.75Å; E14-R41 VanDerWaalsContact OE1-CZ 3.3Å; E14-R41 IonicContact OE1-NE 2.69Å; E14-R41 PolarHBondContact OE1-NE 2.81Å; E14-R41 IonicContact OE1-NH2 3.84Å; E14-R41 PolarHBondContact OE1-NH2 3.44Å; E14-R41 IonicContact OE2-NE 3.94Å; E14-R41 PolarHBondContact OE2-NE 2.9Å; L17-R41 HydrophobicContact CD1-CG 4.08Å; T31-R41 WeakPolarHBondContact CA-O 3.47Å; L32-R41 PolarHBondContact N-O 2.77Å; L32-R41 PolarHBondContact O-N 2.78Å; F34-R41 HydrophobicContact CD2-CB 4.47Å; F34-R41 HydrophobicContact CD2-CG 4.11Å; F34-R41 HydrophobicContact CE2-CB 3.89Å; F34-R41 HydrophobicContact CE2-CG 3.75Å; E39-R41 IonicContact OE2-CZ 2.74Å; E39-R41 IonicContact OE2-NH1 3.04Å; E39-R41 PolarHBondContact OE2-NH1 2.86Å; E39-R41 IonicContact OE2-NH2 2.88Å; E39-R41 PolarHBondContact OE2-NH2 2.92Å; R41-Y43 HydrophobicContact CB-CD2 4.12Å; R41-Y43 HydrophobicContact CB-CE2 3.34Å; R41-Y43 HydrophobicContact CG-CE2 4.27Å |
| 42 | L | 87.7 | Confident | 80 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.2 | 175.7 | -168.2 | 84.6 | 0 | 0 | 0 | 108.6 | T29 T31 | T29-L42 HydrophobicContact CG2-CD1 4.44Å; T29-L42 HydrophobicContact CG2-CD2 3.99Å; T29-L42 HydrophobicContact CG2-CG 4.13Å; T31-L42 WeakPolarHBondContact OG1-CD1 3.47Å |
| 43 | Y | 86.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 152.3 | 177.8 | -61.3 | -79.3 | 0 | 0 | 0 | 111.3 | S11 E14 T29 V30 L32 F34 R41 P49 V50 | S11-Y43 PolarHBondContact OG-OH 3.41Å; E14-Y43 PolarHBondContact OE2-OH 3.12Å; T29-Y43 CarbonylContact C-O 3.52Å; T29-Y43 WeakPolarHBondContact CA-O 3.26Å; V30-Y43 PolarHBondContact N-O 3.12Å; V30-Y43 PolarHBondContact O-N 2.93Å; L32-Y43 HydrophobicContact CB-CD2 4.48Å; L32-Y43 HydrophobicContact CB-CE2 4.28Å; L32-Y43 HydrophobicContact CD1-CD2 3.79Å; L32-Y43 HydrophobicContact CD1-CE2 3.7Å; L32-Y43 HydrophobicContact CG-CD2 4.2Å; L32-Y43 HydrophobicContact CG-CE2 4.31Å; F34-Y43 HydrophobicContact CE2-CE2 4.28Å; F34-Y43 HydrophobicContact CZ-CE2 4.46Å; R41-Y43 HydrophobicContact CB-CD2 4.12Å; R41-Y43 HydrophobicContact CB-CE2 3.34Å; R41-Y43 HydrophobicContact CG-CE2 4.27Å; Y43-P49 HydrophobicContact CD1-CG 4.14Å; Y43-P49 HydrophobicContact CE1-CG 4.06Å; Y43-V50 HydrophobicContact CD1-CG1 4.23Å; Y43-V50 HydrophobicContact CD2-CG1 3.86Å; Y43-V50 HydrophobicContact CE1-CG1 4.11Å; Y43-V50 HydrophobicContact CE2-CG1 3.71Å; Y43-V50 HydrophobicContact CG-CG1 4.11Å |
| 44 | A | 82.6 | Confident | 79.1 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S46 S48 | A44-S46 VanDerWaalsContact C-N 3.28Å; A44-S46 WeakPolarHBondContact CB-O 3.35Å; A44-S46 PolarHBondContact O-N 3.31Å; A44-S48 WeakPolarHBondContact O-CB 3.39Å; A44-S48 PolarHBondContact O-OG 3.14Å |
| 45 | R | 79.7 | Confident | 79.1 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -69.7 | -29 | -179.7 | -170.4 | 177 | 174.6 | 170.5 | -0.7 | 112.3 | F3 D26 R28 | F3-R45 HydrophobicContact CD2-CG 3.96Å; F3-R45 HydrophobicContact CE2-CG 4.26Å; D26-R45 PolarHBondContact O-NH1 3.42Å; R28-R45 WeakPolarHBondContact O-CB 3.32Å; R28-R45 PolarHBondContact O-N 3.46Å |
| 46 | S | 75.4 | Confident | 79.1 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -94.9 | 136.2 | 168.5 | 48.5 | 0 | 0 | 0 | 0 | 109.4 | A44 S48 | A44-S46 VanDerWaalsContact C-N 3.28Å; A44-S46 WeakPolarHBondContact CB-O 3.35Å; A44-S46 PolarHBondContact O-N 3.31Å; S46-S48 VanDerWaalsContact C-N 3.28Å; S46-S48 PolarHBondContact O-N 3.08Å |
| 47 | D | 68 | Low | 79.5 | Confident | 165 Ų | 165 | 57.5 Ų | 57.5 | 88% | 0.882 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 59.2 | 27.6 | 171.2 | -54.1 | -40.6 | 0 | 0 | 0 | 116.3 | ||
| 48 | S | 74.8 | Confident | 79.5 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 33% | 0.325 | C | S | . | . | trans | -70 | 141.6 | 174.4 | 32.8 | 0 | 0 | 0 | 0 | 113.2 | F3 A44 S46 V50 | F3-S48 WeakPolarHBondContact CZ-OG 3.48Å; A44-S48 WeakPolarHBondContact O-CB 3.39Å; A44-S48 PolarHBondContact O-OG 3.14Å; S46-S48 VanDerWaalsContact C-N 3.28Å; S46-S48 PolarHBondContact O-N 3.08Å; S48-V50 PolarHBondContact O-N 3.44Å | ||
| 49 | P | 74 | Confident | 79.4 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -79.2 | 51.7 | 179.7 | 36 | -37.9 | 0 | 0 | 0 | 111.2 | D12 T13 Y43 | D12-P49 WeakPolarHBondContact CB-O 2.91Å; D12-P49 PolarHBondContact N-O 3.06Å; T13-P49 HydrophobicContact CG2-CB 4.3Å; Y43-P49 HydrophobicContact CD1-CG 4.14Å; Y43-P49 HydrophobicContact CE1-CG 4.06Å |
| 50 | V | 82.1 | Confident | 79.5 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.2 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | F3 W9 I10 D12 L32 Y43 S48 R870 | F3-V50 HydrophobicContact CE1-CG2 3.99Å; F3-V50 HydrophobicContact CZ-CG2 3.93Å; W9-V50 HydrophobicContact CD2-CG2 4.41Å; W9-V50 HydrophobicContact CE3-CB 3.91Å; W9-V50 HydrophobicContact CE3-CG2 3.53Å; W9-V50 HydrophobicContact CZ3-CG2 3.91Å; W9-V50 WeakPolarHBondContact CZ3-O 3.49Å; I10-V50 CarbonylContact O-C 3.56Å; I10-V50 WeakPolarHBondContact O-CA 3.02Å; I10-V50 WeakPolarHBondContact O-CB 3.33Å; D12-V50 PolarHBondContact OD2-N 2.98Å; L32-V50 HydrophobicContact CD1-CB 4.16Å; L32-V50 HydrophobicContact CD1-CG1 3.67Å; L32-V50 HydrophobicContact CD1-CG2 4.41Å; Y43-V50 HydrophobicContact CD1-CG1 4.23Å; Y43-V50 HydrophobicContact CD2-CG1 3.86Å; Y43-V50 HydrophobicContact CE1-CG1 4.11Å; Y43-V50 HydrophobicContact CE2-CG1 3.71Å; Y43-V50 HydrophobicContact CG-CG1 4.11Å; S48-V50 PolarHBondContact O-N 3.44Å; V50-R870 PolarHBondContact O-NH1 3.29Å; V50-R870 VanDerWaalsContact O-NH1 3.13Å |
| 51 | T | 78.5 | Confident | 79.3 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.1 | 172.6 | -46.8 | 0 | 0 | 0 | 0 | 110.7 | W9 I10 D12 V53 A117 Q119 R870 | W9-T51 CarbonylContact C-O 3.58Å; W9-T51 WeakPolarHBondContact CA-O 3.3Å; I10-T51 PolarHBondContact N-O 3.35Å; I10-T51 PolarHBondContact O-N 2.85Å; D12-T51 PolarHBondContact OD1-N 2.9Å; D12-T51 PolarHBondContact OD1-OG1 3.38Å; T51-V53 PolarHBondContact O-N 2.97Å; T51-A117 WeakPolarHBondContact CG2-O 3.36Å; T51-Q119 HydrophobicContact CG2-CG 4.4Å; T51-Q119 VanDerWaalsContact OG1-CG 3.27Å; T51-Q119 WeakPolarHBondContact OG1-CG 3.5Å; T51-R870 PolarHBondContact OG1-NH2 3.25Å |
| 52 | R | 85.1 | Confident | 79.4 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 6% | 0.06 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 123.2 | 164.8 | -171.7 | -175.2 | -180 | -178.6 | 5.4 | 108.6 | W9 M54 E76 G79 E99 | W9-R52 HydrophobicContact CD2-CB 3.79Å; W9-R52 HydrophobicContact CD2-CG 4.42Å; W9-R52 HydrophobicContact CE3-CB 4Å; W9-R52 HydrophobicContact CG-CB 4.43Å; W9-R52 HydrophobicContact CH2-CB 3.96Å; W9-R52 HydrophobicContact CZ2-CB 3.74Å; W9-R52 HydrophobicContact CZ2-CG 4.3Å; W9-R52 HydrophobicContact CZ3-CB 4.08Å; R52-M54 HydrophobicContact CG-CG 4.23Å; R52-M54 PolarHBondContact O-N 3Å; R52-E76 IonicContact NH1-OE1 3.41Å; R52-G79 PolarHBondContact NH2-O 3.01Å; R52-E99 IonicContact CZ-OE1 3.34Å; R52-E99 IonicContact CZ-OE2 3.97Å; R52-E99 IonicContact NE-OE1 2.78Å; R52-E99 PolarHBondContact NE-OE1 3.15Å; R52-E99 VanDerWaalsContact NE-OE1 3.08Å; R52-E99 IonicContact NE-OE2 3.56Å; R52-E99 IonicContact NH2-OE1 3.61Å; R52-E99 IonicContact NH2-OE2 3.71Å; R52-E99 PolarHBondContact NH2-OE2 2.78Å |
| 53 | V | 80.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | trans | -78.8 | 122.4 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 109 | R8 I10 L19 T51 F55 F108 | R8-V53 PolarHBondContact O-N 3.25Å; I10-V53 HydrophobicContact CB-CG2 4.11Å; I10-V53 HydrophobicContact CG2-CG2 3.85Å; L19-V53 HydrophobicContact CD1-CB 3.79Å; L19-V53 HydrophobicContact CD1-CG1 4.47Å; L19-V53 HydrophobicContact CD1-CG2 3.42Å; L19-V53 VanDerWaalsContact CD1-CG2 3.42Å; T51-V53 PolarHBondContact O-N 2.97Å; V53-F55 HydrophobicContact CG1-CD2 4.29Å; V53-F55 HydrophobicContact CG1-CE2 3.63Å; V53-F55 HydrophobicContact CG1-CZ 3.77Å; V53-F108 HydrophobicContact CG1-CE2 3.81Å; V53-F108 HydrophobicContact CG1-CZ 3.61Å; V53-F108 HydrophobicContact CG2-CE2 3.83Å; V53-F108 HydrophobicContact CG2-CZ 4.47Å | ||
| 54 | M | 81.1 | Confident | 79.2 | Confident | 67 Ų | 67 | 46.3 Ų | 46.3 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | trans | -130.9 | 130.3 | 178.6 | -61.5 | -176.9 | 43.8 | 0 | 0 | 108.7 | M1 R52 L81 | M1-M54 HydrophobicContact CE-SD 4Å; M1-M54 HydrophobicContact SD-SD 4.48Å; R52-M54 HydrophobicContact CG-CG 4.23Å; R52-M54 PolarHBondContact O-N 3Å; M54-L81 HydrophobicContact CB-CD1 4.11Å; M54-L81 HydrophobicContact CE-CD1 3.99Å; M54-L81 HydrophobicContact CG-CD1 3.67Å; M54-L81 HydrophobicContact SD-CD1 4.27Å | ||
| 55 | F | 82.2 | Confident | 79.1 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | trans | -102.2 | 149.6 | 175.2 | -60.9 | -83.6 | 0 | 0 | 0 | 111 | V53 D59 I61 V71 Y83 L102 L106 F108 | V53-F55 HydrophobicContact CG1-CD2 4.29Å; V53-F55 HydrophobicContact CG1-CE2 3.63Å; V53-F55 HydrophobicContact CG1-CZ 3.77Å; F55-D59 WeakPolarHBondContact CA-OD2 3.39Å; F55-D59 HydrophobicContact CB-CB 4.15Å; F55-D59 HydrophobicContact CD1-CB 4.12Å; F55-I61 HydrophobicContact CB-CG2 3.66Å; F55-I61 HydrophobicContact CD1-CG2 3.42Å; F55-I61 VanDerWaalsContact CD1-CG2 3.42Å; F55-I61 HydrophobicContact CD2-CB 4.42Å; F55-I61 HydrophobicContact CD2-CG2 3.42Å; F55-I61 VanDerWaalsContact CD2-CG2 3.42Å; F55-I61 HydrophobicContact CE1-CG2 3.79Å; F55-I61 HydrophobicContact CE2-CB 4.47Å; F55-I61 HydrophobicContact CE2-CG2 3.79Å; F55-I61 HydrophobicContact CG-CG2 3.2Å; F55-I61 HydrophobicContact CZ-CG2 3.95Å; F55-V71 HydrophobicContact CB-CG2 4.47Å; F55-Y83 HydrophobicContact CB-CD1 4.12Å; F55-Y83 HydrophobicContact CB-CE1 3.61Å; F55-Y83 HydrophobicContact CD2-CE1 4.19Å; F55-Y83 HydrophobicContact CD2-CE2 4.23Å; F55-Y83 AromaticContact CD2-CZ 3.8Å; F55-Y83 HydrophobicContact CG-CE1 4.42Å; F55-Y83 PolarHBondContact N-OH 2.93Å; F55-Y83 WeakPolarHBondContact O-CE1 3.5Å; F55-L102 HydrophobicContact CD2-CD1 4.31Å; F55-L102 HydrophobicContact CD2-CD2 4.23Å; F55-L102 HydrophobicContact CE2-CD1 3.87Å; F55-L102 HydrophobicContact CE2-CD2 3.8Å; F55-L102 HydrophobicContact CE2-CG 4.48Å; F55-L106 HydrophobicContact CE2-CD1 4.39Å; F55-L106 HydrophobicContact CZ-CD1 4.03Å; F55-L106 HydrophobicContact CZ-CD2 4.39Å; F55-F108 HydrophobicContact CE1-CE1 4.07Å; F55-F108 AromaticContact CE1-CZ 3.98Å; F55-F108 HydrophobicContact CE1-CZ 3.98Å; F55-F108 HydrophobicContact CZ-CE1 4.35Å; F55-F108 AromaticContact CZ-CZ 3.81Å; F55-F108 HydrophobicContact CZ-CZ 3.81Å | ||
| 56 | N | 78.4 | Confident | 79.1 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | trans | -105 | 159 | 179.5 | -66.5 | -38.7 | 0 | 0 | 0 | 111 | G58 D59 N878 Q881 | N56-G58 PolarHBondContact O-N 3.01Å; N56-D59 PolarHBondContact N-OD2 2.79Å; N56-D59 WeakPolarHBondContact O-CB 3.21Å; N56-D59 PolarHBondContact O-N 3Å; N56-N878 PolarHBondContact ND2-OD1 3.4Å; N56-Q881 PolarHBondContact ND2-OE1 2.79Å; N56-Q881 VanDerWaalsContact ND2-OE1 3.15Å | ||
| 57 | P | 77.1 | Confident | 79.5 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 125.5 | 167 | -27.3 | 36.9 | 0 | 0 | 0 | 111.8 | V71 E72 V74 | P57-V71 CarbonylContact C-O 3.4Å; P57-V71 WeakPolarHBondContact CA-O 3.44Å; P57-E72 WeakPolarHBondContact CB-O 3.47Å; P57-V74 HydrophobicContact CG-CG2 4.38Å |
| 58 | G | 71 | Confident | 80.4 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 109 | -25.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N56 V71 | N56-G58 PolarHBondContact O-N 3.01Å; G58-V71 PolarHBondContact N-O 3.46Å |
| 59 | D | 75.1 | Confident | 81 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.214 | 23% | 0.234 | C | C | . | . | trans | -69.9 | 151.8 | -179.4 | -67.6 | -20.4 | 0 | 0 | 0 | 111.6 | F55 N56 Q70 V71 | F55-D59 WeakPolarHBondContact CA-OD2 3.39Å; F55-D59 HydrophobicContact CB-CB 4.15Å; F55-D59 HydrophobicContact CD1-CB 4.12Å; N56-D59 PolarHBondContact N-OD2 2.79Å; N56-D59 WeakPolarHBondContact O-CB 3.21Å; N56-D59 PolarHBondContact O-N 3Å; D59-Q70 CarbonylContact O-C 3.52Å; D59-Q70 WeakPolarHBondContact O-CA 3.43Å; D59-V71 PolarHBondContact O-N 2.78Å | ||
| 60 | T | 79.6 | Confident | 81.7 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.6 | 169.9 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | Q68 M69 L88 | T60-Q68 HydrophobicContact CG2-CB 4.07Å; T60-Q68 HydrophobicContact CG2-CG 4.5Å; T60-M69 CarbonylContact C-O 3.55Å; T60-M69 WeakPolarHBondContact CA-O 3.41Å; T60-L88 HydrophobicContact CG2-CD1 3.63Å |
| 61 | I | 83.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.1 | -179.2 | 65.8 | 178.3 | 0 | 0 | 0 | 111.5 | F55 Q68 M69 V71 Y83 L97 L102 | F55-I61 HydrophobicContact CB-CG2 3.66Å; F55-I61 HydrophobicContact CD1-CG2 3.42Å; F55-I61 VanDerWaalsContact CD1-CG2 3.42Å; F55-I61 HydrophobicContact CD2-CB 4.42Å; F55-I61 HydrophobicContact CD2-CG2 3.42Å; F55-I61 VanDerWaalsContact CD2-CG2 3.42Å; F55-I61 HydrophobicContact CE1-CG2 3.79Å; F55-I61 HydrophobicContact CE2-CB 4.47Å; F55-I61 HydrophobicContact CE2-CG2 3.79Å; F55-I61 HydrophobicContact CG-CG2 3.2Å; F55-I61 HydrophobicContact CZ-CG2 3.95Å; I61-Q68 CarbonylContact O-C 3.49Å; I61-Q68 VanDerWaalsContact O-CA 3.27Å; I61-Q68 WeakPolarHBondContact O-CA 3.32Å; I61-M69 HydrophobicContact CD1-CE 3.67Å; I61-M69 HydrophobicContact CG1-CB 4.46Å; I61-M69 HydrophobicContact CG1-CE 4.06Å; I61-M69 PolarHBondContact N-O 3.13Å; I61-M69 PolarHBondContact O-N 2.82Å; I61-V71 HydrophobicContact CD1-CG2 3.73Å; I61-V71 HydrophobicContact CG1-CG2 3.93Å; I61-V71 HydrophobicContact CG2-CG2 3.81Å; I61-Y83 VanDerWaalsContact CD1-CB 3.4Å; I61-Y83 HydrophobicContact CD1-CD1 4.23Å; I61-Y83 HydrophobicContact CD1-CD2 3.59Å; I61-Y83 HydrophobicContact CD1-CE2 4.44Å; I61-Y83 HydrophobicContact CD1-CG 3.46Å; I61-Y83 VanDerWaalsContact CD1-CG 3.46Å; I61-L97 HydrophobicContact CD1-CB 4.39Å; I61-L97 HydrophobicContact CD1-CD2 3.71Å; I61-L97 HydrophobicContact CD1-CG 4.47Å; I61-L97 HydrophobicContact CG1-CD2 3.98Å; I61-L102 HydrophobicContact CB-CD2 4.21Å; I61-L102 HydrophobicContact CD1-CD2 4.13Å |
| 62 | T | 85 | Confident | 82.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.8 | 178.4 | -48.6 | 0 | 0 | 0 | 0 | 109.7 | W67 Q68 D103 | T62-W67 WeakPolarHBondContact CA-O 3.46Å; T62-Q68 HydrophobicContact CG2-CG 4.28Å; T62-D103 HydrophobicContact CG2-CB 4.12Å; T62-D103 PolarHBondContact O-N 3.03Å |
| 63 | S | 87.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 153.8 | 169.6 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | D65 G66 W67 F101 | S63-D65 PolarHBondContact O-N 3.08Å; S63-D65 PolarHBondContact OG-N 2.77Å; S63-G66 WeakPolarHBondContact O-CA 3.45Å; S63-G66 PolarHBondContact O-N 3.43Å; S63-W67 PolarHBondContact N-O 3.22Å; S63-F101 CarbonylContact C-O 3.58Å; S63-F101 WeakPolarHBondContact CA-O 3.24Å |
| 64 | H | 82.4 | Confident | 82.8 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23.2 | 168.6 | 75.5 | -56.8 | 0 | 0 | 0 | 113.9 | G66 F101 | H64-G66 PolarHBondContact O-N 2.83Å; H64-F101 WeakPolarHBondContact CB-O 3.45Å; H64-F101 AromaticContact CE1-CD1 3.55Å; H64-F101 PolarHBondContact N-O 3.12Å; H64-F101 AromaticContact ND1-CD1 3.9Å; H64-F101 PolarHBondContact ND1-O 3.26Å; H64-F101 AromaticContact NE2-CD1 3.89Å |
| 65 | D | 81.4 | Confident | 83.2 | Confident | 112 Ų | 112 | 52.6 Ų | 52.6 | 60% | 0.599 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.1 | 173.3 | -67.2 | -47.7 | 0 | 0 | 0 | 113.3 | S63 | S63-D65 PolarHBondContact O-N 3.08Å; S63-D65 PolarHBondContact OG-N 2.77Å |
| 66 | G | 79.4 | Confident | 83.6 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 55% | 0.546 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 92 | -11.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S63 H64 | S63-G66 WeakPolarHBondContact O-CA 3.45Å; S63-G66 PolarHBondContact O-N 3.43Å; H64-G66 PolarHBondContact O-N 2.83Å |
| 67 | W | 84.3 | Confident | 83.9 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | trans | -78.9 | 154.4 | 176.2 | 56.7 | -97.4 | 0 | 0 | 0 | 112.2 | T62 S63 M69 R87 V95 L97 | T62-W67 WeakPolarHBondContact CA-O 3.46Å; S63-W67 PolarHBondContact N-O 3.22Å; W67-M69 HydrophobicContact CE3-CB 4.28Å; W67-M69 HydrophobicContact CZ3-CB 3.77Å; W67-M69 HydrophobicContact CZ3-SD 4.43Å; W67-R87 HydrophobicContact CD2-CG 4.24Å; W67-R87 HydrophobicContact CE3-CG 3.69Å; W67-R87 HydrophobicContact CZ3-CG 4.22Å; W67-V95 HydrophobicContact CH2-CG1 3.86Å; W67-V95 HydrophobicContact CZ3-CG1 4.22Å; W67-L97 HydrophobicContact CH2-CB 3.94Å; W67-L97 HydrophobicContact CH2-CD1 3.77Å; W67-L97 HydrophobicContact CH2-CD2 4.1Å; W67-L97 HydrophobicContact CH2-CG 4.15Å; W67-L97 HydrophobicContact CZ2-CD1 3.91Å; W67-L97 HydrophobicContact CZ3-CD2 4.27Å | ||
| 68 | Q | 86.1 | Confident | 84.3 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.2 | -177.8 | -66.9 | -176.5 | -27.4 | 0 | 0 | 112.1 | T60 I61 T62 R87 L88 | T60-Q68 HydrophobicContact CG2-CB 4.07Å; T60-Q68 HydrophobicContact CG2-CG 4.5Å; I61-Q68 CarbonylContact O-C 3.49Å; I61-Q68 VanDerWaalsContact O-CA 3.27Å; I61-Q68 WeakPolarHBondContact O-CA 3.32Å; T62-Q68 HydrophobicContact CG2-CG 4.28Å; Q68-R87 WeakPolarHBondContact O-CA 3.46Å; Q68-R87 WeakPolarHBondContact O-CG 3.19Å; Q68-L88 HydrophobicContact CB-CB 4.46Å; Q68-L88 HydrophobicContact CB-CD1 3.97Å; Q68-L88 HydrophobicContact CB-CG 4.43Å; Q68-L88 PolarHBondContact O-N 3.41Å |
| 69 | M | 88.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.7 | 176.8 | 173.3 | -178.4 | 79.4 | 0 | 0 | 110.4 | T60 I61 W67 G85 T86 V95 L97 | T60-M69 CarbonylContact C-O 3.55Å; T60-M69 WeakPolarHBondContact CA-O 3.41Å; I61-M69 HydrophobicContact CD1-CE 3.67Å; I61-M69 HydrophobicContact CG1-CB 4.46Å; I61-M69 HydrophobicContact CG1-CE 4.06Å; I61-M69 PolarHBondContact N-O 3.13Å; I61-M69 PolarHBondContact O-N 2.82Å; W67-M69 HydrophobicContact CE3-CB 4.28Å; W67-M69 HydrophobicContact CZ3-CB 3.77Å; W67-M69 HydrophobicContact CZ3-SD 4.43Å; M69-G85 PolarHBondContact SD-N 2.89Å; M69-T86 CarbonylContact C-O 3.59Å; M69-T86 WeakPolarHBondContact CA-O 3.35Å; M69-T86 WeakPolarHBondContact CG-O 3.27Å; M69-V95 HydrophobicContact SD-CB 4.05Å; M69-V95 HydrophobicContact SD-CG1 4.19Å; M69-L97 HydrophobicContact CE-CB 3.87Å |
| 70 | Q | 86.9 | Confident | 85.4 | Confident | 90 Ų | 90 | 65 Ų | 65 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 121.5 | 166.8 | -172.8 | 173.8 | 17.6 | 0 | 0 | 109.1 | D59 G85 T86 L88 | D59-Q70 CarbonylContact O-C 3.52Å; D59-Q70 WeakPolarHBondContact O-CA 3.43Å; Q70-G85 CarbonylContact O-C 3.48Å; Q70-G85 VanDerWaalsContact O-CA 3.23Å; Q70-G85 WeakPolarHBondContact O-CA 3.48Å; Q70-T86 PolarHBondContact N-O 2.88Å; Q70-T86 PolarHBondContact O-N 2.89Å; Q70-L88 HydrophobicContact CB-CD2 4.2Å |
| 71 | V | 85.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 130.9 | -178.6 | -175 | 0 | 0 | 0 | 0 | 110.1 | F55 P57 G58 D59 I61 V74 Y83 | F55-V71 HydrophobicContact CB-CG2 4.47Å; P57-V71 CarbonylContact C-O 3.4Å; P57-V71 WeakPolarHBondContact CA-O 3.44Å; G58-V71 PolarHBondContact N-O 3.46Å; D59-V71 PolarHBondContact O-N 2.78Å; I61-V71 HydrophobicContact CD1-CG2 3.73Å; I61-V71 HydrophobicContact CG1-CG2 3.93Å; I61-V71 HydrophobicContact CG2-CG2 3.81Å; V71-V74 HydrophobicContact CG1-CG2 3.73Å; V71-Y83 HydrophobicContact CG1-CD1 4.08Å; V71-Y83 HydrophobicContact CG2-CD1 4.21Å; V71-Y83 HydrophobicContact CG2-CG 4.47Å |
| 72 | E | 86.6 | Confident | 86.4 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -35.6 | 174.9 | -65.7 | 173.4 | -177.4 | 0 | 0 | 111.6 | P57 I84 T86 | P57-E72 WeakPolarHBondContact CB-O 3.47Å; E72-I84 WeakPolarHBondContact CA-O 3.45Å; E72-I84 PolarHBondContact N-O 3.25Å; E72-T86 PolarHBondContact OE1-OG1 3.11Å |
| 73 | E | 88.7 | Confident | 86.7 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.9 | -179 | -175.3 | -173.3 | -171.7 | 0 | 0 | 110 | K75 I84 | E73-K75 HydrophobicContact CG-CG 4.49Å; E73-K75 WeakPolarHBondContact OE1-CE 3.13Å; E73-K75 IonicContact OE1-NZ 3.24Å; E73-K75 WeakPolarHBondContact OE2-CE 3.32Å; E73-K75 IonicContact OE2-NZ 3.16Å; E73-K75 PolarHBondContact OE2-NZ 2.87Å; E73-I84 HydrophobicContact CB-CB 4.25Å; E73-I84 PolarHBondContact N-O 3.17Å; E73-I84 PolarHBondContact O-N 2.82Å |
| 74 | V | 88.8 | Confident | 87 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.1 | 174.2 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | P57 V71 L81 Y83 | P57-V74 HydrophobicContact CG-CG2 4.38Å; V71-V74 HydrophobicContact CG1-CG2 3.73Å; V74-L81 HydrophobicContact CG1-CB 4.29Å; V74-L81 HydrophobicContact CG1-CD2 3.94Å; V74-L81 HydrophobicContact CG1-CG 4.48Å; V74-Y83 HydrophobicContact CG1-CD1 4.03Å; V74-Y83 HydrophobicContact CG1-CE1 3.96Å; V74-Y83 HydrophobicContact CG2-CD1 3.85Å; V74-Y83 HydrophobicContact CG2-CE1 4.19Å |
| 75 | K | 90.4 | Very high | 87.5 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.9 | 176.5 | -65.8 | -174.3 | -177.3 | 159.9 | 0 | 110.5 | E73 L81 T82 I84 | E73-K75 HydrophobicContact CG-CG 4.49Å; E73-K75 WeakPolarHBondContact OE1-CE 3.13Å; E73-K75 IonicContact OE1-NZ 3.24Å; E73-K75 WeakPolarHBondContact OE2-CE 3.32Å; E73-K75 IonicContact OE2-NZ 3.16Å; E73-K75 PolarHBondContact OE2-NZ 2.87Å; K75-L81 CarbonylContact O-C 3.51Å; K75-L81 WeakPolarHBondContact O-CA 3.44Å; K75-T82 PolarHBondContact N-O 2.82Å; K75-T82 PolarHBondContact O-N 3.16Å; K75-I84 HydrophobicContact CD-CD1 3.64Å; K75-I84 VanDerWaalsContact CE-CD1 3.49Å; K75-I84 HydrophobicContact CG-CD1 4.1Å |
| 76 | E | 89.3 | Confident | 87.9 | Confident | 126 Ų | 126 | 55 Ų | 55 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.6 | 173.4 | -170.3 | 174.5 | -174.7 | 0 | 0 | 110.2 | R52 L80 L81 | R52-E76 IonicContact NH1-OE1 3.41Å; E76-L80 WeakPolarHBondContact CA-O 3.39Å; E76-L81 HydrophobicContact CB-CD2 3.81Å; E76-L81 HydrophobicContact CG-CD2 3.97Å |
| 77 | E | 85.5 | Confident | 88.4 | Confident | 129 Ų | 129 | 55.2 Ų | 55.2 | 60% | 0.603 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.3 | 175.1 | -71.8 | -175.1 | 179.3 | 0 | 0 | 109.7 | G79 L80 | E77-G79 PolarHBondContact O-N 2.91Å; E77-L80 PolarHBondContact N-O 2.87Å; E77-L80 PolarHBondContact O-N 2.97Å |
| 78 | N | 84.3 | Confident | 88.3 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 85% | 0.845 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 29.9 | -179.2 | -60.9 | -39.9 | 0 | 0 | 0 | 114.5 | ||
| 79 | G | 82.6 | Confident | 88.1 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 7.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q7 R52 E77 | Q7-G79 PolarHBondContact NE2-O 2.93Å; R52-G79 PolarHBondContact NH2-O 3.01Å; E77-G79 PolarHBondContact O-N 2.91Å |
| 80 | L | 88.5 | Confident | 88 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.2 | 172 | -70 | 171.4 | 0 | 0 | 0 | 110.5 | G6 Q7 E76 E77 V100 | G6-L80 VanDerWaalsContact C-CD2 3.42Å; Q7-L80 HydrophobicContact CG-CD2 3.96Å; E76-L80 WeakPolarHBondContact CA-O 3.39Å; E77-L80 PolarHBondContact N-O 2.87Å; E77-L80 PolarHBondContact O-N 2.97Å; L80-V100 HydrophobicContact CD1-CG2 4.39Å; L80-V100 HydrophobicContact CD2-CG2 4.39Å |
| 81 | L | 89.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 144.9 | 177.5 | -60 | 171.3 | 0 | 0 | 0 | 111.4 | M54 V74 K75 E76 Y83 E99 | M54-L81 HydrophobicContact CB-CD1 4.11Å; M54-L81 HydrophobicContact CE-CD1 3.99Å; M54-L81 HydrophobicContact CG-CD1 3.67Å; M54-L81 HydrophobicContact SD-CD1 4.27Å; V74-L81 HydrophobicContact CG1-CB 4.29Å; V74-L81 HydrophobicContact CG1-CD2 3.94Å; V74-L81 HydrophobicContact CG1-CG 4.48Å; K75-L81 CarbonylContact O-C 3.51Å; K75-L81 WeakPolarHBondContact O-CA 3.44Å; E76-L81 HydrophobicContact CB-CD2 3.81Å; E76-L81 HydrophobicContact CG-CD2 3.97Å; L81-Y83 HydrophobicContact CB-CE2 4.33Å; L81-E99 HydrophobicContact CB-CB 4.22Å; L81-E99 PolarHBondContact N-OE2 2.89Å; L81-E99 VanDerWaalsContact O-CB 3.3Å; L81-E99 WeakPolarHBondContact O-CB 3.39Å; L81-E99 PolarHBondContact O-N 2.75Å |
| 82 | T | 92.9 | Very high | 87.9 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 117.1 | 167 | -57.7 | 0 | 0 | 0 | 0 | 107.9 | K75 A96 R98 | K75-T82 PolarHBondContact N-O 2.82Å; K75-T82 PolarHBondContact O-N 3.16Å; T82-A96 HydrophobicContact CG2-CB 3.97Å; T82-R98 HydrophobicContact CG2-CG 4.24Å |
| 83 | Y | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.4 | 176.4 | -54.5 | -77.1 | 0 | 0 | 0 | 108.6 | F55 I61 V71 V74 L81 A96 L97 E99 L102 | F55-Y83 HydrophobicContact CB-CD1 4.12Å; F55-Y83 HydrophobicContact CB-CE1 3.61Å; F55-Y83 HydrophobicContact CD2-CE1 4.19Å; F55-Y83 HydrophobicContact CD2-CE2 4.23Å; F55-Y83 AromaticContact CD2-CZ 3.8Å; F55-Y83 HydrophobicContact CG-CE1 4.42Å; F55-Y83 PolarHBondContact N-OH 2.93Å; F55-Y83 WeakPolarHBondContact O-CE1 3.5Å; I61-Y83 VanDerWaalsContact CD1-CB 3.4Å; I61-Y83 HydrophobicContact CD1-CD1 4.23Å; I61-Y83 HydrophobicContact CD1-CD2 3.59Å; I61-Y83 HydrophobicContact CD1-CE2 4.44Å; I61-Y83 HydrophobicContact CD1-CG 3.46Å; I61-Y83 VanDerWaalsContact CD1-CG 3.46Å; V71-Y83 HydrophobicContact CG1-CD1 4.08Å; V71-Y83 HydrophobicContact CG2-CD1 4.21Å; V71-Y83 HydrophobicContact CG2-CG 4.47Å; V74-Y83 HydrophobicContact CG1-CD1 4.03Å; V74-Y83 HydrophobicContact CG1-CE1 3.96Å; V74-Y83 HydrophobicContact CG2-CD1 3.85Å; V74-Y83 HydrophobicContact CG2-CE1 4.19Å; L81-Y83 HydrophobicContact CB-CE2 4.33Å; Y83-A96 CarbonylContact O-C 3.53Å; Y83-A96 WeakPolarHBondContact O-CA 3.25Å; Y83-L97 WeakPolarHBondContact CD2-O 2.89Å; Y83-L97 PolarHBondContact N-O 3.23Å; Y83-L97 PolarHBondContact O-N 2.94Å; Y83-E99 HydrophobicContact CE2-CB 4.38Å; Y83-L102 HydrophobicContact CD2-CD2 4.4Å; Y83-L102 HydrophobicContact CE2-CD1 3.96Å; Y83-L102 HydrophobicContact CE2-CD2 4.19Å; Y83-L102 HydrophobicContact CE2-CG 4.31Å |
| 84 | I | 93.7 | Very high | 88 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.6 | 177 | -59.8 | 171.4 | 0 | 0 | 0 | 107.6 | E72 E73 K75 V95 A96 | E72-I84 WeakPolarHBondContact CA-O 3.45Å; E72-I84 PolarHBondContact N-O 3.25Å; E73-I84 HydrophobicContact CB-CB 4.25Å; E73-I84 PolarHBondContact N-O 3.17Å; E73-I84 PolarHBondContact O-N 2.82Å; K75-I84 HydrophobicContact CD-CD1 3.64Å; K75-I84 VanDerWaalsContact CE-CD1 3.49Å; K75-I84 HydrophobicContact CG-CD1 4.1Å; I84-V95 CarbonylContact C-O 3.57Å; I84-V95 VanDerWaalsContact CA-O 3.26Å; I84-V95 WeakPolarHBondContact CA-O 3.35Å; I84-A96 HydrophobicContact CG1-CB 4.28Å |
| 85 | G | 92.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -158.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M69 Q70 G94 V95 | M69-G85 PolarHBondContact SD-N 2.89Å; Q70-G85 CarbonylContact O-C 3.48Å; Q70-G85 VanDerWaalsContact O-CA 3.23Å; Q70-G85 WeakPolarHBondContact O-CA 3.48Å; G85-G94 PolarHBondContact O-N 3.04Å; G85-V95 PolarHBondContact N-O 3.43Å; G85-V95 PolarHBondContact O-N 2.97Å |
| 86 | T | 90.5 | Very high | 88.1 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122 | -175.9 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | M69 Q70 E72 E92 S93 | M69-T86 CarbonylContact C-O 3.59Å; M69-T86 WeakPolarHBondContact CA-O 3.35Å; M69-T86 WeakPolarHBondContact CG-O 3.27Å; Q70-T86 PolarHBondContact N-O 2.88Å; Q70-T86 PolarHBondContact O-N 2.89Å; E72-T86 PolarHBondContact OE1-OG1 3.11Å; T86-E92 CarbonylContact C-O 3.47Å; T86-E92 WeakPolarHBondContact CA-O 3.32Å; T86-S93 WeakPolarHBondContact OG1-CB 3.35Å |
| 87 | R | 89.5 | Confident | 88.2 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 22% | 0.219 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.9 | 178.2 | -154.3 | -173.5 | 145.7 | 160.9 | -5.6 | 109.4 | W67 Q68 D89 E91 E92 V95 | W67-R87 HydrophobicContact CD2-CG 4.24Å; W67-R87 HydrophobicContact CE3-CG 3.69Å; W67-R87 HydrophobicContact CZ3-CG 4.22Å; Q68-R87 WeakPolarHBondContact O-CA 3.46Å; Q68-R87 WeakPolarHBondContact O-CG 3.19Å; R87-D89 VanDerWaalsContact CD-OD1 3.23Å; R87-D89 WeakPolarHBondContact CD-OD1 3.41Å; R87-D89 WeakPolarHBondContact CG-OD1 3.47Å; R87-D89 IonicContact CZ-OD1 2.68Å; R87-D89 IonicContact CZ-OD2 3.72Å; R87-D89 VanDerWaalsContact CZ-OD2 3.29Å; R87-D89 VanDerWaalsContact NE-CG 3.3Å; R87-D89 IonicContact NE-OD1 2.69Å; R87-D89 PolarHBondContact NE-OD1 2.66Å; R87-D89 IonicContact NE-OD2 2.78Å; R87-D89 PolarHBondContact NE-OD2 3.11Å; R87-D89 VanDerWaalsContact NE-OD2 3.1Å; R87-D89 IonicContact NH2-OD1 2.86Å; R87-D89 IonicContact NH2-OD2 3.87Å; R87-D89 PolarHBondContact NH2-OD2 3.06Å; R87-D89 PolarHBondContact O-N 3.2Å; R87-E91 WeakPolarHBondContact O-CA 3.44Å; R87-E91 PolarHBondContact O-N 3.02Å; R87-E92 PolarHBondContact N-O 3.33Å; R87-V95 HydrophobicContact CB-CG2 4.16Å |
| 88 | L | 82.1 | Confident | 88.5 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.4 | -167.6 | -66.9 | -177.5 | 0 | 0 | 0 | 114.6 | T60 Q68 Q70 | T60-L88 HydrophobicContact CG2-CD1 3.63Å; Q68-L88 HydrophobicContact CB-CB 4.46Å; Q68-L88 HydrophobicContact CB-CD1 3.97Å; Q68-L88 HydrophobicContact CB-CG 4.43Å; Q68-L88 PolarHBondContact O-N 3.41Å; Q70-L88 HydrophobicContact CB-CD2 4.2Å |
| 89 | D | 82.8 | Confident | 88.7 | Confident | 92 Ų | 92 | 53.3 Ų | 53.3 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -33.4 | -179.6 | 58.7 | -16 | 0 | 0 | 0 | 113 | R87 | R87-D89 VanDerWaalsContact CD-OD1 3.23Å; R87-D89 WeakPolarHBondContact CD-OD1 3.41Å; R87-D89 WeakPolarHBondContact CG-OD1 3.47Å; R87-D89 IonicContact CZ-OD1 2.68Å; R87-D89 IonicContact CZ-OD2 3.72Å; R87-D89 VanDerWaalsContact CZ-OD2 3.29Å; R87-D89 VanDerWaalsContact NE-CG 3.3Å; R87-D89 IonicContact NE-OD1 2.69Å; R87-D89 PolarHBondContact NE-OD1 2.66Å; R87-D89 IonicContact NE-OD2 2.78Å; R87-D89 PolarHBondContact NE-OD2 3.11Å; R87-D89 VanDerWaalsContact NE-OD2 3.1Å; R87-D89 IonicContact NH2-OD1 2.86Å; R87-D89 IonicContact NH2-OD2 3.87Å; R87-D89 PolarHBondContact NH2-OD2 3.06Å; R87-D89 PolarHBondContact O-N 3.2Å |
| 90 | T | 84.9 | Confident | 88.9 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 45% | 0.454 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -9 | -180 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | E92 | T90-E92 PolarHBondContact O-N 3.28Å; T90-E92 VanDerWaalsContact O-N 3.09Å; T90-E92 VanDerWaalsContact OG1-CB 3.24Å; T90-E92 WeakPolarHBondContact OG1-CB 3.32Å; T90-E92 PolarHBondContact OG1-N 2.98Å |
| 91 | E | 85 | Confident | 88.9 | Confident | 166 Ų | 166 | 57.5 Ų | 57.5 | 78% | 0.776 | 31% | 0.313 | S | S | * | . | trans | 54.2 | 19.7 | -168.8 | -58.7 | -175.1 | 171.8 | 0 | 0 | 113.3 | R87 S93 | R87-E91 WeakPolarHBondContact O-CA 3.44Å; R87-E91 PolarHBondContact O-N 3.02Å; E91-S93 PolarHBondContact O-N 3.46Å | ||
| 92 | E | 85.9 | Confident | 88.8 | Confident | 112 Ų | 112 | 57.2 Ų | 57.2 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | trans | -72.8 | 117.2 | 178.5 | -172.1 | -179 | -178 | 0 | 0 | 109.5 | T86 R87 T90 V95 | T86-E92 CarbonylContact C-O 3.47Å; T86-E92 WeakPolarHBondContact CA-O 3.32Å; R87-E92 PolarHBondContact N-O 3.33Å; T90-E92 PolarHBondContact O-N 3.28Å; T90-E92 VanDerWaalsContact O-N 3.09Å; T90-E92 VanDerWaalsContact OG1-CB 3.24Å; T90-E92 WeakPolarHBondContact OG1-CB 3.32Å; T90-E92 PolarHBondContact OG1-N 2.98Å; E92-V95 HydrophobicContact CB-CG2 3.95Å; E92-V95 HydrophobicContact CG-CG2 3.71Å; E92-V95 WeakPolarHBondContact O-CG2 3.41Å | ||
| 93 | S | 89 | Confident | 88.2 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 151.7 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | T86 E91 V95 | T86-S93 WeakPolarHBondContact OG1-CB 3.35Å; E91-S93 PolarHBondContact O-N 3.46Å; S93-V95 VanDerWaalsContact C-N 3.34Å |
| 94 | G | 87.1 | Confident | 87.5 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 15 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G85 | G85-G94 PolarHBondContact O-N 3.04Š|
| 95 | V | 91.2 | Very high | 86.2 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.9 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | W67 M69 I84 G85 R87 E92 S93 | W67-V95 HydrophobicContact CH2-CG1 3.86Å; W67-V95 HydrophobicContact CZ3-CG1 4.22Å; M69-V95 HydrophobicContact SD-CB 4.05Å; M69-V95 HydrophobicContact SD-CG1 4.19Å; I84-V95 CarbonylContact C-O 3.57Å; I84-V95 VanDerWaalsContact CA-O 3.26Å; I84-V95 WeakPolarHBondContact CA-O 3.35Å; G85-V95 PolarHBondContact N-O 3.43Å; G85-V95 PolarHBondContact O-N 2.97Å; R87-V95 HydrophobicContact CB-CG2 4.16Å; E92-V95 HydrophobicContact CB-CG2 3.95Å; E92-V95 HydrophobicContact CG-CG2 3.71Å; E92-V95 WeakPolarHBondContact O-CG2 3.41Å; S93-V95 VanDerWaalsContact C-N 3.34Å |
| 96 | A | 92 | Very high | 85 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | T82 Y83 I84 | T82-A96 HydrophobicContact CG2-CB 3.97Å; Y83-A96 CarbonylContact O-C 3.53Å; Y83-A96 WeakPolarHBondContact O-CA 3.25Å; I84-A96 HydrophobicContact CG1-CB 4.28Å |
| 97 | L | 91 | Very high | 83.3 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 112.8 | 173.3 | -173.6 | 58.9 | 0 | 0 | 0 | 110 | I61 W67 M69 Y83 F101 L102 | I61-L97 HydrophobicContact CD1-CB 4.39Å; I61-L97 HydrophobicContact CD1-CD2 3.71Å; I61-L97 HydrophobicContact CD1-CG 4.47Å; I61-L97 HydrophobicContact CG1-CD2 3.98Å; W67-L97 HydrophobicContact CH2-CB 3.94Å; W67-L97 HydrophobicContact CH2-CD1 3.77Å; W67-L97 HydrophobicContact CH2-CD2 4.1Å; W67-L97 HydrophobicContact CH2-CG 4.15Å; W67-L97 HydrophobicContact CZ2-CD1 3.91Å; W67-L97 HydrophobicContact CZ3-CD2 4.27Å; M69-L97 HydrophobicContact CE-CB 3.87Å; Y83-L97 WeakPolarHBondContact CD2-O 2.89Å; Y83-L97 PolarHBondContact N-O 3.23Å; Y83-L97 PolarHBondContact O-N 2.94Å; L97-F101 HydrophobicContact CD1-CB 3.68Å; L97-L102 HydrophobicContact CD2-CD2 4.13Å |
| 98 | R | 90.7 | Very high | 81.9 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 144.4 | 173.2 | -60.4 | -178 | 174 | 175.4 | -2.5 | 110.1 | T82 V100 F101 | T82-R98 HydrophobicContact CG2-CG 4.24Å; R98-V100 PolarHBondContact O-N 2.92Å; R98-V100 VanDerWaalsContact O-N 3.11Å; R98-F101 HydrophobicContact CB-CD2 3.92Å; R98-F101 HydrophobicContact CB-CE2 4.4Å; R98-F101 WeakPolarHBondContact O-CB 3.44Å; R98-F101 PolarHBondContact O-N 3.24Å |
| 99 | E | 90 | Very high | 80.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -48.7 | -41.3 | 179.6 | -168.5 | -173.7 | 161.9 | 0 | 0 | 112.3 | Q7 R8 R52 L81 Y83 F101 L102 | Q7-E99 WeakPolarHBondContact CA-OE1 3.17Å; R8-E99 HydrophobicContact CB-CG 3.98Å; R8-E99 HydrophobicContact CG-CG 3.78Å; R8-E99 WeakPolarHBondContact CG-O 3.44Å; R8-E99 PolarHBondContact N-OE1 3Å; R52-E99 IonicContact CZ-OE1 3.34Å; R52-E99 IonicContact CZ-OE2 3.97Å; R52-E99 IonicContact NE-OE1 2.78Å; R52-E99 PolarHBondContact NE-OE1 3.15Å; R52-E99 VanDerWaalsContact NE-OE1 3.08Å; R52-E99 IonicContact NE-OE2 3.56Å; R52-E99 IonicContact NH2-OE1 3.61Å; R52-E99 IonicContact NH2-OE2 3.71Å; R52-E99 PolarHBondContact NH2-OE2 2.78Å; L81-E99 HydrophobicContact CB-CB 4.22Å; L81-E99 PolarHBondContact N-OE2 2.89Å; L81-E99 VanDerWaalsContact O-CB 3.3Å; L81-E99 WeakPolarHBondContact O-CB 3.39Å; L81-E99 PolarHBondContact O-N 2.75Å; Y83-E99 HydrophobicContact CE2-CB 4.38Å; E99-F101 PolarHBondContact O-N 2.62Å; E99-L102 HydrophobicContact CG-CD1 3.99Å; E99-L102 VanDerWaalsContact O-CB 3.31Å; E99-L102 WeakPolarHBondContact O-CB 3.19Å; E99-L102 VanDerWaalsContact O-CG 3.26Å; E99-L102 WeakPolarHBondContact O-CG 3.28Å; E99-L102 PolarHBondContact O-N 2.93Å |
| 100 | V | 86.7 | Confident | 80.2 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -54.9 | -29.4 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 113.2 | G6 L80 R98 | G6-V100 WeakPolarHBondContact O-CG2 3.45Å; L80-V100 HydrophobicContact CD1-CG2 4.39Å; L80-V100 HydrophobicContact CD2-CG2 4.39Å; R98-V100 PolarHBondContact O-N 2.92Å; R98-V100 VanDerWaalsContact O-N 3.11Å |
| 101 | F | 88.3 | Confident | 80.1 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -96.5 | 10 | -177.6 | -62.9 | -59 | 0 | 0 | 0 | 113.5 | S63 H64 L97 R98 E99 | S63-F101 CarbonylContact C-O 3.58Å; S63-F101 WeakPolarHBondContact CA-O 3.24Å; H64-F101 WeakPolarHBondContact CB-O 3.45Å; H64-F101 AromaticContact CE1-CD1 3.55Å; H64-F101 PolarHBondContact N-O 3.12Å; H64-F101 AromaticContact ND1-CD1 3.9Å; H64-F101 PolarHBondContact ND1-O 3.26Å; H64-F101 AromaticContact NE2-CD1 3.89Å; L97-F101 HydrophobicContact CD1-CB 3.68Å; R98-F101 HydrophobicContact CB-CD2 3.92Å; R98-F101 HydrophobicContact CB-CE2 4.4Å; R98-F101 WeakPolarHBondContact O-CB 3.44Å; R98-F101 PolarHBondContact O-N 3.24Å; E99-F101 PolarHBondContact O-N 2.62Å |
| 102 | L | 86.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 141.6 | 168.8 | -72.4 | 170.3 | 0 | 0 | 0 | 110.6 | R8 L19 F55 I61 Y83 L97 E99 S104 L106 | R8-L102 HydrophobicContact CB-CD1 4.42Å; R8-L102 HydrophobicContact CG-CD1 4.37Å; R8-L102 PolarHBondContact NH2-O 2.84Å; L19-L102 HydrophobicContact CD2-CB 3.73Å; L19-L102 HydrophobicContact CD2-CD1 4.17Å; F55-L102 HydrophobicContact CD2-CD1 4.31Å; F55-L102 HydrophobicContact CD2-CD2 4.23Å; F55-L102 HydrophobicContact CE2-CD1 3.87Å; F55-L102 HydrophobicContact CE2-CD2 3.8Å; F55-L102 HydrophobicContact CE2-CG 4.48Å; I61-L102 HydrophobicContact CB-CD2 4.21Å; I61-L102 HydrophobicContact CD1-CD2 4.13Å; Y83-L102 HydrophobicContact CD2-CD2 4.4Å; Y83-L102 HydrophobicContact CE2-CD1 3.96Å; Y83-L102 HydrophobicContact CE2-CD2 4.19Å; Y83-L102 HydrophobicContact CE2-CG 4.31Å; L97-L102 HydrophobicContact CD2-CD2 4.13Å; E99-L102 HydrophobicContact CG-CD1 3.99Å; E99-L102 VanDerWaalsContact O-CB 3.31Å; E99-L102 WeakPolarHBondContact O-CB 3.19Å; E99-L102 VanDerWaalsContact O-CG 3.26Å; E99-L102 WeakPolarHBondContact O-CG 3.28Å; E99-L102 PolarHBondContact O-N 2.93Å; L102-S104 PolarHBondContact O-N 2.89Å; L102-L106 HydrophobicContact CB-CD1 4.35Å |
| 103 | D | 81.6 | Confident | 79.4 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | trans | -54.1 | 131.7 | 176.6 | -171.3 | -1.7 | 0 | 0 | 0 | 111.1 | T62 K105 L106 | T62-D103 HydrophobicContact CG2-CB 4.12Å; T62-D103 PolarHBondContact O-N 3.03Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-K105 PolarHBondContact OD1-N 2.66Å; D103-L106 HydrophobicContact CB-CD1 4.41Å; D103-L106 HydrophobicContact CB-CG 4.38Å; D103-L106 WeakPolarHBondContact O-CD1 3.26Å | ||
| 104 | S | 77.2 | Confident | 79.1 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.6 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | R8 L19 P35 S36 L102 L106 | R8-S104 VanDerWaalsContact NH2-CA 3.27Å; R8-S104 PolarHBondContact NH2-OG 3.09Å; L19-S104 PolarHBondContact N-O 3.29Å; P35-S104 WeakPolarHBondContact CG-OG 3.12Å; S36-S104 VanDerWaalsContact OG-CB 3.22Å; S36-S104 WeakPolarHBondContact OG-CB 3.26Å; S36-S104 PolarHBondContact OG-O 2.95Å; L102-S104 PolarHBondContact O-N 2.89Å; S104-L106 PolarHBondContact O-N 3.31Å |
| 105 | K | 66.9 | Low | 79 | Confident | 157 Ų | 157 | 51.7 Ų | 51.7 | 68% | 0.683 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.9 | -178.7 | -60.8 | -179.6 | -179.9 | -178.5 | 0 | 113.8 | S36 D103 V107 | S36-K105 PolarHBondContact OG-N 3.38Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-K105 PolarHBondContact OD1-N 2.66Å; K105-V107 PolarHBondContact O-N 2.56Å |
| 106 | L | 65.6 | Low | 78.6 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -61.5 | 108.8 | 173.3 | -85 | 160.6 | 0 | 0 | 0 | 109.5 | L19 F55 L102 D103 S104 | L19-L106 HydrophobicContact CB-CB 4.49Å; L19-L106 HydrophobicContact CD2-CD1 4.14Å; F55-L106 HydrophobicContact CE2-CD1 4.39Å; F55-L106 HydrophobicContact CZ-CD1 4.03Å; F55-L106 HydrophobicContact CZ-CD2 4.39Å; L102-L106 HydrophobicContact CB-CD1 4.35Å; D103-L106 HydrophobicContact CB-CD1 4.41Å; D103-L106 HydrophobicContact CB-CG 4.38Å; D103-L106 WeakPolarHBondContact O-CD1 3.26Å; S104-L106 PolarHBondContact O-N 3.31Å | ||
| 107 | V | 55.5 | Low | 77.8 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | trans | -115.4 | 124.7 | 171.9 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | K105 | K105-V107 PolarHBondContact O-N 2.56Š| ||
| 108 | F | 60.8 | Low | 77.2 | Confident | 22 Ų | 22 | 49.2 Ų | 49.2 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | trans | -97 | 84.8 | 174.4 | -58 | -86.9 | 0 | 0 | 0 | 108 | I10 V53 F55 D113 R114 A117 | I10-F108 HydrophobicContact CD1-CD2 3.89Å; V53-F108 HydrophobicContact CG1-CE2 3.81Å; V53-F108 HydrophobicContact CG1-CZ 3.61Å; V53-F108 HydrophobicContact CG2-CE2 3.83Å; V53-F108 HydrophobicContact CG2-CZ 4.47Å; F55-F108 HydrophobicContact CE1-CE1 4.07Å; F55-F108 AromaticContact CE1-CZ 3.98Å; F55-F108 HydrophobicContact CE1-CZ 3.98Å; F55-F108 HydrophobicContact CZ-CE1 4.35Å; F55-F108 AromaticContact CZ-CZ 3.81Å; F55-F108 HydrophobicContact CZ-CZ 3.81Å; F108-D113 HydrophobicContact CB-CB 4.32Å; F108-D113 HydrophobicContact CD1-CB 4.11Å; F108-R114 HydrophobicContact CB-CG 4.09Å; F108-R114 WeakPolarHBondContact O-CD 3.36Å; F108-R114 WeakPolarHBondContact O-CG 3.46Å; F108-A117 HydrophobicContact CD1-CB 4.09Å; F108-A117 HydrophobicContact CD2-CB 4.42Å; F108-A117 HydrophobicContact CE1-CB 4.18Å; F108-A117 HydrophobicContact CG-CB 4.22Å; F108-A117 HydrophobicContact CZ-CB 4.39Å | ||
| 109 | S | 59.4 | Low | 76.6 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | trans | -90.2 | -25.1 | -178.3 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 110 | K | 69.9 | Low | 76.4 | Confident | 79 Ų | 79 | 43 Ų | 43 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -78.4 | 138.2 | 179.4 | -60.6 | -171.3 | 175.5 | -170.4 | 0 | 110.7 | Q112 D113 R114 | K110-Q112 VanDerWaalsContact C-N 3.28Å; K110-Q112 PolarHBondContact O-N 3.23Å; K110-D113 HydrophobicContact CB-CB 4.16Å; K110-D113 WeakPolarHBondContact O-CB 3.31Å; K110-D113 PolarHBondContact O-N 2.61Å; K110-R114 PolarHBondContact O-N 3.06Å |
| 111 | P | 82.3 | Confident | 76.4 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 41% | 0.409 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -52.7 | -40.3 | -179.6 | -29.9 | 35.7 | 0 | 0 | 0 | 114.7 | L115 S799 | P111-L115 WeakPolarHBondContact O-CB 3.25Å; P111-L115 PolarHBondContact O-N 2.98Å; P111-S799 WeakPolarHBondContact O-CB 3.4Å |
| 112 | Q | 80.7 | Confident | 76.4 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -37.1 | 177.6 | 67 | -84.2 | 28.6 | 0 | 0 | 112.6 | K110 R114 L115 F116 L888 | K110-Q112 VanDerWaalsContact C-N 3.28Å; K110-Q112 PolarHBondContact O-N 3.23Å; Q112-R114 VanDerWaalsContact C-N 3.34Å; Q112-L115 PolarHBondContact O-N 2.71Å; Q112-F116 HydrophobicContact CB-CD2 4.46Å; Q112-F116 HydrophobicContact CB-CE2 4.04Å; Q112-F116 WeakPolarHBondContact O-CD2 3.34Å; Q112-F116 WeakPolarHBondContact O-CG 3.17Å; Q112-F116 PolarHBondContact O-N 3.01Å; Q112-L888 HydrophobicContact CB-CD1 3.92Å; Q112-L888 HydrophobicContact CG-CD1 4.45Å |
| 113 | D | 75.8 | Confident | 76.6 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.8 | -42 | 178.9 | -67.5 | -14.4 | 0 | 0 | 0 | 109.1 | F108 K110 A117 | F108-D113 HydrophobicContact CB-CB 4.32Å; F108-D113 HydrophobicContact CD1-CB 4.11Å; K110-D113 HydrophobicContact CB-CB 4.16Å; K110-D113 WeakPolarHBondContact O-CB 3.31Å; K110-D113 PolarHBondContact O-N 2.61Å; D113-A117 WeakPolarHBondContact O-CB 3.4Å; D113-A117 PolarHBondContact O-N 3.07Å |
| 114 | R | 81.9 | Confident | 77 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 171.7 | -68.8 | -179.8 | 60.6 | 101.1 | -2.8 | 112.2 | F108 K110 Q112 F116 A117 G118 Q119 D121 D795 S798 | F108-R114 HydrophobicContact CB-CG 4.09Å; F108-R114 WeakPolarHBondContact O-CD 3.36Å; F108-R114 WeakPolarHBondContact O-CG 3.46Å; K110-R114 PolarHBondContact O-N 3.06Å; Q112-R114 VanDerWaalsContact C-N 3.34Å; R114-F116 PolarHBondContact O-N 2.79Å; R114-A117 CarbonylContact O-C 3.6Å; R114-A117 PolarHBondContact O-N 2.87Å; R114-G118 PolarHBondContact O-N 3.41Å; R114-G118 VanDerWaalsContact O-N 3.12Å; R114-Q119 HydrophobicContact CB-CB 4.02Å; R114-Q119 WeakPolarHBondContact O-CB 3.5Å; R114-Q119 PolarHBondContact O-N 2.78Å; R114-D121 IonicContact NH2-OD2 3.08Å; R114-D795 IonicContact CZ-OD2 2.66Å; R114-D795 IonicContact NH1-OD2 3.06Å; R114-D795 PolarHBondContact NH1-OD2 2.96Å; R114-S798 WeakPolarHBondContact CD-OG 3.21Å; R114-S798 PolarHBondContact NE-OG 3.45Å; R114-S798 VanDerWaalsContact NE-OG 3.11Å |
| 115 | L | 85 | Confident | 77.7 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.7 | -51.2 | 180 | -176.1 | 64 | 0 | 0 | 0 | 110.9 | P111 Q112 G118 V877 | P111-L115 WeakPolarHBondContact O-CB 3.25Å; P111-L115 PolarHBondContact O-N 2.98Å; Q112-L115 PolarHBondContact O-N 2.71Å; L115-G118 PolarHBondContact O-N 2.86Å; L115-V877 HydrophobicContact CD1-CG1 4.47Å; L115-V877 HydrophobicContact CD1-CG2 3.76Å; L115-V877 HydrophobicContact CG-CG1 4Å; L115-V877 HydrophobicContact CG-CG2 4.18Å; L115-V877 WeakPolarHBondContact O-CG1 3.36Å |
| 116 | F | 82.1 | Confident | 79 | Confident | 26 Ų | 26 | 43 Ų | 43 | 11% | 0.114 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.5 | -29.4 | 180 | -59.3 | -43.5 | 0 | 0 | 0 | 113 | Q112 R114 G118 V877 Q881 V884 | Q112-F116 HydrophobicContact CB-CD2 4.46Å; Q112-F116 HydrophobicContact CB-CE2 4.04Å; Q112-F116 WeakPolarHBondContact O-CD2 3.34Å; Q112-F116 WeakPolarHBondContact O-CG 3.17Å; Q112-F116 PolarHBondContact O-N 3.01Å; R114-F116 PolarHBondContact O-N 2.79Å; F116-G118 PolarHBondContact O-N 3.21Å; F116-V877 HydrophobicContact CD1-CG1 3.72Å; F116-V877 HydrophobicContact CE1-CG1 4.3Å; F116-Q881 HydrophobicContact CD1-CB 4.32Å; F116-Q881 HydrophobicContact CD1-CG 3.72Å; F116-Q881 HydrophobicContact CE1-CB 4.18Å; F116-Q881 HydrophobicContact CE1-CG 3.71Å; F116-Q881 HydrophobicContact CG-CG 4.27Å; F116-Q881 HydrophobicContact CZ-CG 4.22Å; F116-V884 HydrophobicContact CE1-CB 4.22Å; F116-V884 HydrophobicContact CE1-CG1 4.1Å; F116-V884 HydrophobicContact CZ-CB 4.17Å; F116-V884 HydrophobicContact CZ-CG1 3.81Å |
| 117 | A | 75.7 | Confident | 80.4 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T51 F108 D113 R114 | T51-A117 WeakPolarHBondContact CG2-O 3.36Å; F108-A117 HydrophobicContact CD1-CB 4.09Å; F108-A117 HydrophobicContact CD2-CB 4.42Å; F108-A117 HydrophobicContact CE1-CB 4.18Å; F108-A117 HydrophobicContact CG-CB 4.22Å; F108-A117 HydrophobicContact CZ-CB 4.39Å; D113-A117 WeakPolarHBondContact O-CB 3.4Å; D113-A117 PolarHBondContact O-N 3.07Å; R114-A117 CarbonylContact O-C 3.6Å; R114-A117 PolarHBondContact O-N 2.87Å |
| 118 | G | 77.5 | Confident | 82.3 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 14.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R114 L115 F116 I120 | R114-G118 PolarHBondContact O-N 3.41Å; R114-G118 VanDerWaalsContact O-N 3.12Å; L115-G118 PolarHBondContact O-N 2.86Å; F116-G118 PolarHBondContact O-N 3.21Å; G118-I120 PolarHBondContact O-N 2.94Å |
| 119 | Q | 78.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | trans | -78.4 | 71.3 | 171.6 | -72.1 | 177.5 | -63.5 | 0 | 0 | 110.1 | I10 T51 R114 S799 | I10-Q119 HydrophobicContact CG2-CG 4.1Å; T51-Q119 HydrophobicContact CG2-CG 4.4Å; T51-Q119 VanDerWaalsContact OG1-CG 3.27Å; T51-Q119 WeakPolarHBondContact OG1-CG 3.5Å; R114-Q119 HydrophobicContact CB-CB 4.02Å; R114-Q119 WeakPolarHBondContact O-CB 3.5Å; R114-Q119 PolarHBondContact O-N 2.78Å; Q119-S799 PolarHBondContact O-OG 3.2Å | ||
| 120 | I | 85.2 | Confident | 85.5 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | trans | -93.8 | 112.8 | -174.5 | -59.9 | 174.9 | 0 | 0 | 0 | 109.4 | G118 I801 G873 V877 | G118-I120 PolarHBondContact O-N 2.94Å; I120-I801 HydrophobicContact CD1-CG2 3.91Å; I120-I801 HydrophobicContact CG2-CB 4.44Å; I120-I801 HydrophobicContact CG2-CG2 3.75Å; I120-G873 VanDerWaalsContact CD1-C 3.44Å; I120-V877 HydrophobicContact CD1-CG2 4.03Å | ||
| 121 | D | 87.9 | Confident | 86.8 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -75.7 | 162 | 173.7 | -71.1 | -58.5 | 0 | 0 | 0 | 112.1 | R114 R125 G797 S799 T800 | R114-D121 IonicContact NH2-OD2 3.08Å; D121-R125 IonicContact OD1-NH1 3.09Å; D121-G797 WeakPolarHBondContact OD2-CA 3.38Å; D121-G797 PolarHBondContact OD2-N 2.9Å; D121-S799 WeakPolarHBondContact CB-O 3.3Å; D121-S799 PolarHBondContact N-O 3.3Å; D121-T800 WeakPolarHBondContact O-CB 3.4Å; D121-T800 PolarHBondContact O-OG1 2.84Å |
| 122 | R | 87.4 | Confident | 87.4 | Confident | 177 Ų | 177 | 33.4 Ų | 33.4 | 67% | 0.668 | 15% | 0.149 | S | C | * | . | trans | -69 | 149.6 | 169.2 | -65.3 | -174.7 | -179.9 | -163.5 | 3 | 110.7 | D124 R125 F126 | R122-D124 VanDerWaalsContact C-N 3.29Å; R122-D124 WeakPolarHBondContact CB-OD1 3.41Å; R122-D124 PolarHBondContact O-N 3.1Å; R122-R125 PolarHBondContact O-N 2.76Å; R122-F126 PolarHBondContact O-N 2.91Å | ||
| 123 | M | 91.1 | Very high | 88 | Confident | 28 Ų | 28 | 33 Ų | 33 | 14% | 0.138 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -30.9 | -176.3 | -170.5 | 68 | -154.5 | 0 | 0 | 113 | F126 A127 T800 N862 L865 | M123-F126 HydrophobicContact CE-CD1 3.6Å; M123-F126 HydrophobicContact CE-CE1 4.11Å; M123-F126 PolarHBondContact O-N 2.88Å; M123-F126 HydrophobicContact SD-CD1 4.34Å; M123-A127 WeakPolarHBondContact O-CB 3.21Å; M123-A127 PolarHBondContact O-N 2.86Å; M123-T800 HydrophobicContact SD-CG2 3.56Å; M123-T800 VanDerWaalsContact SD-CG2 3.56Å; M123-N862 VanDerWaalsContact CE-OD1 3.26Å; M123-N862 WeakPolarHBondContact CE-OD1 3.43Å; M123-N862 VanDerWaalsContact CG-OD1 3.25Å; M123-N862 WeakPolarHBondContact CG-OD1 3.5Å; M123-L865 HydrophobicContact CE-CD1 3.67Å; M123-L865 HydrophobicContact CG-CD1 4.44Å; M123-L865 HydrophobicContact SD-CD1 3.95Å |
| 124 | D | 91 | Very high | 88.9 | Confident | 68 Ų | 68 | 34.1 Ų | 34.1 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 174.8 | 51.3 | 3.6 | 0 | 0 | 0 | 112.3 | R122 A127 L128 | R122-D124 VanDerWaalsContact C-N 3.29Å; R122-D124 WeakPolarHBondContact CB-OD1 3.41Å; R122-D124 PolarHBondContact O-N 3.1Å; D124-A127 PolarHBondContact O-N 3.38Å; D124-L128 WeakPolarHBondContact O-CB 3.42Å; D124-L128 PolarHBondContact O-N 2.72Å |
| 125 | R | 91.5 | Very high | 89.4 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 23% | 0.226 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 175.6 | -66 | 173.4 | 174.5 | -163.8 | -4.3 | 112.2 | D121 R122 A127 L128 R129 I725 T796 | D121-R125 IonicContact OD1-NH1 3.09Å; R122-R125 PolarHBondContact O-N 2.76Å; R125-A127 VanDerWaalsContact C-N 3.33Å; R125-L128 PolarHBondContact O-N 3.16Å; R125-R129 WeakPolarHBondContact O-CB 3.31Å; R125-R129 PolarHBondContact O-N 3.02Å; R125-I725 HydrophobicContact CG-CD1 4.47Å; R125-I725 HydrophobicContact CG-CG2 4.21Å; R125-T796 HydrophobicContact CB-CG2 4.3Å; R125-T796 HydrophobicContact CG-CG2 4.2Å |
| 126 | F | 93.7 | Very high | 89.7 | Confident | 23 Ų | 23 | 35 Ų | 35 | 10% | 0.101 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.3 | 179.1 | -90.9 | 0 | 0 | 0 | 111.4 | R122 M123 R129 Y130 G797 T800 I819 F858 | R122-F126 PolarHBondContact O-N 2.91Å; M123-F126 HydrophobicContact CE-CD1 3.6Å; M123-F126 HydrophobicContact CE-CE1 4.11Å; M123-F126 PolarHBondContact O-N 2.88Å; M123-F126 HydrophobicContact SD-CD1 4.34Å; F126-R129 PolarHBondContact O-N 2.84Å; F126-Y130 PolarHBondContact O-N 3.07Å; F126-G797 WeakPolarHBondContact CA-O 3.32Å; F126-G797 VanDerWaalsContact CD2-O 3.31Å; F126-G797 WeakPolarHBondContact CD2-O 3.21Å; F126-T800 HydrophobicContact CB-CG2 3.73Å; F126-T800 HydrophobicContact CD1-CG2 4.22Å; F126-T800 HydrophobicContact CD2-CG2 3.97Å; F126-T800 HydrophobicContact CG-CG2 3.71Å; F126-I819 HydrophobicContact CZ-CG1 3.95Å; F126-F858 HydrophobicContact CE1-CE2 4.29Å |
| 127 | A | 94.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M123 D124 R125 Y130 R131 F858 | M123-A127 WeakPolarHBondContact O-CB 3.21Å; M123-A127 PolarHBondContact O-N 2.86Å; D124-A127 PolarHBondContact O-N 3.38Å; R125-A127 VanDerWaalsContact C-N 3.33Å; A127-Y130 PolarHBondContact O-N 3.41Å; A127-R131 VanDerWaalsContact O-CG 3.31Å; A127-R131 WeakPolarHBondContact O-CG 3.32Å; A127-R131 PolarHBondContact O-N 3.05Å; A127-F858 HydrophobicContact CB-CE1 4.16Å; A127-F858 HydrophobicContact CB-CZ 3.99Å |
| 128 | L | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.7 | -179.9 | 69.7 | 0 | 0 | 0 | 110.8 | D124 R125 Y130 R131 A132 F718 N721 L722 I725 I791 | D124-L128 WeakPolarHBondContact O-CB 3.42Å; D124-L128 PolarHBondContact O-N 2.72Å; R125-L128 PolarHBondContact O-N 3.16Å; L128-Y130 VanDerWaalsContact C-N 3.34Å; L128-Y130 PolarHBondContact O-N 3.5Å; L128-R131 PolarHBondContact O-N 3.13Å; L128-A132 VanDerWaalsContact O-CB 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.43Å; L128-A132 PolarHBondContact O-N 2.88Å; L128-F718 HydrophobicContact CD1-CD2 3.89Å; L128-F718 HydrophobicContact CD1-CE2 3.45Å; L128-F718 VanDerWaalsContact CD1-CE2 3.45Å; L128-F718 HydrophobicContact CD1-CZ 4.02Å; L128-F718 HydrophobicContact CG-CE2 4.46Å; L128-N721 WeakPolarHBondContact CD1-OD1 3.23Å; L128-L722 HydrophobicContact CD1-CB 4.23Å; L128-L722 HydrophobicContact CD2-CB 4.47Å; L128-L722 HydrophobicContact CD2-CD1 3.96Å; L128-I725 HydrophobicContact CB-CD1 3.57Å; L128-I725 HydrophobicContact CD2-CB 3.84Å; L128-I725 HydrophobicContact CD2-CD1 3.42Å; L128-I725 VanDerWaalsContact CD2-CD1 3.42Å; L128-I725 HydrophobicContact CD2-CG1 4.17Å; L128-I725 HydrophobicContact CD2-CG2 3.87Å; L128-I725 HydrophobicContact CG-CD1 4.03Å; L128-I791 HydrophobicContact CD2-CD1 4.06Å; L128-I791 HydrophobicContact CD2-CG1 4.04Å; L128-I791 HydrophobicContact CD2-CG2 4.45Å |
| 129 | R | 94.2 | Very high | 91.5 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 19% | 0.189 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 178.7 | -172 | -177.4 | 178.7 | 89.7 | -1.3 | 112.1 | R125 F126 A132 R133 I791 L792 G794 G797 | R125-R129 WeakPolarHBondContact O-CB 3.31Å; R125-R129 PolarHBondContact O-N 3.02Å; F126-R129 PolarHBondContact O-N 2.84Å; R129-A132 PolarHBondContact O-N 3.4Å; R129-R133 PolarHBondContact O-N 2.74Å; R129-R133 VanDerWaalsContact O-N 3.08Å; R129-I791 HydrophobicContact CB-CG2 4.14Å; R129-I791 HydrophobicContact CG-CG2 4.38Å; R129-I791 PolarHBondContact NH1-O 3.48Å; R129-L792 HydrophobicContact CG-CD2 4.1Å; R129-L792 PolarHBondContact NH1-O 3.38Å; R129-L792 PolarHBondContact NH2-O 2.96Å; R129-G794 PolarHBondContact NH1-O 2.83Å; R129-G797 WeakPolarHBondContact CD-O 3.09Å |
| 130 | Y | 95.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 174.9 | 173.8 | -111.1 | 0 | 0 | 0 | 112 | F126 A127 L128 A132 R133 K134 I819 P840 R842 F858 | F126-Y130 PolarHBondContact O-N 3.07Å; A127-Y130 PolarHBondContact O-N 3.41Å; L128-Y130 VanDerWaalsContact C-N 3.34Å; L128-Y130 PolarHBondContact O-N 3.5Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-A132 PolarHBondContact O-N 3Å; Y130-R133 PolarHBondContact O-N 3.28Å; Y130-K134 WeakPolarHBondContact O-CB 3.49Å; Y130-K134 PolarHBondContact O-N 2.84Å; Y130-I819 HydrophobicContact CD2-CD1 3.51Å; Y130-I819 HydrophobicContact CD2-CG1 3.89Å; Y130-I819 HydrophobicContact CD2-CG2 3.92Å; Y130-I819 HydrophobicContact CE2-CD1 3.76Å; Y130-I819 HydrophobicContact CE2-CG2 4.42Å; Y130-I819 HydrophobicContact CG-CD1 4.32Å; Y130-P840 HydrophobicContact CE2-CB 4.31Å; Y130-R842 HydrophobicContact CE2-CB 4.07Å; Y130-F858 AromaticContact CD1-CD1 3.52Å; Y130-F858 HydrophobicContact CD1-CD1 3.52Å; Y130-F858 AromaticContact CD1-CD2 3.82Å; Y130-F858 HydrophobicContact CD1-CD2 3.82Å; Y130-F858 AromaticContact CD1-CE1 3.43Å; Y130-F858 HydrophobicContact CD1-CE1 3.43Å; Y130-F858 VanDerWaalsContact CD1-CE1 3.43Å; Y130-F858 AromaticContact CD1-CE2 3.71Å; Y130-F858 HydrophobicContact CD1-CE2 3.71Å; Y130-F858 AromaticContact CD1-CG 3.72Å; Y130-F858 HydrophobicContact CD1-CG 3.72Å; Y130-F858 AromaticContact CD1-CZ 3.53Å; Y130-F858 HydrophobicContact CD1-CZ 3.53Å; Y130-F858 HydrophobicContact CE1-CB 3.97Å; Y130-F858 AromaticContact CE1-CD1 3.59Å; Y130-F858 HydrophobicContact CE1-CD1 3.59Å; Y130-F858 AromaticContact CE1-CD2 3.81Å; Y130-F858 HydrophobicContact CE1-CD2 3.81Å; Y130-F858 HydrophobicContact CE1-CE1 4.03Å; Y130-F858 HydrophobicContact CE1-CE2 4.2Å; Y130-F858 AromaticContact CE1-CG 3.48Å; Y130-F858 HydrophobicContact CE1-CG 3.48Å; Y130-F858 VanDerWaalsContact CE1-CG 3.48Å; Y130-F858 HydrophobicContact CE1-CZ 4.31Å; Y130-F858 HydrophobicContact CG-CE1 4.39Å; Y130-F858 HydrophobicContact CG-CE2 4.17Å; Y130-F858 HydrophobicContact CG-CZ 4.1Å |
| 131 | R | 95.5 | Very high | 92 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 18% | 0.177 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 175.8 | -71.1 | 174.1 | -169.1 | 154.6 | -0 | 111.8 | A127 L128 R133 K134 Y135 F718 E859 | A127-R131 VanDerWaalsContact O-CG 3.31Å; A127-R131 WeakPolarHBondContact O-CG 3.32Å; A127-R131 PolarHBondContact O-N 3.05Å; L128-R131 PolarHBondContact O-N 3.13Å; R131-R133 PolarHBondContact O-N 2.78Å; R131-K134 PolarHBondContact O-N 2.87Å; R131-Y135 HydrophobicContact CB-CD2 4.04Å; R131-Y135 HydrophobicContact CB-CE2 3.94Å; R131-Y135 HydrophobicContact CG-CE2 4.33Å; R131-Y135 WeakPolarHBondContact O-CB 3.32Å; R131-Y135 WeakPolarHBondContact O-CD2 3.39Å; R131-Y135 PolarHBondContact O-N 2.83Å; R131-F718 HydrophobicContact CB-CD2 4.07Å; R131-F718 HydrophobicContact CB-CE2 4.12Å; R131-E859 IonicContact CZ-OE1 3.96Å; R131-E859 VanDerWaalsContact CZ-OE1 3.3Å; R131-E859 IonicContact CZ-OE2 2.67Å; R131-E859 IonicContact NE-OE1 3.17Å; R131-E859 PolarHBondContact NE-OE1 3.47Å; R131-E859 IonicContact NE-OE2 3.55Å; R131-E859 VanDerWaalsContact NH2-CD 3.28Å; R131-E859 IonicContact NH2-OE1 3.18Å; R131-E859 PolarHBondContact NH2-OE1 3.21Å; R131-E859 IonicContact NH2-OE2 2.72Å; R131-E859 PolarHBondContact NH2-OE2 3.42Å |
| 132 | A | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L128 R129 Y130 S136 F718 L788 L792 | L128-A132 VanDerWaalsContact O-CB 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.43Å; L128-A132 PolarHBondContact O-N 2.88Å; R129-A132 PolarHBondContact O-N 3.4Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-A132 PolarHBondContact O-N 3Å; A132-S136 WeakPolarHBondContact O-CB 3.33Å; A132-S136 PolarHBondContact O-N 3.48Å; A132-F718 HydrophobicContact CB-CE2 4.06Å; A132-F718 HydrophobicContact CB-CZ 4Å; A132-L788 HydrophobicContact CB-CD2 3.52Å; A132-L792 HydrophobicContact CB-CD1 4.47Å; A132-L792 HydrophobicContact CB-CD2 3.77Å; A132-L792 HydrophobicContact CB-CG 4.18Å |
| 133 | R | 93.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.9 | -72.4 | -65 | -178.5 | 166.3 | -3.9 | 112.1 | R129 Y130 R131 S137 L792 E823 P840 | R129-R133 PolarHBondContact O-N 2.74Å; R129-R133 VanDerWaalsContact O-N 3.08Å; Y130-R133 PolarHBondContact O-N 3.28Å; R131-R133 PolarHBondContact O-N 2.78Å; R133-S137 VanDerWaalsContact O-CB 3.31Å; R133-S137 WeakPolarHBondContact O-CB 3Å; R133-S137 PolarHBondContact O-N 3.17Å; R133-L792 HydrophobicContact CG-CD2 3.63Å; R133-E823 IonicContact NH1-OE2 3.5Å; R133-P840 HydrophobicContact CB-CB 3.84Å; R133-P840 HydrophobicContact CB-CG 3.82Å |
| 134 | K | 94.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 46 Ų | 46 | 34% | 0.335 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.5 | -55.9 | -178.3 | -179.9 | -175.5 | 169.3 | -174.5 | 0 | 111 | Y130 R131 S137 E138 P840 | Y130-K134 WeakPolarHBondContact O-CB 3.49Å; Y130-K134 PolarHBondContact O-N 2.84Å; R131-K134 PolarHBondContact O-N 2.87Å; K134-S137 WeakPolarHBondContact O-CB 3.26Å; K134-S137 PolarHBondContact O-N 3.4Å; K134-E138 WeakPolarHBondContact CE-OE1 3.31Å; K134-E138 WeakPolarHBondContact CG-OE1 3.4Å; K134-E138 IonicContact NZ-OE1 2.68Å; K134-E138 WeakPolarHBondContact O-CG 3.46Å; K134-E138 PolarHBondContact O-N 3.46Å; K134-P840 HydrophobicContact CB-CG 4.32Å |
| 135 | Y | 93.6 | Very high | 91.2 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | -179.4 | -67.2 | -54.4 | 0 | 0 | 0 | 111.3 | R131 S137 E138 Q139 N714 F718 W779 | R131-Y135 HydrophobicContact CB-CD2 4.04Å; R131-Y135 HydrophobicContact CB-CE2 3.94Å; R131-Y135 HydrophobicContact CG-CE2 4.33Å; R131-Y135 WeakPolarHBondContact O-CB 3.32Å; R131-Y135 WeakPolarHBondContact O-CD2 3.39Å; R131-Y135 PolarHBondContact O-N 2.83Å; Y135-S137 VanDerWaalsContact C-N 3.32Å; Y135-S137 PolarHBondContact O-N 3.26Å; Y135-E138 WeakPolarHBondContact CD1-OE2 3.49Å; Y135-E138 PolarHBondContact O-N 2.69Å; Y135-Q139 WeakPolarHBondContact O-CB 3.49Å; Y135-Q139 WeakPolarHBondContact O-CG 3.49Å; Y135-Q139 PolarHBondContact O-N 2.87Å; Y135-N714 HydrophobicContact CE1-CB 4.17Å; Y135-N714 PolarHBondContact OH-OD1 2.73Å; Y135-F718 HydrophobicContact CD2-CB 4.47Å; Y135-F718 AromaticContact CD2-CD2 3.79Å; Y135-F718 HydrophobicContact CD2-CD2 3.79Å; Y135-F718 HydrophobicContact CD2-CE2 4.32Å; Y135-F718 HydrophobicContact CD2-CG 4.17Å; Y135-F718 HydrophobicContact CE2-CB 4.26Å; Y135-F718 HydrophobicContact CE2-CD2 4.02Å; Y135-F718 HydrophobicContact CE2-CG 4.38Å; Y135-W779 HydrophobicContact CD1-CH2 4.09Å; Y135-W779 HydrophobicContact CD1-CZ2 4.09Å; Y135-W779 AromaticContact CD2-CH2 3.56Å; Y135-W779 HydrophobicContact CD2-CH2 3.56Å; Y135-W779 HydrophobicContact CD2-CZ2 4.31Å; Y135-W779 HydrophobicContact CD2-CZ3 4.3Å; Y135-W779 HydrophobicContact CE2-CH2 4.22Å; Y135-W779 AromaticContact CG-CH2 3.49Å; Y135-W779 HydrophobicContact CG-CH2 3.49Å; Y135-W779 VanDerWaalsContact CG-CH2 3.49Å; Y135-W779 AromaticContact CG-CZ2 3.96Å; Y135-W779 HydrophobicContact CG-CZ2 3.96Å; Y135-W779 HydrophobicContact CG-CZ3 4.15Å |
| 136 | S | 90.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -46.6 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | A132 Q139 F140 | A132-S136 WeakPolarHBondContact O-CB 3.33Å; A132-S136 PolarHBondContact O-N 3.48Å; S136-Q139 PolarHBondContact O-N 3.04Å; S136-F140 WeakPolarHBondContact O-CD2 3.36Å; S136-F140 PolarHBondContact O-N 3.33Å; S136-F140 VanDerWaalsContact O-N 3.14Å; S136-F140 WeakPolarHBondContact OG-CE2 3.36Å |
| 137 | S | 91.3 | Very high | 91 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | R133 K134 Y135 R141 P837 T839 | R133-S137 VanDerWaalsContact O-CB 3.31Å; R133-S137 WeakPolarHBondContact O-CB 3Å; R133-S137 PolarHBondContact O-N 3.17Å; K134-S137 WeakPolarHBondContact O-CB 3.26Å; K134-S137 PolarHBondContact O-N 3.4Å; Y135-S137 VanDerWaalsContact C-N 3.32Å; Y135-S137 PolarHBondContact O-N 3.26Å; S137-R141 WeakPolarHBondContact O-CG 3.37Å; S137-P837 WeakPolarHBondContact O-CG 3.4Å; S137-T839 PolarHBondContact OG-OG1 2.83Å |
| 138 | E | 91.4 | Very high | 90.8 | Very high | 76 Ų | 76 | 40.8 Ų | 40.8 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 177.2 | -72 | 168.5 | 178.3 | 0 | 0 | 111.7 | K134 Y135 R141 M142 | K134-E138 WeakPolarHBondContact CE-OE1 3.31Å; K134-E138 WeakPolarHBondContact CG-OE1 3.4Å; K134-E138 IonicContact NZ-OE1 2.68Å; K134-E138 WeakPolarHBondContact O-CG 3.46Å; K134-E138 PolarHBondContact O-N 3.46Å; Y135-E138 WeakPolarHBondContact CD1-OE2 3.49Å; Y135-E138 PolarHBondContact O-N 2.69Å; E138-R141 PolarHBondContact O-N 2.98Å; E138-M142 WeakPolarHBondContact O-CG 3.4Å |
| 139 | Q | 89.5 | Confident | 90.5 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.7 | -37.6 | -176.8 | -68.3 | -49.6 | -39.5 | 0 | 0 | 113.3 | Y135 S136 R141 M142 W779 | Y135-Q139 WeakPolarHBondContact O-CB 3.49Å; Y135-Q139 WeakPolarHBondContact O-CG 3.49Å; Y135-Q139 PolarHBondContact O-N 2.87Å; S136-Q139 PolarHBondContact O-N 3.04Å; Q139-R141 PolarHBondContact O-N 3.26Å; Q139-M142 PolarHBondContact O-N 2.85Å; Q139-W779 HydrophobicContact CG-CB 3.91Å; Q139-W779 HydrophobicContact CG-CD2 3.97Å; Q139-W779 HydrophobicContact CG-CE3 4.42Å; Q139-W779 HydrophobicContact CG-CG 3.73Å |
| 140 | F | 86.8 | Confident | 90.5 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65 | -25.9 | 177 | -82.3 | -60.3 | 0 | 0 | 0 | 113.8 | S136 M142 N833 P837 | S136-F140 WeakPolarHBondContact O-CD2 3.36Å; S136-F140 PolarHBondContact O-N 3.33Å; S136-F140 VanDerWaalsContact O-N 3.14Å; S136-F140 WeakPolarHBondContact OG-CE2 3.36Å; F140-M142 VanDerWaalsContact C-N 3.35Å; F140-N833 HydrophobicContact CB-CB 4.32Å; F140-N833 HydrophobicContact CD1-CB 3.91Å; F140-N833 HydrophobicContact CD2-CB 4.46Å; F140-N833 HydrophobicContact CE1-CB 4.34Å; F140-N833 HydrophobicContact CG-CB 4Å; F140-P837 HydrophobicContact CB-CB 3.7Å; F140-P837 HydrophobicContact CB-CG 4.21Å; F140-P837 HydrophobicContact CD2-CB 3.89Å; F140-P837 HydrophobicContact CG-CB 4.13Å |
| 141 | R | 87.8 | Confident | 90.3 | Very high | 145 Ų | 145 | 38.2 Ų | 38.2 | 55% | 0.547 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -9.6 | -179.1 | -63.7 | -179.2 | 73.3 | -163 | 2.6 | 113.6 | S137 E138 Q139 P837 E909 | S137-R141 WeakPolarHBondContact O-CG 3.37Å; E138-R141 PolarHBondContact O-N 2.98Å; Q139-R141 PolarHBondContact O-N 3.26Å; R141-P837 HydrophobicContact CG-CG 3.88Å; R141-E909 IonicContact NH2-OE2 3.5Å |
| 142 | M | 87.9 | Confident | 90.1 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 31% | 0.305 | 17% | 0.172 | S | C | . | . | trans | -69.3 | 133.4 | -178 | -64.5 | -62.6 | -174.5 | 0 | 0 | 110.7 | E138 Q139 F140 Y144 S145 | E138-M142 WeakPolarHBondContact O-CG 3.4Å; Q139-M142 PolarHBondContact O-N 2.85Å; F140-M142 VanDerWaalsContact C-N 3.35Å; M142-Y144 HydrophobicContact CB-CE2 4.15Å; M142-Y144 PolarHBondContact O-N 3.37Å; M142-S145 PolarHBondContact O-N 3.37Å | ||
| 143 | P | 82.5 | Confident | 89.9 | Confident | 79 Ų | 79 | 38.8 Ų | 38.8 | 51% | 0.513 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -41.2 | -175.8 | 23.4 | -31.3 | 0 | 0 | 0 | 111.4 | S145 R167 | P143-S145 PolarHBondContact O-N 3.37Å; P143-R167 PolarHBondContact O-NH2 3.45Å |
| 144 | Y | 86 | Confident | 89.8 | Confident | 36 Ų | 36 | 38.3 Ų | 38.3 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 28.4 | -175.1 | 45.1 | -110.6 | 0 | 0 | 0 | 113.6 | M142 G146 L147 R148 L702 I706 | M142-Y144 HydrophobicContact CB-CE2 4.15Å; M142-Y144 PolarHBondContact O-N 3.37Å; Y144-G146 PolarHBondContact O-N 2.91Å; Y144-L147 PolarHBondContact O-N 2.87Å; Y144-L147 VanDerWaalsContact O-N 3.14Å; Y144-R148 HydrophobicContact CD2-CG 3.84Å; Y144-R148 HydrophobicContact CE2-CG 4.27Å; Y144-L702 HydrophobicContact CD1-CD1 3.98Å; Y144-L702 HydrophobicContact CG-CD1 4.09Å; Y144-I706 HydrophobicContact CD2-CG1 4.33Å; Y144-I706 HydrophobicContact CG-CG1 4.36Å |
| 145 | S | 86 | Confident | 89.6 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.3 | 172.1 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | M142 P143 Q193 | M142-S145 PolarHBondContact O-N 3.37Å; P143-S145 PolarHBondContact O-N 3.37Å; S145-Q193 PolarHBondContact O-NE2 3.28Å |
| 146 | G | 88.2 | Confident | 89.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -5.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y144 H192 E780 | Y144-G146 PolarHBondContact O-N 2.91Å; G146-H192 PolarHBondContact O-ND1 3.47Å; G146-E780 WeakPolarHBondContact CA-OE2 3.28Å; G146-E780 PolarHBondContact N-OE1 2.91Å |
| 147 | L | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -111 | 17.6 | 178.6 | -58.6 | 178.1 | 0 | 0 | 0 | 112.9 | Y144 Q150 L159 A162 H163 M189 L702 I706 | Y144-L147 PolarHBondContact O-N 2.87Å; Y144-L147 VanDerWaalsContact O-N 3.14Å; L147-Q150 VanDerWaalsContact O-CD 3.31Å; L147-Q150 PolarHBondContact O-NE2 3.32Å; L147-Q150 PolarHBondContact O-OE1 2.97Å; L147-L159 HydrophobicContact CB-CD2 4.45Å; L147-A162 HydrophobicContact CD2-CB 3.64Å; L147-H163 HydrophobicContact CD1-CB 3.76Å; L147-M189 HydrophobicContact CD2-CB 3.93Å; L147-M189 HydrophobicContact CD2-CG 4.46Å; L147-M189 HydrophobicContact CD2-SD 4.46Å; L147-L702 HydrophobicContact CD1-CD2 4.43Å; L147-I706 HydrophobicContact CB-CD1 4.37Å; L147-I706 WeakPolarHBondContact O-CD1 3.38Å |
| 148 | R | 89.5 | Confident | 89.6 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -117.4 | -33.1 | -178.7 | -66.7 | 176 | -85 | 177.8 | 1.6 | 113.2 | Y144 Q150 I706 R765 E780 | Y144-R148 HydrophobicContact CD2-CG 3.84Å; Y144-R148 HydrophobicContact CE2-CG 4.27Å; R148-Q150 VanDerWaalsContact C-OE1 3.31Å; R148-Q150 PolarHBondContact O-N 2.91Å; R148-I706 HydrophobicContact CG-CG1 3.98Å; R148-I706 HydrophobicContact CG-CG2 3.95Å; R148-R765 PolarHBondContact O-NH2 3.24Å; R148-E780 IonicContact CZ-OE1 2.84Å; R148-E780 PolarHBondContact N-OE2 3.5Å; R148-E780 IonicContact NE-OE1 3.24Å; R148-E780 IonicContact NH2-OE1 3.37Å |
| 149 | G | 89.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -72.2 | -9.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T778 E780 | G149-T778 WeakPolarHBondContact CA-OG1 3.44Å; G149-E780 PolarHBondContact N-OE2 3.18Å |
| 150 | Q | 93 | Very high | 90 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -74.3 | 139.5 | -179.6 | 74 | -75.1 | 2.2 | 0 | 0 | 112 | L147 R148 T152 M189 R222 F223 R765 | L147-Q150 VanDerWaalsContact O-CD 3.31Å; L147-Q150 PolarHBondContact O-NE2 3.32Å; L147-Q150 PolarHBondContact O-OE1 2.97Å; R148-Q150 VanDerWaalsContact C-OE1 3.31Å; R148-Q150 PolarHBondContact O-N 2.91Å; Q150-T152 VanDerWaalsContact C-N 3.27Å; Q150-T152 HydrophobicContact CB-CG2 4.29Å; Q150-T152 HydrophobicContact CG-CG2 4.11Å; Q150-T152 WeakPolarHBondContact CG-OG1 3.39Å; Q150-T152 PolarHBondContact O-N 3.02Å; Q150-T152 VanDerWaalsContact O-N 3.16Å; Q150-M189 HydrophobicContact CG-CG 4.28Å; Q150-M189 HydrophobicContact CG-SD 4.39Å; Q150-R222 CarbonylContact C-O 3.35Å; Q150-R222 WeakPolarHBondContact CA-O 3Å; Q150-F223 HydrophobicContact CB-CD1 3.63Å; Q150-F223 HydrophobicContact CB-CE1 3.5Å; Q150-F223 HydrophobicContact CB-CZ 4.46Å; Q150-F223 HydrophobicContact CG-CE1 4.24Å; Q150-R765 PolarHBondContact O-NH1 2.75Å |
| 151 | R | 92.4 | Very high | 90.3 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 11% | 0.106 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -86.9 | 66.7 | 170.1 | -168.1 | -175.3 | 80 | -178.8 | 7.4 | 109.9 | R221 R222 A768 L769 E772 A774 F776 | R151-R221 PolarHBondContact NE-O 3.18Å; R151-R222 PolarHBondContact N-O 2.98Å; R151-A768 WeakPolarHBondContact CD-O 3.39Å; R151-A768 HydrophobicContact CG-CB 3.89Å; R151-L769 HydrophobicContact CG-CD2 4.44Å; R151-E772 PolarHBondContact NH1-O 3.28Å; R151-A774 PolarHBondContact NH1-O 3.31Å; R151-F776 HydrophobicContact CB-CB 4.06Å; R151-F776 HydrophobicContact CG-CB 3.89Å |
| 152 | T | 90.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 3% | 0.025 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -136.1 | 159.1 | 175.7 | 71.2 | 0 | 0 | 0 | 0 | 110.3 | Q150 I185 R222 F223 R765 | Q150-T152 VanDerWaalsContact C-N 3.27Å; Q150-T152 HydrophobicContact CB-CG2 4.29Å; Q150-T152 HydrophobicContact CG-CG2 4.11Å; Q150-T152 WeakPolarHBondContact CG-OG1 3.39Å; Q150-T152 PolarHBondContact O-N 3.02Å; Q150-T152 VanDerWaalsContact O-N 3.16Å; T152-I185 HydrophobicContact CG2-CD1 4.39Å; T152-I185 HydrophobicContact CG2-CG2 3.85Å; T152-R222 HydrophobicContact CG2-CB 4.15Å; T152-R222 HydrophobicContact CG2-CG 4.45Å; T152-F223 HydrophobicContact CG2-CZ 4.45Å; T152-R765 PolarHBondContact O-NH1 3.01Å |
| 153 | S | 89.2 | Confident | 90.9 | Very high | 56 Ų | 56 | 18 Ų | 18 | 39% | 0.392 | 10% | 0.104 | S | C | . | . | trans | -61.3 | 148.2 | 165.8 | -51.5 | 0 | 0 | 0 | 0 | 110.2 | I155 L769 | S153-I155 PolarHBondContact O-N 3.5Å; S153-I155 VanDerWaalsContact O-N 3.11Å; S153-L769 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 154 | L | 91.9 | Very high | 91.3 | Very high | 31 Ų | 31 | 16.2 Ų | 16.2 | 16% | 0.162 | 9% | 0.09 | C | C | . | . | trans | -86.1 | 77.6 | -177.8 | -60.4 | 177.7 | 0 | 0 | 0 | 110.4 | P156 L159 A703 I706 E707 | L154-P156 WeakPolarHBondContact O-CD 3.42Å; L154-L159 HydrophobicContact CB-CD1 4.09Å; L154-L159 HydrophobicContact CD2-CD1 4.43Å; L154-A703 HydrophobicContact CB-CB 4.28Å; L154-I706 HydrophobicContact CD1-CB 4.01Å; L154-I706 HydrophobicContact CD1-CG2 3.72Å; L154-I706 HydrophobicContact CD2-CB 4.34Å; L154-I706 HydrophobicContact CD2-CG2 3.67Å; L154-I706 HydrophobicContact CG-CG2 4.36Å; L154-E707 HydrophobicContact CD1-CB 3.99Å | ||
| 155 | I | 91 | Very high | 91.6 | Very high | 27 Ų | 27 | 14.5 Ų | 14.5 | 14% | 0.138 | 8% | 0.083 | C | C | . | . | trans | -86.4 | 119.5 | -176.8 | -60.8 | 174 | 0 | 0 | 0 | 109.5 | S153 H157 Q158 L159 I600 | S153-I155 PolarHBondContact O-N 3.5Å; S153-I155 VanDerWaalsContact O-N 3.11Å; I155-H157 WeakPolarHBondContact CG2-CE1 3.23Å; I155-H157 VanDerWaalsContact CG2-ND1 3.34Å; I155-H157 WeakPolarHBondContact CG2-ND1 3.27Å; I155-H157 PolarHBondContact O-N 3.48Å; I155-Q158 HydrophobicContact CB-CB 4.39Å; I155-Q158 HydrophobicContact CB-CG 4.01Å; I155-Q158 HydrophobicContact CG2-CG 3.9Å; I155-Q158 PolarHBondContact O-N 2.91Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.3Å; I155-I600 HydrophobicContact CD1-CB 4.41Å; I155-I600 HydrophobicContact CD1-CD1 3.9Å; I155-I600 HydrophobicContact CD1-CG1 3.9Å; I155-I600 HydrophobicContact CD1-CG2 3.66Å; I155-I600 HydrophobicContact CG1-CD1 4.46Å; I155-I600 HydrophobicContact CG2-CD1 3.76Å | ||
| 156 | P | 91.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 12.6 Ų | 12.6 | 23% | 0.227 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -54.9 | -51.2 | -169.9 | -30.9 | 36.2 | 0 | 0 | 0 | 114.9 | L154 Q158 L159 N160 A699 A703 | L154-P156 WeakPolarHBondContact O-CD 3.42Å; P156-Q158 VanDerWaalsContact C-N 3.31Å; P156-Q158 PolarHBondContact O-N 3.11Å; P156-L159 WeakPolarHBondContact O-CB 3.31Å; P156-L159 PolarHBondContact O-N 2.86Å; P156-L159 VanDerWaalsContact O-N 3.17Å; P156-N160 PolarHBondContact O-N 2.89Å; P156-A699 HydrophobicContact CB-CB 3.76Å; P156-A699 WeakPolarHBondContact O-CB 3.43Å; P156-A703 HydrophobicContact CG-CB 4.44Å |
| 157 | H | 90.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | -177.3 | 68.2 | -89.3 | 0 | 0 | 0 | 112.2 | I155 N160 I161 D177 N420 | I155-H157 WeakPolarHBondContact CG2-CE1 3.23Å; I155-H157 VanDerWaalsContact CG2-ND1 3.34Å; I155-H157 WeakPolarHBondContact CG2-ND1 3.27Å; I155-H157 PolarHBondContact O-N 3.48Å; H157-N160 PolarHBondContact O-N 3.43Å; H157-I161 WeakPolarHBondContact O-CG1 3.48Å; H157-I161 PolarHBondContact O-N 2.9Å; H157-D177 IonicContact CD2-OD2 3.58Å; H157-N420 PolarHBondContact CD2-ND2 2.93Å |
| 158 | Q | 93.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 2% | 0.023 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.4 | -55.5 | -179.7 | -20.7 | 0 | 0 | 111 | I155 P156 N160 I161 A162 L181 E186 M189 | I155-Q158 HydrophobicContact CB-CB 4.39Å; I155-Q158 HydrophobicContact CB-CG 4.01Å; I155-Q158 HydrophobicContact CG2-CG 3.9Å; I155-Q158 PolarHBondContact O-N 2.91Å; P156-Q158 VanDerWaalsContact C-N 3.31Å; P156-Q158 PolarHBondContact O-N 3.11Å; Q158-N160 VanDerWaalsContact C-N 3.34Å; Q158-I161 PolarHBondContact O-N 2.87Å; Q158-A162 WeakPolarHBondContact O-CB 3.12Å; Q158-A162 PolarHBondContact O-N 2.93Å; Q158-L181 PolarHBondContact NE2-O 3.45Å; Q158-E186 HydrophobicContact CB-CG 3.9Å; Q158-E186 HydrophobicContact CG-CG 4.03Å; Q158-M189 HydrophobicContact CB-CE 3.53Å; Q158-M189 WeakPolarHBondContact O-CE 3.45Å |
| 159 | L | 94.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.9 | -71 | 171.4 | 0 | 0 | 0 | 111.6 | L147 L154 I155 P156 A162 H163 M189 L702 A703 I706 | L147-L159 HydrophobicContact CB-CD2 4.45Å; L154-L159 HydrophobicContact CB-CD1 4.09Å; L154-L159 HydrophobicContact CD2-CD1 4.43Å; I155-L159 WeakPolarHBondContact O-CG 3.18Å; I155-L159 PolarHBondContact O-N 3.3Å; P156-L159 WeakPolarHBondContact O-CB 3.31Å; P156-L159 PolarHBondContact O-N 2.86Å; P156-L159 VanDerWaalsContact O-N 3.17Å; L159-A162 PolarHBondContact O-N 3.08Å; L159-H163 WeakPolarHBondContact O-CB 3.29Å; L159-H163 PolarHBondContact O-N 2.94Å; L159-M189 HydrophobicContact CD2-SD 3.91Å; L159-L702 HydrophobicContact CB-CD2 3.99Å; L159-L702 HydrophobicContact CB-CG 4.49Å; L159-A703 HydrophobicContact CD1-CB 3.74Å; L159-I706 HydrophobicContact CD1-CD1 4.23Å; L159-I706 HydrophobicContact CD2-CD1 3.99Å |
| 160 | N | 93.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 177.6 | -176.8 | 70.6 | 0 | 0 | 0 | 111.9 | P156 H157 Q158 A162 H163 D164 S693 G695 A699 | P156-N160 PolarHBondContact O-N 2.89Å; H157-N160 PolarHBondContact O-N 3.43Å; Q158-N160 VanDerWaalsContact C-N 3.34Å; N160-A162 VanDerWaalsContact C-N 3.34Å; N160-A162 PolarHBondContact O-N 2.85Å; N160-H163 PolarHBondContact O-N 2.88Å; N160-D164 WeakPolarHBondContact O-CB 3.47Å; N160-D164 PolarHBondContact O-N 3.36Å; N160-S693 PolarHBondContact ND2-O 2.96Å; N160-S693 VanDerWaalsContact ND2-O 3.13Å; N160-G695 WeakPolarHBondContact ND2-CA 3.38Å; N160-A699 HydrophobicContact CB-CB 3.8Å |
| 161 | I | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.9 | -51.2 | 175.8 | -67.8 | 171.1 | 0 | 0 | 0 | 109.8 | H157 Q158 H163 D164 V165 L175 F418 N420 | H157-I161 WeakPolarHBondContact O-CG1 3.48Å; H157-I161 PolarHBondContact O-N 2.9Å; Q158-I161 PolarHBondContact O-N 2.87Å; I161-H163 VanDerWaalsContact C-N 3.33Å; I161-H163 PolarHBondContact O-N 3.29Å; I161-D164 PolarHBondContact O-N 3.35Å; I161-V165 HydrophobicContact CG2-CG2 4.27Å; I161-V165 WeakPolarHBondContact O-CB 3.24Å; I161-V165 VanDerWaalsContact O-CG2 3.27Å; I161-V165 WeakPolarHBondContact O-CG2 3.28Å; I161-V165 PolarHBondContact O-N 3.16Å; I161-L175 HydrophobicContact CG2-CD2 3.6Å; I161-F418 HydrophobicContact CD1-CB 4.04Å; I161-F418 HydrophobicContact CG1-CB 4.17Å; I161-F418 HydrophobicContact CG1-CD1 3.84Å; I161-F418 HydrophobicContact CG1-CG 4.25Å; I161-F418 HydrophobicContact CG2-CB 4.43Å; I161-F418 HydrophobicContact CG2-CD1 4.37Å; I161-F418 HydrophobicContact CG2-CG 4.27Å; I161-N420 WeakPolarHBondContact CD1-ND2 3.36Å |
| 162 | A | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L147 Q158 L159 N160 G166 M189 I190 Q193 | L147-A162 HydrophobicContact CD2-CB 3.64Å; Q158-A162 WeakPolarHBondContact O-CB 3.12Å; Q158-A162 PolarHBondContact O-N 2.93Å; L159-A162 PolarHBondContact O-N 3.08Å; N160-A162 VanDerWaalsContact C-N 3.34Å; N160-A162 PolarHBondContact O-N 2.85Å; A162-G166 WeakPolarHBondContact O-CA 3.43Å; A162-G166 PolarHBondContact O-N 2.68Å; A162-M189 HydrophobicContact CB-CB 3.49Å; A162-M189 VanDerWaalsContact CB-CB 3.49Å; A162-M189 HydrophobicContact CB-CE 4.04Å; A162-M189 HydrophobicContact CB-CG 4.46Å; A162-M189 HydrophobicContact CB-SD 4.26Å; A162-I190 HydrophobicContact CB-CG1 4.24Å; A162-Q193 PolarHBondContact O-OE1 3.1Å |
| 163 | H | 93.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 24.6 Ų | 24.6 | 11% | 0.111 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.2 | -173.8 | 95.3 | 0 | 0 | 0 | 113.3 | L147 L159 N160 I161 R167 L702 | L147-H163 HydrophobicContact CD1-CB 3.76Å; L159-H163 WeakPolarHBondContact O-CB 3.29Å; L159-H163 PolarHBondContact O-N 2.94Å; N160-H163 PolarHBondContact O-N 2.88Å; I161-H163 VanDerWaalsContact C-N 3.33Å; I161-H163 PolarHBondContact O-N 3.29Å; H163-R167 PolarHBondContact CE1-NH1 2.97Å; H163-R167 VanDerWaalsContact CE1-NH1 3.28Å; H163-R167 PolarHBondContact CE1-NH2 2.57Å; H163-R167 VanDerWaalsContact NE2-CZ 3.31Å; H163-R167 PolarHBondContact NE2-NH1 3.2Å; H163-R167 PolarHBondContact NE2-NH2 2.87Å; H163-L702 HydrophobicContact CB-CD2 3.92Å |
| 164 | D | 89.7 | Confident | 92.3 | Very high | 40 Ų | 40 | 21.9 Ų | 21.9 | 21% | 0.214 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -79 | -31.3 | -177 | -74.1 | -9.4 | 0 | 0 | 0 | 112.1 | N160 I161 R168 K698 | N160-D164 WeakPolarHBondContact O-CB 3.47Å; N160-D164 PolarHBondContact O-N 3.36Å; I161-D164 PolarHBondContact O-N 3.35Å; D164-R168 WeakPolarHBondContact O-CG 3.5Å; D164-R168 PolarHBondContact O-NE 3.46Å; D164-K698 IonicContact OD1-NZ 3.55Å; D164-K698 PolarHBondContact OD1-NZ 3.43Å; D164-K698 IonicContact OD2-NZ 3.59Å |
| 165 | V | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -90.1 | -45.6 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 112 | I161 R167 R168 P171 V173 I190 L310 F418 | I161-V165 HydrophobicContact CG2-CG2 4.27Å; I161-V165 WeakPolarHBondContact O-CB 3.24Å; I161-V165 VanDerWaalsContact O-CG2 3.27Å; I161-V165 WeakPolarHBondContact O-CG2 3.28Å; I161-V165 PolarHBondContact O-N 3.16Å; V165-R167 PolarHBondContact O-N 3.46Å; V165-R167 VanDerWaalsContact O-N 3.1Å; V165-R168 WeakPolarHBondContact O-CB 3.5Å; V165-R168 PolarHBondContact O-N 3.33Å; V165-R168 VanDerWaalsContact O-N 3.08Å; V165-P171 HydrophobicContact CG1-CB 3.72Å; V165-P171 HydrophobicContact CG1-CG 4.33Å; V165-V173 HydrophobicContact CG1-CB 4.33Å; V165-V173 HydrophobicContact CG1-CG2 3.84Å; V165-V173 HydrophobicContact CG2-CG1 4.28Å; V165-V173 HydrophobicContact CG2-CG2 4.14Å; V165-I190 HydrophobicContact CB-CD1 3.83Å; V165-I190 HydrophobicContact CB-CG1 4.09Å; V165-I190 HydrophobicContact CG1-CD1 3.7Å; V165-I190 HydrophobicContact CG1-CG1 4.15Å; V165-I190 HydrophobicContact CG1-CG2 4.15Å; V165-I190 HydrophobicContact CG2-CD1 4.49Å; V165-L310 HydrophobicContact CG1-CD2 4.24Å; V165-F418 HydrophobicContact CG2-CD2 4.14Å; V165-F418 HydrophobicContact CG2-CE1 4.33Å; V165-F418 HydrophobicContact CG2-CE2 3.45Å; V165-F418 VanDerWaalsContact CG2-CE2 3.45Å; V165-F418 HydrophobicContact CG2-CZ 3.55Å |
| 166 | G | 92.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A162 Q193 Q194 | A162-G166 WeakPolarHBondContact O-CA 3.43Å; A162-G166 PolarHBondContact O-N 2.68Å; G166-Q193 PolarHBondContact O-OE1 3.33Å; G166-Q194 PolarHBondContact O-NE2 3.36Å |
| 167 | R | 87.7 | Confident | 92.3 | Very high | 106 Ų | 106 | 17.5 Ų | 17.5 | 40% | 0.4 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -13.6 | 172.4 | -69.7 | 176.2 | 170.3 | 173.9 | -0.8 | 114.8 | P143 H163 V165 | P143-R167 PolarHBondContact O-NH2 3.45Å; H163-R167 PolarHBondContact CE1-NH1 2.97Å; H163-R167 VanDerWaalsContact CE1-NH1 3.28Å; H163-R167 PolarHBondContact CE1-NH2 2.57Å; H163-R167 VanDerWaalsContact NE2-CZ 3.31Å; H163-R167 PolarHBondContact NE2-NH1 3.2Å; H163-R167 PolarHBondContact NE2-NH2 2.87Å; V165-R167 PolarHBondContact O-N 3.46Å; V165-R167 VanDerWaalsContact O-N 3.1Å |
| 168 | R | 88.6 | Confident | 92 | Very high | 43 Ų | 43 | 18.5 Ų | 18.5 | 16% | 0.162 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -72.6 | 150.8 | -176.4 | -59.7 | -179.8 | -170 | 178.4 | -2 | 110.2 | D164 V165 A170 P171 Q194 R415 | D164-R168 WeakPolarHBondContact O-CG 3.5Å; D164-R168 PolarHBondContact O-NE 3.46Å; V165-R168 WeakPolarHBondContact O-CB 3.5Å; V165-R168 PolarHBondContact O-N 3.33Å; V165-R168 VanDerWaalsContact O-N 3.08Å; R168-A170 PolarHBondContact O-N 2.71Å; R168-P171 HydrophobicContact CB-CB 4.32Å; R168-Q194 PolarHBondContact O-NE2 3.35Å; R168-R415 VanDerWaalsContact NH1-CG 3.26Å; R168-R415 PolarHBondContact NH1-O 3.39Å |
| 169 | H | 88.5 | Confident | 91.5 | Very high | 89 Ų | 89 | 19.9 Ų | 19.9 | 41% | 0.412 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -71.3 | 126.1 | 169 | 178.6 | 69.2 | 0 | 0 | 0 | 109.4 | ||
| 170 | A | 91.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 20.4 Ų | 20.4 | 10% | 0.099 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 44.2 | 61.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R168 R172 P307 R932 | R168-A170 PolarHBondContact O-N 2.71Å; A170-R172 PolarHBondContact O-N 2.95Å; A170-P307 HydrophobicContact CB-CB 3.72Å; A170-R932 PolarHBondContact O-NH1 3.33Å |
| 171 | P | 94.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | trans | -61.7 | 132.6 | -171.1 | 24.5 | -33 | 0 | 0 | 0 | 111.7 | V165 R168 L276 G308 V309 | V165-P171 HydrophobicContact CG1-CB 3.72Å; V165-P171 HydrophobicContact CG1-CG 4.33Å; R168-P171 HydrophobicContact CB-CB 4.32Å; P171-L276 HydrophobicContact CG-CD1 4.36Å; P171-G308 CarbonylContact O-C 3.53Å; P171-G308 WeakPolarHBondContact O-CA 3.39Å; P171-V309 PolarHBondContact O-N 2.96Å | ||
| 172 | R | 94.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 14% | 0.136 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 100.4 | 173.2 | -63.7 | -175.4 | 82.2 | 104.4 | -9.1 | 109.9 | A170 A303 V306 P307 V309 L330 L331 | A170-R172 PolarHBondContact O-N 2.95Å; R172-A303 PolarHBondContact NH1-O 3.3Å; R172-A303 VanDerWaalsContact NH1-O 3.09Å; R172-A303 PolarHBondContact NH2-O 2.8Å; R172-V306 PolarHBondContact NH1-O 3.29Å; R172-P307 WeakPolarHBondContact CD-O 3.44Å; R172-P307 PolarHBondContact NH1-O 3.01Å; R172-V309 CarbonylContact C-O 3.55Å; R172-V309 WeakPolarHBondContact CA-O 3.36Å; R172-V309 HydrophobicContact CG-CB 4.28Å; R172-V309 VanDerWaalsContact CZ-CG2 3.44Å; R172-L330 PolarHBondContact NH2-O 2.81Å; R172-L331 HydrophobicContact CB-CB 4.37Å; R172-L331 HydrophobicContact CB-CD2 4.22Å; R172-L331 VanDerWaalsContact CD-O 3.26Å; R172-L331 WeakPolarHBondContact CD-O 3.25Å; R172-L331 PolarHBondContact NE-O 3.4Å |
| 173 | V | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 142.8 | -165.4 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | V165 L175 V309 L310 L311 V416 F418 | V165-V173 HydrophobicContact CG1-CB 4.33Å; V165-V173 HydrophobicContact CG1-CG2 3.84Å; V165-V173 HydrophobicContact CG2-CG1 4.28Å; V165-V173 HydrophobicContact CG2-CG2 4.14Å; V173-L175 HydrophobicContact CG1-CD2 3.93Å; V173-L175 HydrophobicContact CG1-CG 4.49Å; V173-V309 PolarHBondContact N-O 3.07Å; V173-L310 HydrophobicContact CB-CD2 4.08Å; V173-L310 WeakPolarHBondContact O-CA 3.35Å; V173-L311 PolarHBondContact O-N 3.32Å; V173-V416 CarbonylContact C-O 3.3Å; V173-V416 WeakPolarHBondContact CA-O 3.45Å; V173-F418 HydrophobicContact CG1-CD2 3.33Å; V173-F418 HydrophobicContact CG1-CE2 3.56Å; V173-F418 HydrophobicContact CG2-CE2 4.17Å |
| 174 | L | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 111.9 | 169.3 | -177.1 | 59.9 | 0 | 0 | 0 | 109.2 | A176 L311 T313 R327 L328 L331 V416 L417 F418 | L174-A176 HydrophobicContact CG-CB 4.39Å; L174-L311 CarbonylContact C-O 3.59Å; L174-L311 WeakPolarHBondContact CA-O 3.44Å; L174-L311 HydrophobicContact CD1-CB 3.52Å; L174-T313 HydrophobicContact CD1-CG2 3.6Å; L174-T313 HydrophobicContact CD2-CG2 4.47Å; L174-T313 HydrophobicContact CG-CG2 4.16Å; L174-R327 HydrophobicContact CD2-CB 4.28Å; L174-L328 HydrophobicContact CD2-CD2 4.35Å; L174-L331 HydrophobicContact CB-CD1 3.78Å; L174-V416 PolarHBondContact N-O 3.1Å; L174-L417 HydrophobicContact CB-CD1 3.92Å; L174-L417 HydrophobicContact CD2-CD1 3.74Å; L174-L417 HydrophobicContact CG-CD1 3.71Å; L174-L417 WeakPolarHBondContact O-CA 3.21Å; L174-L417 WeakPolarHBondContact O-CD1 3.22Å; L174-F418 PolarHBondContact O-N 3.18Å |
| 175 | L | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 104.8 | 170.8 | -58.9 | -178.6 | 0 | 0 | 0 | 108.5 | I161 V173 K183 E186 A187 I190 L311 L312 T313 F418 | I161-L175 HydrophobicContact CG2-CD2 3.6Å; V173-L175 HydrophobicContact CG1-CD2 3.93Å; V173-L175 HydrophobicContact CG1-CG 4.49Å; L175-K183 WeakPolarHBondContact O-CD 3.34Å; L175-E186 HydrophobicContact CD1-CB 4Å; L175-A187 HydrophobicContact CD1-CB 4.22Å; L175-I190 HydrophobicContact CD1-CD1 4.2Å; L175-L311 PolarHBondContact N-O 3.03Å; L175-L312 HydrophobicContact CB-CG 4.18Å; L175-L312 HydrophobicContact CD1-CD1 4.12Å; L175-L312 HydrophobicContact CD1-CG 4.21Å; L175-L312 WeakPolarHBondContact O-CA 3.3Å; L175-T313 PolarHBondContact O-N 2.85Å; L175-F418 HydrophobicContact CD2-CB 4.23Å; L175-F418 HydrophobicContact CD2-CD2 4.47Å |
| 176 | A | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -114.2 | 20.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L174 T313 P316 L417 F418 R419 | L174-A176 HydrophobicContact CG-CB 4.39Å; A176-T313 CarbonylContact C-O 3.54Å; A176-T313 WeakPolarHBondContact CA-O 3.42Å; A176-T313 HydrophobicContact CB-CG2 3.91Å; A176-P316 HydrophobicContact CB-CB 4.18Å; A176-P316 HydrophobicContact CB-CG 4.11Å; A176-L417 HydrophobicContact CB-CD1 3.42Å; A176-L417 VanDerWaalsContact CB-CD1 3.42Å; A176-F418 WeakPolarHBondContact CA-O 3.46Å; A176-F418 WeakPolarHBondContact CB-O 3.48Å; A176-F418 PolarHBondContact N-O 3.13Å; A176-R419 HydrophobicContact CB-CB 4.24Å; A176-R419 PolarHBondContact O-NH1 3.36Å | ||
| 177 | D | 89.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 141.1 | 178.4 | -78.6 | 23.7 | 0 | 0 | 0 | 111 | H157 L181 K183 R419 N420 | H157-D177 IonicContact CD2-OD2 3.58Å; D177-L181 HydrophobicContact CB-CB 3.97Å; D177-L181 HydrophobicContact CB-CD1 4.12Å; D177-K183 HydrophobicContact CB-CD 4.42Å; D177-K183 HydrophobicContact CB-CG 3.82Å; D177-K183 WeakPolarHBondContact O-CD 3.25Å; D177-K183 PolarHBondContact O-NZ 3.48Å; D177-R419 WeakPolarHBondContact OD1-CA 3.49Å; D177-N420 PolarHBondContact OD1-N 2.83Å; D177-N420 PolarHBondContact OD1-ND2 2.81Å; D177-N420 WeakPolarHBondContact OD2-CB 3.42Å; D177-N420 PolarHBondContact OD2-ND2 3.44Å |
| 178 | E | 84.3 | Confident | 91 | Very high | 25 Ų | 25 | 15.6 Ų | 15.6 | 12% | 0.117 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -54.1 | 159.7 | 179.8 | -161.3 | 173.6 | -177.6 | 0 | 0 | 113 | G180 L181 N420 R422 T635 | E178-G180 PolarHBondContact O-N 2.99Å; E178-L181 HydrophobicContact CB-CD1 3.76Å; E178-L181 WeakPolarHBondContact O-CB 3.31Å; E178-L181 PolarHBondContact O-N 2.81Å; E178-N420 PolarHBondContact N-O 3.04Å; E178-R422 WeakPolarHBondContact OE2-CB 3.44Å; E178-R422 WeakPolarHBondContact OE2-CG 3.42Å; E178-R422 PolarHBondContact OE2-N 3.4Å; E178-T635 WeakPolarHBondContact OE1-CB 3.38Å; E178-T635 WeakPolarHBondContact OE1-CG2 3.33Å; E178-T635 PolarHBondContact OE1-OG1 2.95Å |
| 179 | V | 82.2 | Confident | 91.4 | Very high | 34 Ų | 34 | 13.6 Ų | 13.6 | 21% | 0.206 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.1 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | A314 R422 | V179-A314 HydrophobicContact CG2-CB 3.44Å; V179-A314 VanDerWaalsContact CG2-CB 3.44Å; V179-R422 PolarHBondContact O-NE 2.92Å; V179-R422 PolarHBondContact O-NH2 2.99Å |
| 180 | G | 81.4 | Confident | 91.8 | Very high | 12 Ų | 12 | 9.3 Ų | 9.3 | 12% | 0.124 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -0.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E178 R599 I600 | E178-G180 PolarHBondContact O-N 2.99Å; G180-R599 WeakPolarHBondContact O-CA 3.42Å; G180-I600 PolarHBondContact O-N 2.95Å |
| 181 | L | 85.9 | Confident | 92 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -83.2 | -14.6 | 176 | -77.5 | 171.4 | 0 | 0 | 0 | 114.9 | Q158 D177 E178 N420 V425 F428 | Q158-L181 PolarHBondContact NE2-O 3.45Å; D177-L181 HydrophobicContact CB-CB 3.97Å; D177-L181 HydrophobicContact CB-CD1 4.12Å; E178-L181 HydrophobicContact CB-CD1 3.76Å; E178-L181 WeakPolarHBondContact O-CB 3.31Å; E178-L181 PolarHBondContact O-N 2.81Å; L181-N420 HydrophobicContact CD1-CB 4.03Å; L181-N420 WeakPolarHBondContact CD1-O 3.38Å; L181-V425 HydrophobicContact CD2-CB 3.86Å; L181-V425 HydrophobicContact CD2-CG1 3.9Å; L181-V425 HydrophobicContact CD2-CG2 3.96Å; L181-F428 HydrophobicContact CD2-CE2 3.55Å; L181-F428 HydrophobicContact CD2-CZ 3.55Å; L181-F428 HydrophobicContact CG-CE2 4.45Å; L181-F428 HydrophobicContact CG-CZ 4.07Å |
| 182 | G | 88.6 | Confident | 92.1 | Very high | 21 Ų | 21 | 9 Ų | 9 | 22% | 0.216 | 5% | 0.053 | C | C | . | . | trans | 101.2 | 32.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | T184 I185 E186 | G182-T184 VanDerWaalsContact C-N 3.25Å; G182-T184 PolarHBondContact O-N 2.85Å; G182-T184 VanDerWaalsContact O-N 3.12Å; G182-I185 WeakPolarHBondContact O-CA 3.21Å; G182-I185 VanDerWaalsContact O-CB 3.25Å; G182-I185 WeakPolarHBondContact O-CB 3.5Å; G182-I185 PolarHBondContact O-N 2.69Å; G182-E186 PolarHBondContact O-N 3.41Å | ||
| 183 | K | 91.9 | Very high | 92.1 | Very high | 19 Ų | 19 | 7.7 Ų | 7.7 | 8% | 0.083 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -43.9 | -43.1 | 172.8 | -67.1 | -175.7 | -68 | -67.6 | 0 | 115.6 | L175 D177 I185 E186 A187 L312 T313 | L175-K183 WeakPolarHBondContact O-CD 3.34Å; D177-K183 HydrophobicContact CB-CD 4.42Å; D177-K183 HydrophobicContact CB-CG 3.82Å; D177-K183 WeakPolarHBondContact O-CD 3.25Å; D177-K183 PolarHBondContact O-NZ 3.48Å; K183-I185 PolarHBondContact O-N 3.09Å; K183-E186 WeakPolarHBondContact O-CB 3.47Å; K183-E186 PolarHBondContact O-N 3.16Å; K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.44Å; K183-L312 HydrophobicContact CB-CD2 4.03Å; K183-L312 HydrophobicContact CB-CG 4.27Å; K183-T313 WeakPolarHBondContact CD-O 3.28Å; K183-T313 VanDerWaalsContact CE-C 3.48Å; K183-T313 VanDerWaalsContact CE-O 3.31Å; K183-T313 WeakPolarHBondContact CE-O 3.43Å |
| 184 | T | 92.2 | Very high | 92.1 | Very high | 21 Ų | 21 | 7.9 Ų | 7.9 | 13% | 0.129 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.2 | -33.9 | 177.3 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | G182 G188 W215 E218 M219 | G182-T184 VanDerWaalsContact C-N 3.25Å; G182-T184 PolarHBondContact O-N 2.85Å; G182-T184 VanDerWaalsContact O-N 3.12Å; T184-G188 PolarHBondContact O-N 2.81Å; T184-W215 HydrophobicContact CG2-CD2 4Å; T184-W215 HydrophobicContact CG2-CE3 4.21Å; T184-W215 HydrophobicContact CG2-CH2 4.06Å; T184-W215 HydrophobicContact CG2-CZ2 3.81Å; T184-W215 HydrophobicContact CG2-CZ3 4.25Å; T184-E218 WeakPolarHBondContact CG2-OE2 3.46Å; T184-M219 HydrophobicContact CG2-CE 4.46Å |
| 185 | I | 93 | Very high | 92 | Very high | 11 Ų | 11 | 9.7 Ų | 9.7 | 6% | 0.056 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -74.4 | -41.8 | 176.6 | -57.4 | -51.4 | 0 | 0 | 0 | 111.3 | T152 G182 K183 G188 M189 F223 | T152-I185 HydrophobicContact CG2-CD1 4.39Å; T152-I185 HydrophobicContact CG2-CG2 3.85Å; G182-I185 WeakPolarHBondContact O-CA 3.21Å; G182-I185 VanDerWaalsContact O-CB 3.25Å; G182-I185 WeakPolarHBondContact O-CB 3.5Å; G182-I185 PolarHBondContact O-N 2.69Å; K183-I185 PolarHBondContact O-N 3.09Å; I185-G188 PolarHBondContact O-N 3.24Å; I185-M189 HydrophobicContact CG2-CE 4.1Å; I185-M189 WeakPolarHBondContact O-CG 3.29Å; I185-M189 PolarHBondContact O-N 3.03Å; I185-F223 HydrophobicContact CD1-CE2 4.17Å; I185-F223 HydrophobicContact CD1-CZ 4.36Å; I185-F223 HydrophobicContact CG2-CZ 4.13Å; I185-F223 WeakPolarHBondContact O-CZ 3.15Å |
| 186 | E | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.9 | -49.9 | 171.8 | -68.2 | 155 | -152.9 | 0 | 0 | 111.1 | Q158 L175 G182 K183 G188 M189 I190 | Q158-E186 HydrophobicContact CB-CG 3.9Å; Q158-E186 HydrophobicContact CG-CG 4.03Å; L175-E186 HydrophobicContact CD1-CB 4Å; G182-E186 PolarHBondContact O-N 3.41Å; K183-E186 WeakPolarHBondContact O-CB 3.47Å; K183-E186 PolarHBondContact O-N 3.16Å; E186-G188 PolarHBondContact O-N 2.75Å; E186-M189 PolarHBondContact O-N 3.03Å; E186-I190 WeakPolarHBondContact O-CG1 3.46Å; E186-I190 PolarHBondContact O-N 3.43Å |
| 187 | A | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L175 K183 M189 I190 L191 W215 L312 | L175-A187 HydrophobicContact CD1-CB 4.22Å; K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.44Å; A187-M189 VanDerWaalsContact C-N 3.33Å; A187-M189 PolarHBondContact O-N 3.13Å; A187-I190 PolarHBondContact O-N 3.23Å; A187-L191 VanDerWaalsContact O-CG 3.27Å; A187-L191 WeakPolarHBondContact O-CG 3.17Å; A187-L191 PolarHBondContact O-N 2.82Å; A187-W215 HydrophobicContact CB-CH2 3.85Å; A187-W215 HydrophobicContact CB-CZ3 4.42Å; A187-L312 HydrophobicContact CB-CD1 4.16Å; A187-L312 HydrophobicContact CB-CD2 3.89Å |
| 188 | G | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.5 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T184 I185 E186 L191 H192 | T184-G188 PolarHBondContact O-N 2.81Å; I185-G188 PolarHBondContact O-N 3.24Å; E186-G188 PolarHBondContact O-N 2.75Å; G188-L191 PolarHBondContact O-N 2.71Å; G188-H192 VanDerWaalsContact O-CB 3.25Å; G188-H192 WeakPolarHBondContact O-CB 3.21Å; G188-H192 PolarHBondContact O-N 3.48Å |
| 189 | M | 97 | Very high | 91.5 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 175.3 | -74.5 | -172.8 | -69.8 | 0 | 0 | 112.2 | L147 Q150 Q158 L159 A162 I185 E186 A187 H192 Q193 F223 | L147-M189 HydrophobicContact CD2-CB 3.93Å; L147-M189 HydrophobicContact CD2-CG 4.46Å; L147-M189 HydrophobicContact CD2-SD 4.46Å; Q150-M189 HydrophobicContact CG-CG 4.28Å; Q150-M189 HydrophobicContact CG-SD 4.39Å; Q158-M189 HydrophobicContact CB-CE 3.53Å; Q158-M189 WeakPolarHBondContact O-CE 3.45Å; L159-M189 HydrophobicContact CD2-SD 3.91Å; A162-M189 HydrophobicContact CB-CB 3.49Å; A162-M189 VanDerWaalsContact CB-CB 3.49Å; A162-M189 HydrophobicContact CB-CE 4.04Å; A162-M189 HydrophobicContact CB-CG 4.46Å; A162-M189 HydrophobicContact CB-SD 4.26Å; I185-M189 HydrophobicContact CG2-CE 4.1Å; I185-M189 WeakPolarHBondContact O-CG 3.29Å; I185-M189 PolarHBondContact O-N 3.03Å; E186-M189 PolarHBondContact O-N 3.03Å; A187-M189 VanDerWaalsContact C-N 3.33Å; A187-M189 PolarHBondContact O-N 3.13Å; M189-H192 PolarHBondContact O-N 2.89Å; M189-Q193 WeakPolarHBondContact O-CB 3.43Å; M189-Q193 PolarHBondContact O-N 3.4Å; M189-F223 HydrophobicContact CB-CE1 4.34Å; M189-F223 HydrophobicContact CG-CE1 3.64Å; M189-F223 HydrophobicContact CG-CZ 4.17Å |
| 190 | I | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.7 | -67.2 | 161.6 | 0 | 0 | 0 | 110.3 | A162 V165 L175 E186 A187 H192 Q193 Q194 L310 | A162-I190 HydrophobicContact CB-CG1 4.24Å; V165-I190 HydrophobicContact CB-CD1 3.83Å; V165-I190 HydrophobicContact CB-CG1 4.09Å; V165-I190 HydrophobicContact CG1-CD1 3.7Å; V165-I190 HydrophobicContact CG1-CG1 4.15Å; V165-I190 HydrophobicContact CG1-CG2 4.15Å; V165-I190 HydrophobicContact CG2-CD1 4.49Å; L175-I190 HydrophobicContact CD1-CD1 4.2Å; E186-I190 WeakPolarHBondContact O-CG1 3.46Å; E186-I190 PolarHBondContact O-N 3.43Å; A187-I190 PolarHBondContact O-N 3.23Å; I190-H192 PolarHBondContact O-N 2.81Å; I190-Q193 PolarHBondContact O-N 2.73Å; I190-Q194 HydrophobicContact CG2-CG 4.36Å; I190-Q194 WeakPolarHBondContact O-CB 3.47Å; I190-Q194 VanDerWaalsContact O-CG 3.26Å; I190-Q194 WeakPolarHBondContact O-CG 3.13Å; I190-Q194 PolarHBondContact O-N 2.96Å; I190-L310 HydrophobicContact CB-CD1 4.21Å; I190-L310 HydrophobicContact CD1-CD1 4.36Å; I190-L310 HydrophobicContact CG2-CD1 3.72Å |
| 191 | L | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 176.8 | -70.1 | -178.6 | 0 | 0 | 0 | 111.3 | A187 G188 Q193 Q194 L195 V203 I205 M219 L225 F227 L276 V278 | A187-L191 VanDerWaalsContact O-CG 3.27Å; A187-L191 WeakPolarHBondContact O-CG 3.17Å; A187-L191 PolarHBondContact O-N 2.82Å; G188-L191 PolarHBondContact O-N 2.71Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-Q193 PolarHBondContact O-N 2.97Å; L191-Q194 PolarHBondContact O-N 3.29Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.43Å; L191-L195 PolarHBondContact O-N 3.23Å; L191-V203 HydrophobicContact CD1-CG1 4.41Å; L191-V203 HydrophobicContact CD2-CG1 3.6Å; L191-V203 HydrophobicContact CD2-CG2 4.28Å; L191-I205 HydrophobicContact CD1-CD1 3.87Å; L191-M219 HydrophobicContact CD1-SD 4.04Å; L191-L225 HydrophobicContact CB-CD1 4.22Å; L191-F227 HydrophobicContact CD1-CZ 4.17Å; L191-L276 HydrophobicContact CD2-CD2 3.4Å; L191-L276 HydrophobicContact CD2-CG 4.12Å; L191-V278 HydrophobicContact CD1-CG2 4.27Å; L191-V278 HydrophobicContact CD2-CG2 3.94Å; L191-V278 HydrophobicContact CG-CG2 4.43Å |
| 192 | H | 95.9 | Very high | 93 | Very high | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | -179.4 | -173.9 | -117.8 | 0 | 0 | 0 | 111.5 | G146 G188 M189 I190 L196 F223 E780 | G146-H192 PolarHBondContact O-ND1 3.47Å; G188-H192 VanDerWaalsContact O-CB 3.25Å; G188-H192 WeakPolarHBondContact O-CB 3.21Å; G188-H192 PolarHBondContact O-N 3.48Å; M189-H192 PolarHBondContact O-N 2.89Å; I190-H192 PolarHBondContact O-N 2.81Å; H192-L196 WeakPolarHBondContact CE1-CD1 3.27Å; H192-L196 WeakPolarHBondContact NE2-CD1 3.5Å; H192-L196 VanDerWaalsContact O-CB 3.28Å; H192-L196 WeakPolarHBondContact O-CB 3Å; H192-L196 VanDerWaalsContact O-CG 3.3Å; H192-L196 WeakPolarHBondContact O-CG 3.33Å; H192-L196 PolarHBondContact O-N 2.94Å; H192-F223 HydrophobicContact CB-CD1 4.1Å; H192-E780 IonicContact CE1-OE2 2.94Å; H192-E780 PolarHBondContact CE1-OE2 2.84Å |
| 193 | Q | 93.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 176.3 | -174.7 | 169.5 | 56.5 | 0 | 0 | 113 | S145 A162 G166 M189 I190 L191 S197 | S145-Q193 PolarHBondContact O-NE2 3.28Å; A162-Q193 PolarHBondContact O-OE1 3.1Å; G166-Q193 PolarHBondContact O-OE1 3.33Å; M189-Q193 WeakPolarHBondContact O-CB 3.43Å; M189-Q193 PolarHBondContact O-N 3.4Å; I190-Q193 PolarHBondContact O-N 2.73Å; L191-Q193 VanDerWaalsContact C-N 3.33Å; L191-Q193 PolarHBondContact O-N 2.97Å; Q193-S197 WeakPolarHBondContact O-CB 3.41Å; Q193-S197 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-OG 3.32Å |
| 194 | Q | 94.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.019 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 178.5 | -71.8 | -82.6 | -31.2 | 0 | 0 | 111.9 | G166 R168 I190 L191 S197 G198 A199 A200 L276 | G166-Q194 PolarHBondContact O-NE2 3.36Å; R168-Q194 PolarHBondContact O-NE2 3.35Å; I190-Q194 HydrophobicContact CG2-CG 4.36Å; I190-Q194 WeakPolarHBondContact O-CB 3.47Å; I190-Q194 VanDerWaalsContact O-CG 3.26Å; I190-Q194 WeakPolarHBondContact O-CG 3.13Å; I190-Q194 PolarHBondContact O-N 2.96Å; L191-Q194 PolarHBondContact O-N 3.29Å; Q194-S197 PolarHBondContact O-OG 2.77Å; Q194-S197 VanDerWaalsContact O-OG 3.14Å; Q194-G198 PolarHBondContact O-N 3.41Å; Q194-G198 VanDerWaalsContact O-N 3.12Å; Q194-A199 PolarHBondContact O-N 3Å; Q194-A200 HydrophobicContact CB-CB 4.01Å; Q194-A200 PolarHBondContact O-N 2.83Å; Q194-L276 HydrophobicContact CG-CD2 4.45Å |
| 195 | L | 93.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 14.3 Ų | 14.3 | 20% | 0.199 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | 177.6 | -71.1 | 167.2 | 0 | 0 | 0 | 112.4 | L191 G198 A200 V203 L225 L251 | L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.43Å; L191-L195 PolarHBondContact O-N 3.23Å; L195-G198 PolarHBondContact O-N 3.43Å; L195-A200 WeakPolarHBondContact CA-O 3.26Å; L195-V203 HydrophobicContact CD1-CG2 4.5Å; L195-V203 HydrophobicContact CD2-CG2 3.99Å; L195-V203 HydrophobicContact CG-CG2 4.39Å; L195-L225 HydrophobicContact CD1-CD1 3.85Å; L195-L225 HydrophobicContact CD1-CD2 3.66Å; L195-L225 HydrophobicContact CD1-CG 4.38Å; L195-L251 HydrophobicContact CD1-CD1 4.44Å; L195-L251 HydrophobicContact CD1-CD2 4.11Å; L195-L251 HydrophobicContact CD2-CD2 3.85Å |
| 196 | L | 88.7 | Confident | 94.3 | Very high | 36 Ų | 36 | 13.8 Ų | 13.8 | 19% | 0.188 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68 | -36.7 | 178.9 | -79.8 | 174.9 | 0 | 0 | 0 | 112.9 | H192 G198 E780 R785 | H192-L196 WeakPolarHBondContact CE1-CD1 3.27Å; H192-L196 WeakPolarHBondContact NE2-CD1 3.5Å; H192-L196 VanDerWaalsContact O-CB 3.28Å; H192-L196 WeakPolarHBondContact O-CB 3Å; H192-L196 VanDerWaalsContact O-CG 3.3Å; H192-L196 WeakPolarHBondContact O-CG 3.33Å; H192-L196 PolarHBondContact O-N 2.94Å; L196-G198 VanDerWaalsContact C-N 3.26Å; L196-E780 HydrophobicContact CD1-CB 4.2Å; L196-E780 HydrophobicContact CD1-CG 4.11Å; L196-R785 VanDerWaalsContact CD2-CZ 3.49Å |
| 197 | S | 85.9 | Confident | 94.2 | Very high | 34 Ų | 34 | 13.9 Ų | 13.9 | 24% | 0.238 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -77.8 | -11.9 | 176.1 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | Q193 Q194 A199 Q831 | Q193-S197 WeakPolarHBondContact O-CB 3.41Å; Q193-S197 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-OG 3.32Å; Q194-S197 PolarHBondContact O-OG 2.77Å; Q194-S197 VanDerWaalsContact O-OG 3.14Å; S197-A199 PolarHBondContact O-N 3.35Å; S197-Q831 PolarHBondContact OG-NE2 3.03Å |
| 198 | G | 85.5 | Confident | 93.8 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 19.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q194 L195 L196 A200 Q829 | Q194-G198 PolarHBondContact O-N 3.41Å; Q194-G198 VanDerWaalsContact O-N 3.12Å; L195-G198 PolarHBondContact O-N 3.43Å; L196-G198 VanDerWaalsContact C-N 3.26Å; G198-A200 VanDerWaalsContact C-N 3.3Å; G198-Q829 WeakPolarHBondContact O-CG 3.17Å |
| 199 | A | 88.3 | Confident | 93.2 | Very high | 32 Ų | 32 | 20.9 Ų | 20.9 | 26% | 0.264 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -75.3 | -24.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q194 S197 | Q194-A199 PolarHBondContact O-N 3Å; S197-A199 PolarHBondContact O-N 3.35Å |
| 200 | A | 92.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | trans | -130.3 | 145.7 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q194 L195 G198 D275 L276 | Q194-A200 HydrophobicContact CB-CB 4.01Å; Q194-A200 PolarHBondContact O-N 2.83Å; L195-A200 WeakPolarHBondContact CA-O 3.26Å; G198-A200 VanDerWaalsContact C-N 3.3Å; A200-D275 HydrophobicContact CB-CB 3.79Å; A200-L276 HydrophobicContact CB-CB 4.47Å | ||
| 201 | E | 92 | Very high | 91.8 | Very high | 91 Ų | 91 | 23 Ų | 23 | 43% | 0.425 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -120.4 | -34.5 | 169.9 | -63.3 | -173.7 | -178.1 | 0 | 0 | 110.4 | D275 Q829 | E201-D275 PolarHBondContact N-OD2 2.93Å; E201-Q829 PolarHBondContact OE1-NE2 3.09Å |
| 202 | R | 96.3 | Very high | 91.3 | Very high | 30 Ų | 30 | 23.6 Ų | 23.6 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | trans | -111.5 | 120 | -178.1 | -68.9 | 179.8 | 66.6 | 68.2 | 0.1 | 112.1 | F246 D247 E249 Q250 A272 E273 W274 D275 L276 | R202-F246 PolarHBondContact NH2-O 3.06Å; R202-D247 IonicContact NH2-OD1 2.79Å; R202-E249 PolarHBondContact NH1-O 3.22Å; R202-Q250 VanDerWaalsContact CA-O 3.3Å; R202-Q250 WeakPolarHBondContact CA-O 3.21Å; R202-A272 PolarHBondContact NE-O 2.83Å; R202-A272 PolarHBondContact NH2-O 3.17Å; R202-E273 WeakPolarHBondContact CD-O 3.26Å; R202-E273 PolarHBondContact NE-O 3.37Å; R202-W274 HydrophobicContact CB-CE3 3.98Å; R202-D275 PolarHBondContact N-OD2 3.19Å; R202-D275 WeakPolarHBondContact O-CB 3.31Å; R202-D275 PolarHBondContact O-N 3Å; R202-L276 PolarHBondContact O-N 3.09Å | ||
| 203 | V | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.3 | -176.5 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | L191 L195 I205 F227 Q250 L251 V252 L276 | L191-V203 HydrophobicContact CD1-CG1 4.41Å; L191-V203 HydrophobicContact CD2-CG1 3.6Å; L191-V203 HydrophobicContact CD2-CG2 4.28Å; L195-V203 HydrophobicContact CD1-CG2 4.5Å; L195-V203 HydrophobicContact CD2-CG2 3.99Å; L195-V203 HydrophobicContact CG-CG2 4.39Å; V203-I205 HydrophobicContact CG1-CG1 4.15Å; V203-F227 HydrophobicContact CB-CE1 4.11Å; V203-F227 HydrophobicContact CB-CZ 4.26Å; V203-F227 HydrophobicContact CG1-CE1 3.97Å; V203-F227 HydrophobicContact CG1-CZ 4.03Å; V203-Q250 PolarHBondContact N-O 3.43Å; V203-L251 HydrophobicContact CB-CD2 3.82Å; V203-L251 HydrophobicContact CG2-CD2 3.86Å; V203-V252 PolarHBondContact O-N 3.07Å; V203-L276 WeakPolarHBondContact CA-O 3.46Å; V203-L276 HydrophobicContact CG2-CB 4.34Å |
| 204 | L | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.5 | 172.8 | 177.6 | 60.4 | 0 | 0 | 0 | 110.4 | I206 V252 L269 W274 L276 L277 V278 L302 | L204-I206 HydrophobicContact CD1-CG1 4.31Å; L204-I206 HydrophobicContact CD2-CD1 4.11Å; L204-I206 HydrophobicContact CD2-CG1 4.3Å; L204-I206 HydrophobicContact CG-CD1 4.42Å; L204-I206 HydrophobicContact CG-CG1 4.06Å; L204-V252 HydrophobicContact CD1-CB 4.22Å; L204-V252 HydrophobicContact CD1-CG1 3.93Å; L204-L269 HydrophobicContact CD1-CD2 4.03Å; L204-L269 HydrophobicContact CD2-CD2 3.98Å; L204-W274 HydrophobicContact CB-CD2 3.66Å; L204-W274 HydrophobicContact CB-CE3 3.87Å; L204-W274 HydrophobicContact CB-CG 3.97Å; L204-W274 HydrophobicContact CB-CZ2 4.39Å; L204-W274 HydrophobicContact CB-CZ3 4.36Å; L204-W274 HydrophobicContact CD1-CZ2 4.27Å; L204-W274 HydrophobicContact CD2-CD2 4.45Å; L204-W274 HydrophobicContact CD2-CG 4.47Å; L204-L276 PolarHBondContact N-O 3.47Å; L204-L277 HydrophobicContact CB-CD1 4.28Å; L204-L277 HydrophobicContact CD2-CD1 3.99Å; L204-L277 HydrophobicContact CG-CD1 3.97Å; L204-L277 CarbonylContact O-C 3.48Å; L204-L277 WeakPolarHBondContact O-CA 3.46Å; L204-V278 PolarHBondContact O-N 2.92Å; L204-L302 HydrophobicContact CD2-CD2 4.39Å |
| 205 | I | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.4 | 175.6 | -60.6 | -176.2 | 0 | 0 | 0 | 108.6 | L191 V203 V207 W215 M219 F227 V252 I253 C254 V278 | L191-I205 HydrophobicContact CD1-CD1 3.87Å; V203-I205 HydrophobicContact CG1-CG1 4.15Å; I205-V207 HydrophobicContact CG2-CG1 3.64Å; I205-W215 HydrophobicContact CD1-CE3 3.73Å; I205-W215 HydrophobicContact CD1-CZ3 3.9Å; I205-W215 HydrophobicContact CG2-CD2 4.02Å; I205-W215 HydrophobicContact CG2-CE3 3.87Å; I205-W215 HydrophobicContact CG2-CG 4.44Å; I205-W215 HydrophobicContact CG2-CZ3 4.29Å; I205-M219 HydrophobicContact CD1-CG 4.46Å; I205-F227 HydrophobicContact CD1-CD1 3.92Å; I205-F227 HydrophobicContact CD1-CE1 3.37Å; I205-F227 HydrophobicContact CD1-CE2 4.04Å; I205-F227 HydrophobicContact CD1-CG 4.49Å; I205-F227 HydrophobicContact CD1-CZ 3.44Å; I205-F227 VanDerWaalsContact CD1-CZ 3.44Å; I205-F227 HydrophobicContact CG1-CD1 4.33Å; I205-F227 HydrophobicContact CG1-CE1 3.7Å; I205-F227 HydrophobicContact CG1-CZ 4.17Å; I205-V252 PolarHBondContact N-O 3.05Å; I205-I253 HydrophobicContact CB-CB 4.49Å; I205-I253 HydrophobicContact CB-CG1 3.83Å; I205-I253 HydrophobicContact CD1-CG1 4.14Å; I205-I253 HydrophobicContact CG1-CG1 4.41Å; I205-I253 HydrophobicContact CG2-CG1 4.11Å; I205-I253 HydrophobicContact CG2-CG2 4.49Å; I205-I253 WeakPolarHBondContact O-CA 3.27Å; I205-C254 PolarHBondContact O-N 2.89Å; I205-V278 CarbonylContact C-O 3.57Å; I205-V278 WeakPolarHBondContact CA-O 3.46Å; I205-V278 HydrophobicContact CG1-CB 4.06Å; I205-V278 HydrophobicContact CG1-CG2 4.2Å |
| 206 | I | 97.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.8 | 176.2 | -61.1 | -174.7 | 0 | 0 | 0 | 109.5 | L204 C254 L256 L277 V278 V279 D280 I299 L302 | L204-I206 HydrophobicContact CD1-CG1 4.31Å; L204-I206 HydrophobicContact CD2-CD1 4.11Å; L204-I206 HydrophobicContact CD2-CG1 4.3Å; L204-I206 HydrophobicContact CG-CD1 4.42Å; L204-I206 HydrophobicContact CG-CG1 4.06Å; I206-C254 WeakPolarHBondContact CA-O 3.44Å; I206-L256 HydrophobicContact CG2-CB 3.68Å; I206-L256 HydrophobicContact CG2-CD1 4.09Å; I206-L256 HydrophobicContact CG2-CG 4.41Å; I206-L277 HydrophobicContact CD1-CD1 4.04Å; I206-L277 HydrophobicContact CG1-CD1 4.07Å; I206-V278 PolarHBondContact N-O 3.22Å; I206-V279 WeakPolarHBondContact O-CA 3.45Å; I206-D280 PolarHBondContact O-N 2.7Å; I206-D280 VanDerWaalsContact O-N 3.12Å; I206-I299 HydrophobicContact CB-CD1 4.45Å; I206-I299 HydrophobicContact CD1-CD1 3.9Å; I206-I299 HydrophobicContact CG2-CD1 4.11Å; I206-L302 HydrophobicContact CD1-CD1 3.33Å |
| 207 | V | 94.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.6 | -176.3 | -60 | 0 | 0 | 0 | 0 | 111.1 | I205 L211 Q212 W215 I253 C254 S255 L256 D280 | I205-V207 HydrophobicContact CG2-CG1 3.64Å; V207-L211 HydrophobicContact CB-CB 4.23Å; V207-L211 HydrophobicContact CG2-CB 4.33Å; V207-Q212 HydrophobicContact CG2-CB 4.19Å; V207-Q212 HydrophobicContact CG2-CG 3.56Å; V207-W215 HydrophobicContact CG1-CD2 4.23Å; V207-W215 HydrophobicContact CG1-CG 4.05Å; V207-I253 HydrophobicContact CG2-CG2 4.19Å; V207-C254 PolarHBondContact N-O 2.93Å; V207-C254 VanDerWaalsContact N-O 3.16Å; V207-S255 WeakPolarHBondContact O-CA 3.38Å; V207-L256 PolarHBondContact O-N 3.21Å; V207-D280 HydrophobicContact CB-CB 4.34Å; V207-D280 HydrophobicContact CG1-CB 3.64Å |
| 208 | P | 88.6 | Confident | 89.7 | Confident | 33 Ų | 33 | 24.3 Ų | 24.3 | 21% | 0.214 | 13% | 0.128 | C | C | . | . | trans | -53.9 | 147.9 | 164.5 | -25.5 | 34.3 | 0 | 0 | 0 | 111.5 | T210 L211 Q212 E281 | P208-T210 PolarHBondContact O-N 3.36Å; P208-L211 HydrophobicContact CB-CG 4.37Å; P208-L211 HydrophobicContact CG-CD1 4.19Å; P208-L211 HydrophobicContact CG-CG 4.45Å; P208-L211 PolarHBondContact O-N 2.64Å; P208-Q212 PolarHBondContact O-N 2.81Å; P208-E281 HydrophobicContact CG-CB 3.95Å; P208-E281 HydrophobicContact CG-CG 4.09Å | ||
| 209 | E | 84.4 | Confident | 90.2 | Very high | 113 Ų | 113 | 24.1 Ų | 24.1 | 53% | 0.528 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33 | -177.1 | -175.6 | 174.5 | 177.2 | 0 | 0 | 112.5 | L211 Q212 | E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.01Å; E209-Q212 PolarHBondContact O-NE2 2.88Å |
| 210 | T | 78.3 | Confident | 90.3 | Very high | 39 Ų | 39 | 26.3 Ų | 26.3 | 24% | 0.239 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.2 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | P208 I565 E568 | P208-T210 PolarHBondContact O-N 3.36Å; T210-I565 HydrophobicContact CG2-CD1 3.32Å; T210-E568 VanDerWaalsContact CB-OE2 3.23Å; T210-E568 WeakPolarHBondContact CB-OE2 3.35Å; T210-E568 WeakPolarHBondContact CG2-OE2 3.36Å; T210-E568 PolarHBondContact OG1-OE2 3.44Å |
| 211 | L | 86.3 | Confident | 90 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -14 | -177.2 | -59.4 | -170.7 | 0 | 0 | 0 | 113.8 | V207 P208 E209 H213 Q214 W215 E281 E568 | V207-L211 HydrophobicContact CB-CB 4.23Å; V207-L211 HydrophobicContact CG2-CB 4.33Å; P208-L211 HydrophobicContact CB-CG 4.37Å; P208-L211 HydrophobicContact CG-CD1 4.19Å; P208-L211 HydrophobicContact CG-CG 4.45Å; P208-L211 PolarHBondContact O-N 2.64Å; E209-L211 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.01Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 3.45Å; L211-Q214 WeakPolarHBondContact O-CA 3.47Å; L211-Q214 VanDerWaalsContact O-CB 3.29Å; L211-Q214 WeakPolarHBondContact O-CB 3.29Å; L211-Q214 PolarHBondContact O-N 3.34Å; L211-W215 PolarHBondContact O-N 2.81Å; L211-E281 HydrophobicContact CD1-CG 3.7Å; L211-E568 HydrophobicContact CD2-CB 4.47Å |
| 212 | Q | 87.2 | Confident | 89.9 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -50.5 | -48.2 | -175.2 | -72.4 | -177.2 | 91.6 | 0 | 0 | 113.8 | V207 P208 E209 W215 L216 L229 I253 | V207-Q212 HydrophobicContact CG2-CB 4.19Å; V207-Q212 HydrophobicContact CG2-CG 3.56Å; P208-Q212 PolarHBondContact O-N 2.81Å; E209-Q212 PolarHBondContact O-NE2 2.88Å; Q212-W215 PolarHBondContact O-N 3.38Å; Q212-L216 WeakPolarHBondContact O-CB 3.49Å; Q212-L216 PolarHBondContact O-N 2.82Å; Q212-L229 HydrophobicContact CB-CD1 3.73Å; Q212-L229 HydrophobicContact CG-CD1 4.16Å; Q212-L229 VanDerWaalsContact OE1-CD1 3.24Å; Q212-I253 HydrophobicContact CB-CG2 4.21Å; Q212-I253 HydrophobicContact CG-CG2 4.18Å |
| 213 | H | 81 | Confident | 89.8 | Confident | 40 Ų | 40 | 27.5 Ų | 27.5 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76.3 | -25.8 | 180 | -75.8 | 65.3 | 0 | 0 | 0 | 113.1 | L211 V217 L229 I540 R570 | L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 3.45Å; H213-V217 WeakPolarHBondContact O-CB 3.47Å; H213-V217 VanDerWaalsContact O-CG2 3.24Å; H213-V217 WeakPolarHBondContact O-CG2 3.32Å; H213-V217 PolarHBondContact O-N 2.89Å; H213-L229 WeakPolarHBondContact CE1-CD2 3.37Å; H213-I540 HydrophobicContact CB-CG2 3.51Å; H213-I540 WeakPolarHBondContact CD2-CG2 3.34Å; H213-I540 WeakPolarHBondContact CE1-CD1 2.87Å; H213-I540 WeakPolarHBondContact ND1-CD1 3.41Å; H213-R570 PolarHBondContact O-NH2 2.83Å; H213-R570 VanDerWaalsContact O-NH2 3.15Å |
| 214 | Q | 82.1 | Confident | 89.6 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -52.4 | 170.6 | -171.9 | -177.6 | -13.8 | 0 | 0 | 109.2 | L211 L216 V217 E218 G569 | L211-Q214 WeakPolarHBondContact O-CA 3.47Å; L211-Q214 VanDerWaalsContact O-CB 3.29Å; L211-Q214 WeakPolarHBondContact O-CB 3.29Å; L211-Q214 PolarHBondContact O-N 3.34Å; Q214-L216 PolarHBondContact O-N 3.13Å; Q214-V217 PolarHBondContact O-N 3.41Å; Q214-E218 HydrophobicContact CG-CG 4.34Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.45Å; Q214-E218 PolarHBondContact NE2-OE1 3.15Å; Q214-E218 WeakPolarHBondContact O-CB 3.22Å; Q214-E218 WeakPolarHBondContact O-CG 3.08Å; Q214-E218 PolarHBondContact O-N 3.38Å; Q214-G569 WeakPolarHBondContact CB-O 3.36Å; Q214-G569 VanDerWaalsContact CD-C 3.47Å; Q214-G569 WeakPolarHBondContact CG-O 3.42Å; Q214-G569 PolarHBondContact OE1-O 3.1Å |
| 215 | W | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.9 | -48.6 | 177.1 | -87.4 | 84.1 | 0 | 0 | 0 | 111.7 | T184 A187 I205 V207 L211 Q212 V217 E218 M219 I253 V278 D280 L312 | T184-W215 HydrophobicContact CG2-CD2 4Å; T184-W215 HydrophobicContact CG2-CE3 4.21Å; T184-W215 HydrophobicContact CG2-CH2 4.06Å; T184-W215 HydrophobicContact CG2-CZ2 3.81Å; T184-W215 HydrophobicContact CG2-CZ3 4.25Å; A187-W215 HydrophobicContact CB-CH2 3.85Å; A187-W215 HydrophobicContact CB-CZ3 4.42Å; I205-W215 HydrophobicContact CD1-CE3 3.73Å; I205-W215 HydrophobicContact CD1-CZ3 3.9Å; I205-W215 HydrophobicContact CG2-CD2 4.02Å; I205-W215 HydrophobicContact CG2-CE3 3.87Å; I205-W215 HydrophobicContact CG2-CG 4.44Å; I205-W215 HydrophobicContact CG2-CZ3 4.29Å; V207-W215 HydrophobicContact CG1-CD2 4.23Å; V207-W215 HydrophobicContact CG1-CG 4.05Å; L211-W215 PolarHBondContact O-N 2.81Å; Q212-W215 PolarHBondContact O-N 3.38Å; W215-V217 PolarHBondContact O-N 3.05Å; W215-E218 PolarHBondContact O-N 3.26Å; W215-M219 HydrophobicContact CE3-CE 4.1Å; W215-M219 HydrophobicContact CE3-CG 4.28Å; W215-M219 HydrophobicContact CE3-SD 4.42Å; W215-M219 HydrophobicContact CZ3-CE 4.16Å; W215-M219 HydrophobicContact CZ3-SD 4.47Å; W215-M219 VanDerWaalsContact O-CB 3.3Å; W215-M219 WeakPolarHBondContact O-CB 3.25Å; W215-M219 WeakPolarHBondContact O-CG 3.29Å; W215-M219 PolarHBondContact O-N 3.21Å; W215-I253 HydrophobicContact CB-CD1 4.07Å; W215-V278 HydrophobicContact CH2-CG1 3.65Å; W215-V278 HydrophobicContact CZ2-CG1 4.33Å; W215-V278 HydrophobicContact CZ3-CG1 4.19Å; W215-D280 HydrophobicContact CZ2-CB 3.87Å; W215-D280 WeakPolarHBondContact CZ2-OD2 3.17Å; W215-D280 PolarHBondContact NE1-OD2 2.68Å; W215-L312 HydrophobicContact CH2-CD2 3.83Å; W215-L312 HydrophobicContact CZ2-CD2 3.67Å |
| 216 | L | 89.9 | Confident | 89.1 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.9 | -49 | 177.5 | -178.1 | 64.7 | 0 | 0 | 0 | 112.1 | Q212 Q214 L220 F227 I253 | Q212-L216 WeakPolarHBondContact O-CB 3.49Å; Q212-L216 PolarHBondContact O-N 2.82Å; Q214-L216 PolarHBondContact O-N 3.13Å; L216-L220 VanDerWaalsContact O-CB 3.24Å; L216-L220 WeakPolarHBondContact O-CB 3.14Å; L216-L220 PolarHBondContact O-N 3.43Å; L216-F227 HydrophobicContact CD1-CB 4.06Å; L216-F227 WeakPolarHBondContact CD1-O 3.41Å; L216-I253 HydrophobicContact CB-CD1 4.04Å; L216-I253 HydrophobicContact CD1-CD1 4.28Å |
| 217 | V | 84.4 | Confident | 89 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -40.6 | -178.9 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | H213 Q214 W215 L220 R221 | H213-V217 WeakPolarHBondContact O-CB 3.47Å; H213-V217 VanDerWaalsContact O-CG2 3.24Å; H213-V217 WeakPolarHBondContact O-CG2 3.32Å; H213-V217 PolarHBondContact O-N 2.89Å; Q214-V217 PolarHBondContact O-N 3.41Å; W215-V217 PolarHBondContact O-N 3.05Å; V217-L220 PolarHBondContact O-N 3.41Å; V217-R221 HydrophobicContact CG1-CG 4.05Å; V217-R221 VanDerWaalsContact O-CB 3.25Å; V217-R221 WeakPolarHBondContact O-CB 3.24Å; V217-R221 WeakPolarHBondContact O-CG 3.4Å; V217-R221 PolarHBondContact O-N 2.96Å |
| 218 | E | 89.3 | Confident | 89.1 | Confident | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 178.1 | -73.9 | -169.5 | -160.4 | 0 | 0 | 111.5 | T184 Q214 W215 L220 R222 | T184-E218 WeakPolarHBondContact CG2-OE2 3.46Å; Q214-E218 HydrophobicContact CG-CG 4.34Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.45Å; Q214-E218 PolarHBondContact NE2-OE1 3.15Å; Q214-E218 WeakPolarHBondContact O-CB 3.22Å; Q214-E218 WeakPolarHBondContact O-CG 3.08Å; Q214-E218 PolarHBondContact O-N 3.38Å; W215-E218 PolarHBondContact O-N 3.26Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 3.19Å; E218-R222 WeakPolarHBondContact O-CA 3.29Å; E218-R222 WeakPolarHBondContact O-CB 3.38Å; E218-R222 PolarHBondContact O-N 3.48Å |
| 219 | M | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.6 | -69.1 | -51.9 | 100.8 | 0 | 0 | 111.3 | T184 L191 I205 W215 F223 N224 L225 F227 | T184-M219 HydrophobicContact CG2-CE 4.46Å; L191-M219 HydrophobicContact CD1-SD 4.04Å; I205-M219 HydrophobicContact CD1-CG 4.46Å; W215-M219 HydrophobicContact CE3-CE 4.1Å; W215-M219 HydrophobicContact CE3-CG 4.28Å; W215-M219 HydrophobicContact CE3-SD 4.42Å; W215-M219 HydrophobicContact CZ3-CE 4.16Å; W215-M219 HydrophobicContact CZ3-SD 4.47Å; W215-M219 VanDerWaalsContact O-CB 3.3Å; W215-M219 WeakPolarHBondContact O-CB 3.25Å; W215-M219 WeakPolarHBondContact O-CG 3.29Å; W215-M219 PolarHBondContact O-N 3.21Å; M219-F223 HydrophobicContact CE-CD2 3.69Å; M219-F223 HydrophobicContact CE-CE2 3.73Å; M219-F223 CarbonylContact O-C 3.45Å; M219-F223 WeakPolarHBondContact O-CA 3.39Å; M219-F223 WeakPolarHBondContact O-CB 3.29Å; M219-F223 PolarHBondContact O-N 3.26Å; M219-F223 HydrophobicContact SD-CD2 4.13Å; M219-N224 PolarHBondContact O-N 2.82Å; M219-N224 VanDerWaalsContact O-N 3.13Å; M219-L225 CarbonylContact C-O 3.6Å; M219-L225 HydrophobicContact CB-CB 4.17Å; M219-L225 PolarHBondContact O-N 3.32Å; M219-L225 HydrophobicContact SD-CD1 4.35Å; M219-F227 HydrophobicContact CB-CD2 3.68Å; M219-F227 HydrophobicContact CB-CE2 3.96Å; M219-F227 HydrophobicContact CG-CD2 3.81Å; M219-F227 HydrophobicContact CG-CE2 3.76Å; M219-F227 HydrophobicContact SD-CE2 4.27Å |
| 220 | L | 90.4 | Very high | 89.8 | Confident | 79 Ų | 79 | 35 Ų | 35 | 41% | 0.414 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.3 | -54.6 | 178.4 | -179.1 | 63.6 | 0 | 0 | 0 | 112.4 | L216 V217 E218 N224 L225 R226 | L216-L220 VanDerWaalsContact O-CB 3.24Å; L216-L220 WeakPolarHBondContact O-CB 3.14Å; L216-L220 PolarHBondContact O-N 3.43Å; V217-L220 PolarHBondContact O-N 3.41Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 3.19Å; L220-N224 WeakPolarHBondContact O-CA 3.16Å; L220-N224 PolarHBondContact O-N 3.47Å; L220-N224 VanDerWaalsContact O-N 3.09Å; L220-L225 WeakPolarHBondContact CA-O 3.35Å; L220-L225 PolarHBondContact N-O 3.17Å; L220-R226 HydrophobicContact CD1-CG 3.93Å |
| 221 | R | 86.6 | Confident | 90.4 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -79.6 | -31.6 | -170.2 | -67.4 | -172.9 | 178.3 | -176 | -3.1 | 113.7 | R151 V217 E772 | R151-R221 PolarHBondContact NE-O 3.18Å; V217-R221 HydrophobicContact CG1-CG 4.05Å; V217-R221 VanDerWaalsContact O-CB 3.25Å; V217-R221 WeakPolarHBondContact O-CB 3.24Å; V217-R221 WeakPolarHBondContact O-CG 3.4Å; V217-R221 PolarHBondContact O-N 2.96Å; R221-E772 IonicContact CZ-OE2 2.6Å; R221-E772 IonicContact NH1-OE1 3.4Å; R221-E772 IonicContact NH1-OE2 3.47Å; R221-E772 PolarHBondContact NH1-OE2 2.96Å |
| 222 | R | 91.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 39 Ų | 39 | 22% | 0.219 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -95.5 | -32 | -177.3 | -56 | -178.5 | -178.1 | -135.8 | 6.1 | 112.5 | Q150 R151 T152 E218 | Q150-R222 CarbonylContact C-O 3.35Å; Q150-R222 WeakPolarHBondContact CA-O 3Å; R151-R222 PolarHBondContact N-O 2.98Å; T152-R222 HydrophobicContact CG2-CB 4.15Å; T152-R222 HydrophobicContact CG2-CG 4.45Å; E218-R222 WeakPolarHBondContact O-CA 3.29Å; E218-R222 WeakPolarHBondContact O-CB 3.38Å; E218-R222 PolarHBondContact O-N 3.48Å |
| 223 | F | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -121 | -1.7 | -173 | -57.6 | -80.9 | 0 | 0 | 0 | 113.8 | Q150 T152 I185 M189 H192 M219 L225 | Q150-F223 HydrophobicContact CB-CD1 3.63Å; Q150-F223 HydrophobicContact CB-CE1 3.5Å; Q150-F223 HydrophobicContact CB-CZ 4.46Å; Q150-F223 HydrophobicContact CG-CE1 4.24Å; T152-F223 HydrophobicContact CG2-CZ 4.45Å; I185-F223 HydrophobicContact CD1-CE2 4.17Å; I185-F223 HydrophobicContact CD1-CZ 4.36Å; I185-F223 HydrophobicContact CG2-CZ 4.13Å; I185-F223 WeakPolarHBondContact O-CZ 3.15Å; M189-F223 HydrophobicContact CB-CE1 4.34Å; M189-F223 HydrophobicContact CG-CE1 3.64Å; M189-F223 HydrophobicContact CG-CZ 4.17Å; H192-F223 HydrophobicContact CB-CD1 4.1Å; M219-F223 HydrophobicContact CE-CD2 3.69Å; M219-F223 HydrophobicContact CE-CE2 3.73Å; M219-F223 CarbonylContact O-C 3.45Å; M219-F223 WeakPolarHBondContact O-CA 3.39Å; M219-F223 WeakPolarHBondContact O-CB 3.29Å; M219-F223 PolarHBondContact O-N 3.26Å; M219-F223 HydrophobicContact SD-CD2 4.13Å; F223-L225 HydrophobicContact CB-CB 4.49Å; F223-L225 HydrophobicContact CB-CD1 4Å; F223-L225 HydrophobicContact CB-CG 3.84Å; F223-L225 PolarHBondContact O-N 2.78Å |
| 224 | N | 92.3 | Very high | 91.3 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | trans | 57.1 | 25.3 | -174.8 | -55.3 | -64.5 | 0 | 0 | 0 | 113.7 | M219 L220 H781 P782 | M219-N224 PolarHBondContact O-N 2.82Å; M219-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 WeakPolarHBondContact O-CA 3.16Å; L220-N224 PolarHBondContact O-N 3.47Å; L220-N224 VanDerWaalsContact O-N 3.09Å; N224-H781 PolarHBondContact ND2-CD2 3.34Å; N224-P782 HydrophobicContact CB-CG 3.8Å | ||
| 225 | L | 94.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | trans | -93.4 | 119.3 | 178.8 | -62.1 | -179.5 | 0 | 0 | 0 | 110 | L191 L195 M219 L220 F223 F227 | L191-L225 HydrophobicContact CB-CD1 4.22Å; L195-L225 HydrophobicContact CD1-CD1 3.85Å; L195-L225 HydrophobicContact CD1-CD2 3.66Å; L195-L225 HydrophobicContact CD1-CG 4.38Å; M219-L225 CarbonylContact C-O 3.6Å; M219-L225 HydrophobicContact CB-CB 4.17Å; M219-L225 PolarHBondContact O-N 3.32Å; M219-L225 HydrophobicContact SD-CD1 4.35Å; L220-L225 WeakPolarHBondContact CA-O 3.35Å; L220-L225 PolarHBondContact N-O 3.17Å; F223-L225 HydrophobicContact CB-CB 4.49Å; F223-L225 HydrophobicContact CB-CD1 4Å; F223-L225 HydrophobicContact CB-CG 3.84Å; F223-L225 PolarHBondContact O-N 2.78Å; L225-F227 HydrophobicContact CB-CD2 4.09Å; L225-F227 HydrophobicContact CB-CE2 3.82Å; L225-F227 HydrophobicContact CD1-CE2 4.14Å; L225-F227 PolarHBondContact O-N 2.66Å | ||
| 226 | R | 92.4 | Very high | 91.9 | Very high | 180 Ų | 180 | 49 Ų | 49 | 68% | 0.679 | 23% | 0.234 | S | C | * | . | trans | -93.7 | 90.8 | -178.4 | -64.3 | -178.5 | -179.8 | -164.1 | -1.5 | 110 | L220 | L220-R226 HydrophobicContact CD1-CG 3.93Š| ||
| 227 | F | 96.6 | Very high | 91.9 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -82 | 142.7 | 172 | -79.1 | -97.6 | 0 | 0 | 0 | 111 | L191 V203 I205 L216 M219 L225 L251 I253 | L191-F227 HydrophobicContact CD1-CZ 4.17Å; V203-F227 HydrophobicContact CB-CE1 4.11Å; V203-F227 HydrophobicContact CB-CZ 4.26Å; V203-F227 HydrophobicContact CG1-CE1 3.97Å; V203-F227 HydrophobicContact CG1-CZ 4.03Å; I205-F227 HydrophobicContact CD1-CD1 3.92Å; I205-F227 HydrophobicContact CD1-CE1 3.37Å; I205-F227 HydrophobicContact CD1-CE2 4.04Å; I205-F227 HydrophobicContact CD1-CG 4.49Å; I205-F227 HydrophobicContact CD1-CZ 3.44Å; I205-F227 VanDerWaalsContact CD1-CZ 3.44Å; I205-F227 HydrophobicContact CG1-CD1 4.33Å; I205-F227 HydrophobicContact CG1-CE1 3.7Å; I205-F227 HydrophobicContact CG1-CZ 4.17Å; L216-F227 HydrophobicContact CD1-CB 4.06Å; L216-F227 WeakPolarHBondContact CD1-O 3.41Å; M219-F227 HydrophobicContact CB-CD2 3.68Å; M219-F227 HydrophobicContact CB-CE2 3.96Å; M219-F227 HydrophobicContact CG-CD2 3.81Å; M219-F227 HydrophobicContact CG-CE2 3.76Å; M219-F227 HydrophobicContact SD-CE2 4.27Å; L225-F227 HydrophobicContact CB-CD2 4.09Å; L225-F227 HydrophobicContact CB-CE2 3.82Å; L225-F227 HydrophobicContact CD1-CE2 4.14Å; L225-F227 PolarHBondContact O-N 2.66Å; F227-L251 WeakPolarHBondContact CA-O 3.42Å; F227-L251 VanDerWaalsContact CD1-C 3.47Å; F227-L251 HydrophobicContact CD1-CB 3.6Å; F227-L251 HydrophobicContact CD2-CB 4.35Å; F227-L251 HydrophobicContact CE1-CB 3.72Å; F227-L251 HydrophobicContact CE1-CD2 4.35Å; F227-L251 HydrophobicContact CE2-CB 4.46Å; F227-L251 HydrophobicContact CE2-CD1 4.35Å; F227-L251 HydrophobicContact CG-CB 3.92Å; F227-L251 HydrophobicContact CZ-CB 4.15Å; F227-L251 HydrophobicContact CZ-CD1 4.49Å; F227-L251 HydrophobicContact CZ-CD2 4.26Å; F227-I253 HydrophobicContact CB-CD1 3.43Å; F227-I253 VanDerWaalsContact CB-CD1 3.43Å; F227-I253 HydrophobicContact CB-CG1 3.75Å; F227-I253 HydrophobicContact CD1-CD1 4.14Å; F227-I253 HydrophobicContact CD1-CG1 3.69Å; F227-I253 HydrophobicContact CD2-CD1 4.47Å; F227-I253 HydrophobicContact CG-CD1 3.77Å; F227-I253 HydrophobicContact CG-CG1 3.86Å |
| 228 | A | 94.6 | Very high | 92.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F230 E249 L251 V252 I253 | A228-F230 HydrophobicContact CB-CD2 4.24Å; A228-F230 HydrophobicContact CB-CE2 3.85Å; A228-E249 HydrophobicContact CB-CB 4.06Å; A228-E249 HydrophobicContact CB-CG 3.65Å; A228-L251 PolarHBondContact N-O 3.08Å; A228-V252 WeakPolarHBondContact O-CA 3.43Å; A228-I253 PolarHBondContact O-N 2.65Å |
| 229 | L | 93.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 123.2 | 174.8 | -176.1 | 70.1 | 0 | 0 | 0 | 109.6 | Q212 H213 I253 | Q212-L229 HydrophobicContact CB-CD1 3.73Å; Q212-L229 HydrophobicContact CG-CD1 4.16Å; Q212-L229 VanDerWaalsContact OE1-CD1 3.24Å; H213-L229 WeakPolarHBondContact CE1-CD2 3.37Å; L229-I253 WeakPolarHBondContact CA-O 3.34Å; L229-I253 HydrophobicContact CD1-CB 4.32Å; L229-I253 HydrophobicContact CD1-CG2 4Å |
| 230 | F | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.7 | 177.5 | -85.6 | -111.5 | 0 | 0 | 0 | 111.3 | A228 R234 A238 F246 E249 V252 I253 C254 F258 | A228-F230 HydrophobicContact CB-CD2 4.24Å; A228-F230 HydrophobicContact CB-CE2 3.85Å; F230-R234 HydrophobicContact CD1-CG 4.27Å; F230-R234 HydrophobicContact CD2-CG 4.38Å; F230-R234 HydrophobicContact CE1-CG 4.4Å; F230-R234 HydrophobicContact CG-CG 4.27Å; F230-A238 HydrophobicContact CE1-CB 4.44Å; F230-F246 HydrophobicContact CB-CE1 4.23Å; F230-F246 AromaticContact CD1-CD1 3.7Å; F230-F246 HydrophobicContact CD1-CD1 3.7Å; F230-F246 AromaticContact CD1-CE1 3.49Å; F230-F246 HydrophobicContact CD1-CE1 3.49Å; F230-F246 VanDerWaalsContact CD1-CE1 3.49Å; F230-F246 AromaticContact CE1-CD1 3.78Å; F230-F246 HydrophobicContact CE1-CD1 3.78Å; F230-F246 HydrophobicContact CE1-CE1 4.04Å; F230-F246 HydrophobicContact CG-CD1 4.24Å; F230-F246 AromaticContact CG-CE1 3.98Å; F230-F246 HydrophobicContact CG-CE1 3.98Å; F230-F246 HydrophobicContact CZ-CD1 4.37Å; F230-E249 HydrophobicContact CE2-CB 4.02Å; F230-E249 HydrophobicContact CE2-CG 3.8Å; F230-E249 HydrophobicContact CZ-CB 4.26Å; F230-E249 HydrophobicContact CZ-CG 3.94Å; F230-V252 HydrophobicContact CB-CG1 4.16Å; F230-V252 HydrophobicContact CD2-CB 4.27Å; F230-V252 HydrophobicContact CD2-CG1 3.53Å; F230-V252 HydrophobicContact CD2-CG2 3.88Å; F230-V252 HydrophobicContact CE2-CB 4.43Å; F230-V252 HydrophobicContact CE2-CG1 4.1Å; F230-V252 HydrophobicContact CE2-CG2 3.55Å; F230-V252 HydrophobicContact CG-CG1 3.96Å; F230-V252 HydrophobicContact CZ-CG2 4.27Å; F230-I253 PolarHBondContact N-O 3.3Å; F230-C254 HydrophobicContact CB-CB 4.08Å; F230-F258 HydrophobicContact CB-CE1 4.15Å; F230-F258 HydrophobicContact CB-CZ 4.36Å |
| 231 | D | 90.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | trans | -122.9 | -173 | 170 | 64.2 | 18.8 | 0 | 0 | 0 | 111.1 | E233 R234 Y235 F258 | D231-E233 VanDerWaalsContact C-N 3.25Å; D231-E233 PolarHBondContact O-N 3.22Å; D231-E233 PolarHBondContact OD1-N 3.12Å; D231-R234 PolarHBondContact OD1-N 3.43Å; D231-Y235 WeakPolarHBondContact O-CB 3.45Å; D231-Y235 PolarHBondContact O-N 3.33Å; D231-F258 VanDerWaalsContact O-CE2 3.22Å; D231-F258 WeakPolarHBondContact O-CE2 3.26Å | ||
| 232 | D | 91.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -35.2 | -179.8 | -74.9 | -61 | 0 | 0 | 0 | 112.9 | A236 R261 R265 | D232-A236 PolarHBondContact O-N 3.45Å; D232-R261 IonicContact OD2-NH1 3.65Å; D232-R261 PolarHBondContact OD2-NH1 3.36Å; D232-R261 VanDerWaalsContact OD2-NH1 3.08Å; D232-R265 IonicContact OD1-CZ 2.9Å; D232-R265 IonicContact OD1-NH1 3.68Å; D232-R265 PolarHBondContact OD1-NH1 2.86Å; D232-R265 IonicContact OD1-NH2 3.83Å; D232-R265 PolarHBondContact OD1-NH2 2.66Å |
| 233 | E | 91.1 | Very high | 91 | Very high | 162 Ų | 162 | 67.4 Ų | 67.4 | 76% | 0.757 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78 | -49.9 | -178.2 | -65.1 | -175.9 | 179.1 | 0 | 0 | 111.1 | D231 Y235 A236 E237 | D231-E233 VanDerWaalsContact C-N 3.25Å; D231-E233 PolarHBondContact O-N 3.22Å; D231-E233 PolarHBondContact OD1-N 3.12Å; E233-Y235 VanDerWaalsContact C-N 3.3Å; E233-Y235 PolarHBondContact O-N 3.05Å; E233-A236 PolarHBondContact O-N 3.49Å; E233-A236 VanDerWaalsContact O-N 3.14Å; E233-E237 PolarHBondContact O-N 2.9Å |
| 234 | R | 91.4 | Very high | 90.9 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 25% | 0.249 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 177.6 | -179.7 | 58.8 | 175.1 | 170.1 | 0.6 | 111.9 | F230 D231 E237 A238 E249 | F230-R234 HydrophobicContact CD1-CG 4.27Å; F230-R234 HydrophobicContact CD2-CG 4.38Å; F230-R234 HydrophobicContact CE1-CG 4.4Å; F230-R234 HydrophobicContact CG-CG 4.27Å; D231-R234 PolarHBondContact OD1-N 3.43Å; R234-E237 IonicContact CZ-OE2 3.09Å; R234-E237 IonicContact NH1-OE1 3.44Å; R234-E237 IonicContact NH1-OE2 2.7Å; R234-E237 PolarHBondContact NH1-OE2 3.44Å; R234-E237 PolarHBondContact O-N 3.07Å; R234-A238 WeakPolarHBondContact O-CB 3.13Å; R234-A238 PolarHBondContact O-N 3.47Å; R234-E249 IonicContact CZ-OE1 3.05Å; R234-E249 IonicContact NH2-OE1 2.89Å; R234-E249 PolarHBondContact NH2-OE1 2.79Å |
| 235 | Y | 93.2 | Very high | 90.9 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 175.7 | 179.7 | -90.1 | 0 | 0 | 0 | 111.9 | D231 E233 E237 A238 Q239 P245 F246 F258 R265 H268 | D231-Y235 WeakPolarHBondContact O-CB 3.45Å; D231-Y235 PolarHBondContact O-N 3.33Å; E233-Y235 VanDerWaalsContact C-N 3.3Å; E233-Y235 PolarHBondContact O-N 3.05Å; Y235-E237 VanDerWaalsContact C-N 3.34Å; Y235-A238 PolarHBondContact O-N 3.14Å; Y235-Q239 HydrophobicContact CD1-CG 4.2Å; Y235-Q239 HydrophobicContact CE1-CG 3.84Å; Y235-Q239 WeakPolarHBondContact O-CG 3.18Å; Y235-Q239 PolarHBondContact O-N 2.92Å; Y235-P245 HydrophobicContact CD2-CB 3.83Å; Y235-P245 HydrophobicContact CD2-CG 3.99Å; Y235-P245 HydrophobicContact CE1-CG 4.47Å; Y235-P245 HydrophobicContact CE2-CB 3.83Å; Y235-P245 HydrophobicContact CE2-CG 3.56Å; Y235-F246 HydrophobicContact CD2-CE1 4.47Å; Y235-F246 HydrophobicContact CD2-CE2 4.14Å; Y235-F246 AromaticContact CD2-CZ 3.85Å; Y235-F246 HydrophobicContact CD2-CZ 3.85Å; Y235-F246 AromaticContact CE2-CE2 3.81Å; Y235-F246 HydrophobicContact CE2-CE2 3.81Å; Y235-F246 AromaticContact CE2-CZ 3.99Å; Y235-F246 HydrophobicContact CE2-CZ 3.99Å; Y235-F258 HydrophobicContact CD2-CZ 4.05Å; Y235-F258 HydrophobicContact CG-CE2 4.49Å; Y235-F258 HydrophobicContact CG-CZ 4.14Å; Y235-R265 HydrophobicContact CD2-CG 4.28Å; Y235-R265 HydrophobicContact CE1-CG 4Å; Y235-R265 HydrophobicContact CE2-CG 3.73Å; Y235-H268 AromaticContact CZ-ND1 3.85Å; Y235-H268 PolarHBondContact OH-CE1 2.97Å; Y235-H268 VanDerWaalsContact OH-CE1 3.25Å; Y235-H268 PolarHBondContact OH-ND1 2.84Å |
| 236 | A | 91.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 35% | 0.347 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D232 E233 H240 | D232-A236 PolarHBondContact O-N 3.45Å; E233-A236 PolarHBondContact O-N 3.49Å; E233-A236 VanDerWaalsContact O-N 3.14Å; A236-H240 PolarHBondContact O-CE1 3.45Å; A236-H240 PolarHBondContact O-ND1 2.85Å |
| 237 | E | 90.6 | Very high | 90.9 | Very high | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -56.5 | 171.5 | -174.5 | -175.6 | -156.7 | 0 | 0 | 110.6 | E233 R234 Y235 Q239 H240 | E233-E237 PolarHBondContact O-N 2.9Å; R234-E237 IonicContact CZ-OE2 3.09Å; R234-E237 IonicContact NH1-OE1 3.44Å; R234-E237 IonicContact NH1-OE2 2.7Å; R234-E237 PolarHBondContact NH1-OE2 3.44Å; R234-E237 PolarHBondContact O-N 3.07Å; Y235-E237 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 2.76Å; E237-Q239 VanDerWaalsContact O-N 3.13Å; E237-H240 WeakPolarHBondContact O-CB 3.42Å; E237-H240 PolarHBondContact O-N 3.17Å; E237-H240 PolarHBondContact O-ND1 3.28Å |
| 238 | A | 89.7 | Confident | 90.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -20.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F230 R234 Y235 H240 D241 A242 P245 T248 | F230-A238 HydrophobicContact CE1-CB 4.44Å; R234-A238 WeakPolarHBondContact O-CB 3.13Å; R234-A238 PolarHBondContact O-N 3.47Å; Y235-A238 PolarHBondContact O-N 3.14Å; A238-H240 PolarHBondContact O-N 3.41Å; A238-D241 PolarHBondContact O-N 3.41Å; A238-D241 VanDerWaalsContact O-N 3.15Å; A238-A242 PolarHBondContact O-N 3.04Å; A238-A242 VanDerWaalsContact O-N 3.12Å; A238-P245 HydrophobicContact CB-CB 3.79Å; A238-T248 HydrophobicContact CB-CG2 4.08Å |
| 239 | Q | 89.4 | Confident | 90.4 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -19.2 | 169.9 | -79.7 | -173.4 | -62.9 | 0 | 0 | 113.9 | Y235 E237 P245 | Y235-Q239 HydrophobicContact CD1-CG 4.2Å; Y235-Q239 HydrophobicContact CE1-CG 3.84Å; Y235-Q239 WeakPolarHBondContact O-CG 3.18Å; Y235-Q239 PolarHBondContact O-N 2.92Å; E237-Q239 PolarHBondContact O-N 2.76Å; E237-Q239 VanDerWaalsContact O-N 3.13Å; Q239-P245 HydrophobicContact CB-CG 4.29Å; Q239-P245 HydrophobicContact CG-CB 4.45Å; Q239-P245 HydrophobicContact CG-CG 3.36Å |
| 240 | H | 86.2 | Confident | 90.4 | Very high | 162 Ų | 162 | 66.1 Ų | 66.1 | 75% | 0.75 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -26.5 | 174.7 | -62.2 | 85 | 0 | 0 | 0 | 112.1 | A236 E237 A238 | A236-H240 PolarHBondContact O-CE1 3.45Å; A236-H240 PolarHBondContact O-ND1 2.85Å; E237-H240 WeakPolarHBondContact O-CB 3.42Å; E237-H240 PolarHBondContact O-N 3.17Å; E237-H240 PolarHBondContact O-ND1 3.28Å; A238-H240 PolarHBondContact O-N 3.41Å |
| 241 | D | 81.2 | Confident | 90.6 | Very high | 120 Ų | 120 | 67.4 Ų | 67.4 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -34.6 | -173.6 | -60 | -27.6 | 0 | 0 | 0 | 112.4 | A238 T248 | A238-D241 PolarHBondContact O-N 3.41Å; A238-D241 VanDerWaalsContact O-N 3.15Å; D241-T248 HydrophobicContact CB-CG2 4.21Å |
| 242 | A | 83.2 | Confident | 90.9 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | trans | -142.3 | 155.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | A238 N244 T248 | A238-A242 PolarHBondContact O-N 3.04Å; A238-A242 VanDerWaalsContact O-N 3.12Å; A242-N244 WeakPolarHBondContact CB-O 3.47Å; A242-T248 HydrophobicContact CB-CG2 3.78Å | ||
| 243 | Y | 88.1 | Confident | 91.2 | Very high | 197 Ų | 197 | 61.1 Ų | 61.1 | 77% | 0.773 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -62.1 | -48.1 | 174.2 | 173.9 | -100.3 | 0 | 0 | 0 | 111.7 | ||
| 244 | N | 91.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -99.8 | 111.8 | 168.4 | -175.5 | -13.6 | 0 | 0 | 0 | 108.4 | A242 F246 D247 H268 | A242-N244 WeakPolarHBondContact CB-O 3.47Å; N244-F246 PolarHBondContact O-N 3.46Å; N244-F246 VanDerWaalsContact O-N 3.11Å; N244-F246 WeakPolarHBondContact OD1-CD2 3.23Å; N244-F246 PolarHBondContact OD1-N 3.17Å; N244-F246 VanDerWaalsContact OD1-N 3.08Å; N244-D247 WeakPolarHBondContact CB-OD2 3.29Å; N244-D247 WeakPolarHBondContact O-CB 3.34Å; N244-D247 PolarHBondContact O-N 3.24Å; N244-D247 VanDerWaalsContact O-N 3.07Å; N244-H268 PolarHBondContact ND2-O 2.9Å; N244-H268 WeakPolarHBondContact OD1-CB 3.46Å |
| 245 | P | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.1 | -27.6 | -178.8 | -30.4 | 40.4 | 0 | 0 | 0 | 114 | Y235 A238 Q239 D247 T248 | Y235-P245 HydrophobicContact CD2-CB 3.83Å; Y235-P245 HydrophobicContact CD2-CG 3.99Å; Y235-P245 HydrophobicContact CE1-CG 4.47Å; Y235-P245 HydrophobicContact CE2-CB 3.83Å; Y235-P245 HydrophobicContact CE2-CG 3.56Å; A238-P245 HydrophobicContact CB-CB 3.79Å; Q239-P245 HydrophobicContact CB-CG 4.29Å; Q239-P245 HydrophobicContact CG-CB 4.45Å; Q239-P245 HydrophobicContact CG-CG 3.36Å; P245-D247 VanDerWaalsContact C-N 3.28Å; P245-D247 PolarHBondContact O-N 2.81Å; P245-T248 WeakPolarHBondContact O-CB 3.31Å; P245-T248 WeakPolarHBondContact O-CG2 3.26Å; P245-T248 PolarHBondContact O-N 2.93Å; P245-T248 PolarHBondContact O-OG1 3.26Å |
| 246 | F | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -80 | -7.3 | -178.4 | -58.8 | -69.6 | 0 | 0 | 0 | 113.9 | R202 F230 Y235 N244 T248 V252 F258 H268 L269 A272 W274 | R202-F246 PolarHBondContact NH2-O 3.06Å; F230-F246 HydrophobicContact CB-CE1 4.23Å; F230-F246 AromaticContact CD1-CD1 3.7Å; F230-F246 HydrophobicContact CD1-CD1 3.7Å; F230-F246 AromaticContact CD1-CE1 3.49Å; F230-F246 HydrophobicContact CD1-CE1 3.49Å; F230-F246 VanDerWaalsContact CD1-CE1 3.49Å; F230-F246 AromaticContact CE1-CD1 3.78Å; F230-F246 HydrophobicContact CE1-CD1 3.78Å; F230-F246 HydrophobicContact CE1-CE1 4.04Å; F230-F246 HydrophobicContact CG-CD1 4.24Å; F230-F246 AromaticContact CG-CE1 3.98Å; F230-F246 HydrophobicContact CG-CE1 3.98Å; F230-F246 HydrophobicContact CZ-CD1 4.37Å; Y235-F246 HydrophobicContact CD2-CE1 4.47Å; Y235-F246 HydrophobicContact CD2-CE2 4.14Å; Y235-F246 AromaticContact CD2-CZ 3.85Å; Y235-F246 HydrophobicContact CD2-CZ 3.85Å; Y235-F246 AromaticContact CE2-CE2 3.81Å; Y235-F246 HydrophobicContact CE2-CE2 3.81Å; Y235-F246 AromaticContact CE2-CZ 3.99Å; Y235-F246 HydrophobicContact CE2-CZ 3.99Å; N244-F246 PolarHBondContact O-N 3.46Å; N244-F246 VanDerWaalsContact O-N 3.11Å; N244-F246 WeakPolarHBondContact OD1-CD2 3.23Å; N244-F246 PolarHBondContact OD1-N 3.17Å; N244-F246 VanDerWaalsContact OD1-N 3.08Å; F246-T248 VanDerWaalsContact C-N 3.26Å; F246-V252 HydrophobicContact CD1-CG1 4.42Å; F246-F258 HydrophobicContact CE1-CE1 4.13Å; F246-F258 AromaticContact CZ-CE1 3.93Å; F246-F258 HydrophobicContact CZ-CE1 3.93Å; F246-F258 HydrophobicContact CZ-CZ 4.24Å; F246-H268 HydrophobicContact CD2-CB 3.84Å; F246-H268 HydrophobicContact CE2-CB 3.92Å; F246-L269 HydrophobicContact CD1-CD2 3.69Å; F246-L269 HydrophobicContact CD2-CD2 3.76Å; F246-L269 HydrophobicContact CD2-CG 3.92Å; F246-L269 HydrophobicContact CE1-CD2 3.55Å; F246-L269 HydrophobicContact CE1-CG 4.2Å; F246-L269 HydrophobicContact CE2-CB 4.39Å; F246-L269 HydrophobicContact CE2-CD1 4.49Å; F246-L269 HydrophobicContact CE2-CD2 3.64Å; F246-L269 HydrophobicContact CE2-CG 3.48Å; F246-L269 VanDerWaalsContact CE2-CG 3.48Å; F246-L269 HydrophobicContact CG-CD2 3.79Å; F246-L269 HydrophobicContact CG-CG 4.46Å; F246-L269 HydrophobicContact CZ-CD1 4.3Å; F246-L269 HydrophobicContact CZ-CD2 3.53Å; F246-L269 HydrophobicContact CZ-CG 3.63Å; F246-A272 HydrophobicContact CB-CB 3.77Å; F246-W274 HydrophobicContact CB-CH2 4.2Å; F246-W274 HydrophobicContact CB-CZ2 3.8Å; F246-W274 HydrophobicContact CG-CZ2 4.34Å |
| 247 | D | 92.3 | Very high | 91.5 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -78.7 | -13.5 | 172.3 | -66.4 | -14.3 | 0 | 0 | 0 | 112.3 | R202 N244 P245 E249 | R202-D247 IonicContact NH2-OD1 2.79Å; N244-D247 WeakPolarHBondContact CB-OD2 3.29Å; N244-D247 WeakPolarHBondContact O-CB 3.34Å; N244-D247 PolarHBondContact O-N 3.24Å; N244-D247 VanDerWaalsContact O-N 3.07Å; P245-D247 VanDerWaalsContact C-N 3.28Å; P245-D247 PolarHBondContact O-N 2.81Å; D247-E249 VanDerWaalsContact C-N 3.26Å; D247-E249 PolarHBondContact O-N 3.42Å |
| 248 | T | 89.3 | Confident | 91.6 | Very high | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.27 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -69.7 | -23.1 | 179.5 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | A238 D241 A242 P245 F246 | A238-T248 HydrophobicContact CB-CG2 4.08Å; D241-T248 HydrophobicContact CB-CG2 4.21Å; A242-T248 HydrophobicContact CB-CG2 3.78Å; P245-T248 WeakPolarHBondContact O-CB 3.31Å; P245-T248 WeakPolarHBondContact O-CG2 3.26Å; P245-T248 PolarHBondContact O-N 2.93Å; P245-T248 PolarHBondContact O-OG1 3.26Å; F246-T248 VanDerWaalsContact C-N 3.26Å |
| 249 | E | 92.4 | Very high | 91.8 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | trans | -132.8 | 147.8 | -174.6 | -63.4 | -70.9 | -178.6 | 0 | 0 | 110.4 | R202 A228 F230 R234 D247 V252 | R202-E249 PolarHBondContact NH1-O 3.22Å; A228-E249 HydrophobicContact CB-CB 4.06Å; A228-E249 HydrophobicContact CB-CG 3.65Å; F230-E249 HydrophobicContact CE2-CB 4.02Å; F230-E249 HydrophobicContact CE2-CG 3.8Å; F230-E249 HydrophobicContact CZ-CB 4.26Å; F230-E249 HydrophobicContact CZ-CG 3.94Å; R234-E249 IonicContact CZ-OE1 3.05Å; R234-E249 IonicContact NH2-OE1 2.89Å; R234-E249 PolarHBondContact NH2-OE1 2.79Å; D247-E249 VanDerWaalsContact C-N 3.26Å; D247-E249 PolarHBondContact O-N 3.42Å; E249-V252 HydrophobicContact CB-CG2 3.87Å | ||
| 250 | Q | 93.4 | Very high | 91.8 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -90.9 | -32.9 | 178.4 | -54.5 | -57.2 | -34.5 | 0 | 0 | 112.5 | R202 V203 | R202-Q250 VanDerWaalsContact CA-O 3.3Å; R202-Q250 WeakPolarHBondContact CA-O 3.21Å; V203-Q250 PolarHBondContact N-O 3.43Å |
| 251 | L | 97.6 | Very high | 92 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 109 | -175.7 | -58 | -177.3 | 0 | 0 | 0 | 108.9 | L195 V203 F227 A228 | L195-L251 HydrophobicContact CD1-CD1 4.44Å; L195-L251 HydrophobicContact CD1-CD2 4.11Å; L195-L251 HydrophobicContact CD2-CD2 3.85Å; V203-L251 HydrophobicContact CB-CD2 3.82Å; V203-L251 HydrophobicContact CG2-CD2 3.86Å; F227-L251 WeakPolarHBondContact CA-O 3.42Å; F227-L251 VanDerWaalsContact CD1-C 3.47Å; F227-L251 HydrophobicContact CD1-CB 3.6Å; F227-L251 HydrophobicContact CD2-CB 4.35Å; F227-L251 HydrophobicContact CE1-CB 3.72Å; F227-L251 HydrophobicContact CE1-CD2 4.35Å; F227-L251 HydrophobicContact CE2-CB 4.46Å; F227-L251 HydrophobicContact CE2-CD1 4.35Å; F227-L251 HydrophobicContact CG-CB 3.92Å; F227-L251 HydrophobicContact CZ-CB 4.15Å; F227-L251 HydrophobicContact CZ-CD1 4.49Å; F227-L251 HydrophobicContact CZ-CD2 4.26Å; A228-L251 PolarHBondContact N-O 3.08Å |
| 252 | V | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134 | -173.2 | 172 | 0 | 0 | 0 | 0 | 112 | V203 L204 I205 A228 F230 F246 E249 W274 | V203-V252 PolarHBondContact O-N 3.07Å; L204-V252 HydrophobicContact CD1-CB 4.22Å; L204-V252 HydrophobicContact CD1-CG1 3.93Å; I205-V252 PolarHBondContact N-O 3.05Å; A228-V252 WeakPolarHBondContact O-CA 3.43Å; F230-V252 HydrophobicContact CB-CG1 4.16Å; F230-V252 HydrophobicContact CD2-CB 4.27Å; F230-V252 HydrophobicContact CD2-CG1 3.53Å; F230-V252 HydrophobicContact CD2-CG2 3.88Å; F230-V252 HydrophobicContact CE2-CB 4.43Å; F230-V252 HydrophobicContact CE2-CG1 4.1Å; F230-V252 HydrophobicContact CE2-CG2 3.55Å; F230-V252 HydrophobicContact CG-CG1 3.96Å; F230-V252 HydrophobicContact CZ-CG2 4.27Å; F246-V252 HydrophobicContact CD1-CG1 4.42Å; E249-V252 HydrophobicContact CB-CG2 3.87Å; V252-W274 HydrophobicContact CB-CH2 3.73Å; V252-W274 HydrophobicContact CB-CZ3 4.15Å; V252-W274 HydrophobicContact CG1-CH2 4.5Å; V252-W274 HydrophobicContact CG2-CH2 3.58Å; V252-W274 HydrophobicContact CG2-CZ3 4.1Å |
| 253 | I | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.5 | 165.3 | -65.1 | 163.5 | 0 | 0 | 0 | 108.2 | I205 V207 Q212 W215 L216 F227 A228 L229 F230 | I205-I253 HydrophobicContact CB-CB 4.49Å; I205-I253 HydrophobicContact CB-CG1 3.83Å; I205-I253 HydrophobicContact CD1-CG1 4.14Å; I205-I253 HydrophobicContact CG1-CG1 4.41Å; I205-I253 HydrophobicContact CG2-CG1 4.11Å; I205-I253 HydrophobicContact CG2-CG2 4.49Å; I205-I253 WeakPolarHBondContact O-CA 3.27Å; V207-I253 HydrophobicContact CG2-CG2 4.19Å; Q212-I253 HydrophobicContact CB-CG2 4.21Å; Q212-I253 HydrophobicContact CG-CG2 4.18Å; W215-I253 HydrophobicContact CB-CD1 4.07Å; L216-I253 HydrophobicContact CB-CD1 4.04Å; L216-I253 HydrophobicContact CD1-CD1 4.28Å; F227-I253 HydrophobicContact CB-CD1 3.43Å; F227-I253 VanDerWaalsContact CB-CD1 3.43Å; F227-I253 HydrophobicContact CB-CG1 3.75Å; F227-I253 HydrophobicContact CD1-CD1 4.14Å; F227-I253 HydrophobicContact CD1-CG1 3.69Å; F227-I253 HydrophobicContact CD2-CD1 4.47Å; F227-I253 HydrophobicContact CG-CD1 3.77Å; F227-I253 HydrophobicContact CG-CG1 3.86Å; A228-I253 PolarHBondContact O-N 2.65Å; L229-I253 WeakPolarHBondContact CA-O 3.34Å; L229-I253 HydrophobicContact CD1-CB 4.32Å; L229-I253 HydrophobicContact CD1-CG2 4Å; F230-I253 PolarHBondContact N-O 3.3Å |
| 254 | C | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 165.9 | 170.5 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | I205 I206 V207 F230 F258 | I205-C254 PolarHBondContact O-N 2.89Å; I206-C254 WeakPolarHBondContact CA-O 3.44Å; V207-C254 PolarHBondContact N-O 2.93Å; V207-C254 VanDerWaalsContact N-O 3.16Å; F230-C254 HydrophobicContact CB-CB 4.08Å; C254-F258 HydrophobicContact CB-CD1 3.68Å; C254-F258 HydrophobicContact CB-CE1 4.04Å |
| 255 | S | 94.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 148.4 | 174.2 | 77 | 0 | 0 | 0 | 0 | 112.6 | V207 D257 F258 A259 | V207-S255 WeakPolarHBondContact O-CA 3.38Å; S255-D257 PolarHBondContact O-N 3.24Å; S255-F258 WeakPolarHBondContact O-CB 3.41Å; S255-F258 PolarHBondContact O-N 3.22Å; S255-F258 VanDerWaalsContact OG-CB 3.22Å; S255-F258 WeakPolarHBondContact OG-CB 3.32Å; S255-F258 PolarHBondContact OG-N 3.21Å; S255-A259 PolarHBondContact O-N 3.02Å |
| 256 | L | 91.5 | Very high | 93.3 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -37.3 | 173.6 | -176.9 | 53.2 | 0 | 0 | 0 | 111.3 | I206 V207 A259 R260 L285 E295 A298 I299 | I206-L256 HydrophobicContact CG2-CB 3.68Å; I206-L256 HydrophobicContact CG2-CD1 4.09Å; I206-L256 HydrophobicContact CG2-CG 4.41Å; V207-L256 PolarHBondContact O-N 3.21Å; L256-A259 PolarHBondContact O-N 3.37Å; L256-R260 HydrophobicContact CD1-CG 4.19Å; L256-R260 VanDerWaalsContact O-CD 3.24Å; L256-R260 WeakPolarHBondContact O-CD 3.48Å; L256-R260 VanDerWaalsContact O-CG 3.27Å; L256-R260 WeakPolarHBondContact O-CG 3.37Å; L256-R260 PolarHBondContact O-N 2.82Å; L256-R260 VanDerWaalsContact O-N 3.15Å; L256-L285 HydrophobicContact CD2-CD2 3.88Å; L256-E295 HydrophobicContact CD2-CB 3.86Å; L256-E295 HydrophobicContact CD2-CG 3.99Å; L256-A298 HydrophobicContact CD1-CB 4.34Å; L256-I299 HydrophobicContact CD1-CD1 3.77Å; L256-I299 HydrophobicContact CD1-CG1 4.08Å; L256-I299 HydrophobicContact CD2-CG1 4.47Å |
| 257 | D | 91.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.2 | -169.3 | 57.7 | 0 | 0 | 0 | 111.6 | S255 A259 R260 R261 | S255-D257 PolarHBondContact O-N 3.24Å; D257-A259 PolarHBondContact O-N 3.5Å; D257-R260 PolarHBondContact O-N 3.01Å; D257-R261 VanDerWaalsContact O-CG 3.32Å; D257-R261 WeakPolarHBondContact O-CG 3.4Å; D257-R261 PolarHBondContact O-N 2.9Å; D257-R261 IonicContact OD2-CZ 3.94Å; D257-R261 IonicContact OD2-NE 3.42Å; D257-R261 PolarHBondContact OD2-NE 3.22Å; D257-R261 IonicContact OD2-NH2 3.17Å; D257-R261 PolarHBondContact OD2-NH2 2.65Å |
| 258 | F | 93.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 175.3 | 163.3 | -96.4 | 0 | 0 | 0 | 112.3 | F230 D231 Y235 F246 C254 S255 R260 | F230-F258 HydrophobicContact CB-CE1 4.15Å; F230-F258 HydrophobicContact CB-CZ 4.36Å; D231-F258 VanDerWaalsContact O-CE2 3.22Å; D231-F258 WeakPolarHBondContact O-CE2 3.26Å; Y235-F258 HydrophobicContact CD2-CZ 4.05Å; Y235-F258 HydrophobicContact CG-CE2 4.49Å; Y235-F258 HydrophobicContact CG-CZ 4.14Å; F246-F258 HydrophobicContact CE1-CE1 4.13Å; F246-F258 AromaticContact CZ-CE1 3.93Å; F246-F258 HydrophobicContact CZ-CE1 3.93Å; F246-F258 HydrophobicContact CZ-CZ 4.24Å; C254-F258 HydrophobicContact CB-CD1 3.68Å; C254-F258 HydrophobicContact CB-CE1 4.04Å; S255-F258 WeakPolarHBondContact O-CB 3.41Å; S255-F258 PolarHBondContact O-N 3.22Å; S255-F258 VanDerWaalsContact OG-CB 3.22Å; S255-F258 WeakPolarHBondContact OG-CB 3.32Å; S255-F258 PolarHBondContact OG-N 3.21Å; F258-R260 VanDerWaalsContact C-N 3.29Å; F258-R260 PolarHBondContact O-N 3.34Å |
| 259 | A | 92.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | S255 L256 D257 L269 | S255-A259 PolarHBondContact O-N 3.02Å; L256-A259 PolarHBondContact O-N 3.37Å; D257-A259 PolarHBondContact O-N 3.5Å; A259-L269 HydrophobicContact CB-CD1 3.58Å |
| 260 | R | 89.7 | Confident | 93.9 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -85 | -26.7 | -175.4 | -72.4 | 160.3 | 40.9 | 105.8 | -9.2 | 115.4 | L256 D257 F258 S262 R294 E295 A298 | L256-R260 HydrophobicContact CD1-CG 4.19Å; L256-R260 VanDerWaalsContact O-CD 3.24Å; L256-R260 WeakPolarHBondContact O-CD 3.48Å; L256-R260 VanDerWaalsContact O-CG 3.27Å; L256-R260 WeakPolarHBondContact O-CG 3.37Å; L256-R260 PolarHBondContact O-N 2.82Å; L256-R260 VanDerWaalsContact O-N 3.15Å; D257-R260 PolarHBondContact O-N 3.01Å; F258-R260 VanDerWaalsContact C-N 3.29Å; F258-R260 PolarHBondContact O-N 3.34Å; R260-S262 PolarHBondContact O-N 2.73Å; R260-R294 VanDerWaalsContact NH1-CA 3.33Å; R260-R294 PolarHBondContact NH1-O 3.01Å; R260-E295 IonicContact CZ-OE1 2.62Å; R260-E295 IonicContact CZ-OE2 2.67Å; R260-E295 IonicContact NE-OE1 3.74Å; R260-E295 VanDerWaalsContact NH1-CG 3.33Å; R260-E295 IonicContact NH1-OE1 3.52Å; R260-E295 PolarHBondContact NH1-OE1 2.97Å; R260-E295 IonicContact NH1-OE2 3.52Å; R260-E295 PolarHBondContact NH1-OE2 2.74Å; R260-E295 IonicContact NH2-OE1 3.9Å; R260-E295 PolarHBondContact NH2-OE1 2.95Å; R260-E295 IonicContact NH2-OE2 2.8Å; R260-E295 PolarHBondContact NH2-OE2 2.88Å; R260-A298 HydrophobicContact CG-CB 3.86Å |
| 261 | R | 89.9 | Confident | 94 | Very high | 141 Ų | 141 | 41.6 Ų | 41.6 | 53% | 0.532 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -54.5 | -26.7 | -176.8 | -84.9 | 176.1 | -169.4 | -179.1 | 5.5 | 112.8 | D232 D257 | D232-R261 IonicContact OD2-NH1 3.65Å; D232-R261 PolarHBondContact OD2-NH1 3.36Å; D232-R261 VanDerWaalsContact OD2-NH1 3.08Å; D257-R261 VanDerWaalsContact O-CG 3.32Å; D257-R261 WeakPolarHBondContact O-CG 3.4Å; D257-R261 PolarHBondContact O-N 2.9Å; D257-R261 IonicContact OD2-CZ 3.94Å; D257-R261 IonicContact OD2-NE 3.42Å; D257-R261 PolarHBondContact OD2-NE 3.22Å; D257-R261 IonicContact OD2-NH2 3.17Å; D257-R261 PolarHBondContact OD2-NH2 2.65Å |
| 262 | S | 90 | Very high | 93.8 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | trans | -132.4 | 125.7 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111 | R260 Q264 R265 L266 | R260-S262 PolarHBondContact O-N 2.73Å; S262-Q264 PolarHBondContact O-N 2.8Å; S262-Q264 PolarHBondContact OG-N 3.42Å; S262-R265 WeakPolarHBondContact O-CB 3.4Å; S262-R265 PolarHBondContact O-N 2.92Å; S262-R265 VanDerWaalsContact O-N 3.08Å; S262-L266 PolarHBondContact O-N 3.35Å | ||
| 263 | K | 91.6 | Very high | 93.5 | Very high | 158 Ų | 158 | 48.2 Ų | 48.2 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -57.5 | -39.8 | 174.3 | -168.5 | -173.6 | -177.1 | -115.2 | 0 | 111.8 | R265 L266 E267 | K263-R265 VanDerWaalsContact C-N 3.28Å; K263-R265 PolarHBondContact O-N 2.8Å; K263-L266 PolarHBondContact O-N 3.33Å; K263-E267 WeakPolarHBondContact CE-OE1 3.43Å; K263-E267 IonicContact NZ-OE1 3.39Å; K263-E267 PolarHBondContact NZ-OE1 2.97Å; K263-E267 WeakPolarHBondContact O-CG 3.3Å; K263-E267 PolarHBondContact O-N 2.84Å |
| 264 | Q | 93.2 | Very high | 93.5 | Very high | 94 Ų | 94 | 48.6 Ų | 48.6 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -37.8 | 177.4 | -176.7 | -177.6 | 24.9 | 0 | 0 | 111.7 | S262 E267 H268 | S262-Q264 PolarHBondContact O-N 2.8Å; S262-Q264 PolarHBondContact OG-N 3.42Å; Q264-E267 PolarHBondContact O-N 3.37Å; Q264-H268 PolarHBondContact NE2-CE1 3.03Å; Q264-H268 PolarHBondContact NE2-NE2 2.86Å; Q264-H268 WeakPolarHBondContact O-CB 3.31Å; Q264-H268 PolarHBondContact O-CD2 2.91Å; Q264-H268 VanDerWaalsContact O-CG 3.23Å; Q264-H268 PolarHBondContact O-N 3.12Å |
| 265 | R | 94.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 178.2 | -71 | 179.4 | -169.8 | 164.4 | -1.7 | 111.7 | D232 Y235 S262 K263 E267 H268 L269 | D232-R265 IonicContact OD1-CZ 2.9Å; D232-R265 IonicContact OD1-NH1 3.68Å; D232-R265 PolarHBondContact OD1-NH1 2.86Å; D232-R265 IonicContact OD1-NH2 3.83Å; D232-R265 PolarHBondContact OD1-NH2 2.66Å; Y235-R265 HydrophobicContact CD2-CG 4.28Å; Y235-R265 HydrophobicContact CE1-CG 4Å; Y235-R265 HydrophobicContact CE2-CG 3.73Å; S262-R265 WeakPolarHBondContact O-CB 3.4Å; S262-R265 PolarHBondContact O-N 2.92Å; S262-R265 VanDerWaalsContact O-N 3.08Å; K263-R265 VanDerWaalsContact C-N 3.28Å; K263-R265 PolarHBondContact O-N 2.8Å; R265-E267 VanDerWaalsContact C-N 3.32Å; R265-H268 PolarHBondContact O-N 3.31Å; R265-L269 WeakPolarHBondContact O-CG 3.21Å; R265-L269 PolarHBondContact O-N 2.95Å |
| 266 | L | 94.7 | Very high | 93.7 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.9 | -175.8 | 60 | 0 | 0 | 0 | 111.4 | S262 K263 L269 C270 A298 L302 | S262-L266 PolarHBondContact O-N 3.35Å; K263-L266 PolarHBondContact O-N 3.33Å; L266-L269 PolarHBondContact O-N 3.34Å; L266-C270 PolarHBondContact O-N 2.89Å; L266-C270 PolarHBondContact O-SG 2.84Å; L266-A298 HydrophobicContact CD1-CB 4.17Å; L266-A298 HydrophobicContact CD2-CB 3.93Å; L266-L302 HydrophobicContact CD1-CD1 4.1Å; L266-L302 HydrophobicContact CD1-CD2 4.36Å; L266-L302 HydrophobicContact CD1-CG 4.04Å |
| 267 | E | 95 | Very high | 94.1 | Very high | 65 Ų | 65 | 49.9 Ų | 49.9 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 172.8 | -72.3 | 168.2 | 175.2 | 0 | 0 | 111.1 | K263 Q264 R265 L269 C270 E271 | K263-E267 WeakPolarHBondContact CE-OE1 3.43Å; K263-E267 IonicContact NZ-OE1 3.39Å; K263-E267 PolarHBondContact NZ-OE1 2.97Å; K263-E267 WeakPolarHBondContact O-CG 3.3Å; K263-E267 PolarHBondContact O-N 2.84Å; Q264-E267 PolarHBondContact O-N 3.37Å; R265-E267 VanDerWaalsContact C-N 3.32Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 2.82Å; E267-C270 WeakPolarHBondContact O-CB 3.42Å; E267-C270 PolarHBondContact O-N 3.46Å; E267-E271 WeakPolarHBondContact O-CG 3.49Å; E267-E271 PolarHBondContact O-N 3.39Å |
| 268 | H | 96 | Very high | 94.4 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 176 | -70.3 | 179.2 | 0 | 0 | 0 | 112.6 | Y235 N244 F246 Q264 R265 C270 E271 A272 | Y235-H268 AromaticContact CZ-ND1 3.85Å; Y235-H268 PolarHBondContact OH-CE1 2.97Å; Y235-H268 VanDerWaalsContact OH-CE1 3.25Å; Y235-H268 PolarHBondContact OH-ND1 2.84Å; N244-H268 PolarHBondContact ND2-O 2.9Å; N244-H268 WeakPolarHBondContact OD1-CB 3.46Å; F246-H268 HydrophobicContact CD2-CB 3.84Å; F246-H268 HydrophobicContact CE2-CB 3.92Å; Q264-H268 PolarHBondContact NE2-CE1 3.03Å; Q264-H268 PolarHBondContact NE2-NE2 2.86Å; Q264-H268 WeakPolarHBondContact O-CB 3.31Å; Q264-H268 PolarHBondContact O-CD2 2.91Å; Q264-H268 VanDerWaalsContact O-CG 3.23Å; Q264-H268 PolarHBondContact O-N 3.12Å; R265-H268 PolarHBondContact O-N 3.31Å; H268-C270 VanDerWaalsContact C-N 3.33Å; H268-C270 PolarHBondContact O-N 2.93Å; H268-E271 PolarHBondContact O-N 3.13Å; H268-A272 WeakPolarHBondContact O-CB 3.47Å; H268-A272 PolarHBondContact O-N 3.31Å; H268-A272 VanDerWaalsContact O-N 3.15Å |
| 269 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 174.4 | -78 | 169.6 | 0 | 0 | 0 | 112 | L204 F246 A259 R265 L266 E267 E271 W274 L302 | L204-L269 HydrophobicContact CD1-CD2 4.03Å; L204-L269 HydrophobicContact CD2-CD2 3.98Å; F246-L269 HydrophobicContact CD1-CD2 3.69Å; F246-L269 HydrophobicContact CD2-CD2 3.76Å; F246-L269 HydrophobicContact CD2-CG 3.92Å; F246-L269 HydrophobicContact CE1-CD2 3.55Å; F246-L269 HydrophobicContact CE1-CG 4.2Å; F246-L269 HydrophobicContact CE2-CB 4.39Å; F246-L269 HydrophobicContact CE2-CD1 4.49Å; F246-L269 HydrophobicContact CE2-CD2 3.64Å; F246-L269 HydrophobicContact CE2-CG 3.48Å; F246-L269 VanDerWaalsContact CE2-CG 3.48Å; F246-L269 HydrophobicContact CG-CD2 3.79Å; F246-L269 HydrophobicContact CG-CG 4.46Å; F246-L269 HydrophobicContact CZ-CD1 4.3Å; F246-L269 HydrophobicContact CZ-CD2 3.53Å; F246-L269 HydrophobicContact CZ-CG 3.63Å; A259-L269 HydrophobicContact CB-CD1 3.58Å; R265-L269 WeakPolarHBondContact O-CG 3.21Å; R265-L269 PolarHBondContact O-N 2.95Å; L266-L269 PolarHBondContact O-N 3.34Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 2.82Å; L269-E271 VanDerWaalsContact C-N 3.35Å; L269-W274 HydrophobicContact CD2-CZ2 4.19Å; L269-W274 VanDerWaalsContact O-CD1 3.29Å; L269-W274 PolarHBondContact O-NE1 3.34Å; L269-L302 HydrophobicContact CB-CD2 3.75Å |
| 270 | C | 95.3 | Very high | 94.6 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 9% | 0.088 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.5 | -32.4 | 177.9 | -62 | 0 | 0 | 0 | 0 | 112.2 | L266 E267 H268 | L266-C270 PolarHBondContact O-N 2.89Å; L266-C270 PolarHBondContact O-SG 2.84Å; E267-C270 WeakPolarHBondContact O-CB 3.42Å; E267-C270 PolarHBondContact O-N 3.46Å; H268-C270 VanDerWaalsContact C-N 3.33Å; H268-C270 PolarHBondContact O-N 2.93Å |
| 271 | E | 94.9 | Very high | 94.6 | Very high | 111 Ų | 111 | 46 Ų | 46 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -79.8 | -16.5 | -179.1 | -71.3 | 173.9 | -178.3 | 0 | 0 | 113.7 | E267 H268 L269 E273 | E267-E271 WeakPolarHBondContact O-CG 3.49Å; E267-E271 PolarHBondContact O-N 3.39Å; H268-E271 PolarHBondContact O-N 3.13Å; L269-E271 VanDerWaalsContact C-N 3.35Å; E271-E273 PolarHBondContact O-N 3.12Å; E271-E273 VanDerWaalsContact O-N 3.11Å |
| 272 | A | 93 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -78.9 | 16.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R202 F246 H268 W274 | R202-A272 PolarHBondContact NE-O 2.83Å; R202-A272 PolarHBondContact NH2-O 3.17Å; F246-A272 HydrophobicContact CB-CB 3.77Å; H268-A272 WeakPolarHBondContact O-CB 3.47Å; H268-A272 PolarHBondContact O-N 3.31Å; H268-A272 VanDerWaalsContact O-N 3.15Å; A272-W274 HydrophobicContact CB-CZ2 3.89Å; A272-W274 PolarHBondContact O-N 2.92Å |
| 273 | E | 92.6 | Very high | 94.3 | Very high | 166 Ų | 166 | 38.9 Ų | 38.9 | 78% | 0.776 | 18% | 0.182 | S | C | * | . | trans | 38.6 | 72 | 176.3 | -64.1 | -171.5 | 158.6 | 0 | 0 | 114.5 | R202 E271 | R202-E273 WeakPolarHBondContact CD-O 3.26Å; R202-E273 PolarHBondContact NE-O 3.37Å; E271-E273 PolarHBondContact O-N 3.12Å; E271-E273 VanDerWaalsContact O-N 3.11Å | ||
| 274 | W | 97.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | trans | -83.6 | 148.2 | 175.4 | -50.1 | 96.8 | 0 | 0 | 0 | 111.9 | R202 L204 F246 V252 L269 A272 V306 P307 | R202-W274 HydrophobicContact CB-CE3 3.98Å; L204-W274 HydrophobicContact CB-CD2 3.66Å; L204-W274 HydrophobicContact CB-CE3 3.87Å; L204-W274 HydrophobicContact CB-CG 3.97Å; L204-W274 HydrophobicContact CB-CZ2 4.39Å; L204-W274 HydrophobicContact CB-CZ3 4.36Å; L204-W274 HydrophobicContact CD1-CZ2 4.27Å; L204-W274 HydrophobicContact CD2-CD2 4.45Å; L204-W274 HydrophobicContact CD2-CG 4.47Å; F246-W274 HydrophobicContact CB-CH2 4.2Å; F246-W274 HydrophobicContact CB-CZ2 3.8Å; F246-W274 HydrophobicContact CG-CZ2 4.34Å; V252-W274 HydrophobicContact CB-CH2 3.73Å; V252-W274 HydrophobicContact CB-CZ3 4.15Å; V252-W274 HydrophobicContact CG1-CH2 4.5Å; V252-W274 HydrophobicContact CG2-CH2 3.58Å; V252-W274 HydrophobicContact CG2-CZ3 4.1Å; L269-W274 HydrophobicContact CD2-CZ2 4.19Å; L269-W274 VanDerWaalsContact O-CD1 3.29Å; L269-W274 PolarHBondContact O-NE1 3.34Å; A272-W274 HydrophobicContact CB-CZ2 3.89Å; A272-W274 PolarHBondContact O-N 2.92Å; W274-V306 HydrophobicContact CB-CG1 3.98Å; W274-V306 HydrophobicContact CB-CG2 3.87Å; W274-V306 HydrophobicContact CG-CG2 4.32Å; W274-P307 WeakPolarHBondContact O-CD 3.23Å | ||
| 275 | D | 96.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -87.1 | -35.7 | 172.2 | -58.4 | -56.4 | 0 | 0 | 0 | 111.8 | A200 E201 R202 G308 | A200-D275 HydrophobicContact CB-CB 3.79Å; E201-D275 PolarHBondContact N-OD2 2.93Å; R202-D275 PolarHBondContact N-OD2 3.19Å; R202-D275 WeakPolarHBondContact O-CB 3.31Å; R202-D275 PolarHBondContact O-N 3Å; D275-G308 PolarHBondContact O-N 3.2Å |
| 276 | L | 98 | Very high | 93.2 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 127.4 | -172.2 | -169.4 | 55.8 | 0 | 0 | 0 | 112.4 | P171 L191 Q194 A200 R202 V203 L204 G308 L310 | P171-L276 HydrophobicContact CG-CD1 4.36Å; L191-L276 HydrophobicContact CD2-CD2 3.4Å; L191-L276 HydrophobicContact CD2-CG 4.12Å; Q194-L276 HydrophobicContact CG-CD2 4.45Å; A200-L276 HydrophobicContact CB-CB 4.47Å; R202-L276 PolarHBondContact O-N 3.09Å; V203-L276 WeakPolarHBondContact CA-O 3.46Å; V203-L276 HydrophobicContact CG2-CB 4.34Å; L204-L276 PolarHBondContact N-O 3.47Å; L276-G308 WeakPolarHBondContact CA-O 3.35Å; L276-G308 VanDerWaalsContact CD1-C 3.47Å; L276-L310 HydrophobicContact CD1-CG 4.11Å; L276-L310 HydrophobicContact CD2-CD1 4.45Å |
| 277 | L | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.6 | 174.4 | 171 | 64.7 | 0 | 0 | 0 | 109.6 | L204 I206 V279 L302 V306 G308 V309 L310 | L204-L277 HydrophobicContact CB-CD1 4.28Å; L204-L277 HydrophobicContact CD2-CD1 3.99Å; L204-L277 HydrophobicContact CG-CD1 3.97Å; L204-L277 CarbonylContact O-C 3.48Å; L204-L277 WeakPolarHBondContact O-CA 3.46Å; I206-L277 HydrophobicContact CD1-CD1 4.04Å; I206-L277 HydrophobicContact CG1-CD1 4.07Å; L277-V279 HydrophobicContact CD1-CG2 4.06Å; L277-V279 HydrophobicContact CD2-CG2 4.09Å; L277-V279 HydrophobicContact CG-CG2 3.92Å; L277-L302 HydrophobicContact CD2-CB 4Å; L277-V306 HydrophobicContact CB-CB 4.16Å; L277-V306 HydrophobicContact CB-CG1 3.83Å; L277-V306 HydrophobicContact CB-CG2 4.36Å; L277-G308 PolarHBondContact N-O 2.87Å; L277-V309 HydrophobicContact CB-CG2 4.4Å; L277-V309 HydrophobicContact CD2-CG1 4.48Å; L277-V309 CarbonylContact O-C 3.6Å; L277-V309 WeakPolarHBondContact O-CA 3.49Å; L277-L310 PolarHBondContact O-N 3.09Å |
| 278 | V | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.2 | 170 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | L191 L204 I205 I206 W215 L310 L312 | L191-V278 HydrophobicContact CD1-CG2 4.27Å; L191-V278 HydrophobicContact CD2-CG2 3.94Å; L191-V278 HydrophobicContact CG-CG2 4.43Å; L204-V278 PolarHBondContact O-N 2.92Å; I205-V278 CarbonylContact C-O 3.57Å; I205-V278 WeakPolarHBondContact CA-O 3.46Å; I205-V278 HydrophobicContact CG1-CB 4.06Å; I205-V278 HydrophobicContact CG1-CG2 4.2Å; I206-V278 PolarHBondContact N-O 3.22Å; W215-V278 HydrophobicContact CH2-CG1 3.65Å; W215-V278 HydrophobicContact CZ2-CG1 4.33Å; W215-V278 HydrophobicContact CZ3-CG1 4.19Å; V278-L310 CarbonylContact C-O 3.54Å; V278-L310 WeakPolarHBondContact CA-O 3.44Å; V278-L310 HydrophobicContact CG1-CB 4.35Å; V278-L310 HydrophobicContact CG2-CB 4.26Å; V278-L310 HydrophobicContact CG2-CD1 4.22Å; V278-L312 HydrophobicContact CG1-CD1 3.8Å |
| 279 | V | 97.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 113.9 | 174.5 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | I206 L277 L285 I299 L310 L311 L312 | I206-V279 WeakPolarHBondContact O-CA 3.45Å; L277-V279 HydrophobicContact CD1-CG2 4.06Å; L277-V279 HydrophobicContact CD2-CG2 4.09Å; L277-V279 HydrophobicContact CG-CG2 3.92Å; V279-L285 HydrophobicContact CG1-CD1 4.45Å; V279-I299 HydrophobicContact CG1-CD1 4.18Å; V279-I299 HydrophobicContact CG1-CG1 4.4Å; V279-I299 HydrophobicContact CG2-CD1 3.89Å; V279-I299 HydrophobicContact CG2-CG2 4.03Å; V279-L310 PolarHBondContact N-O 3.42Å; V279-L311 HydrophobicContact CB-CD2 3.71Å; V279-L311 HydrophobicContact CG2-CD2 3.91Å; V279-L312 PolarHBondContact O-N 2.85Å |
| 280 | D | 93.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -90.6 | 154.8 | 175.6 | -155.8 | 4.7 | 0 | 0 | 0 | 112.2 | I206 V207 W215 A282 L312 | I206-D280 PolarHBondContact O-N 2.7Å; I206-D280 VanDerWaalsContact O-N 3.12Å; V207-D280 HydrophobicContact CB-CB 4.34Å; V207-D280 HydrophobicContact CG1-CB 3.64Å; W215-D280 HydrophobicContact CZ2-CB 3.87Å; W215-D280 WeakPolarHBondContact CZ2-OD2 3.17Å; W215-D280 PolarHBondContact NE1-OD2 2.68Å; D280-A282 VanDerWaalsContact C-N 3.25Å; D280-A282 PolarHBondContact O-N 2.81Å; D280-L312 WeakPolarHBondContact OD1-CB 3.35Å |
| 281 | E | 88.5 | Confident | 90 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 49.9 | 45.1 | -173.5 | -55.2 | -65.3 | -166.8 | 0 | 0 | 113.3 | P208 L211 H283 H284 L312 | P208-E281 HydrophobicContact CG-CB 3.95Å; P208-E281 HydrophobicContact CG-CG 4.09Å; L211-E281 HydrophobicContact CD1-CG 3.7Å; E281-H283 PolarHBondContact O-N 3.21Å; E281-H283 IonicContact OE2-CE1 3.15Å; E281-H283 PolarHBondContact OE2-CE1 3.14Å; E281-H283 IonicContact OE2-ND1 3.93Å; E281-H283 PolarHBondContact OE2-ND1 3.14Å; E281-H284 PolarHBondContact O-CD2 2.84Å; E281-H284 PolarHBondContact O-N 3.17Å; E281-L312 PolarHBondContact N-O 3.32Å |
| 282 | A | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -59.6 | -10.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D280 H284 L285 L311 L312 R327 | D280-A282 VanDerWaalsContact C-N 3.25Å; D280-A282 PolarHBondContact O-N 2.81Å; A282-H284 PolarHBondContact O-N 3.4Å; A282-L285 HydrophobicContact CB-CD1 4.22Å; A282-L285 WeakPolarHBondContact O-CB 3.04Å; A282-L285 WeakPolarHBondContact O-CG 3.18Å; A282-L285 PolarHBondContact O-N 3.12Å; A282-L311 HydrophobicContact CB-CB 4.2Å; A282-L311 HydrophobicContact CB-CD2 4.5Å; A282-L312 WeakPolarHBondContact CB-O 3.35Å; A282-L312 PolarHBondContact N-O 2.7Å; A282-R327 HydrophobicContact CB-CG 4.43Å |
| 283 | H | 83.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 49 Ų | 49 | 12% | 0.116 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -68.4 | -16.4 | 171.9 | 70.9 | -92 | 0 | 0 | 0 | 113.1 | E281 L285 T315 L319 | E281-H283 PolarHBondContact O-N 3.21Å; E281-H283 IonicContact OE2-CE1 3.15Å; E281-H283 PolarHBondContact OE2-CE1 3.14Å; E281-H283 IonicContact OE2-ND1 3.93Å; E281-H283 PolarHBondContact OE2-ND1 3.14Å; H283-L285 PolarHBondContact O-N 2.93Å; H283-T315 WeakPolarHBondContact CB-OG1 3.46Å; H283-L319 HydrophobicContact CB-CD1 3.9Å; H283-L319 WeakPolarHBondContact O-CD1 3.42Å |
| 284 | H | 83.7 | Confident | 89.3 | Confident | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -75.3 | -10.3 | 171.2 | -66.7 | -48 | 0 | 0 | 0 | 113.9 | E281 A282 V286 | E281-H284 PolarHBondContact O-CD2 2.84Å; E281-H284 PolarHBondContact O-N 3.17Å; A282-H284 PolarHBondContact O-N 3.4Å; H284-V286 PolarHBondContact O-N 3.02Å |
| 285 | L | 88 | Confident | 89 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -78.4 | 87.2 | 178.7 | -54.3 | 178.2 | 0 | 0 | 0 | 109.9 | L256 V279 A282 H283 E295 Y296 I299 L330 | L256-L285 HydrophobicContact CD2-CD2 3.88Å; V279-L285 HydrophobicContact CG1-CD1 4.45Å; A282-L285 HydrophobicContact CB-CD1 4.22Å; A282-L285 WeakPolarHBondContact O-CB 3.04Å; A282-L285 WeakPolarHBondContact O-CG 3.18Å; A282-L285 PolarHBondContact O-N 3.12Å; H283-L285 PolarHBondContact O-N 2.93Å; L285-E295 HydrophobicContact CD2-CB 4.08Å; L285-Y296 HydrophobicContact CB-CD2 4.12Å; L285-I299 HydrophobicContact CD1-CB 4.3Å; L285-I299 HydrophobicContact CD1-CG1 4.17Å; L285-I299 HydrophobicContact CD1-CG2 4.16Å; L285-I299 HydrophobicContact CD2-CG1 3.89Å; L285-L330 HydrophobicContact CD1-CD1 3.74Å | ||
| 286 | V | 84.1 | Confident | 88.8 | Confident | 94 Ų | 94 | 50 Ų | 50 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | trans | -72.6 | 131.5 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | H284 S293 | H284-V286 PolarHBondContact O-N 3.02Å; V286-S293 PolarHBondContact N-OG 3.47Å; V286-S293 WeakPolarHBondContact O-CB 3.44Å; V286-S293 PolarHBondContact O-N 3.43Å; V286-S293 PolarHBondContact O-OG 3Å | ||
| 287 | W | 85.1 | Confident | 88.6 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | trans | -135.4 | 141.1 | -179.4 | -176.9 | 89.1 | 0 | 0 | 0 | 110.7 | E289 Y296 E322 F325 A326 | W287-E289 HydrophobicContact CH2-CB 3.82Å; W287-E289 HydrophobicContact CH2-CG 4.36Å; W287-E289 HydrophobicContact CZ2-CB 4.22Å; W287-Y296 HydrophobicContact CB-CD2 3.95Å; W287-Y296 HydrophobicContact CB-CE2 4.14Å; W287-Y296 HydrophobicContact CB-CG 4.32Å; W287-Y296 AromaticContact CD1-CD1 3.58Å; W287-Y296 AromaticContact CD1-CD2 3.98Å; W287-Y296 AromaticContact CD1-CE1 3.34Å; W287-Y296 AromaticContact CD1-CE2 3.76Å; W287-Y296 AromaticContact CD1-CG 3.89Å; W287-Y296 AromaticContact CD1-CZ 3.43Å; W287-Y296 VanDerWaalsContact CD1-CZ 3.43Å; W287-Y296 HydrophobicContact CG-CD2 4.3Å; W287-Y296 HydrophobicContact CG-CE1 4.41Å; W287-Y296 HydrophobicContact CG-CE2 4.14Å; W287-Y296 AromaticContact NE1-CE1 3.82Å; W287-Y296 AromaticContact NE1-CZ 3.96Å; W287-E322 HydrophobicContact CE3-CB 4.5Å; W287-E322 HydrophobicContact CZ3-CB 4.48Å; W287-F325 HydrophobicContact CH2-CD1 4.31Å; W287-F325 HydrophobicContact CH2-CE1 4.19Å; W287-F325 HydrophobicContact CZ3-CD1 4.25Å; W287-A326 HydrophobicContact CB-CB 3.35Å; W287-A326 HydrophobicContact CD2-CB 3.73Å; W287-A326 HydrophobicContact CE3-CB 3.99Å; W287-A326 HydrophobicContact CG-CB 3.45Å; W287-A326 VanDerWaalsContact CG-CB 3.45Å | ||
| 288 | S | 81.4 | Confident | 88.4 | Confident | 41 Ų | 41 | 54.4 Ų | 54.4 | 29% | 0.287 | 28% | 0.279 | S | S | . | . | trans | -142.4 | 154.1 | 161.6 | 66.5 | 0 | 0 | 0 | 0 | 107.7 | D290 A291 P292 | S288-D290 PolarHBondContact O-N 3.32Å; S288-A291 PolarHBondContact O-N 3.37Å; S288-A291 VanDerWaalsContact OG-C 3.28Å; S288-A291 WeakPolarHBondContact OG-CA 3.31Å; S288-A291 PolarHBondContact OG-N 3.36Å; S288-A291 VanDerWaalsContact OG-N 3.08Å; S288-A291 PolarHBondContact OG-O 3.29Å; S288-A291 VanDerWaalsContact OG-O 3.11Å; S288-P292 WeakPolarHBondContact O-CD 3.4Å | ||
| 289 | E | 77.6 | Confident | 88.2 | Confident | 161 Ų | 161 | 54.4 Ų | 54.4 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -58.7 | -38 | -177.2 | -166.4 | 174.5 | 178 | 0 | 0 | 112.2 | W287 | W287-E289 HydrophobicContact CH2-CB 3.82Å; W287-E289 HydrophobicContact CH2-CG 4.36Å; W287-E289 HydrophobicContact CZ2-CB 4.22Å |
| 290 | D | 81.4 | Confident | 88.2 | Confident | 164 Ų | 164 | 56 Ų | 56 | 88% | 0.877 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -87 | -24.2 | -178.8 | -67.3 | -43.5 | 0 | 0 | 0 | 114.2 | S288 | S288-D290 PolarHBondContact O-N 3.32Š|
| 291 | A | 85.2 | Confident | 88.2 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 55% | 0.554 | 30% | 0.3 | S | S | * | . | trans | -152.2 | 69 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S288 | S288-A291 PolarHBondContact O-N 3.37Å; S288-A291 VanDerWaalsContact OG-C 3.28Å; S288-A291 WeakPolarHBondContact OG-CA 3.31Å; S288-A291 PolarHBondContact OG-N 3.36Å; S288-A291 VanDerWaalsContact OG-N 3.08Å; S288-A291 PolarHBondContact OG-O 3.29Å; S288-A291 VanDerWaalsContact OG-O 3.11Å | ||
| 292 | P | 86.8 | Confident | 88.6 | Confident | 36 Ų | 36 | 57 Ų | 57 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | trans | -61.5 | 142.5 | 174 | 27.6 | -34.8 | 0 | 0 | 0 | 110.6 | S288 Y296 Q297 | S288-P292 WeakPolarHBondContact O-CD 3.4Å; P292-Y296 HydrophobicContact CB-CD1 4.07Å; P292-Q297 HydrophobicContact CB-CG 4.23Å; P292-Q297 HydrophobicContact CG-CG 4.08Å | ||
| 293 | S | 89.3 | Confident | 88.8 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | trans | -61.4 | 152.4 | 173.9 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | V286 E295 Y296 Q297 | V286-S293 PolarHBondContact N-OG 3.47Å; V286-S293 WeakPolarHBondContact O-CB 3.44Å; V286-S293 PolarHBondContact O-N 3.43Å; V286-S293 PolarHBondContact O-OG 3Å; S293-E295 PolarHBondContact O-N 2.96Å; S293-E295 VanDerWaalsContact O-N 3.09Å; S293-Y296 PolarHBondContact O-N 3.5Å; S293-Y296 WeakPolarHBondContact OG-CB 3.5Å; S293-Y296 PolarHBondContact OG-N 2.93Å; S293-Y296 VanDerWaalsContact OG-N 3.1Å; S293-Q297 WeakPolarHBondContact O-CG 3.45Å; S293-Q297 PolarHBondContact O-N 3.04Å | ||
| 294 | R | 89.3 | Confident | 89.3 | Confident | 187 Ų | 187 | 62.3 Ų | 62.3 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.1 | -24.3 | 172.9 | -71.4 | -179.8 | -178.6 | -176.8 | 0.1 | 110.8 | R260 A298 | R260-R294 VanDerWaalsContact NH1-CA 3.33Å; R260-R294 PolarHBondContact NH1-O 3.01Å; R294-A298 WeakPolarHBondContact O-CB 3.27Å; R294-A298 PolarHBondContact O-N 2.77Å |
| 295 | E | 91.4 | Very high | 89.8 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.7 | -49.5 | -173 | -76.9 | 76.5 | -178.8 | 0 | 0 | 107.2 | L256 R260 L285 S293 A298 I299 | L256-E295 HydrophobicContact CD2-CB 3.86Å; L256-E295 HydrophobicContact CD2-CG 3.99Å; R260-E295 IonicContact CZ-OE1 2.62Å; R260-E295 IonicContact CZ-OE2 2.67Å; R260-E295 IonicContact NE-OE1 3.74Å; R260-E295 VanDerWaalsContact NH1-CG 3.33Å; R260-E295 IonicContact NH1-OE1 3.52Å; R260-E295 PolarHBondContact NH1-OE1 2.97Å; R260-E295 IonicContact NH1-OE2 3.52Å; R260-E295 PolarHBondContact NH1-OE2 2.74Å; R260-E295 IonicContact NH2-OE1 3.9Å; R260-E295 PolarHBondContact NH2-OE1 2.95Å; R260-E295 IonicContact NH2-OE2 2.8Å; R260-E295 PolarHBondContact NH2-OE2 2.88Å; L285-E295 HydrophobicContact CD2-CB 4.08Å; S293-E295 PolarHBondContact O-N 2.96Å; S293-E295 VanDerWaalsContact O-N 3.09Å; E295-A298 PolarHBondContact O-N 2.84Å; E295-I299 WeakPolarHBondContact O-CG1 3.26Å; E295-I299 PolarHBondContact O-N 3.2Å |
| 296 | Y | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.4 | -48.7 | 169.3 | -175.7 | -82.1 | 0 | 0 | 0 | 111.5 | L285 W287 P292 S293 A298 I299 E300 A326 L330 | L285-Y296 HydrophobicContact CB-CD2 4.12Å; W287-Y296 HydrophobicContact CB-CD2 3.95Å; W287-Y296 HydrophobicContact CB-CE2 4.14Å; W287-Y296 HydrophobicContact CB-CG 4.32Å; W287-Y296 AromaticContact CD1-CD1 3.58Å; W287-Y296 AromaticContact CD1-CD2 3.98Å; W287-Y296 AromaticContact CD1-CE1 3.34Å; W287-Y296 AromaticContact CD1-CE2 3.76Å; W287-Y296 AromaticContact CD1-CG 3.89Å; W287-Y296 AromaticContact CD1-CZ 3.43Å; W287-Y296 VanDerWaalsContact CD1-CZ 3.43Å; W287-Y296 HydrophobicContact CG-CD2 4.3Å; W287-Y296 HydrophobicContact CG-CE1 4.41Å; W287-Y296 HydrophobicContact CG-CE2 4.14Å; W287-Y296 AromaticContact NE1-CE1 3.82Å; W287-Y296 AromaticContact NE1-CZ 3.96Å; P292-Y296 HydrophobicContact CB-CD1 4.07Å; S293-Y296 PolarHBondContact O-N 3.5Å; S293-Y296 WeakPolarHBondContact OG-CB 3.5Å; S293-Y296 PolarHBondContact OG-N 2.93Å; S293-Y296 VanDerWaalsContact OG-N 3.1Å; Y296-A298 VanDerWaalsContact C-N 3.33Å; Y296-A298 PolarHBondContact O-N 2.94Å; Y296-I299 PolarHBondContact O-N 3.49Å; Y296-E300 HydrophobicContact CD1-CB 4.4Å; Y296-E300 HydrophobicContact CE1-CB 4.16Å; Y296-E300 HydrophobicContact CE1-CG 4.36Å; Y296-E300 WeakPolarHBondContact O-CB 3.4Å; Y296-E300 PolarHBondContact O-N 3.19Å; Y296-A326 HydrophobicContact CD2-CB 4.39Å; Y296-A326 HydrophobicContact CE2-CB 3.67Å; Y296-A326 WeakPolarHBondContact CE2-O 3.32Å; Y296-A326 PolarHBondContact OH-O 3.09Å; Y296-A326 VanDerWaalsContact OH-O 3.13Å; Y296-L330 HydrophobicContact CD2-CD1 4.13Å; Y296-L330 HydrophobicContact CD2-CD2 4.45Å; Y296-L330 HydrophobicContact CD2-CG 4.43Å; Y296-L330 HydrophobicContact CE1-CD2 4.07Å; Y296-L330 HydrophobicContact CE2-CD1 3.75Å; Y296-L330 HydrophobicContact CE2-CD2 3.83Å; Y296-L330 HydrophobicContact CE2-CG 3.64Å |
| 297 | Q | 92.8 | Very high | 90.6 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | -178.8 | -71.4 | 176.7 | -35.6 | 0 | 0 | 113.4 | P292 S293 E300 Q301 | P292-Q297 HydrophobicContact CB-CG 4.23Å; P292-Q297 HydrophobicContact CG-CG 4.08Å; S293-Q297 WeakPolarHBondContact O-CG 3.45Å; S293-Q297 PolarHBondContact O-N 3.04Å; Q297-E300 PolarHBondContact O-N 3.49Å; Q297-Q301 PolarHBondContact O-N 3.15Å |
| 298 | A | 94.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.033 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L256 R260 L266 R294 E295 Y296 L302 | L256-A298 HydrophobicContact CD1-CB 4.34Å; R260-A298 HydrophobicContact CG-CB 3.86Å; L266-A298 HydrophobicContact CD1-CB 4.17Å; L266-A298 HydrophobicContact CD2-CB 3.93Å; R294-A298 WeakPolarHBondContact O-CB 3.27Å; R294-A298 PolarHBondContact O-N 2.77Å; E295-A298 PolarHBondContact O-N 2.84Å; Y296-A298 VanDerWaalsContact C-N 3.33Å; Y296-A298 PolarHBondContact O-N 2.94Å; A298-L302 WeakPolarHBondContact O-CG 3.47Å; A298-L302 PolarHBondContact O-N 3.22Å |
| 299 | I | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 175.2 | -62.7 | -54.5 | 0 | 0 | 0 | 111.3 | I206 L256 V279 L285 E295 Y296 L302 A303 L330 | I206-I299 HydrophobicContact CB-CD1 4.45Å; I206-I299 HydrophobicContact CD1-CD1 3.9Å; I206-I299 HydrophobicContact CG2-CD1 4.11Å; L256-I299 HydrophobicContact CD1-CD1 3.77Å; L256-I299 HydrophobicContact CD1-CG1 4.08Å; L256-I299 HydrophobicContact CD2-CG1 4.47Å; V279-I299 HydrophobicContact CG1-CD1 4.18Å; V279-I299 HydrophobicContact CG1-CG1 4.4Å; V279-I299 HydrophobicContact CG2-CD1 3.89Å; V279-I299 HydrophobicContact CG2-CG2 4.03Å; L285-I299 HydrophobicContact CD1-CB 4.3Å; L285-I299 HydrophobicContact CD1-CG1 4.17Å; L285-I299 HydrophobicContact CD1-CG2 4.16Å; L285-I299 HydrophobicContact CD2-CG1 3.89Å; E295-I299 WeakPolarHBondContact O-CG1 3.26Å; E295-I299 PolarHBondContact O-N 3.2Å; Y296-I299 PolarHBondContact O-N 3.49Å; I299-L302 HydrophobicContact CD1-CD1 4.45Å; I299-L302 PolarHBondContact O-N 3.33Å; I299-A303 WeakPolarHBondContact O-CB 3.28Å; I299-A303 PolarHBondContact O-N 2.86Å; I299-L330 HydrophobicContact CG2-CD1 3.95Å; I299-L330 HydrophobicContact CG2-CD2 4.32Å |
| 300 | E | 95.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.9 | -172.7 | 172.9 | -129 | 0 | 0 | 110.6 | Y296 Q297 L302 A303 E304 R329 L330 | Y296-E300 HydrophobicContact CD1-CB 4.4Å; Y296-E300 HydrophobicContact CE1-CB 4.16Å; Y296-E300 HydrophobicContact CE1-CG 4.36Å; Y296-E300 WeakPolarHBondContact O-CB 3.4Å; Y296-E300 PolarHBondContact O-N 3.19Å; Q297-E300 PolarHBondContact O-N 3.49Å; E300-L302 VanDerWaalsContact C-N 3.34Å; E300-L302 PolarHBondContact O-N 3.48Å; E300-A303 PolarHBondContact O-N 3.13Å; E300-E304 WeakPolarHBondContact O-CG 3.46Å; E300-E304 PolarHBondContact O-N 3.18Å; E300-R329 IonicContact OE1-CZ 2.74Å; E300-R329 IonicContact OE1-NE 2.61Å; E300-R329 PolarHBondContact OE1-NE 2.96Å; E300-R329 IonicContact OE1-NH2 3.33Å; E300-R329 PolarHBondContact OE1-NH2 3.12Å; E300-L330 HydrophobicContact CB-CD2 3.72Å; E300-L330 HydrophobicContact CG-CD2 4.23Å |
| 301 | Q | 94.6 | Very high | 93.6 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.7 | -41.8 | 177.7 | -168.8 | -177.9 | -1.3 | 0 | 0 | 112.6 | Q297 H305 | Q297-Q301 PolarHBondContact O-N 3.15Å; Q301-H305 PolarHBondContact O-ND1 3.46Å |
| 302 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 176.4 | -70.8 | 165.9 | 0 | 0 | 0 | 111.4 | L204 I206 L266 L269 L277 A298 I299 E300 E304 H305 V306 | L204-L302 HydrophobicContact CD2-CD2 4.39Å; I206-L302 HydrophobicContact CD1-CD1 3.33Å; L266-L302 HydrophobicContact CD1-CD1 4.1Å; L266-L302 HydrophobicContact CD1-CD2 4.36Å; L266-L302 HydrophobicContact CD1-CG 4.04Å; L269-L302 HydrophobicContact CB-CD2 3.75Å; L277-L302 HydrophobicContact CD2-CB 4Å; A298-L302 WeakPolarHBondContact O-CG 3.47Å; A298-L302 PolarHBondContact O-N 3.22Å; I299-L302 HydrophobicContact CD1-CD1 4.45Å; I299-L302 PolarHBondContact O-N 3.33Å; E300-L302 VanDerWaalsContact C-N 3.34Å; E300-L302 PolarHBondContact O-N 3.48Å; L302-E304 PolarHBondContact O-N 3.48Å; L302-H305 PolarHBondContact O-N 3.07Å; L302-V306 WeakPolarHBondContact O-CG2 3.5Å; L302-V306 PolarHBondContact O-N 3.01Å |
| 303 | A | 95.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -24.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R172 I299 E300 V309 | R172-A303 PolarHBondContact NH1-O 3.3Å; R172-A303 VanDerWaalsContact NH1-O 3.09Å; R172-A303 PolarHBondContact NH2-O 2.8Å; I299-A303 WeakPolarHBondContact O-CB 3.28Å; I299-A303 PolarHBondContact O-N 2.86Å; E300-A303 PolarHBondContact O-N 3.13Å; A303-V309 HydrophobicContact CB-CG2 4.14Å |
| 304 | E | 93.7 | Very high | 93.7 | Very high | 135 Ų | 135 | 36.8 Ų | 36.8 | 63% | 0.631 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -69.8 | -32 | 171.1 | -76.9 | 178.7 | 174.9 | 0 | 0 | 113.2 | E300 L302 | E300-E304 WeakPolarHBondContact O-CG 3.46Å; E300-E304 PolarHBondContact O-N 3.18Å; L302-E304 PolarHBondContact O-N 3.48Å |
| 305 | H | 93.9 | Very high | 92.9 | Very high | 111 Ų | 111 | 28.8 Ų | 28.8 | 51% | 0.514 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -95.8 | -29.2 | -177.1 | -66.1 | 79.3 | 0 | 0 | 0 | 112.8 | Q301 L302 | Q301-H305 PolarHBondContact O-ND1 3.46Å; L302-H305 PolarHBondContact O-N 3.07Å |
| 306 | V | 96.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | trans | -89.6 | 124.6 | -178.2 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | R172 W274 L277 L302 G308 | R172-V306 PolarHBondContact NH1-O 3.29Å; W274-V306 HydrophobicContact CB-CG1 3.98Å; W274-V306 HydrophobicContact CB-CG2 3.87Å; W274-V306 HydrophobicContact CG-CG2 4.32Å; L277-V306 HydrophobicContact CB-CB 4.16Å; L277-V306 HydrophobicContact CB-CG1 3.83Å; L277-V306 HydrophobicContact CB-CG2 4.36Å; L302-V306 WeakPolarHBondContact O-CG2 3.5Å; L302-V306 PolarHBondContact O-N 3.01Å; V306-G308 VanDerWaalsContact CG1-O 3.3Å; V306-G308 WeakPolarHBondContact CG1-O 3.41Å | ||
| 307 | P | 93.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 28.6 Ų | 28.6 | 35% | 0.351 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -62.3 | -50.7 | -177.1 | -25.2 | 35.5 | 0 | 0 | 0 | 114 | A170 R172 W274 R932 | A170-P307 HydrophobicContact CB-CB 3.72Å; R172-P307 WeakPolarHBondContact CD-O 3.44Å; R172-P307 PolarHBondContact NH1-O 3.01Å; W274-P307 WeakPolarHBondContact O-CD 3.23Å; P307-R932 PolarHBondContact O-NH1 3.44Å |
| 308 | G | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 139.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P171 D275 L276 L277 V306 | P171-G308 CarbonylContact O-C 3.53Å; P171-G308 WeakPolarHBondContact O-CA 3.39Å; D275-G308 PolarHBondContact O-N 3.2Å; L276-G308 WeakPolarHBondContact CA-O 3.35Å; L276-G308 VanDerWaalsContact CD1-C 3.47Å; L277-G308 PolarHBondContact N-O 2.87Å; V306-G308 VanDerWaalsContact CG1-O 3.3Å; V306-G308 WeakPolarHBondContact CG1-O 3.41Å |
| 309 | V | 97.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 119.2 | -178 | -178.6 | 0 | 0 | 0 | 0 | 111 | P171 R172 V173 L277 A303 L311 L331 | P171-V309 PolarHBondContact O-N 2.96Å; R172-V309 CarbonylContact C-O 3.55Å; R172-V309 WeakPolarHBondContact CA-O 3.36Å; R172-V309 HydrophobicContact CG-CB 4.28Å; R172-V309 VanDerWaalsContact CZ-CG2 3.44Å; V173-V309 PolarHBondContact N-O 3.07Å; L277-V309 HydrophobicContact CB-CG2 4.4Å; L277-V309 HydrophobicContact CD2-CG1 4.48Å; L277-V309 CarbonylContact O-C 3.6Å; L277-V309 WeakPolarHBondContact O-CA 3.49Å; A303-V309 HydrophobicContact CB-CG2 4.14Å; V309-L311 HydrophobicContact CG1-CD2 3.96Å; V309-L311 HydrophobicContact CG1-CG 4.13Å; V309-L331 HydrophobicContact CB-CD2 4.02Å; V309-L331 HydrophobicContact CG1-CD2 3.78Å |
| 310 | L | 98 | Very high | 85.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.5 | 172.1 | -56.5 | -179.7 | 0 | 0 | 0 | 109.3 | V165 V173 I190 L276 L277 V278 V279 L312 | V165-L310 HydrophobicContact CG1-CD2 4.24Å; V173-L310 HydrophobicContact CB-CD2 4.08Å; V173-L310 WeakPolarHBondContact O-CA 3.35Å; I190-L310 HydrophobicContact CB-CD1 4.21Å; I190-L310 HydrophobicContact CD1-CD1 4.36Å; I190-L310 HydrophobicContact CG2-CD1 3.72Å; L276-L310 HydrophobicContact CD1-CG 4.11Å; L276-L310 HydrophobicContact CD2-CD1 4.45Å; L277-L310 PolarHBondContact O-N 3.09Å; V278-L310 CarbonylContact C-O 3.54Å; V278-L310 WeakPolarHBondContact CA-O 3.44Å; V278-L310 HydrophobicContact CG1-CB 4.35Å; V278-L310 HydrophobicContact CG2-CB 4.26Å; V278-L310 HydrophobicContact CG2-CD1 4.22Å; V279-L310 PolarHBondContact N-O 3.42Å; L310-L312 HydrophobicContact CB-CD1 4.23Å |
| 311 | L | 97.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.9 | 173.3 | -61 | -178 | 0 | 0 | 0 | 109 | V173 L174 L175 V279 A282 V309 R327 L330 L331 | V173-L311 PolarHBondContact O-N 3.32Å; L174-L311 CarbonylContact C-O 3.59Å; L174-L311 WeakPolarHBondContact CA-O 3.44Å; L174-L311 HydrophobicContact CD1-CB 3.52Å; L175-L311 PolarHBondContact N-O 3.03Å; V279-L311 HydrophobicContact CB-CD2 3.71Å; V279-L311 HydrophobicContact CG2-CD2 3.91Å; A282-L311 HydrophobicContact CB-CB 4.2Å; A282-L311 HydrophobicContact CB-CD2 4.5Å; V309-L311 HydrophobicContact CG1-CD2 3.96Å; V309-L311 HydrophobicContact CG1-CG 4.13Å; L311-R327 HydrophobicContact CD1-CB 4.23Å; L311-R327 WeakPolarHBondContact CD1-O 3.49Å; L311-L330 HydrophobicContact CD1-CB 4.05Å; L311-L330 HydrophobicContact CD1-CD1 4.2Å; L311-L331 HydrophobicContact CD1-CD1 4.43Å; L311-L331 HydrophobicContact CD1-CD2 3.85Å; L311-L331 HydrophobicContact CD1-CG 3.92Å; L311-L331 HydrophobicContact CG-CD2 3.86Å; L311-L331 HydrophobicContact CG-CG 4.44Å |
| 312 | L | 95.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.1 | 178.2 | -74.8 | 64 | 0 | 0 | 0 | 109.7 | L175 K183 A187 W215 V278 V279 D280 E281 A282 L310 | L175-L312 HydrophobicContact CB-CG 4.18Å; L175-L312 HydrophobicContact CD1-CD1 4.12Å; L175-L312 HydrophobicContact CD1-CG 4.21Å; L175-L312 WeakPolarHBondContact O-CA 3.3Å; K183-L312 HydrophobicContact CB-CD2 4.03Å; K183-L312 HydrophobicContact CB-CG 4.27Å; A187-L312 HydrophobicContact CB-CD1 4.16Å; A187-L312 HydrophobicContact CB-CD2 3.89Å; W215-L312 HydrophobicContact CH2-CD2 3.83Å; W215-L312 HydrophobicContact CZ2-CD2 3.67Å; V278-L312 HydrophobicContact CG1-CD1 3.8Å; V279-L312 PolarHBondContact O-N 2.85Å; D280-L312 WeakPolarHBondContact OD1-CB 3.35Å; E281-L312 PolarHBondContact N-O 3.32Å; A282-L312 WeakPolarHBondContact CB-O 3.35Å; A282-L312 PolarHBondContact N-O 2.7Å; L310-L312 HydrophobicContact CB-CD1 4.23Å |
| 313 | T | 89.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -153.7 | 145.8 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | L174 L175 A176 K183 T315 R327 | L174-T313 HydrophobicContact CD1-CG2 3.6Å; L174-T313 HydrophobicContact CD2-CG2 4.47Å; L174-T313 HydrophobicContact CG-CG2 4.16Å; L175-T313 PolarHBondContact O-N 2.85Å; A176-T313 CarbonylContact C-O 3.54Å; A176-T313 WeakPolarHBondContact CA-O 3.42Å; A176-T313 HydrophobicContact CB-CG2 3.91Å; K183-T313 WeakPolarHBondContact CD-O 3.28Å; K183-T313 VanDerWaalsContact CE-C 3.48Å; K183-T313 VanDerWaalsContact CE-O 3.31Å; K183-T313 WeakPolarHBondContact CE-O 3.43Å; T313-T315 PolarHBondContact OG1-N 3.26Å; T313-R327 PolarHBondContact OG1-NH1 2.96Å | ||
| 314 | A | 79.2 | Confident | 82.3 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -92.2 | -12.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113 | V179 | V179-A314 HydrophobicContact CG2-CB 3.44Å; V179-A314 VanDerWaalsContact CG2-CB 3.44Å |
| 315 | T | 70.5 | Confident | 82 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | trans | -134.9 | 70.9 | -161.2 | 55.5 | 0 | 0 | 0 | 0 | 110 | H283 T313 E317 R327 | H283-T315 WeakPolarHBondContact CB-OG1 3.46Å; T313-T315 PolarHBondContact OG1-N 3.26Å; T315-E317 PolarHBondContact O-N 3.04Å; T315-R327 PolarHBondContact O-NH1 3.17Å | ||
| 316 | P | 65.4 | Low | 81.8 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -61.7 | -45.7 | -176.9 | 23.9 | -32.1 | 0 | 0 | 0 | 112.1 | A176 H324 R327 | A176-P316 HydrophobicContact CB-CB 4.18Å; A176-P316 HydrophobicContact CB-CG 4.11Å; P316-H324 WeakPolarHBondContact O-CB 3.29Å; P316-H324 PolarHBondContact O-ND1 3.22Å; P316-R327 PolarHBondContact O-NH2 3.35Å |
| 317 | E | 62.6 | Low | 81.5 | Confident | 57 Ų | 57 | 22.7 Ų | 22.7 | 27% | 0.266 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -110.6 | -11.1 | -170.8 | -64 | -173.7 | 173.9 | 0 | 0 | 115.5 | T315 L319 G320 H324 R685 | T315-E317 PolarHBondContact O-N 3.04Å; E317-L319 PolarHBondContact O-N 3.05Å; E317-L319 VanDerWaalsContact O-N 3.13Å; E317-G320 WeakPolarHBondContact O-CA 3.38Å; E317-G320 PolarHBondContact O-N 2.9Å; E317-H324 HydrophobicContact CG-CB 4.47Å; E317-R685 IonicContact OE1-CZ 3.76Å; E317-R685 IonicContact OE1-NH1 3.46Å; E317-R685 PolarHBondContact OE1-NH1 3.18Å |
| 318 | Q | 55.6 | Low | 81.3 | Confident | 35 Ų | 35 | 20.1 Ų | 20.1 | 16% | 0.164 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.5 | -172.9 | -71.5 | 177.5 | -8.4 | 0 | 0 | 114.2 | G320 P637 | Q318-G320 VanDerWaalsContact C-N 3.25Å; Q318-G320 PolarHBondContact O-N 2.88Å; Q318-P637 VanDerWaalsContact CD-O 3.3Å; Q318-P637 VanDerWaalsContact CG-O 3.26Å; Q318-P637 WeakPolarHBondContact CG-O 3.49Å; Q318-P637 VanDerWaalsContact NE2-C 3.34Å; Q318-P637 PolarHBondContact NE2-O 3.07Å |
| 319 | L | 53.7 | Low | 81.1 | Confident | 79 Ų | 79 | 23.4 Ų | 23.4 | 41% | 0.414 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8.2 | 176.2 | -64.3 | 172.4 | 0 | 0 | 0 | 113.1 | H283 E317 | H283-L319 HydrophobicContact CB-CD1 3.9Å; H283-L319 WeakPolarHBondContact O-CD1 3.42Å; E317-L319 PolarHBondContact O-N 3.05Å; E317-L319 VanDerWaalsContact O-N 3.13Å |
| 320 | G | 69.2 | Low | 80.9 | Confident | 34 Ų | 34 | 23.7 Ų | 23.7 | 35% | 0.351 | 13% | 0.125 | S | C | . | . | trans | 97.2 | 160.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E317 Q318 E322 S323 H324 | E317-G320 WeakPolarHBondContact O-CA 3.38Å; E317-G320 PolarHBondContact O-N 2.9Å; Q318-G320 VanDerWaalsContact C-N 3.25Å; Q318-G320 PolarHBondContact O-N 2.88Å; G320-E322 PolarHBondContact O-N 3.24Å; G320-S323 PolarHBondContact O-N 3.21Å; G320-H324 PolarHBondContact O-N 3.21Å | ||
| 321 | M | 76.2 | Confident | 80.6 | Confident | 69 Ų | 69 | 23.9 Ų | 23.9 | 34% | 0.34 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.5 | -32 | -178.8 | -66 | -170.4 | 73.4 | 0 | 0 | 112.9 | H324 F325 F339 F342 V343 Q346 | M321-H324 PolarHBondContact O-N 3.04Å; M321-F325 WeakPolarHBondContact O-CB 3.44Å; M321-F325 PolarHBondContact O-N 3.41Å; M321-F339 HydrophobicContact CB-CE2 3.85Å; M321-F339 HydrophobicContact CB-CZ 3.83Å; M321-F342 HydrophobicContact CE-CE1 4.47Å; M321-V343 HydrophobicContact CE-CB 4.46Å; M321-V343 HydrophobicContact CE-CG1 4.48Å; M321-V343 HydrophobicContact CE-CG2 3.88Å; M321-V343 HydrophobicContact SD-CG2 4.33Å; M321-Q346 HydrophobicContact CE-CB 4.37Å; M321-Q346 HydrophobicContact CE-CG 4.08Å |
| 322 | E | 81.9 | Confident | 80.2 | Confident | 99 Ų | 99 | 25 Ų | 25 | 46% | 0.463 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | 178.1 | -68.7 | -179.8 | 174.4 | 0 | 0 | 112 | W287 G320 H324 F325 A326 F339 | W287-E322 HydrophobicContact CE3-CB 4.5Å; W287-E322 HydrophobicContact CZ3-CB 4.48Å; G320-E322 PolarHBondContact O-N 3.24Å; E322-H324 VanDerWaalsContact C-N 3.32Å; E322-H324 PolarHBondContact O-N 3.16Å; E322-F325 PolarHBondContact O-N 3.15Å; E322-A326 WeakPolarHBondContact O-CB 3.12Å; E322-A326 PolarHBondContact O-N 3.24Å; E322-F339 HydrophobicContact CB-CE2 4.44Å; E322-F339 HydrophobicContact CB-CZ 4.42Å; E322-F339 HydrophobicContact CG-CD1 4.22Å; E322-F339 HydrophobicContact CG-CD2 4.44Å; E322-F339 HydrophobicContact CG-CE1 3.66Å; E322-F339 HydrophobicContact CG-CE2 3.91Å; E322-F339 HydrophobicContact CG-CZ 3.48Å; E322-F339 VanDerWaalsContact CG-CZ 3.48Å |
| 323 | S | 80.9 | Confident | 79.8 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 112 | G320 R327 | G320-S323 PolarHBondContact O-N 3.21Å; S323-R327 PolarHBondContact O-N 3.33Å; S323-R327 PolarHBondContact O-NE 3.48Å; S323-R327 PolarHBondContact O-NH2 3.04Å; S323-R327 PolarHBondContact OG-NH2 3.19Å |
| 324 | H | 83.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -47.2 | 173.5 | -175.4 | 65.4 | 0 | 0 | 0 | 111.2 | P316 E317 G320 M321 E322 A326 R327 L328 F342 R685 | P316-H324 WeakPolarHBondContact O-CB 3.29Å; P316-H324 PolarHBondContact O-ND1 3.22Å; E317-H324 HydrophobicContact CG-CB 4.47Å; G320-H324 PolarHBondContact O-N 3.21Å; M321-H324 PolarHBondContact O-N 3.04Å; E322-H324 VanDerWaalsContact C-N 3.32Å; E322-H324 PolarHBondContact O-N 3.16Å; H324-A326 VanDerWaalsContact C-N 3.34Å; H324-A326 PolarHBondContact O-N 2.8Å; H324-R327 PolarHBondContact O-N 3.28Å; H324-L328 WeakPolarHBondContact NE2-CD1 3.47Å; H324-L328 PolarHBondContact O-N 2.89Å; H324-F342 AromaticContact CD2-CZ 3.73Å; H324-R685 PolarHBondContact CD2-NH1 3.17Å; H324-R685 PolarHBondContact NE2-NH1 3.5Å; H324-R685 VanDerWaalsContact NE2-NH1 3.18Å; H324-R685 PolarHBondContact NE2-NH2 3.34Å |
| 325 | F | 87 | Confident | 79.6 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 175.6 | 171.9 | -99 | 0 | 0 | 0 | 112.2 | W287 M321 E322 R327 L328 R329 F336 F339 F342 | W287-F325 HydrophobicContact CH2-CD1 4.31Å; W287-F325 HydrophobicContact CH2-CE1 4.19Å; W287-F325 HydrophobicContact CZ3-CD1 4.25Å; M321-F325 WeakPolarHBondContact O-CB 3.44Å; M321-F325 PolarHBondContact O-N 3.41Å; E322-F325 PolarHBondContact O-N 3.15Å; F325-R327 VanDerWaalsContact C-N 3.33Å; F325-R327 PolarHBondContact O-N 3.16Å; F325-L328 WeakPolarHBondContact O-CB 3.47Å; F325-L328 PolarHBondContact O-N 2.87Å; F325-L328 VanDerWaalsContact O-N 3.11Å; F325-R329 PolarHBondContact O-N 3.49Å; F325-F336 HydrophobicContact CD2-CB 4.34Å; F325-F336 HydrophobicContact CE2-CB 3.84Å; F325-F336 HydrophobicContact CZ-CB 4.36Å; F325-F336 WeakPolarHBondContact CZ-O 3.33Å; F325-F339 HydrophobicContact CB-CD2 3.74Å; F325-F339 HydrophobicContact CB-CE2 4.12Å; F325-F339 HydrophobicContact CD1-CB 4.17Å; F325-F339 HydrophobicContact CD1-CD2 4.05Å; F325-F339 HydrophobicContact CD2-CD2 4.18Å; F325-F339 HydrophobicContact CE1-CB 4.07Å; F325-F339 HydrophobicContact CG-CB 4.44Å; F325-F339 AromaticContact CG-CD2 3.73Å; F325-F339 HydrophobicContact CG-CD2 3.73Å; F325-F339 HydrophobicContact CZ-CB 4.25Å; F325-F342 HydrophobicContact CB-CD1 4.18Å; F325-F342 HydrophobicContact CB-CE1 4.25Å; F325-F342 HydrophobicContact CD2-CB 3.8Å; F325-F342 AromaticContact CD2-CD1 3.9Å; F325-F342 HydrophobicContact CD2-CD1 3.9Å; F325-F342 HydrophobicContact CD2-CD2 4.31Å; F325-F342 AromaticContact CD2-CG 3.74Å; F325-F342 HydrophobicContact CD2-CG 3.74Å; F325-F342 HydrophobicContact CE2-CB 3.99Å; F325-F342 HydrophobicContact CE2-CG 4.38Å; F325-F342 HydrophobicContact CG-CD1 4.47Å |
| 326 | A | 88.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W287 Y296 E322 H324 R329 L330 | W287-A326 HydrophobicContact CB-CB 3.35Å; W287-A326 HydrophobicContact CD2-CB 3.73Å; W287-A326 HydrophobicContact CE3-CB 3.99Å; W287-A326 HydrophobicContact CG-CB 3.45Å; W287-A326 VanDerWaalsContact CG-CB 3.45Å; Y296-A326 HydrophobicContact CD2-CB 4.39Å; Y296-A326 HydrophobicContact CE2-CB 3.67Å; Y296-A326 WeakPolarHBondContact CE2-O 3.32Å; Y296-A326 PolarHBondContact OH-O 3.09Å; Y296-A326 VanDerWaalsContact OH-O 3.13Å; E322-A326 WeakPolarHBondContact O-CB 3.12Å; E322-A326 PolarHBondContact O-N 3.24Å; H324-A326 VanDerWaalsContact C-N 3.34Å; H324-A326 PolarHBondContact O-N 2.8Å; A326-R329 WeakPolarHBondContact O-CB 3.29Å; A326-R329 PolarHBondContact O-N 3.05Å; A326-L330 PolarHBondContact O-N 2.8Å; A326-L330 VanDerWaalsContact O-N 3.11Å |
| 327 | R | 91 | Very high | 81.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 175 | -79.4 | 169.6 | -78.2 | -179.8 | -6.8 | 112.4 | L174 A282 L311 T313 T315 P316 S323 H324 F325 R329 L330 L331 | L174-R327 HydrophobicContact CD2-CB 4.28Å; A282-R327 HydrophobicContact CB-CG 4.43Å; L311-R327 HydrophobicContact CD1-CB 4.23Å; L311-R327 WeakPolarHBondContact CD1-O 3.49Å; T313-R327 PolarHBondContact OG1-NH1 2.96Å; T315-R327 PolarHBondContact O-NH1 3.17Å; P316-R327 PolarHBondContact O-NH2 3.35Å; S323-R327 PolarHBondContact O-N 3.33Å; S323-R327 PolarHBondContact O-NE 3.48Å; S323-R327 PolarHBondContact O-NH2 3.04Å; S323-R327 PolarHBondContact OG-NH2 3.19Å; H324-R327 PolarHBondContact O-N 3.28Å; F325-R327 VanDerWaalsContact C-N 3.33Å; F325-R327 PolarHBondContact O-N 3.16Å; R327-R329 VanDerWaalsContact C-N 3.32Å; R327-L330 PolarHBondContact O-N 3.03Å; R327-L331 PolarHBondContact O-N 3.39Å |
| 328 | L | 89.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 174.1 | -68.7 | -179.2 | 0 | 0 | 0 | 111.8 | L174 H324 F325 L330 L331 D332 F336 F342 T413 V416 | L174-L328 HydrophobicContact CD2-CD2 4.35Å; H324-L328 WeakPolarHBondContact NE2-CD1 3.47Å; H324-L328 PolarHBondContact O-N 2.89Å; F325-L328 WeakPolarHBondContact O-CB 3.47Å; F325-L328 PolarHBondContact O-N 2.87Å; F325-L328 VanDerWaalsContact O-N 3.11Å; L328-L330 VanDerWaalsContact C-N 3.34Å; L328-L330 PolarHBondContact O-N 3.45Å; L328-L331 WeakPolarHBondContact O-CA 3.12Å; L328-L331 WeakPolarHBondContact O-CB 3.09Å; L328-L331 PolarHBondContact O-N 2.87Å; L328-D332 PolarHBondContact O-N 3.35Å; L328-F336 HydrophobicContact CB-CB 4.46Å; L328-F336 HydrophobicContact CB-CD1 3.93Å; L328-F336 HydrophobicContact CB-CD2 3.71Å; L328-F336 HydrophobicContact CB-CE1 4.05Å; L328-F336 HydrophobicContact CB-CE2 3.83Å; L328-F336 HydrophobicContact CB-CG 3.76Å; L328-F336 HydrophobicContact CB-CZ 4Å; L328-F336 HydrophobicContact CD1-CD1 4.18Å; L328-F336 HydrophobicContact CD1-CE1 3.73Å; L328-F336 HydrophobicContact CD1-CZ 3.99Å; L328-F336 HydrophobicContact CD2-CZ 4.39Å; L328-F336 HydrophobicContact CG-CE1 4.45Å; L328-F336 HydrophobicContact CG-CZ 4.37Å; L328-F336 WeakPolarHBondContact O-CD2 3.42Å; L328-F342 HydrophobicContact CD1-CE2 3.62Å; L328-F342 HydrophobicContact CD1-CZ 3.75Å; L328-T413 HydrophobicContact CD1-CG2 4.23Å; L328-V416 HydrophobicContact CD2-CG1 4.15Å |
| 329 | R | 91 | Very high | 83.8 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 26% | 0.26 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 174.2 | 178.5 | -179.3 | 153.6 | 175.8 | -5.8 | 113.4 | E300 F325 A326 R327 L331 D332 P333 F336 | E300-R329 IonicContact OE1-CZ 2.74Å; E300-R329 IonicContact OE1-NE 2.61Å; E300-R329 PolarHBondContact OE1-NE 2.96Å; E300-R329 IonicContact OE1-NH2 3.33Å; E300-R329 PolarHBondContact OE1-NH2 3.12Å; F325-R329 PolarHBondContact O-N 3.49Å; A326-R329 WeakPolarHBondContact O-CB 3.29Å; A326-R329 PolarHBondContact O-N 3.05Å; R327-R329 VanDerWaalsContact C-N 3.32Å; R329-L331 PolarHBondContact O-N 3.18Å; R329-D332 CarbonylContact O-C 3.19Å; R329-D332 PolarHBondContact O-N 2.99Å; R329-P333 HydrophobicContact CG-CB 4.34Å; R329-P333 WeakPolarHBondContact O-CA 3.37Å; R329-P333 WeakPolarHBondContact O-CD 3.5Å; R329-P333 VanDerWaalsContact O-N 3.09Å; R329-F336 HydrophobicContact CB-CB 4.1Å; R329-F336 WeakPolarHBondContact CG-O 3.43Å |
| 330 | L | 93.2 | Very high | 85.3 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -30.5 | 172 | -67.2 | 172.8 | 0 | 0 | 0 | 112.3 | R172 L285 Y296 I299 E300 L311 A326 R327 L328 | R172-L330 PolarHBondContact NH2-O 2.81Å; L285-L330 HydrophobicContact CD1-CD1 3.74Å; Y296-L330 HydrophobicContact CD2-CD1 4.13Å; Y296-L330 HydrophobicContact CD2-CD2 4.45Å; Y296-L330 HydrophobicContact CD2-CG 4.43Å; Y296-L330 HydrophobicContact CE1-CD2 4.07Å; Y296-L330 HydrophobicContact CE2-CD1 3.75Å; Y296-L330 HydrophobicContact CE2-CD2 3.83Å; Y296-L330 HydrophobicContact CE2-CG 3.64Å; I299-L330 HydrophobicContact CG2-CD1 3.95Å; I299-L330 HydrophobicContact CG2-CD2 4.32Å; E300-L330 HydrophobicContact CB-CD2 3.72Å; E300-L330 HydrophobicContact CG-CD2 4.23Å; L311-L330 HydrophobicContact CD1-CB 4.05Å; L311-L330 HydrophobicContact CD1-CD1 4.2Å; A326-L330 PolarHBondContact O-N 2.8Å; A326-L330 VanDerWaalsContact O-N 3.11Å; R327-L330 PolarHBondContact O-N 3.03Å; L328-L330 VanDerWaalsContact C-N 3.34Å; L328-L330 PolarHBondContact O-N 3.45Å |
| 331 | L | 92.4 | Very high | 86.1 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -81.5 | -38.8 | 177.9 | -60.7 | 179.8 | 0 | 0 | 0 | 112.3 | R172 L174 V309 L311 R327 L328 R329 V416 | R172-L331 HydrophobicContact CB-CB 4.37Å; R172-L331 HydrophobicContact CB-CD2 4.22Å; R172-L331 VanDerWaalsContact CD-O 3.26Å; R172-L331 WeakPolarHBondContact CD-O 3.25Å; R172-L331 PolarHBondContact NE-O 3.4Å; L174-L331 HydrophobicContact CB-CD1 3.78Å; V309-L331 HydrophobicContact CB-CD2 4.02Å; V309-L331 HydrophobicContact CG1-CD2 3.78Å; L311-L331 HydrophobicContact CD1-CD1 4.43Å; L311-L331 HydrophobicContact CD1-CD2 3.85Å; L311-L331 HydrophobicContact CD1-CG 3.92Å; L311-L331 HydrophobicContact CG-CD2 3.86Å; L311-L331 HydrophobicContact CG-CG 4.44Å; R327-L331 PolarHBondContact O-N 3.39Å; L328-L331 WeakPolarHBondContact O-CA 3.12Å; L328-L331 WeakPolarHBondContact O-CB 3.09Å; L328-L331 PolarHBondContact O-N 2.87Å; R329-L331 PolarHBondContact O-N 3.18Å; L331-V416 HydrophobicContact CB-CG1 4.12Å; L331-V416 HydrophobicContact CD1-CG1 3.4Å; L331-V416 VanDerWaalsContact CD1-CG1 3.4Å; L331-V416 HydrophobicContact CG-CG1 4.41Å |
| 332 | D | 88.7 | Confident | 86.4 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -149.8 | 94.9 | 175.3 | -171.5 | -19.7 | 0 | 0 | 0 | 111 | L328 R329 N334 R335 F336 | L328-D332 PolarHBondContact O-N 3.35Å; R329-D332 CarbonylContact O-C 3.19Å; R329-D332 PolarHBondContact O-N 2.99Å; D332-N334 VanDerWaalsContact C-N 3.27Å; D332-N334 PolarHBondContact O-N 2.81Å; D332-N334 WeakPolarHBondContact OD1-CB 3.43Å; D332-N334 PolarHBondContact OD1-N 2.76Å; D332-R335 HydrophobicContact CB-CB 3.98Å; D332-R335 PolarHBondContact O-N 2.87Å; D332-R335 PolarHBondContact OD1-N 2.91Å; D332-R335 WeakPolarHBondContact OD2-CB 3.27Å; D332-F336 HydrophobicContact CB-CD2 4.08Å; D332-F336 HydrophobicContact CB-CE2 4.28Å; D332-F336 WeakPolarHBondContact O-CD2 3.31Å; D332-F336 PolarHBondContact O-N 3.24Å | ||
| 333 | P | 86.3 | Confident | 86.5 | Confident | 58 Ų | 58 | 37.7 Ų | 37.7 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.5 | -178.4 | 27.3 | -34 | 0 | 0 | 0 | 112.9 | R329 | R329-P333 HydrophobicContact CG-CB 4.34Å; R329-P333 WeakPolarHBondContact O-CA 3.37Å; R329-P333 WeakPolarHBondContact O-CD 3.5Å; R329-P333 VanDerWaalsContact O-N 3.09Å |
| 334 | N | 83.9 | Confident | 86.5 | Confident | 139 Ų | 139 | 42 Ų | 42 | 74% | 0.743 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -40.1 | 178 | -67.6 | -40.3 | 0 | 0 | 0 | 110.6 | D332 H337 | D332-N334 VanDerWaalsContact C-N 3.27Å; D332-N334 PolarHBondContact O-N 2.81Å; D332-N334 WeakPolarHBondContact OD1-CB 3.43Å; D332-N334 PolarHBondContact OD1-N 2.76Å; N334-H337 PolarHBondContact O-ND1 2.66Å |
| 335 | R | 81.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 44 Ų | 44 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -48.4 | 176.6 | 176.7 | 57.9 | 176.2 | 127.6 | -0.7 | 112.5 | D332 H337 E345 P929 N930 | D332-R335 HydrophobicContact CB-CB 3.98Å; D332-R335 PolarHBondContact O-N 2.87Å; D332-R335 PolarHBondContact OD1-N 2.91Å; D332-R335 WeakPolarHBondContact OD2-CB 3.27Å; R335-H337 PolarHBondContact O-N 3.41Å; R335-H337 PolarHBondContact O-ND1 3.06Å; R335-E345 IonicContact CZ-OE1 3.47Å; R335-E345 IonicContact CZ-OE2 2.7Å; R335-E345 IonicContact NH1-OE1 3.88Å; R335-E345 PolarHBondContact NH1-OE1 2.91Å; R335-E345 IonicContact NH1-OE2 3.68Å; R335-E345 PolarHBondContact NH1-OE2 3.05Å; R335-E345 IonicContact NH2-OE1 2.93Å; R335-E345 PolarHBondContact NH2-OE1 3.45Å; R335-E345 IonicContact NH2-OE2 3.33Å; R335-E345 PolarHBondContact NH2-OE2 3.36Å; R335-P929 VanDerWaalsContact NE-CG 3.27Å; R335-N930 WeakPolarHBondContact CG-OD1 3.02Å; R335-N930 PolarHBondContact NE-OD1 3.13Å |
| 336 | F | 85.2 | Confident | 85.8 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -99 | 62.6 | -176 | -56.7 | -74.9 | 0 | 0 | 0 | 110.9 | F325 L328 R329 D332 F342 | F325-F336 HydrophobicContact CD2-CB 4.34Å; F325-F336 HydrophobicContact CE2-CB 3.84Å; F325-F336 HydrophobicContact CZ-CB 4.36Å; F325-F336 WeakPolarHBondContact CZ-O 3.33Å; L328-F336 HydrophobicContact CB-CB 4.46Å; L328-F336 HydrophobicContact CB-CD1 3.93Å; L328-F336 HydrophobicContact CB-CD2 3.71Å; L328-F336 HydrophobicContact CB-CE1 4.05Å; L328-F336 HydrophobicContact CB-CE2 3.83Å; L328-F336 HydrophobicContact CB-CG 3.76Å; L328-F336 HydrophobicContact CB-CZ 4Å; L328-F336 HydrophobicContact CD1-CD1 4.18Å; L328-F336 HydrophobicContact CD1-CE1 3.73Å; L328-F336 HydrophobicContact CD1-CZ 3.99Å; L328-F336 HydrophobicContact CD2-CZ 4.39Å; L328-F336 HydrophobicContact CG-CE1 4.45Å; L328-F336 HydrophobicContact CG-CZ 4.37Å; L328-F336 WeakPolarHBondContact O-CD2 3.42Å; R329-F336 HydrophobicContact CB-CB 4.1Å; R329-F336 WeakPolarHBondContact CG-O 3.43Å; D332-F336 HydrophobicContact CB-CD2 4.08Å; D332-F336 HydrophobicContact CB-CE2 4.28Å; D332-F336 WeakPolarHBondContact O-CD2 3.31Å; D332-F336 PolarHBondContact O-N 3.24Å; F336-F342 HydrophobicContact CD1-CD2 4.01Å; F336-F342 HydrophobicContact CD1-CE2 4.28Å; F336-F342 HydrophobicContact CE1-CD2 4.08Å; F336-F342 HydrophobicContact CE1-CE2 4.04Å |
| 337 | H | 83.9 | Confident | 85.2 | Confident | 116 Ų | 116 | 51.3 Ų | 51.3 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | trans | -96.2 | -26.6 | -178.9 | 59.1 | -86.2 | 0 | 0 | 0 | 113.5 | N334 R335 | N334-H337 PolarHBondContact O-ND1 2.66Å; R335-H337 PolarHBondContact O-N 3.41Å; R335-H337 PolarHBondContact O-ND1 3.06Å | ||
| 338 | D | 85.9 | Confident | 84.5 | Confident | 73 Ų | 73 | 56 Ų | 56 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | trans | -125.3 | 119.3 | -176.8 | -173.4 | -45 | 0 | 0 | 0 | 111.2 | A340 Q341 F342 | D338-A340 WeakPolarHBondContact OD1-CA 3.26Å; D338-A340 WeakPolarHBondContact OD1-CB 3.46Å; D338-A340 PolarHBondContact OD1-N 2.75Å; D338-Q341 HydrophobicContact CB-CB 4Å; D338-Q341 PolarHBondContact OD1-N 2.77Å; D338-F342 WeakPolarHBondContact O-CB 3.43Å; D338-F342 PolarHBondContact O-N 3.28Å; D338-F342 VanDerWaalsContact O-N 3.17Å | ||
| 339 | F | 86.4 | Confident | 83.7 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.1 | -37.8 | -179.8 | 177.2 | -116.4 | 0 | 0 | 0 | 113 | M321 E322 F325 F342 V343 | M321-F339 HydrophobicContact CB-CE2 3.85Å; M321-F339 HydrophobicContact CB-CZ 3.83Å; E322-F339 HydrophobicContact CB-CE2 4.44Å; E322-F339 HydrophobicContact CB-CZ 4.42Å; E322-F339 HydrophobicContact CG-CD1 4.22Å; E322-F339 HydrophobicContact CG-CD2 4.44Å; E322-F339 HydrophobicContact CG-CE1 3.66Å; E322-F339 HydrophobicContact CG-CE2 3.91Å; E322-F339 HydrophobicContact CG-CZ 3.48Å; E322-F339 VanDerWaalsContact CG-CZ 3.48Å; F325-F339 HydrophobicContact CB-CD2 3.74Å; F325-F339 HydrophobicContact CB-CE2 4.12Å; F325-F339 HydrophobicContact CD1-CB 4.17Å; F325-F339 HydrophobicContact CD1-CD2 4.05Å; F325-F339 HydrophobicContact CD2-CD2 4.18Å; F325-F339 HydrophobicContact CE1-CB 4.07Å; F325-F339 HydrophobicContact CG-CB 4.44Å; F325-F339 AromaticContact CG-CD2 3.73Å; F325-F339 HydrophobicContact CG-CD2 3.73Å; F325-F339 HydrophobicContact CZ-CB 4.25Å; F339-F342 HydrophobicContact CD2-CD1 4.38Å; F339-F342 HydrophobicContact CE2-CD1 4.47Å; F339-F342 WeakPolarHBondContact O-CB 3.33Å; F339-F342 PolarHBondContact O-N 3.21Å; F339-V343 HydrophobicContact CD1-CG2 4.41Å; F339-V343 HydrophobicContact CD2-CG2 4.23Å; F339-V343 HydrophobicContact CE1-CG2 3.96Å; F339-V343 HydrophobicContact CE2-CG2 3.75Å; F339-V343 HydrophobicContact CZ-CG2 3.6Å; F339-V343 VanDerWaalsContact O-CG2 3.32Å; F339-V343 WeakPolarHBondContact O-CG2 3.23Å; F339-V343 PolarHBondContact O-N 2.9Å |
| 340 | A | 86.2 | Confident | 82.9 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.1 | -40.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D338 F342 V343 E344 | D338-A340 WeakPolarHBondContact OD1-CA 3.26Å; D338-A340 WeakPolarHBondContact OD1-CB 3.46Å; D338-A340 PolarHBondContact OD1-N 2.75Å; A340-F342 VanDerWaalsContact C-N 3.34Å; A340-V343 PolarHBondContact O-N 2.97Å; A340-E344 PolarHBondContact O-N 3.14Å; A340-E344 VanDerWaalsContact O-N 3.13Å |
| 341 | Q | 84.4 | Confident | 82.1 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 171.9 | -177.8 | 179.6 | -13.7 | 0 | 0 | 110.9 | D338 V343 E344 E345 | D338-Q341 HydrophobicContact CB-CB 4Å; D338-Q341 PolarHBondContact OD1-N 2.77Å; Q341-V343 VanDerWaalsContact C-N 3.35Å; Q341-V343 PolarHBondContact O-N 3.23Å; Q341-E344 PolarHBondContact O-N 2.98Å; Q341-E345 HydrophobicContact CG-CG 4.48Å; Q341-E345 PolarHBondContact NE2-OE1 3.09Å; Q341-E345 WeakPolarHBondContact O-CG 3.37Å; Q341-E345 PolarHBondContact O-N 3.14Å |
| 342 | F | 83.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 177.7 | 174.6 | -102.6 | 0 | 0 | 0 | 112.7 | M321 H324 F325 L328 F336 D338 F339 A340 E344 E345 Q346 | M321-F342 HydrophobicContact CE-CE1 4.47Å; H324-F342 AromaticContact CD2-CZ 3.73Å; F325-F342 HydrophobicContact CB-CD1 4.18Å; F325-F342 HydrophobicContact CB-CE1 4.25Å; F325-F342 HydrophobicContact CD2-CB 3.8Å; F325-F342 AromaticContact CD2-CD1 3.9Å; F325-F342 HydrophobicContact CD2-CD1 3.9Å; F325-F342 HydrophobicContact CD2-CD2 4.31Å; F325-F342 AromaticContact CD2-CG 3.74Å; F325-F342 HydrophobicContact CD2-CG 3.74Å; F325-F342 HydrophobicContact CE2-CB 3.99Å; F325-F342 HydrophobicContact CE2-CG 4.38Å; F325-F342 HydrophobicContact CG-CD1 4.47Å; L328-F342 HydrophobicContact CD1-CE2 3.62Å; L328-F342 HydrophobicContact CD1-CZ 3.75Å; F336-F342 HydrophobicContact CD1-CD2 4.01Å; F336-F342 HydrophobicContact CD1-CE2 4.28Å; F336-F342 HydrophobicContact CE1-CD2 4.08Å; F336-F342 HydrophobicContact CE1-CE2 4.04Å; D338-F342 WeakPolarHBondContact O-CB 3.43Å; D338-F342 PolarHBondContact O-N 3.28Å; D338-F342 VanDerWaalsContact O-N 3.17Å; F339-F342 HydrophobicContact CD2-CD1 4.38Å; F339-F342 HydrophobicContact CE2-CD1 4.47Å; F339-F342 WeakPolarHBondContact O-CB 3.33Å; F339-F342 PolarHBondContact O-N 3.21Å; A340-F342 VanDerWaalsContact C-N 3.34Å; F342-E344 VanDerWaalsContact C-N 3.33Å; F342-E344 PolarHBondContact O-N 3.08Å; F342-E345 PolarHBondContact O-N 3.41Å; F342-Q346 HydrophobicContact CD1-CG 4.35Å; F342-Q346 HydrophobicContact CE1-CG 4Å; F342-Q346 HydrophobicContact CE2-CG 4.36Å; F342-Q346 HydrophobicContact CZ-CG 4.01Å; F342-Q346 VanDerWaalsContact O-CG 3.28Å; F342-Q346 WeakPolarHBondContact O-CG 3.35Å; F342-Q346 PolarHBondContact O-N 2.88Å |
| 343 | V | 82.6 | Confident | 80.8 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | M321 F339 A340 Q341 Q346 | M321-V343 HydrophobicContact CE-CB 4.46Å; M321-V343 HydrophobicContact CE-CG1 4.48Å; M321-V343 HydrophobicContact CE-CG2 3.88Å; M321-V343 HydrophobicContact SD-CG2 4.33Å; F339-V343 HydrophobicContact CD1-CG2 4.41Å; F339-V343 HydrophobicContact CD2-CG2 4.23Å; F339-V343 HydrophobicContact CE1-CG2 3.96Å; F339-V343 HydrophobicContact CE2-CG2 3.75Å; F339-V343 HydrophobicContact CZ-CG2 3.6Å; F339-V343 VanDerWaalsContact O-CG2 3.32Å; F339-V343 WeakPolarHBondContact O-CG2 3.23Å; F339-V343 PolarHBondContact O-N 2.9Å; A340-V343 PolarHBondContact O-N 2.97Å; Q341-V343 VanDerWaalsContact C-N 3.35Å; Q341-V343 PolarHBondContact O-N 3.23Å; V343-Q346 PolarHBondContact O-N 3.34Å |
| 344 | E | 82.1 | Confident | 80.5 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 177.5 | -167.7 | 60.6 | -158.3 | 0 | 0 | 111.8 | A340 Q341 F342 Q346 K347 | A340-E344 PolarHBondContact O-N 3.14Å; A340-E344 VanDerWaalsContact O-N 3.13Å; Q341-E344 PolarHBondContact O-N 2.98Å; F342-E344 VanDerWaalsContact C-N 3.33Å; F342-E344 PolarHBondContact O-N 3.08Å; E344-Q346 VanDerWaalsContact C-N 3.27Å; E344-Q346 PolarHBondContact O-N 2.85Å; E344-K347 PolarHBondContact O-N 3.38Å; E344-K347 IonicContact OE2-NZ 3.57Å; E344-K347 PolarHBondContact OE2-NZ 2.66Å |
| 345 | E | 79.2 | Confident | 80.4 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 174.4 | -71.3 | 178.2 | -171.6 | 0 | 0 | 111.8 | R335 Q341 F342 K347 N348 | R335-E345 IonicContact CZ-OE1 3.47Å; R335-E345 IonicContact CZ-OE2 2.7Å; R335-E345 IonicContact NH1-OE1 3.88Å; R335-E345 PolarHBondContact NH1-OE1 2.91Å; R335-E345 IonicContact NH1-OE2 3.68Å; R335-E345 PolarHBondContact NH1-OE2 3.05Å; R335-E345 IonicContact NH2-OE1 2.93Å; R335-E345 PolarHBondContact NH2-OE1 3.45Å; R335-E345 IonicContact NH2-OE2 3.33Å; R335-E345 PolarHBondContact NH2-OE2 3.36Å; Q341-E345 HydrophobicContact CG-CG 4.48Å; Q341-E345 PolarHBondContact NE2-OE1 3.09Å; Q341-E345 WeakPolarHBondContact O-CG 3.37Å; Q341-E345 PolarHBondContact O-N 3.14Å; F342-E345 PolarHBondContact O-N 3.41Å; E345-K347 VanDerWaalsContact C-N 3.27Å; E345-K347 PolarHBondContact O-N 3.19Å; E345-N348 WeakPolarHBondContact O-CB 3.25Å; E345-N348 PolarHBondContact O-N 3.01Å; E345-N348 VanDerWaalsContact O-N 3.13Å |
| 346 | Q | 76.1 | Confident | 80.4 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 15% | 0.15 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -33.2 | 179 | -73 | -133.3 | -25.7 | 0 | 0 | 114 | M321 F342 V343 E344 N348 Y349 R685 | M321-Q346 HydrophobicContact CE-CB 4.37Å; M321-Q346 HydrophobicContact CE-CG 4.08Å; F342-Q346 HydrophobicContact CD1-CG 4.35Å; F342-Q346 HydrophobicContact CE1-CG 4Å; F342-Q346 HydrophobicContact CE2-CG 4.36Å; F342-Q346 HydrophobicContact CZ-CG 4.01Å; F342-Q346 VanDerWaalsContact O-CG 3.28Å; F342-Q346 WeakPolarHBondContact O-CG 3.35Å; F342-Q346 PolarHBondContact O-N 2.88Å; V343-Q346 PolarHBondContact O-N 3.34Å; E344-Q346 VanDerWaalsContact C-N 3.27Å; E344-Q346 PolarHBondContact O-N 2.85Å; Q346-N348 PolarHBondContact O-N 3.19Å; Q346-Y349 HydrophobicContact CB-CD2 4.17Å; Q346-Y349 HydrophobicContact CB-CE2 4.25Å; Q346-Y349 HydrophobicContact CG-CD2 4.24Å; Q346-Y349 HydrophobicContact CG-CE2 3.92Å; Q346-Y349 WeakPolarHBondContact O-CB 3.3Å; Q346-Y349 PolarHBondContact O-N 3.14Å; Q346-Y349 VanDerWaalsContact O-N 3.1Å; Q346-R685 VanDerWaalsContact NE2-NH1 3.19Å |
| 347 | K | 76.6 | Confident | 80 | Confident | 125 Ų | 125 | 51.3 Ų | 51.3 | 54% | 0.543 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -26.5 | 179.3 | -66.1 | 173.6 | -172.3 | 163.8 | 0 | 112.2 | E344 E345 Y349 | E344-K347 PolarHBondContact O-N 3.38Å; E344-K347 IonicContact OE2-NZ 3.57Å; E344-K347 PolarHBondContact OE2-NZ 2.66Å; E345-K347 VanDerWaalsContact C-N 3.27Å; E345-K347 PolarHBondContact O-N 3.19Å; K347-Y349 VanDerWaalsContact C-N 3.34Å |
| 348 | N | 75 | Confident | 80 | Confident | 99 Ų | 99 | 47.8 Ų | 47.8 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.8 | 179.8 | -62.8 | -32.7 | 0 | 0 | 0 | 113.4 | E345 Q346 P351 V352 | E345-N348 WeakPolarHBondContact O-CB 3.25Å; E345-N348 PolarHBondContact O-N 3.01Å; E345-N348 VanDerWaalsContact O-N 3.13Å; Q346-N348 PolarHBondContact O-N 3.19Å; N348-P351 WeakPolarHBondContact O-CD 3.44Å; N348-V352 VanDerWaalsContact O-CG2 3.3Å; N348-V352 WeakPolarHBondContact O-CG2 3.49Å |
| 349 | Y | 73.5 | Confident | 79.9 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 5% | 0.051 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.3 | -27.4 | 178.9 | -65.4 | -40.5 | 0 | 0 | 0 | 113.6 | Q346 K347 V352 A353 H411 R685 | Q346-Y349 HydrophobicContact CB-CD2 4.17Å; Q346-Y349 HydrophobicContact CB-CE2 4.25Å; Q346-Y349 HydrophobicContact CG-CD2 4.24Å; Q346-Y349 HydrophobicContact CG-CE2 3.92Å; Q346-Y349 WeakPolarHBondContact O-CB 3.3Å; Q346-Y349 PolarHBondContact O-N 3.14Å; Q346-Y349 VanDerWaalsContact O-N 3.1Å; K347-Y349 VanDerWaalsContact C-N 3.34Å; Y349-V352 WeakPolarHBondContact O-CB 3.17Å; Y349-V352 PolarHBondContact O-N 3.32Å; Y349-A353 PolarHBondContact O-N 3.14Å; Y349-H411 HydrophobicContact CD1-CB 4.05Å; Y349-H411 AromaticContact CD1-ND1 3.88Å; Y349-H411 HydrophobicContact CE1-CB 3.99Å; Y349-R685 HydrophobicContact CD2-CG 4.44Å |
| 350 | R | 73.3 | Confident | 79.6 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.8 | -49.7 | -176.3 | 176.8 | 57.7 | -171.5 | -109.5 | 6 | 113.3 | V352 A353 D354 Q683 | R350-V352 PolarHBondContact O-N 3.34Å; R350-V352 VanDerWaalsContact O-N 3.14Å; R350-A353 WeakPolarHBondContact O-CB 3.42Å; R350-A353 PolarHBondContact O-N 3.36Å; R350-D354 IonicContact CZ-OD1 3Å; R350-D354 IonicContact CZ-OD2 3.39Å; R350-D354 IonicContact NE-OD1 2.73Å; R350-D354 PolarHBondContact NE-OD1 2.67Å; R350-D354 IonicContact NE-OD2 3.96Å; R350-D354 PolarHBondContact NE-OD2 2.99Å; R350-D354 IonicContact NH2-OD1 3.33Å; R350-D354 PolarHBondContact NH2-OD1 2.94Å; R350-D354 PolarHBondContact O-N 3.31Å; R350-Q683 WeakPolarHBondContact CD-O 3.32Å; R350-Q683 PolarHBondContact NE-O 3.1Å; R350-Q683 VanDerWaalsContact NE-O 3.12Å; R350-Q683 PolarHBondContact NH1-O 2.86Å; R350-Q683 PolarHBondContact NH2-O 3.49Å |
| 351 | P | 78 | Confident | 79.4 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.8 | -34.6 | 175.1 | -28.4 | 35.8 | 0 | 0 | 0 | 113.6 | N348 D354 A355 M376 | N348-P351 WeakPolarHBondContact O-CD 3.44Å; P351-D354 PolarHBondContact O-N 3.33Å; P351-A355 WeakPolarHBondContact O-CB 3.46Å; P351-A355 PolarHBondContact O-N 3.26Å; P351-M376 HydrophobicContact CB-CE 3.5Å; P351-M376 VanDerWaalsContact CB-CE 3.5Å |
| 352 | V | 77.6 | Confident | 79.1 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.8 | -42.6 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | N348 Y349 R350 D354 A355 V356 L407 H411 L688 | N348-V352 VanDerWaalsContact O-CG2 3.3Å; N348-V352 WeakPolarHBondContact O-CG2 3.49Å; Y349-V352 WeakPolarHBondContact O-CB 3.17Å; Y349-V352 PolarHBondContact O-N 3.32Å; R350-V352 PolarHBondContact O-N 3.34Å; R350-V352 VanDerWaalsContact O-N 3.14Å; V352-D354 VanDerWaalsContact C-N 3.26Å; V352-D354 PolarHBondContact O-N 3.43Å; V352-A355 WeakPolarHBondContact O-CB 3.25Å; V352-A355 PolarHBondContact O-N 3.23Å; V352-A355 VanDerWaalsContact O-N 3.16Å; V352-V356 HydrophobicContact CG1-CG2 4.39Å; V352-V356 WeakPolarHBondContact O-CG2 3.4Å; V352-V356 PolarHBondContact O-N 3.24Å; V352-L407 HydrophobicContact CG1-CB 4.31Å; V352-H411 WeakPolarHBondContact CG1-CD2 3.41Å; V352-H411 VanDerWaalsContact CG2-CD2 3.45Å; V352-H411 WeakPolarHBondContact CG2-CD2 3.24Å; V352-H411 WeakPolarHBondContact CG2-CE1 3.41Å; V352-H411 WeakPolarHBondContact CG2-NE2 3.4Å; V352-L688 HydrophobicContact CB-CD1 4.19Å; V352-L688 HydrophobicContact CG1-CD1 4.11Å; V352-L688 HydrophobicContact CG1-CD2 4.39Å |
| 353 | A | 75.4 | Confident | 79.1 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -44.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y349 R350 V356 A357 G684 L688 | Y349-A353 PolarHBondContact O-N 3.14Å; R350-A353 WeakPolarHBondContact O-CB 3.42Å; R350-A353 PolarHBondContact O-N 3.36Å; A353-V356 PolarHBondContact O-N 3Å; A353-A357 VanDerWaalsContact O-CB 3.25Å; A353-A357 WeakPolarHBondContact O-CB 3.3Å; A353-A357 PolarHBondContact O-N 3.02Å; A353-G684 WeakPolarHBondContact CB-O 3.32Å; A353-L688 VanDerWaalsContact CA-CG 3.46Å; A353-L688 HydrophobicContact CB-CD1 3.64Å; A353-L688 HydrophobicContact CB-CD2 4.19Å; A353-L688 HydrophobicContact CB-CG 3.52Å |
| 354 | D | 79.7 | Confident | 79.2 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 36% | 0.358 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.6 | -62.7 | -35.6 | 0 | 0 | 0 | 110.8 | R350 P351 V352 A357 M358 | R350-D354 IonicContact CZ-OD1 3Å; R350-D354 IonicContact CZ-OD2 3.39Å; R350-D354 IonicContact NE-OD1 2.73Å; R350-D354 PolarHBondContact NE-OD1 2.67Å; R350-D354 IonicContact NE-OD2 3.96Å; R350-D354 PolarHBondContact NE-OD2 2.99Å; R350-D354 IonicContact NH2-OD1 3.33Å; R350-D354 PolarHBondContact NH2-OD1 2.94Å; R350-D354 PolarHBondContact O-N 3.31Å; P351-D354 PolarHBondContact O-N 3.33Å; V352-D354 VanDerWaalsContact C-N 3.26Å; V352-D354 PolarHBondContact O-N 3.43Å; D354-A357 PolarHBondContact O-N 3.32Å; D354-M358 WeakPolarHBondContact O-CB 3.43Å; D354-M358 PolarHBondContact O-N 3.41Å |
| 355 | A | 82.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P351 V352 M358 L359 M372 L373 M376 L407 | P351-A355 WeakPolarHBondContact O-CB 3.46Å; P351-A355 PolarHBondContact O-N 3.26Å; V352-A355 WeakPolarHBondContact O-CB 3.25Å; V352-A355 PolarHBondContact O-N 3.23Å; V352-A355 VanDerWaalsContact O-N 3.16Å; A355-M358 WeakPolarHBondContact O-CB 3.34Å; A355-M358 PolarHBondContact O-N 3.19Å; A355-L359 WeakPolarHBondContact O-CG 3.06Å; A355-L359 PolarHBondContact O-N 3.41Å; A355-M372 HydrophobicContact CB-CE 3.73Å; A355-L373 HydrophobicContact CB-CD2 3.92Å; A355-M376 HydrophobicContact CB-SD 4Å; A355-L407 HydrophobicContact CB-CD1 4.1Å |
| 356 | V | 80.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | V352 A353 M358 L359 L360 V404 L407 L688 I691 | V352-V356 HydrophobicContact CG1-CG2 4.39Å; V352-V356 WeakPolarHBondContact O-CG2 3.4Å; V352-V356 PolarHBondContact O-N 3.24Å; A353-V356 PolarHBondContact O-N 3Å; V356-M358 VanDerWaalsContact C-N 3.25Å; V356-M358 PolarHBondContact O-N 3.33Å; V356-L359 PolarHBondContact O-N 2.85Å; V356-L360 HydrophobicContact CG1-CD1 3.94Å; V356-L360 HydrophobicContact CG1-CG 4.4Å; V356-L360 WeakPolarHBondContact O-CG 3.46Å; V356-L360 PolarHBondContact O-N 2.55Å; V356-V404 HydrophobicContact CG1-CG1 3.9Å; V356-V404 HydrophobicContact CG1-CG2 4.23Å; V356-L407 HydrophobicContact CG2-CB 3.92Å; V356-L407 HydrophobicContact CG2-CD1 3.73Å; V356-L407 HydrophobicContact CG2-CG 4.49Å; V356-L688 HydrophobicContact CB-CD2 3.72Å; V356-L688 HydrophobicContact CG1-CD2 4.07Å; V356-L688 HydrophobicContact CG2-CD2 3.64Å; V356-I691 HydrophobicContact CG1-CD1 3.96Å; V356-I691 HydrophobicContact CG1-CG2 4.22Å |
| 357 | A | 78.4 | Confident | 80 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A353 D354 L360 A361 | A353-A357 VanDerWaalsContact O-CB 3.25Å; A353-A357 WeakPolarHBondContact O-CB 3.3Å; A353-A357 PolarHBondContact O-N 3.02Å; D354-A357 PolarHBondContact O-N 3.32Å; A357-L360 PolarHBondContact O-N 2.86Å; A357-A361 VanDerWaalsContact O-CB 3.3Å; A357-A361 WeakPolarHBondContact O-CB 3.48Å; A357-A361 PolarHBondContact O-N 2.9Å |
| 358 | M | 82.7 | Confident | 80.4 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 21% | 0.212 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.4 | -178.2 | -162.4 | -58.3 | 0 | 0 | 112 | D354 A355 V356 A361 L365 E369 M372 | D354-M358 WeakPolarHBondContact O-CB 3.43Å; D354-M358 PolarHBondContact O-N 3.41Å; A355-M358 WeakPolarHBondContact O-CB 3.34Å; A355-M358 PolarHBondContact O-N 3.19Å; V356-M358 VanDerWaalsContact C-N 3.25Å; V356-M358 PolarHBondContact O-N 3.33Å; M358-A361 PolarHBondContact O-N 3.2Å; M358-L365 HydrophobicContact CG-CD2 3.48Å; M358-L365 VanDerWaalsContact CG-CD2 3.48Å; M358-L365 HydrophobicContact SD-CD2 3.39Å; M358-L365 WeakPolarHBondContact SD-CD2 3.35Å; M358-E369 HydrophobicContact CE-CB 4.26Å; M358-E369 HydrophobicContact CE-CG 3.62Å; M358-E369 WeakPolarHBondContact CE-OE1 3.38Å; M358-E369 HydrophobicContact SD-CB 3.61Å; M358-E369 HydrophobicContact SD-CG 3.5Å; M358-E369 WeakPolarHBondContact SD-CG 3.17Å; M358-M372 HydrophobicContact CE-CE 4.03Å |
| 359 | L | 84.2 | Confident | 80.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.8 | -73.7 | 167.8 | 0 | 0 | 0 | 112.1 | A355 V356 G362 L365 L373 R400 L403 V404 L407 | A355-L359 WeakPolarHBondContact O-CG 3.06Å; A355-L359 PolarHBondContact O-N 3.41Å; V356-L359 PolarHBondContact O-N 2.85Å; L359-G362 PolarHBondContact O-N 2.76Å; L359-L365 HydrophobicContact CD2-CD1 3.97Å; L359-L373 HydrophobicContact CD1-CD2 4.01Å; L359-L373 HydrophobicContact CD2-CD1 4Å; L359-L373 HydrophobicContact CG-CD1 4.39Å; L359-L373 HydrophobicContact CG-CD2 4.5Å; L359-R400 HydrophobicContact CD2-CG 4.29Å; L359-L403 HydrophobicContact CD1-CB 3.84Å; L359-L403 HydrophobicContact CD2-CB 4.38Å; L359-L403 HydrophobicContact CD2-CD1 4Å; L359-V404 HydrophobicContact CB-CG2 3.7Å; L359-V404 HydrophobicContact CD1-CG2 3.84Å; L359-V404 HydrophobicContact CG-CG2 4.42Å; L359-L407 HydrophobicContact CD1-CD1 3.68Å |
| 360 | L | 80.7 | Confident | 81.3 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.7 | -30.1 | 179.5 | -68.9 | 175.6 | 0 | 0 | 0 | 113.7 | V356 A357 G362 V404 I691 | V356-L360 HydrophobicContact CG1-CD1 3.94Å; V356-L360 HydrophobicContact CG1-CG 4.4Å; V356-L360 WeakPolarHBondContact O-CG 3.46Å; V356-L360 PolarHBondContact O-N 2.55Å; A357-L360 PolarHBondContact O-N 2.86Å; L360-G362 PolarHBondContact O-N 3.46Å; L360-V404 HydrophobicContact CD2-CG2 4.25Å; L360-V404 HydrophobicContact CG-CG2 4.26Å; L360-I691 HydrophobicContact CD1-CB 4.5Å; L360-I691 HydrophobicContact CD1-CD1 3.68Å; L360-I691 HydrophobicContact CD1-CG1 3.99Å; L360-I691 HydrophobicContact CD1-CG2 3.68Å |
| 361 | A | 81.3 | Confident | 81.8 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 51% | 0.512 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -21.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A357 M358 N363 | A357-A361 VanDerWaalsContact O-CB 3.3Å; A357-A361 WeakPolarHBondContact O-CB 3.48Å; A357-A361 PolarHBondContact O-N 2.9Å; M358-A361 PolarHBondContact O-N 3.2Å; A361-N363 VanDerWaalsContact C-N 3.27Å; A361-N363 PolarHBondContact O-N 2.79Å |
| 362 | G | 78.4 | Confident | 82.1 | Confident | 32 Ų | 32 | 54 Ų | 54 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L359 L360 R400 | L359-G362 PolarHBondContact O-N 2.76Å; L360-G362 PolarHBondContact O-N 3.46Å; G362-R400 VanDerWaalsContact C-NH1 3.27Å; G362-R400 VanDerWaalsContact O-CZ 3.3Å; G362-R400 PolarHBondContact O-NH1 3.19Å; G362-R400 PolarHBondContact O-NH2 3.41Å |
| 363 | N | 83.3 | Confident | 82.4 | Confident | 115 Ų | 115 | 53.8 Ų | 53.8 | 62% | 0.615 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 159.3 | 176.3 | -63.9 | -39.1 | 0 | 0 | 0 | 111.5 | A361 L365 R400 | A361-N363 VanDerWaalsContact C-N 3.27Å; A361-N363 PolarHBondContact O-N 2.79Å; N363-L365 PolarHBondContact O-N 3.46Å; N363-R400 PolarHBondContact O-NH2 2.9Å |
| 364 | K | 84.2 | Confident | 82.7 | Confident | 131 Ų | 131 | 54.9 Ų | 54.9 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 128.1 | 172 | -76.5 | -170.1 | 174.4 | 178.8 | 0 | 110 | N390 D392 | K364-N390 VanDerWaalsContact CA-OD1 3.26Å; K364-N390 WeakPolarHBondContact CA-OD1 3.27Å; K364-D392 WeakPolarHBondContact CE-OD1 3.39Å; K364-D392 IonicContact NZ-OD1 2.95Å; K364-D392 PolarHBondContact NZ-OD1 3.34Å; K364-D392 IonicContact NZ-OD2 3.73Å; K364-D392 PolarHBondContact NZ-OD2 3.38Å |
| 365 | L | 85.4 | Confident | 82.8 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 133.9 | 179.1 | -58.3 | 166.3 | 0 | 0 | 0 | 109.4 | M358 L359 N363 E369 L370 L373 N390 | M358-L365 HydrophobicContact CG-CD2 3.48Å; M358-L365 VanDerWaalsContact CG-CD2 3.48Å; M358-L365 HydrophobicContact SD-CD2 3.39Å; M358-L365 WeakPolarHBondContact SD-CD2 3.35Å; L359-L365 HydrophobicContact CD2-CD1 3.97Å; N363-L365 PolarHBondContact O-N 3.46Å; L365-E369 HydrophobicContact CB-CB 4.41Å; L365-E369 HydrophobicContact CD2-CB 4.45Å; L365-L370 HydrophobicContact CB-CD2 3.81Å; L365-L370 HydrophobicContact CB-CG 4.02Å; L365-L370 HydrophobicContact CD1-CD2 3.72Å; L365-L370 HydrophobicContact CG-CD2 4.42Å; L365-L373 HydrophobicContact CD1-CD1 3.9Å; L365-N390 PolarHBondContact N-OD1 2.76Å; L365-N390 PolarHBondContact O-ND2 2.97Å |
| 366 | S | 86.2 | Confident | 82.6 | Confident | 52 Ų | 52 | 62 Ų | 62 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 161.3 | 170 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | D368 E369 L370 | S366-D368 PolarHBondContact O-N 3.34Å; S366-E369 WeakPolarHBondContact CB-OE2 3.48Å; S366-E369 PolarHBondContact N-OE2 2.93Å; S366-E369 PolarHBondContact O-N 3.05Å; S366-E369 VanDerWaalsContact O-N 3.13Å; S366-E369 WeakPolarHBondContact OG-CG 3.44Å; S366-E369 PolarHBondContact OG-N 2.82Å; S366-E369 PolarHBondContact OG-OE2 3.32Å; S366-L370 WeakPolarHBondContact O-CG 3.34Å; S366-L370 PolarHBondContact O-N 3.14Å |
| 367 | N | 83.4 | Confident | 82.5 | Confident | 123 Ų | 123 | 62 Ų | 62 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.2 | -33.7 | 178.3 | -69.7 | -7.6 | 0 | 0 | 0 | 112.6 | L370 N371 | N367-L370 PolarHBondContact O-N 3.5Å; N367-N371 WeakPolarHBondContact O-CB 3.44Å; N367-N371 PolarHBondContact O-N 2.76Å; N367-N371 PolarHBondContact O-ND2 2.87Å |
| 368 | D | 84.2 | Confident | 82.1 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 70% | 0.695 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68 | -38.9 | 177.4 | -65.1 | -23.8 | 0 | 0 | 0 | 110.9 | S366 N371 M372 | S366-D368 PolarHBondContact O-N 3.34Å; D368-N371 PolarHBondContact O-N 2.64Å; D368-M372 WeakPolarHBondContact O-CB 2.93Å; D368-M372 PolarHBondContact O-N 2.9Å |
| 369 | E | 84 | Confident | 81.4 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 175.7 | -69.4 | 164.9 | 148.7 | 0 | 0 | 112.1 | M358 L365 S366 M372 L373 | M358-E369 HydrophobicContact CE-CB 4.26Å; M358-E369 HydrophobicContact CE-CG 3.62Å; M358-E369 WeakPolarHBondContact CE-OE1 3.38Å; M358-E369 HydrophobicContact SD-CB 3.61Å; M358-E369 HydrophobicContact SD-CG 3.5Å; M358-E369 WeakPolarHBondContact SD-CG 3.17Å; L365-E369 HydrophobicContact CB-CB 4.41Å; L365-E369 HydrophobicContact CD2-CB 4.45Å; S366-E369 WeakPolarHBondContact CB-OE2 3.48Å; S366-E369 PolarHBondContact N-OE2 2.93Å; S366-E369 PolarHBondContact O-N 3.05Å; S366-E369 VanDerWaalsContact O-N 3.13Å; S366-E369 WeakPolarHBondContact OG-CG 3.44Å; S366-E369 PolarHBondContact OG-N 2.82Å; S366-E369 PolarHBondContact OG-OE2 3.32Å; E369-M372 PolarHBondContact O-N 2.9Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 2.99Å |
| 370 | L | 84.6 | Confident | 80.7 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 173.5 | -67.6 | 174.7 | 0 | 0 | 0 | 111.7 | L365 S366 N367 M372 L373 G374 L386 | L365-L370 HydrophobicContact CB-CD2 3.81Å; L365-L370 HydrophobicContact CB-CG 4.02Å; L365-L370 HydrophobicContact CD1-CD2 3.72Å; L365-L370 HydrophobicContact CG-CD2 4.42Å; S366-L370 WeakPolarHBondContact O-CG 3.34Å; S366-L370 PolarHBondContact O-N 3.14Å; N367-L370 PolarHBondContact O-N 3.5Å; L370-M372 VanDerWaalsContact C-N 3.34Å; L370-L373 PolarHBondContact O-N 3.18Å; L370-G374 PolarHBondContact O-N 3.1Å; L370-L386 HydrophobicContact CD2-CB 4.17Å; L370-L386 HydrophobicContact CD2-CD2 3.96Å |
| 371 | N | 84.2 | Confident | 80.6 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 175.5 | -72.2 | -26.5 | 0 | 0 | 0 | 111.3 | N367 D368 L373 G374 E375 | N367-N371 WeakPolarHBondContact O-CB 3.44Å; N367-N371 PolarHBondContact O-N 2.76Å; N367-N371 PolarHBondContact O-ND2 2.87Å; D368-N371 PolarHBondContact O-N 2.64Å; N371-L373 PolarHBondContact O-N 3.06Å; N371-G374 PolarHBondContact O-N 2.81Å; N371-E375 WeakPolarHBondContact O-CG 3.43Å; N371-E375 PolarHBondContact O-N 3.33Å |
| 372 | M | 84 | Confident | 80.6 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 27% | 0.271 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.9 | -176 | -168.4 | 72.8 | 0 | 0 | 111.7 | A355 M358 D368 E369 L370 G374 E375 M376 | A355-M372 HydrophobicContact CB-CE 3.73Å; M358-M372 HydrophobicContact CE-CE 4.03Å; D368-M372 WeakPolarHBondContact O-CB 2.93Å; D368-M372 PolarHBondContact O-N 2.9Å; E369-M372 PolarHBondContact O-N 2.9Å; L370-M372 VanDerWaalsContact C-N 3.34Å; M372-G374 VanDerWaalsContact C-N 3.35Å; M372-E375 PolarHBondContact O-N 2.72Å; M372-M376 HydrophobicContact CE-CE 4.17Å; M372-M376 HydrophobicContact CE-SD 4.48Å; M372-M376 HydrophobicContact CG-CE 3.64Å; M372-M376 HydrophobicContact CG-SD 4.29Å; M372-M376 VanDerWaalsContact O-CG 3.29Å; M372-M376 WeakPolarHBondContact O-CG 3.34Å; M372-M376 PolarHBondContact O-N 2.8Å; M372-M376 HydrophobicContact SD-CE 3.8Å |
| 373 | L | 83.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 174.8 | -72.5 | 169.7 | 0 | 0 | 0 | 111.9 | A355 L359 L365 E369 L370 N371 M376 I377 L386 L407 | A355-L373 HydrophobicContact CB-CD2 3.92Å; L359-L373 HydrophobicContact CD1-CD2 4.01Å; L359-L373 HydrophobicContact CD2-CD1 4Å; L359-L373 HydrophobicContact CG-CD1 4.39Å; L359-L373 HydrophobicContact CG-CD2 4.5Å; L365-L373 HydrophobicContact CD1-CD1 3.9Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 2.99Å; L370-L373 PolarHBondContact O-N 3.18Å; N371-L373 PolarHBondContact O-N 3.06Å; L373-M376 PolarHBondContact O-N 3.32Å; L373-I377 PolarHBondContact O-N 2.87Å; L373-L386 HydrophobicContact CB-CD2 3.87Å; L373-L386 HydrophobicContact CD1-CD2 3.88Å; L373-L407 HydrophobicContact CD2-CD1 3.84Å |
| 374 | G | 82.3 | Confident | 81 | Confident | 25 Ų | 25 | 74.3 Ų | 74.3 | 26% | 0.258 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L370 N371 M372 I377 G378 | L370-G374 PolarHBondContact O-N 3.1Å; N371-G374 PolarHBondContact O-N 2.81Å; M372-G374 VanDerWaalsContact C-N 3.35Å; G374-I377 CarbonylContact O-C 3.28Å; G374-I377 VanDerWaalsContact O-C 3.28Å; G374-I377 PolarHBondContact O-N 2.76Å; G374-G378 WeakPolarHBondContact O-CA 3.31Å; G374-G378 PolarHBondContact O-N 2.89Å |
| 375 | E | 81.4 | Confident | 81 | Confident | 167 Ų | 167 | 69.5 Ų | 69.5 | 78% | 0.78 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 176.1 | -74.8 | -177 | 179.3 | 0 | 0 | 112.2 | N371 M372 I377 | N371-E375 WeakPolarHBondContact O-CG 3.43Å; N371-E375 PolarHBondContact O-N 3.33Å; M372-E375 PolarHBondContact O-N 2.72Å; E375-I377 VanDerWaalsContact C-N 3.26Å; E375-I377 PolarHBondContact O-N 2.92Å |
| 376 | M | 78.1 | Confident | 81 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.1 | -25.4 | 176.8 | -71.4 | 178.1 | -178.8 | 0 | 0 | 112.9 | P351 A355 M372 L373 L407 | P351-M376 HydrophobicContact CB-CE 3.5Å; P351-M376 VanDerWaalsContact CB-CE 3.5Å; A355-M376 HydrophobicContact CB-SD 4Å; M372-M376 HydrophobicContact CE-CE 4.17Å; M372-M376 HydrophobicContact CE-SD 4.48Å; M372-M376 HydrophobicContact CG-CE 3.64Å; M372-M376 HydrophobicContact CG-SD 4.29Å; M372-M376 VanDerWaalsContact O-CG 3.29Å; M372-M376 WeakPolarHBondContact O-CG 3.34Å; M372-M376 PolarHBondContact O-N 2.8Å; M372-M376 HydrophobicContact SD-CE 3.8Å; L373-M376 PolarHBondContact O-N 3.32Å; M376-L407 HydrophobicContact CB-CD2 4.03Å; M376-L407 HydrophobicContact SD-CD2 4.4Å |
| 377 | I | 77.9 | Confident | 81 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 47.6 | -178.4 | -54.4 | 164.9 | 0 | 0 | 0 | 110.3 | L373 G374 E375 E379 I382 L403 M406 L407 R410 | L373-I377 PolarHBondContact O-N 2.87Å; G374-I377 CarbonylContact O-C 3.28Å; G374-I377 VanDerWaalsContact O-C 3.28Å; G374-I377 PolarHBondContact O-N 2.76Å; E375-I377 VanDerWaalsContact C-N 3.26Å; E375-I377 PolarHBondContact O-N 2.92Å; I377-E379 VanDerWaalsContact C-N 3.3Å; I377-E379 PolarHBondContact O-N 3.46Å; I377-E379 VanDerWaalsContact O-N 3.17Å; I377-I382 HydrophobicContact CB-CD1 3.67Å; I377-I382 HydrophobicContact CB-CG1 4.41Å; I377-I382 HydrophobicContact CB-CG2 4.5Å; I377-I382 HydrophobicContact CD1-CD1 3.73Å; I377-I382 HydrophobicContact CG1-CD1 4.26Å; I377-I382 HydrophobicContact CG2-CD1 3.96Å; I377-I382 HydrophobicContact CG2-CG1 4.3Å; I377-I382 HydrophobicContact CG2-CG2 3.56Å; I377-L403 HydrophobicContact CD1-CD2 4.08Å; I377-M406 HydrophobicContact CD1-CB 4.31Å; I377-M406 HydrophobicContact CG2-CE 4.01Å; I377-L407 HydrophobicContact CD1-CD2 3.88Å; I377-L407 HydrophobicContact CD1-CG 4.06Å; I377-L407 HydrophobicContact CG1-CD2 3.85Å; I377-L407 HydrophobicContact CG1-CG 4.49Å; I377-R410 VanDerWaalsContact CG2-CZ 3.44Å |
| 378 | G | 69.1 | Low | 81.2 | Confident | 65 Ų | 65 | 68 Ų | 68 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -8.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | G374 | G374-G378 WeakPolarHBondContact O-CA 3.31Å; G374-G378 PolarHBondContact O-N 2.89Å |
| 379 | E | 68.4 | Low | 81.2 | Confident | 136 Ų | 136 | 61.8 Ų | 61.8 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -15.5 | -173.1 | -64.1 | -178 | -178.9 | 0 | 0 | 114.5 | I377 V927 | I377-E379 VanDerWaalsContact C-N 3.3Å; I377-E379 PolarHBondContact O-N 3.46Å; I377-E379 VanDerWaalsContact O-N 3.17Å; E379-V927 WeakPolarHBondContact OE2-CG1 3.45Å |
| 380 | Q | 70.1 | Confident | 81.5 | Confident | 100 Ų | 100 | 60.7 Ų | 60.7 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -127.3 | 145.9 | -176.9 | -74.3 | 171.6 | -26 | 0 | 0 | 109.9 | I382 M406 | Q380-I382 HydrophobicContact CB-CG2 4.38Å; Q380-I382 PolarHBondContact O-N 3.01Å; Q380-M406 HydrophobicContact CB-CE 4.38Å |
| 381 | D | 77.5 | Confident | 81.5 | Confident | 135 Ų | 135 | 61.1 Ų | 61.1 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | trans | -73.2 | 93 | 172.8 | -174.9 | 9.5 | 0 | 0 | 0 | 109.8 | E383 | D381-E383 VanDerWaalsContact OD1-CB 3.29Å; D381-E383 WeakPolarHBondContact OD1-CB 3.43Å; D381-E383 PolarHBondContact OD1-N 3.34Å | ||
| 382 | I | 82.2 | Confident | 81.3 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | trans | -94.2 | 5.1 | 177.4 | 59.6 | 158 | 0 | 0 | 0 | 113.4 | I377 Q380 P384 L385 L386 L403 M406 | I377-I382 HydrophobicContact CB-CD1 3.67Å; I377-I382 HydrophobicContact CB-CG1 4.41Å; I377-I382 HydrophobicContact CB-CG2 4.5Å; I377-I382 HydrophobicContact CD1-CD1 3.73Å; I377-I382 HydrophobicContact CG1-CD1 4.26Å; I377-I382 HydrophobicContact CG2-CD1 3.96Å; I377-I382 HydrophobicContact CG2-CG1 4.3Å; I377-I382 HydrophobicContact CG2-CG2 3.56Å; Q380-I382 HydrophobicContact CB-CG2 4.38Å; Q380-I382 PolarHBondContact O-N 3.01Å; I382-P384 VanDerWaalsContact C-N 3.31Å; I382-L385 HydrophobicContact CG2-CD1 4.42Å; I382-L385 WeakPolarHBondContact O-CB 3.35Å; I382-L385 PolarHBondContact O-N 3.24Å; I382-L386 HydrophobicContact CD1-CD1 3.81Å; I382-L386 HydrophobicContact CD1-CD2 4.13Å; I382-L386 HydrophobicContact CD1-CG 3.9Å; I382-L386 HydrophobicContact CG1-CD1 3.96Å; I382-L386 HydrophobicContact CG1-CG 4.19Å; I382-L386 WeakPolarHBondContact O-CG 3.49Å; I382-L386 PolarHBondContact O-N 2.92Å; I382-L403 HydrophobicContact CB-CD2 4.34Å; I382-L403 HydrophobicContact CD1-CD2 4.04Å; I382-M406 HydrophobicContact CG2-CE 3.5Å; I382-M406 HydrophobicContact CG2-SD 4.01Å | ||
| 383 | E | 83.7 | Confident | 81.2 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.2 | -40.8 | 179.1 | -172.8 | 61.9 | -155.8 | 0 | 0 | 112.7 | D381 L385 L386 Q387 | D381-E383 VanDerWaalsContact OD1-CB 3.29Å; D381-E383 WeakPolarHBondContact OD1-CB 3.43Å; D381-E383 PolarHBondContact OD1-N 3.34Å; E383-L385 VanDerWaalsContact C-N 3.35Å; E383-L385 PolarHBondContact O-N 3.02Å; E383-L386 PolarHBondContact O-N 3.2Å; E383-Q387 WeakPolarHBondContact O-CB 3.42Å; E383-Q387 VanDerWaalsContact O-CG 3.32Å; E383-Q387 WeakPolarHBondContact O-CG 3.43Å; E383-Q387 PolarHBondContact O-N 3.28Å; E383-Q387 PolarHBondContact OE1-NE2 3.34Å |
| 384 | P | 86 | Confident | 81.1 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.7 | -21.6 | 34 | 0 | 0 | 0 | 113.1 | I382 A388 | I382-P384 VanDerWaalsContact C-N 3.31Å; P384-A388 WeakPolarHBondContact O-CB 3.42Å; P384-A388 PolarHBondContact O-N 3.43Å |
| 385 | L | 84.7 | Confident | 81.1 | Confident | 31 Ų | 31 | 76 Ų | 76 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 179.2 | -70.8 | 173.9 | 0 | 0 | 0 | 111.4 | I382 E383 Q387 A388 A389 A399 E402 L403 M406 | I382-L385 HydrophobicContact CG2-CD1 4.42Å; I382-L385 WeakPolarHBondContact O-CB 3.35Å; I382-L385 PolarHBondContact O-N 3.24Å; E383-L385 VanDerWaalsContact C-N 3.35Å; E383-L385 PolarHBondContact O-N 3.02Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.28Å; L385-A388 PolarHBondContact O-N 3.38Å; L385-A389 WeakPolarHBondContact O-CB 3.35Å; L385-A389 PolarHBondContact O-N 3.03Å; L385-A399 HydrophobicContact CD2-CB 4.18Å; L385-E402 HydrophobicContact CD1-CG 4.11Å; L385-E402 HydrophobicContact CD2-CG 4.44Å; L385-E402 VanDerWaalsContact CD2-OE2 3.26Å; L385-E402 WeakPolarHBondContact CD2-OE2 3.4Å; L385-L403 HydrophobicContact CB-CD1 4.5Å; L385-L403 HydrophobicContact CB-CD2 4.02Å; L385-L403 HydrophobicContact CB-CG 4.17Å; L385-L403 HydrophobicContact CD1-CD2 4.42Å; L385-M406 HydrophobicContact CD1-SD 3.76Å |
| 386 | L | 86.3 | Confident | 81.3 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.7 | -72.2 | 176.8 | 0 | 0 | 0 | 111.4 | L370 L373 I382 E383 N390 L403 | L370-L386 HydrophobicContact CD2-CB 4.17Å; L370-L386 HydrophobicContact CD2-CD2 3.96Å; L373-L386 HydrophobicContact CB-CD2 3.87Å; L373-L386 HydrophobicContact CD1-CD2 3.88Å; I382-L386 HydrophobicContact CD1-CD1 3.81Å; I382-L386 HydrophobicContact CD1-CD2 4.13Å; I382-L386 HydrophobicContact CD1-CG 3.9Å; I382-L386 HydrophobicContact CG1-CD1 3.96Å; I382-L386 HydrophobicContact CG1-CG 4.19Å; I382-L386 WeakPolarHBondContact O-CG 3.49Å; I382-L386 PolarHBondContact O-N 2.92Å; E383-L386 PolarHBondContact O-N 3.2Å; L386-N390 WeakPolarHBondContact O-CB 3.19Å; L386-N390 PolarHBondContact O-N 3.5Å; L386-N390 VanDerWaalsContact O-N 3.09Å; L386-L403 HydrophobicContact CD2-CD1 4.01Å; L386-L403 HydrophobicContact CD2-CD2 4.32Å |
| 387 | Q | 85.9 | Confident | 81.5 | Confident | 120 Ų | 120 | 72 Ų | 72 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66 | -45.8 | 176.3 | -72.1 | 179.2 | 14 | 0 | 0 | 111.9 | E383 L385 N390 S391 | E383-Q387 WeakPolarHBondContact O-CB 3.42Å; E383-Q387 VanDerWaalsContact O-CG 3.32Å; E383-Q387 WeakPolarHBondContact O-CG 3.43Å; E383-Q387 PolarHBondContact O-N 3.28Å; E383-Q387 PolarHBondContact OE1-NE2 3.34Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.28Å; Q387-N390 PolarHBondContact O-N 2.98Å; Q387-S391 WeakPolarHBondContact O-CB 3.43Å; Q387-S391 PolarHBondContact O-N 2.95Å; Q387-S391 VanDerWaalsContact O-N 3.11Å |
| 388 | A | 86.9 | Confident | 81.8 | Confident | 26 Ų | 26 | 75.4 Ų | 75.4 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P384 L385 N390 S391 A396 A399 | P384-A388 WeakPolarHBondContact O-CB 3.42Å; P384-A388 PolarHBondContact O-N 3.43Å; L385-A388 PolarHBondContact O-N 3.38Å; A388-N390 PolarHBondContact O-N 3.4Å; A388-S391 WeakPolarHBondContact O-CB 3.36Å; A388-S391 PolarHBondContact O-N 3.39Å; A388-S391 VanDerWaalsContact O-N 3.08Å; A388-S391 PolarHBondContact O-OG 3.39Å; A388-A396 WeakPolarHBondContact O-CA 3.22Å; A388-A396 WeakPolarHBondContact O-CB 3.42Å; A388-A399 HydrophobicContact CB-CB 3.7Å |
| 389 | A | 85 | Confident | 82.6 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -27.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L385 A399 R400 L403 | L385-A389 WeakPolarHBondContact O-CB 3.35Å; L385-A389 PolarHBondContact O-N 3.03Å; A389-A399 HydrophobicContact CB-CB 4.05Å; A389-R400 HydrophobicContact CB-CG 3.67Å; A389-R400 VanDerWaalsContact O-CZ 3.27Å; A389-R400 PolarHBondContact O-NE 3.25Å; A389-R400 PolarHBondContact O-NH2 3.3Å; A389-R400 VanDerWaalsContact O-NH2 3.16Å; A389-L403 HydrophobicContact CB-CD1 3.64Å |
| 390 | N | 88.5 | Confident | 83.4 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -0.3 | 177.5 | -153.9 | 22.1 | 0 | 0 | 0 | 113.7 | K364 L365 L386 Q387 A388 | K364-N390 VanDerWaalsContact CA-OD1 3.26Å; K364-N390 WeakPolarHBondContact CA-OD1 3.27Å; L365-N390 PolarHBondContact N-OD1 2.76Å; L365-N390 PolarHBondContact O-ND2 2.97Å; L386-N390 WeakPolarHBondContact O-CB 3.19Å; L386-N390 PolarHBondContact O-N 3.5Å; L386-N390 VanDerWaalsContact O-N 3.09Å; Q387-N390 PolarHBondContact O-N 2.98Å; A388-N390 PolarHBondContact O-N 3.4Å |
| 391 | S | 85.4 | Confident | 84 | Confident | 41 Ų | 41 | 68 Ų | 68 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -86.8 | 168 | 176.9 | 78.2 | 0 | 0 | 0 | 0 | 112.1 | Q387 A388 S393 A396 | Q387-S391 WeakPolarHBondContact O-CB 3.43Å; Q387-S391 PolarHBondContact O-N 2.95Å; Q387-S391 VanDerWaalsContact O-N 3.11Å; A388-S391 WeakPolarHBondContact O-CB 3.36Å; A388-S391 PolarHBondContact O-N 3.39Å; A388-S391 VanDerWaalsContact O-N 3.08Å; A388-S391 PolarHBondContact O-OG 3.39Å; S391-S393 VanDerWaalsContact C-N 3.25Å; S391-S393 PolarHBondContact O-N 2.96Å; S391-S393 WeakPolarHBondContact OG-CB 3.48Å; S391-S393 PolarHBondContact OG-N 3.04Å; S391-S393 PolarHBondContact OG-OG 2.97Å; S391-A396 WeakPolarHBondContact O-CB 3.44Å |
| 392 | D | 80.7 | Confident | 84.3 | Confident | 140 Ų | 140 | 66.2 Ų | 66.2 | 75% | 0.749 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -92.1 | 24.9 | 173.1 | -57.1 | -49.3 | 0 | 0 | 0 | 111.3 | K364 | K364-D392 WeakPolarHBondContact CE-OD1 3.39Å; K364-D392 IonicContact NZ-OD1 2.95Å; K364-D392 PolarHBondContact NZ-OD1 3.34Å; K364-D392 IonicContact NZ-OD2 3.73Å; K364-D392 PolarHBondContact NZ-OD2 3.38Å |
| 393 | S | 81.6 | Confident | 84.5 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -78.9 | 162 | -179.6 | 74 | 0 | 0 | 0 | 0 | 112.6 | S391 D395 A396 | S391-S393 VanDerWaalsContact C-N 3.25Å; S391-S393 PolarHBondContact O-N 2.96Å; S391-S393 WeakPolarHBondContact OG-CB 3.48Å; S391-S393 PolarHBondContact OG-N 3.04Å; S391-S393 PolarHBondContact OG-OG 2.97Å; S393-D395 PolarHBondContact O-N 3.26Å; S393-D395 PolarHBondContact OG-N 3.43Å; S393-A396 WeakPolarHBondContact O-CB 3.15Å; S393-A396 PolarHBondContact O-N 2.86Å; S393-A396 PolarHBondContact OG-N 3.13Å |
| 394 | E | 81.3 | Confident | 84.5 | Confident | 194 Ų | 194 | 61.6 Ų | 61.6 | 91% | 0.907 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.5 | 170.7 | -68.6 | -179.1 | 172.1 | 0 | 0 | 111.7 | A396 | E394-A396 VanDerWaalsContact C-N 3.31Å; E394-A396 PolarHBondContact O-N 3.2Å |
| 395 | D | 83 | Confident | 84.1 | Confident | 113 Ų | 113 | 59.8 Ų | 59.8 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -10.5 | -179.9 | -56.4 | -40.6 | 0 | 0 | 0 | 113.7 | S393 Q397 S398 A399 | S393-D395 PolarHBondContact O-N 3.26Å; S393-D395 PolarHBondContact OG-N 3.43Å; D395-Q397 VanDerWaalsContact C-N 3.29Å; D395-Q397 PolarHBondContact O-N 3.44Å; D395-S398 PolarHBondContact O-N 3.18Å; D395-S398 VanDerWaalsContact O-N 3.13Å; D395-A399 PolarHBondContact O-N 3.4Å |
| 396 | A | 84.5 | Confident | 83.8 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -38.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A388 S391 S393 E394 R400 | A388-A396 WeakPolarHBondContact O-CA 3.22Å; A388-A396 WeakPolarHBondContact O-CB 3.42Å; S391-A396 WeakPolarHBondContact O-CB 3.44Å; S393-A396 WeakPolarHBondContact O-CB 3.15Å; S393-A396 PolarHBondContact O-N 2.86Å; S393-A396 PolarHBondContact OG-N 3.13Å; E394-A396 VanDerWaalsContact C-N 3.31Å; E394-A396 PolarHBondContact O-N 3.2Å; A396-R400 WeakPolarHBondContact O-CB 3.24Å; A396-R400 VanDerWaalsContact O-CG 3.24Å; A396-R400 WeakPolarHBondContact O-CG 3.3Å; A396-R400 PolarHBondContact O-N 2.93Å |
| 397 | Q | 82.6 | Confident | 83.5 | Confident | 125 Ų | 125 | 59 Ų | 59 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -69.7 | -41.1 | 177.5 | -176.8 | 173.8 | -13.4 | 0 | 0 | 112 | D395 R400 Q401 | D395-Q397 VanDerWaalsContact C-N 3.29Å; D395-Q397 PolarHBondContact O-N 3.44Å; Q397-R400 PolarHBondContact O-N 3.04Å; Q397-Q401 WeakPolarHBondContact O-CG 3.28Å; Q397-Q401 PolarHBondContact O-N 2.71Å |
| 398 | S | 83.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | D395 R400 Q401 E402 | D395-S398 PolarHBondContact O-N 3.18Å; D395-S398 VanDerWaalsContact O-N 3.13Å; S398-R400 VanDerWaalsContact C-N 3.33Å; S398-R400 PolarHBondContact O-N 3.03Å; S398-Q401 PolarHBondContact O-N 3.01Å; S398-E402 PolarHBondContact O-N 3.29Å |
| 399 | A | 85.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L385 A388 A389 D395 E402 L403 | L385-A399 HydrophobicContact CD2-CB 4.18Å; A388-A399 HydrophobicContact CB-CB 3.7Å; A389-A399 HydrophobicContact CB-CB 4.05Å; D395-A399 PolarHBondContact O-N 3.4Å; A399-E402 PolarHBondContact O-N 3.44Å; A399-L403 WeakPolarHBondContact O-CG 3.33Å; A399-L403 PolarHBondContact O-N 2.92Å |
| 400 | R | 86.6 | Confident | 81.8 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 173.8 | -75.1 | 169.8 | -179.6 | 175.8 | -9.2 | 112.3 | L359 G362 N363 A389 A396 Q397 S398 E402 L403 V404 | L359-R400 HydrophobicContact CD2-CG 4.29Å; G362-R400 VanDerWaalsContact C-NH1 3.27Å; G362-R400 VanDerWaalsContact O-CZ 3.3Å; G362-R400 PolarHBondContact O-NH1 3.19Å; G362-R400 PolarHBondContact O-NH2 3.41Å; N363-R400 PolarHBondContact O-NH2 2.9Å; A389-R400 HydrophobicContact CB-CG 3.67Å; A389-R400 VanDerWaalsContact O-CZ 3.27Å; A389-R400 PolarHBondContact O-NE 3.25Å; A389-R400 PolarHBondContact O-NH2 3.3Å; A389-R400 VanDerWaalsContact O-NH2 3.16Å; A396-R400 WeakPolarHBondContact O-CB 3.24Å; A396-R400 VanDerWaalsContact O-CG 3.24Å; A396-R400 WeakPolarHBondContact O-CG 3.3Å; A396-R400 PolarHBondContact O-N 2.93Å; Q397-R400 PolarHBondContact O-N 3.04Å; S398-R400 VanDerWaalsContact C-N 3.33Å; S398-R400 PolarHBondContact O-N 3.03Å; R400-E402 VanDerWaalsContact C-N 3.3Å; R400-E402 PolarHBondContact O-N 3.4Å; R400-L403 PolarHBondContact O-N 3.07Å; R400-V404 WeakPolarHBondContact O-CB 3.21Å; R400-V404 VanDerWaalsContact O-CG2 3.28Å; R400-V404 WeakPolarHBondContact O-CG2 3.2Å; R400-V404 PolarHBondContact O-N 3.21Å |
| 401 | Q | 83 | Confident | 80.8 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.5 | -74.7 | 175.4 | -14.3 | 0 | 0 | 111.4 | Q397 S398 V404 S405 | Q397-Q401 WeakPolarHBondContact O-CG 3.28Å; Q397-Q401 PolarHBondContact O-N 2.71Å; S398-Q401 PolarHBondContact O-N 3.01Å; Q401-V404 PolarHBondContact O-N 2.77Å; Q401-S405 PolarHBondContact O-N 2.84Å |
| 402 | E | 83.4 | Confident | 79.8 | Confident | 98 Ų | 98 | 55 Ų | 55 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 174.9 | -169.5 | 172.6 | 175.4 | 0 | 0 | 111.6 | L385 S398 A399 R400 V404 S405 M406 | L385-E402 HydrophobicContact CD1-CG 4.11Å; L385-E402 HydrophobicContact CD2-CG 4.44Å; L385-E402 VanDerWaalsContact CD2-OE2 3.26Å; L385-E402 WeakPolarHBondContact CD2-OE2 3.4Å; S398-E402 PolarHBondContact O-N 3.29Å; A399-E402 PolarHBondContact O-N 3.44Å; R400-E402 VanDerWaalsContact C-N 3.3Å; R400-E402 PolarHBondContact O-N 3.4Å; E402-V404 VanDerWaalsContact C-N 3.3Å; E402-V404 PolarHBondContact O-N 2.87Å; E402-S405 WeakPolarHBondContact O-CB 3.33Å; E402-S405 PolarHBondContact O-N 3.26Å; E402-M406 HydrophobicContact CG-SD 4.43Å; E402-M406 WeakPolarHBondContact O-CB 3.46Å; E402-M406 VanDerWaalsContact O-CG 3.24Å; E402-M406 WeakPolarHBondContact O-CG 3.21Å; E402-M406 PolarHBondContact O-N 3Å |
| 403 | L | 85.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 173.9 | -72.3 | 170.2 | 0 | 0 | 0 | 112.4 | L359 I377 I382 L385 L386 A389 A399 R400 M406 L407 | L359-L403 HydrophobicContact CD1-CB 3.84Å; L359-L403 HydrophobicContact CD2-CB 4.38Å; L359-L403 HydrophobicContact CD2-CD1 4Å; I377-L403 HydrophobicContact CD1-CD2 4.08Å; I382-L403 HydrophobicContact CB-CD2 4.34Å; I382-L403 HydrophobicContact CD1-CD2 4.04Å; L385-L403 HydrophobicContact CB-CD1 4.5Å; L385-L403 HydrophobicContact CB-CD2 4.02Å; L385-L403 HydrophobicContact CB-CG 4.17Å; L385-L403 HydrophobicContact CD1-CD2 4.42Å; L386-L403 HydrophobicContact CD2-CD1 4.01Å; L386-L403 HydrophobicContact CD2-CD2 4.32Å; A389-L403 HydrophobicContact CB-CD1 3.64Å; A399-L403 WeakPolarHBondContact O-CG 3.33Å; A399-L403 PolarHBondContact O-N 2.92Å; R400-L403 PolarHBondContact O-N 3.07Å; L403-M406 HydrophobicContact CD2-SD 4.41Å; L403-M406 WeakPolarHBondContact O-CB 3.43Å; L403-M406 PolarHBondContact O-N 3.14Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.43Å |
| 404 | V | 82.8 | Confident | 79.2 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.3 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | V356 L359 L360 R400 Q401 E402 M406 L407 M408 | V356-V404 HydrophobicContact CG1-CG1 3.9Å; V356-V404 HydrophobicContact CG1-CG2 4.23Å; L359-V404 HydrophobicContact CB-CG2 3.7Å; L359-V404 HydrophobicContact CD1-CG2 3.84Å; L359-V404 HydrophobicContact CG-CG2 4.42Å; L360-V404 HydrophobicContact CD2-CG2 4.25Å; L360-V404 HydrophobicContact CG-CG2 4.26Å; R400-V404 WeakPolarHBondContact O-CB 3.21Å; R400-V404 VanDerWaalsContact O-CG2 3.28Å; R400-V404 WeakPolarHBondContact O-CG2 3.2Å; R400-V404 PolarHBondContact O-N 3.21Å; Q401-V404 PolarHBondContact O-N 2.77Å; E402-V404 VanDerWaalsContact C-N 3.3Å; E402-V404 PolarHBondContact O-N 2.87Å; V404-M406 VanDerWaalsContact C-N 3.31Å; V404-M406 PolarHBondContact O-N 3.16Å; V404-L407 PolarHBondContact O-N 2.79Å; V404-M408 HydrophobicContact CG1-CE 3.68Å; V404-M408 HydrophobicContact CG1-CG 4.33Å; V404-M408 HydrophobicContact CG1-SD 3.96Å; V404-M408 WeakPolarHBondContact O-CB 2.82Å; V404-M408 VanDerWaalsContact O-CG 3.28Å; V404-M408 WeakPolarHBondContact O-CG 3.48Å; V404-M408 PolarHBondContact O-N 2.78Å |
| 405 | S | 78.4 | Confident | 79.2 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 173.7 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | Q401 E402 L407 M408 D409 | Q401-S405 PolarHBondContact O-N 2.84Å; E402-S405 WeakPolarHBondContact O-CB 3.33Å; E402-S405 PolarHBondContact O-N 3.26Å; S405-L407 VanDerWaalsContact C-N 3.34Å; S405-L407 PolarHBondContact O-N 3.28Å; S405-M408 PolarHBondContact O-N 2.87Å; S405-D409 VanDerWaalsContact O-CB 3.23Å; S405-D409 WeakPolarHBondContact O-CB 3.4Å; S405-D409 VanDerWaalsContact O-CG 3.23Å; S405-D409 PolarHBondContact O-N 3.21Å; S405-D409 PolarHBondContact OG-OD2 3.35Å |
| 406 | M | 79.1 | Confident | 79.4 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 11% | 0.108 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 178.3 | -77.2 | -180 | 102.7 | 0 | 0 | 113.3 | I377 Q380 I382 L385 E402 L403 V404 R410 | I377-M406 HydrophobicContact CD1-CB 4.31Å; I377-M406 HydrophobicContact CG2-CE 4.01Å; Q380-M406 HydrophobicContact CB-CE 4.38Å; I382-M406 HydrophobicContact CG2-CE 3.5Å; I382-M406 HydrophobicContact CG2-SD 4.01Å; L385-M406 HydrophobicContact CD1-SD 3.76Å; E402-M406 HydrophobicContact CG-SD 4.43Å; E402-M406 WeakPolarHBondContact O-CB 3.46Å; E402-M406 VanDerWaalsContact O-CG 3.24Å; E402-M406 WeakPolarHBondContact O-CG 3.21Å; E402-M406 PolarHBondContact O-N 3Å; L403-M406 HydrophobicContact CD2-SD 4.41Å; L403-M406 WeakPolarHBondContact O-CB 3.43Å; L403-M406 PolarHBondContact O-N 3.14Å; V404-M406 VanDerWaalsContact C-N 3.31Å; V404-M406 PolarHBondContact O-N 3.16Å; M406-R410 VanDerWaalsContact CB-NH1 3.29Å; M406-R410 WeakPolarHBondContact O-CD 3.22Å; M406-R410 VanDerWaalsContact O-CG 3.22Å; M406-R410 WeakPolarHBondContact O-CG 3.27Å; M406-R410 PolarHBondContact O-NH1 2.78Å |
| 407 | L | 80.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.1 | -50.7 | 172.9 | -71 | 170.1 | 0 | 0 | 0 | 110.3 | V352 A355 V356 L359 L373 M376 I377 L403 V404 S405 D409 R410 H411 | V352-L407 HydrophobicContact CG1-CB 4.31Å; A355-L407 HydrophobicContact CB-CD1 4.1Å; V356-L407 HydrophobicContact CG2-CB 3.92Å; V356-L407 HydrophobicContact CG2-CD1 3.73Å; V356-L407 HydrophobicContact CG2-CG 4.49Å; L359-L407 HydrophobicContact CD1-CD1 3.68Å; L373-L407 HydrophobicContact CD2-CD1 3.84Å; M376-L407 HydrophobicContact CB-CD2 4.03Å; M376-L407 HydrophobicContact SD-CD2 4.4Å; I377-L407 HydrophobicContact CD1-CD2 3.88Å; I377-L407 HydrophobicContact CD1-CG 4.06Å; I377-L407 HydrophobicContact CG1-CD2 3.85Å; I377-L407 HydrophobicContact CG1-CG 4.49Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.43Å; V404-L407 PolarHBondContact O-N 2.79Å; S405-L407 VanDerWaalsContact C-N 3.34Å; S405-L407 PolarHBondContact O-N 3.28Å; L407-D409 VanDerWaalsContact C-N 3.3Å; L407-D409 PolarHBondContact O-N 3.21Å; L407-R410 PolarHBondContact O-N 3.09Å; L407-R410 VanDerWaalsContact O-N 3.15Å; L407-H411 PolarHBondContact O-CD2 3.49Å; L407-H411 PolarHBondContact O-N 3.06Å |
| 408 | M | 76.6 | Confident | 80 | Confident | 24 Ų | 24 | 28.2 Ų | 28.2 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -39.5 | -176.8 | -70.6 | -174.6 | -54 | 0 | 0 | 113.1 | V404 S405 R410 H411 S414 I691 H692 | V404-M408 HydrophobicContact CG1-CE 3.68Å; V404-M408 HydrophobicContact CG1-CG 4.33Å; V404-M408 HydrophobicContact CG1-SD 3.96Å; V404-M408 WeakPolarHBondContact O-CB 2.82Å; V404-M408 VanDerWaalsContact O-CG 3.28Å; V404-M408 WeakPolarHBondContact O-CG 3.48Å; V404-M408 PolarHBondContact O-N 2.78Å; S405-M408 PolarHBondContact O-N 2.87Å; M408-R410 VanDerWaalsContact C-N 3.31Å; M408-R410 PolarHBondContact O-N 3.13Å; M408-H411 PolarHBondContact O-N 2.76Å; M408-S414 PolarHBondContact O-OG 3.27Å; M408-S414 VanDerWaalsContact O-OG 3.06Å; M408-I691 HydrophobicContact SD-CG2 4.23Å; M408-H692 HydrophobicContact SD-CB 3.73Å |
| 409 | D | 73.2 | Confident | 80.2 | Confident | 36 Ų | 36 | 25.9 Ų | 25.9 | 19% | 0.193 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.3 | -33.3 | 179.4 | -80.6 | -28.2 | 0 | 0 | 0 | 112.4 | S405 L407 L924 N928 | S405-D409 VanDerWaalsContact O-CB 3.23Å; S405-D409 WeakPolarHBondContact O-CB 3.4Å; S405-D409 VanDerWaalsContact O-CG 3.23Å; S405-D409 PolarHBondContact O-N 3.21Å; S405-D409 PolarHBondContact OG-OD2 3.35Å; L407-D409 VanDerWaalsContact C-N 3.3Å; L407-D409 PolarHBondContact O-N 3.21Å; D409-L924 HydrophobicContact CB-CD2 3.42Å; D409-L924 VanDerWaalsContact CB-CD2 3.42Å; D409-N928 WeakPolarHBondContact O-CB 3.25Å; D409-N928 PolarHBondContact O-ND2 2.89Å |
| 410 | R | 72.1 | Confident | 80.3 | Confident | 35 Ų | 35 | 25.6 Ų | 25.6 | 13% | 0.132 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -77.1 | -28.6 | 178 | -71.7 | 177.4 | 171.3 | 83.8 | 1.8 | 113 | I377 M406 L407 M408 G412 V927 | I377-R410 VanDerWaalsContact CG2-CZ 3.44Å; M406-R410 VanDerWaalsContact CB-NH1 3.29Å; M406-R410 WeakPolarHBondContact O-CD 3.22Å; M406-R410 VanDerWaalsContact O-CG 3.22Å; M406-R410 WeakPolarHBondContact O-CG 3.27Å; M406-R410 PolarHBondContact O-NH1 2.78Å; L407-R410 PolarHBondContact O-N 3.09Å; L407-R410 VanDerWaalsContact O-N 3.15Å; M408-R410 VanDerWaalsContact C-N 3.31Å; M408-R410 PolarHBondContact O-N 3.13Å; R410-G412 PolarHBondContact O-N 2.95Å; R410-V927 HydrophobicContact CG-CB 3.93Å; R410-V927 HydrophobicContact CG-CG1 4.3Å; R410-V927 HydrophobicContact CG-CG2 4.08Å |
| 411 | H | 67.8 | Low | 80.1 | Confident | 39 Ų | 39 | 24.6 Ų | 24.6 | 18% | 0.181 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -90.5 | 106.8 | -176.7 | -70.8 | -67.3 | 0 | 0 | 0 | 111.9 | Y349 V352 L407 M408 T413 S414 | Y349-H411 HydrophobicContact CD1-CB 4.05Å; Y349-H411 AromaticContact CD1-ND1 3.88Å; Y349-H411 HydrophobicContact CE1-CB 3.99Å; V352-H411 WeakPolarHBondContact CG1-CD2 3.41Å; V352-H411 VanDerWaalsContact CG2-CD2 3.45Å; V352-H411 WeakPolarHBondContact CG2-CD2 3.24Å; V352-H411 WeakPolarHBondContact CG2-CE1 3.41Å; V352-H411 WeakPolarHBondContact CG2-NE2 3.4Å; L407-H411 PolarHBondContact O-CD2 3.49Å; L407-H411 PolarHBondContact O-N 3.06Å; M408-H411 PolarHBondContact O-N 2.76Å; H411-T413 VanDerWaalsContact C-N 3.26Å; H411-T413 PolarHBondContact O-N 3.18Å; H411-S414 PolarHBondContact O-N 2.77Å; H411-S414 PolarHBondContact O-OG 2.84Å; H411-S414 VanDerWaalsContact O-OG 3.14Å |
| 412 | G | 63.6 | Low | 80.1 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 6% | 0.062 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 31 | -157.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | R410 N930 | R410-G412 PolarHBondContact O-N 2.95Å; G412-N930 PolarHBondContact O-ND2 3.48Å |
| 413 | T | 73.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -13.2 | 162.6 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | L328 H411 R415 V416 L417 R685 | L328-T413 HydrophobicContact CD1-CG2 4.23Å; H411-T413 VanDerWaalsContact C-N 3.26Å; H411-T413 PolarHBondContact O-N 3.18Å; T413-R415 VanDerWaalsContact C-N 3.27Å; T413-R415 PolarHBondContact O-N 2.87Å; T413-R415 VanDerWaalsContact O-N 3.16Å; T413-V416 PolarHBondContact O-N 3.17Å; T413-L417 WeakPolarHBondContact O-CB 3.22Å; T413-L417 PolarHBondContact O-N 3.41Å; T413-R685 PolarHBondContact OG1-NH2 2.97Å |
| 414 | S | 75.7 | Confident | 79.3 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.5 | -175.6 | -39 | 0 | 0 | 0 | 0 | 114.1 | M408 H411 H692 | M408-S414 PolarHBondContact O-OG 3.27Å; M408-S414 VanDerWaalsContact O-OG 3.06Å; H411-S414 PolarHBondContact O-N 2.77Å; H411-S414 PolarHBondContact O-OG 2.84Å; H411-S414 VanDerWaalsContact O-OG 3.14Å; S414-H692 PolarHBondContact O-CE1 3.33Å; S414-H692 PolarHBondContact O-ND1 3.39Å |
| 415 | R | 81.9 | Confident | 79.2 | Confident | 36 Ų | 36 | 23.5 Ų | 23.5 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29.6 | 177.8 | -170.1 | 179.9 | -179.4 | 129 | -0.9 | 112.9 | R168 T413 E935 | R168-R415 VanDerWaalsContact NH1-CG 3.26Å; R168-R415 PolarHBondContact NH1-O 3.39Å; T413-R415 VanDerWaalsContact C-N 3.27Å; T413-R415 PolarHBondContact O-N 2.87Å; T413-R415 VanDerWaalsContact O-N 3.16Å; R415-E935 IonicContact CZ-OE1 3.44Å; R415-E935 IonicContact CZ-OE2 2.67Å; R415-E935 IonicContact NH2-OE1 2.66Å; R415-E935 PolarHBondContact NH2-OE1 2.82Å; R415-E935 IonicContact NH2-OE2 3.7Å; R415-E935 PolarHBondContact NH2-OE2 3.38Å |
| 416 | V | 86.7 | Confident | 79.2 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -24.9 | -169.8 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | V173 L174 L328 L331 T413 N930 | V173-V416 CarbonylContact C-O 3.3Å; V173-V416 WeakPolarHBondContact CA-O 3.45Å; L174-V416 PolarHBondContact N-O 3.1Å; L328-V416 HydrophobicContact CD2-CG1 4.15Å; L331-V416 HydrophobicContact CB-CG1 4.12Å; L331-V416 HydrophobicContact CD1-CG1 3.4Å; L331-V416 VanDerWaalsContact CD1-CG1 3.4Å; L331-V416 HydrophobicContact CG-CG1 4.41Å; T413-V416 PolarHBondContact O-N 3.17Å; V416-N930 HydrophobicContact CG2-CB 4.1Å; V416-N930 WeakPolarHBondContact CG2-ND2 3.46Å |
| 417 | L | 88.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.3 | -176.3 | 175.8 | 60.3 | 0 | 0 | 0 | 110.1 | L174 A176 T413 L689 | L174-L417 HydrophobicContact CB-CD1 3.92Å; L174-L417 HydrophobicContact CD2-CD1 3.74Å; L174-L417 HydrophobicContact CG-CD1 3.71Å; L174-L417 WeakPolarHBondContact O-CA 3.21Å; L174-L417 WeakPolarHBondContact O-CD1 3.22Å; A176-L417 HydrophobicContact CB-CD1 3.42Å; A176-L417 VanDerWaalsContact CB-CD1 3.42Å; T413-L417 WeakPolarHBondContact O-CB 3.22Å; T413-L417 PolarHBondContact O-N 3.41Å; L417-L689 HydrophobicContact CB-CD2 4.23Å; L417-L689 HydrophobicContact CD2-CD1 3.43Å; L417-L689 VanDerWaalsContact CD2-CD1 3.43Å; L417-L689 HydrophobicContact CD2-CD2 4.03Å; L417-L689 HydrophobicContact CD2-CG 4.4Å; L417-L689 HydrophobicContact CG-CD1 3.96Å; L417-L689 HydrophobicContact CG-CD2 4.03Å |
| 418 | F | 90.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.2 | 171.4 | -63.9 | -98.8 | 0 | 0 | 0 | 108.9 | I161 V165 V173 L174 L175 A176 H692 S693 | I161-F418 HydrophobicContact CD1-CB 4.04Å; I161-F418 HydrophobicContact CG1-CB 4.17Å; I161-F418 HydrophobicContact CG1-CD1 3.84Å; I161-F418 HydrophobicContact CG1-CG 4.25Å; I161-F418 HydrophobicContact CG2-CB 4.43Å; I161-F418 HydrophobicContact CG2-CD1 4.37Å; I161-F418 HydrophobicContact CG2-CG 4.27Å; V165-F418 HydrophobicContact CG2-CD2 4.14Å; V165-F418 HydrophobicContact CG2-CE1 4.33Å; V165-F418 HydrophobicContact CG2-CE2 3.45Å; V165-F418 VanDerWaalsContact CG2-CE2 3.45Å; V165-F418 HydrophobicContact CG2-CZ 3.55Å; V173-F418 HydrophobicContact CG1-CD2 3.33Å; V173-F418 HydrophobicContact CG1-CE2 3.56Å; V173-F418 HydrophobicContact CG2-CE2 4.17Å; L174-F418 PolarHBondContact O-N 3.18Å; L175-F418 HydrophobicContact CD2-CB 4.23Å; L175-F418 HydrophobicContact CD2-CD2 4.47Å; A176-F418 WeakPolarHBondContact CA-O 3.46Å; A176-F418 WeakPolarHBondContact CB-O 3.48Å; A176-F418 PolarHBondContact N-O 3.13Å; F418-H692 AromaticContact CE1-CE1 3.66Å; F418-H692 AromaticContact CE1-ND1 3.94Å; F418-S693 VanDerWaalsContact CA-OG 3.31Å; F418-S693 WeakPolarHBondContact CA-OG 3.37Å |
| 419 | R | 88.2 | Confident | 79.9 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | trans | -154 | 115.5 | -177.2 | 179 | 169.4 | 174 | 79.9 | -5.6 | 110.3 | A176 D177 D686 L689 E690 S693 | A176-R419 HydrophobicContact CB-CB 4.24Å; A176-R419 PolarHBondContact O-NH1 3.36Å; D177-R419 WeakPolarHBondContact OD1-CA 3.49Å; R419-D686 WeakPolarHBondContact CD-OD1 3.4Å; R419-D686 IonicContact CZ-OD1 3.25Å; R419-D686 IonicContact CZ-OD2 3.38Å; R419-D686 IonicContact NE-OD1 2.67Å; R419-D686 PolarHBondContact NE-OD1 3.29Å; R419-D686 IonicContact NE-OD2 3.29Å; R419-D686 PolarHBondContact NE-OD2 2.73Å; R419-D686 IonicContact NH2-OD2 2.81Å; R419-D686 PolarHBondContact NH2-OD2 2.96Å; R419-L689 HydrophobicContact CB-CB 4.07Å; R419-L689 HydrophobicContact CB-CD1 4.32Å; R419-L689 CarbonylContact O-C 3.46Å; R419-E690 WeakPolarHBondContact O-CA 3.4Å; R419-E690 PolarHBondContact O-N 3.2Å; R419-S693 PolarHBondContact N-OG 3.04Å | ||
| 420 | N | 88.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -105 | 150.9 | 163 | -59.6 | -79.7 | 0 | 0 | 0 | 110.8 | H157 I161 D177 E178 L181 V425 N694 | H157-N420 PolarHBondContact CD2-ND2 2.93Å; I161-N420 WeakPolarHBondContact CD1-ND2 3.36Å; D177-N420 PolarHBondContact OD1-N 2.83Å; D177-N420 PolarHBondContact OD1-ND2 2.81Å; D177-N420 WeakPolarHBondContact OD2-CB 3.42Å; D177-N420 PolarHBondContact OD2-ND2 3.44Å; E178-N420 PolarHBondContact N-O 3.04Å; L181-N420 HydrophobicContact CD1-CB 4.03Å; L181-N420 WeakPolarHBondContact CD1-O 3.38Å; N420-V425 HydrophobicContact CB-CG2 3.9Å; N420-N694 WeakPolarHBondContact OD1-CA 3.36Å; N420-N694 PolarHBondContact OD1-N 2.9Å | ||
| 421 | T | 83.5 | Confident | 81.8 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -111.7 | 157.5 | 173.3 | 75.1 | 0 | 0 | 0 | 0 | 110.5 | N423 G424 V425 E690 | T421-N423 PolarHBondContact O-N 3.5Å; T421-G424 PolarHBondContact O-N 3.31Å; T421-G424 VanDerWaalsContact O-N 3.15Å; T421-G424 PolarHBondContact OG1-N 3.1Å; T421-V425 WeakPolarHBondContact O-CG2 3.48Å; T421-V425 PolarHBondContact O-N 2.94Å; T421-V425 VanDerWaalsContact O-N 3.07Å; T421-E690 WeakPolarHBondContact CG2-OE2 3.09Å; T421-E690 PolarHBondContact OG1-OE2 3.42Å | ||
| 422 | R | 81.6 | Confident | 83.2 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.8 | 174.6 | -74.2 | 164.6 | 169.8 | -114.5 | 4.6 | 113.4 | E178 V179 G424 F428 R431 D598 | E178-R422 WeakPolarHBondContact OE2-CB 3.44Å; E178-R422 WeakPolarHBondContact OE2-CG 3.42Å; E178-R422 PolarHBondContact OE2-N 3.4Å; V179-R422 PolarHBondContact O-NE 2.92Å; V179-R422 PolarHBondContact O-NH2 2.99Å; R422-G424 VanDerWaalsContact C-N 3.32Å; R422-F428 HydrophobicContact CB-CD2 4.3Å; R422-F428 HydrophobicContact CB-CE2 4.33Å; R422-F428 HydrophobicContact CG-CD1 4.48Å; R422-F428 HydrophobicContact CG-CD2 4.11Å; R422-F428 HydrophobicContact CG-CE1 4.17Å; R422-F428 HydrophobicContact CG-CE2 3.81Å; R422-F428 HydrophobicContact CG-CG 4.44Å; R422-F428 HydrophobicContact CG-CZ 3.83Å; R422-R431 VanDerWaalsContact NH1-NH2 3.13Å; R422-D598 IonicContact CZ-OD1 3.1Å; R422-D598 IonicContact CZ-OD2 2.76Å; R422-D598 IonicContact NH1-OD1 3.8Å; R422-D598 PolarHBondContact NH1-OD1 2.98Å; R422-D598 VanDerWaalsContact NH1-OD1 3.15Å; R422-D598 IonicContact NH1-OD2 3.46Å; R422-D598 PolarHBondContact NH1-OD2 2.99Å; R422-D598 PolarHBondContact NH2-O 3.44Å; R422-D598 IonicContact NH2-OD1 3.35Å; R422-D598 IonicContact NH2-OD2 3.91Å |
| 423 | N | 77.3 | Confident | 84.7 | Confident | 120 Ų | 120 | 41.4 Ų | 41.4 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.3 | 175.2 | -75.3 | -14 | 0 | 0 | 0 | 111.4 | T421 E682 | T421-N423 PolarHBondContact O-N 3.5Å; N423-E682 PolarHBondContact ND2-OE1 2.75Å |
| 424 | G | 75.5 | Confident | 85.9 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 27% | 0.268 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | T421 R422 E690 | T421-G424 PolarHBondContact O-N 3.31Å; T421-G424 VanDerWaalsContact O-N 3.15Å; T421-G424 PolarHBondContact OG1-N 3.1Å; R422-G424 VanDerWaalsContact C-N 3.32Å; G424-E690 WeakPolarHBondContact CA-OE1 3.48Å |
| 425 | V | 80.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -101.2 | 116 | -174.1 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | L181 N420 T421 F428 I600 | L181-V425 HydrophobicContact CD2-CB 3.86Å; L181-V425 HydrophobicContact CD2-CG1 3.9Å; L181-V425 HydrophobicContact CD2-CG2 3.96Å; N420-V425 HydrophobicContact CB-CG2 3.9Å; T421-V425 WeakPolarHBondContact O-CG2 3.48Å; T421-V425 PolarHBondContact O-N 2.94Å; T421-V425 VanDerWaalsContact O-N 3.07Å; V425-F428 HydrophobicContact CB-CE2 4.46Å; V425-F428 HydrophobicContact CG1-CE2 4.33Å; V425-I600 HydrophobicContact CG1-CD1 3.62Å |
| 426 | K | 79.3 | Confident | 87.6 | Confident | 197 Ų | 197 | 46.7 Ų | 46.7 | 86% | 0.857 | 25% | 0.245 | S | C | * | . | trans | -71.3 | 159.5 | 175.2 | -61.6 | 178.9 | -176 | 172.5 | 0 | 111.4 | ||||
| 427 | G | 78.9 | Confident | 88 | Confident | 50 Ų | 50 | 52 Ų | 52 | 52% | 0.515 | 27% | 0.267 | S | S | . | . | trans | 106.6 | 7.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 428 | F | 84.2 | Confident | 88.4 | Confident | 44 Ų | 44 | 53 Ų | 53 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | trans | -86.3 | 134.7 | 167.7 | -70.4 | -87.3 | 0 | 0 | 0 | 110.5 | L181 R422 V425 I600 | L181-F428 HydrophobicContact CD2-CE2 3.55Å; L181-F428 HydrophobicContact CD2-CZ 3.55Å; L181-F428 HydrophobicContact CG-CE2 4.45Å; L181-F428 HydrophobicContact CG-CZ 4.07Å; R422-F428 HydrophobicContact CB-CD2 4.3Å; R422-F428 HydrophobicContact CB-CE2 4.33Å; R422-F428 HydrophobicContact CG-CD1 4.48Å; R422-F428 HydrophobicContact CG-CD2 4.11Å; R422-F428 HydrophobicContact CG-CE1 4.17Å; R422-F428 HydrophobicContact CG-CE2 3.81Å; R422-F428 HydrophobicContact CG-CG 4.44Å; R422-F428 HydrophobicContact CG-CZ 3.83Å; V425-F428 HydrophobicContact CB-CE2 4.46Å; V425-F428 HydrophobicContact CG1-CE2 4.33Å; F428-I600 HydrophobicContact CE1-CB 4.27Å; F428-I600 HydrophobicContact CE2-CB 4.31Å; F428-I600 HydrophobicContact CZ-CB 3.83Å | ||
| 429 | P | 86.8 | Confident | 88.6 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 16% | 0.162 | 30% | 0.299 | C | S | . | . | trans | -77.3 | 175.2 | 173.8 | 40.4 | -43.2 | 0 | 0 | 0 | 110.6 | Q602 H604 D605 I606 | P429-Q602 HydrophobicContact CG-CB 3.98Å; P429-Q602 HydrophobicContact CG-CG 3.62Å; P429-H604 WeakPolarHBondContact CB-O 3.29Å; P429-H604 WeakPolarHBondContact CG-O 3.35Å; P429-D605 WeakPolarHBondContact CB-OD1 3.38Å; P429-I606 HydrophobicContact CG-CD1 4.07Å; P429-I606 HydrophobicContact CG-CG1 4Å | ||
| 430 | K | 91 | Very high | 88.8 | Confident | 148 Ų | 148 | 57.3 Ų | 57.3 | 64% | 0.643 | 30% | 0.301 | S | S | * | . | trans | -79 | 150.5 | 175.7 | -64.3 | 178.9 | -178.8 | 176.9 | 0 | 111 | D605 I606 | K430-D605 PolarHBondContact N-OD1 3.45Å; K430-D605 CarbonylContact O-C 3.49Å; K430-D605 WeakPolarHBondContact O-CA 3.37Å; K430-I606 PolarHBondContact O-N 2.78Å | ||
| 431 | R | 94.4 | Very high | 89.1 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 6% | 0.064 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.4 | 167.4 | -58.4 | 176 | -171.6 | -167.8 | -12.7 | 108.4 | R422 E591 D598 I608 F632 H634 T635 | R422-R431 VanDerWaalsContact NH1-NH2 3.13Å; R431-E591 IonicContact CZ-OE1 3.89Å; R431-E591 IonicContact CZ-OE2 2.76Å; R431-E591 IonicContact NH1-OE1 3.95Å; R431-E591 PolarHBondContact NH1-OE1 2.81Å; R431-E591 IonicContact NH1-OE2 3.64Å; R431-E591 PolarHBondContact NH1-OE2 2.97Å; R431-E591 IonicContact NH2-OE1 3.92Å; R431-E591 PolarHBondContact NH2-OE1 2.74Å; R431-E591 IonicContact NH2-OE2 3.88Å; R431-D598 IonicContact CZ-OD2 2.84Å; R431-D598 IonicContact NE-OD2 2.95Å; R431-D598 PolarHBondContact NE-OD2 3.47Å; R431-D598 IonicContact NH2-OD2 2.96Å; R431-D598 PolarHBondContact NH2-OD2 3.21Å; R431-I608 HydrophobicContact CB-CD1 4.07Å; R431-I608 HydrophobicContact CG-CD1 4.43Å; R431-F632 WeakPolarHBondContact CB-O 3.41Å; R431-F632 WeakPolarHBondContact CD-O 3.5Å; R431-H634 PolarHBondContact NH1-O 3.13Å; R431-T635 VanDerWaalsContact NH2-CG2 3.27Å |
| 432 | E | 96.3 | Very high | 89.5 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.7 | 177.5 | -65.4 | -171.7 | 161.9 | 0 | 0 | 109.9 | H434 I606 Q607 I608 | E432-H434 PolarHBondContact O-CD2 2.88Å; E432-I606 PolarHBondContact N-O 3.42Å; E432-Q607 PolarHBondContact OE2-NE2 3.11Å; E432-Q607 PolarHBondContact OE2-OE1 3.44Å; E432-I608 PolarHBondContact O-N 3.14Å |
| 433 | L | 97 | Very high | 90 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.7 | 178.7 | 176.7 | 64.7 | 0 | 0 | 0 | 111.5 | T435 I608 V610 H626 F632 E633 | L433-T435 HydrophobicContact CD1-CG2 4.09Å; L433-T435 HydrophobicContact CD2-CG2 3.71Å; L433-T435 HydrophobicContact CG-CG2 3.76Å; L433-I608 HydrophobicContact CD1-CG2 4.21Å; L433-V610 HydrophobicContact CD1-CB 4.43Å; L433-V610 HydrophobicContact CD1-CG2 3.65Å; L433-H626 HydrophobicContact CD2-CB 3.99Å; L433-F632 HydrophobicContact CB-CB 4.19Å; L433-F632 HydrophobicContact CD1-CB 3.98Å; L433-F632 HydrophobicContact CD1-CD1 4.08Å; L433-F632 HydrophobicContact CD1-CD2 4.02Å; L433-F632 HydrophobicContact CD1-CG 3.77Å; L433-F632 HydrophobicContact CD2-CB 3.99Å; L433-F632 HydrophobicContact CD2-CD2 3.63Å; L433-F632 HydrophobicContact CD2-CE2 4.36Å; L433-F632 HydrophobicContact CD2-CG 4.01Å; L433-F632 HydrophobicContact CG-CB 4.26Å; L433-F632 HydrophobicContact CG-CD2 4.44Å; L433-F632 HydrophobicContact CG-CG 4.4Å; L433-E633 HydrophobicContact CB-CG 4Å |
| 434 | H | 97.2 | Very high | 90.8 | Very high | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 98.7 | 170.7 | -60.4 | -79.2 | 0 | 0 | 0 | 109.3 | E432 I436 Q607 I608 H609 V610 | E432-H434 PolarHBondContact O-CD2 2.88Å; H434-I436 HydrophobicContact CB-CD1 4.49Å; H434-I436 WeakPolarHBondContact O-CD1 3.24Å; H434-Q607 PolarHBondContact NE2-OE1 3.07Å; H434-I608 PolarHBondContact N-O 3.2Å; H434-H609 AromaticContact CD2-CE1 3.64Å; H434-H609 AromaticContact CG-CE1 3.84Å; H434-H609 AromaticContact CG-ND1 3.9Å; H434-H609 WeakPolarHBondContact O-CA 3.49Å; H434-V610 PolarHBondContact O-N 3.41Å |
| 435 | T | 96.2 | Very high | 91.5 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.3 | 174.7 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | L433 V622 | L433-T435 HydrophobicContact CD1-CG2 4.09Å; L433-T435 HydrophobicContact CD2-CG2 3.71Å; L433-T435 HydrophobicContact CG-CG2 3.76Å; T435-V622 HydrophobicContact CG2-CG1 3.95Å |
| 436 | I | 97.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.138 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 96.8 | -179.4 | -52.8 | 97.9 | 0 | 0 | 0 | 109 | H434 L438 W493 H609 V610 P611 Y612 | H434-I436 HydrophobicContact CB-CD1 4.49Å; H434-I436 WeakPolarHBondContact O-CD1 3.24Å; I436-L438 HydrophobicContact CG2-CD1 4.26Å; I436-L438 HydrophobicContact CG2-CD2 4.03Å; I436-L438 HydrophobicContact CG2-CG 4.03Å; I436-L438 PolarHBondContact O-N 3.44Å; I436-W493 HydrophobicContact CD1-CH2 3.83Å; I436-W493 HydrophobicContact CD1-CZ2 3.4Å; I436-W493 VanDerWaalsContact CD1-CZ2 3.4Å; I436-W493 HydrophobicContact CG1-CD2 4.47Å; I436-W493 HydrophobicContact CG1-CZ2 3.72Å; I436-W493 HydrophobicContact CG2-CD2 4.16Å; I436-W493 HydrophobicContact CG2-CG 3.96Å; I436-H609 HydrophobicContact CD1-CB 3.88Å; I436-V610 PolarHBondContact N-O 3.25Å; I436-P611 HydrophobicContact CB-CB 4.34Å; I436-P611 WeakPolarHBondContact O-CA 3.35Å; I436-Y612 PolarHBondContact O-N 2.94Å |
| 437 | K | 96.2 | Very high | 92.3 | Very high | 125 Ų | 125 | 56.2 Ų | 56.2 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 119.6 | -179.8 | -168.9 | 179.7 | -160.4 | -126 | 0 | 110.8 | Y612 E614 | K437-Y612 HydrophobicContact CB-CE1 4.06Å; K437-Y612 HydrophobicContact CB-CE2 4.38Å; K437-Y612 WeakPolarHBondContact CB-OH 3.38Å; K437-Y612 HydrophobicContact CG-CE2 3.96Å; K437-Y612 WeakPolarHBondContact CG-OH 3.24Å; K437-E614 HydrophobicContact CD-CG 4.22Å; K437-E614 VanDerWaalsContact CD-OE1 3.3Å; K437-E614 WeakPolarHBondContact CD-OE1 3.39Å; K437-E614 WeakPolarHBondContact CE-OE1 3.3Å; K437-E614 HydrophobicContact CG-CG 3.67Å; K437-E614 WeakPolarHBondContact CG-OE1 3.47Å; K437-E614 IonicContact NZ-OE1 3.75Å; K437-E614 PolarHBondContact NZ-OE1 2.81Å |
| 438 | L | 96.2 | Very high | 92.8 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.3 | -175.7 | -63 | 167.2 | 0 | 0 | 0 | 111.9 | I436 P489 R490 W493 P611 Y612 L613 E614 | I436-L438 HydrophobicContact CG2-CD1 4.26Å; I436-L438 HydrophobicContact CG2-CD2 4.03Å; I436-L438 HydrophobicContact CG2-CG 4.03Å; I436-L438 PolarHBondContact O-N 3.44Å; L438-P489 HydrophobicContact CB-CB 4.28Å; L438-P489 HydrophobicContact CB-CG 3.98Å; L438-P489 HydrophobicContact CD1-CB 4.5Å; L438-P489 HydrophobicContact CD2-CB 4.3Å; L438-R490 HydrophobicContact CD1-CB 4.14Å; L438-R490 HydrophobicContact CD1-CG 3.65Å; L438-W493 HydrophobicContact CD1-CB 4.4Å; L438-P611 HydrophobicContact CD1-CB 4Å; L438-Y612 PolarHBondContact N-O 3.07Å; L438-L613 HydrophobicContact CB-CD2 4.14Å; L438-L613 CarbonylContact O-C 3.51Å; L438-L613 WeakPolarHBondContact O-CA 3.32Å; L438-E614 WeakPolarHBondContact O-CG 3.22Å; L438-E614 PolarHBondContact O-N 3.03Å |
| 439 | P | 95.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 60.5 Ų | 60.5 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 139.4 | -178.2 | 29.1 | -34.8 | 0 | 0 | 0 | 111.4 | P441 P489 | P439-P441 VanDerWaalsContact O-CD 3.22Å; P439-P441 WeakPolarHBondContact O-CD 3.42Å; P439-P489 WeakPolarHBondContact O-CG 3.24Å |
| 440 | L | 92.5 | Very high | 92.8 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 117 | 174.9 | -179.3 | 62.6 | 0 | 0 | 0 | 111.3 | Y444 Q445 I448 L613 E614 T616 | L440-Y444 HydrophobicContact CD1-CD2 4.19Å; L440-Y444 HydrophobicContact CD1-CG 4.48Å; L440-Q445 HydrophobicContact CD2-CG 3.62Å; L440-Q445 HydrophobicContact CG-CG 3.77Å; L440-Q445 PolarHBondContact O-NE2 3.3Å; L440-I448 HydrophobicContact CD1-CD1 4.4Å; L440-I448 HydrophobicContact CD2-CD1 4.41Å; L440-L613 HydrophobicContact CD1-CB 4.28Å; L440-L613 HydrophobicContact CD1-CD1 4.15Å; L440-E614 WeakPolarHBondContact CB-O 3.42Å; L440-T616 HydrophobicContact CD1-CG2 3.64Å; L440-T616 HydrophobicContact CD2-CG2 4.09Å; L440-T616 HydrophobicContact CG-CG2 4.36Å |
| 441 | P | 94.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.104 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 146.6 | 178.5 | -26.8 | 36.8 | 0 | 0 | 0 | 113.4 | P439 Q443 Y444 Q445 F487 P489 | P439-P441 VanDerWaalsContact O-CD 3.22Å; P439-P441 WeakPolarHBondContact O-CD 3.42Å; P441-Q443 PolarHBondContact O-N 3.23Å; P441-Y444 HydrophobicContact CB-CD2 4.39Å; P441-Y444 HydrophobicContact CG-CD2 4Å; P441-Y444 HydrophobicContact CG-CE2 4.33Å; P441-Y444 PolarHBondContact O-N 3.02Å; P441-Y444 VanDerWaalsContact O-N 3.12Å; P441-Q445 WeakPolarHBondContact O-CG 3.47Å; P441-Q445 PolarHBondContact O-N 3.45Å; P441-F487 HydrophobicContact CB-CD2 3.68Å; P441-F487 HydrophobicContact CB-CE2 4.08Å; P441-F487 HydrophobicContact CG-CD2 4.01Å; P441-F487 HydrophobicContact CG-CE2 4.45Å; P441-P489 VanDerWaalsContact CG-CD 3.49Å; P441-P489 HydrophobicContact CG-CG 4.3Å |
| 442 | T | 92.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.1 | -32.7 | 178.7 | 42.4 | 0 | 0 | 0 | 0 | 113.3 | Q445 T446 | T442-Q445 WeakPolarHBondContact O-CB 3.4Å; T442-Q445 PolarHBondContact O-N 2.81Å; T442-T446 PolarHBondContact O-N 3.07Å; T442-T446 PolarHBondContact O-OG1 2.99Å |
| 443 | Q | 92.1 | Very high | 91.1 | Very high | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 177.7 | -66.5 | 83.9 | -27.8 | 0 | 0 | 110.5 | P441 T446 A447 Y474 F487 | P441-Q443 PolarHBondContact O-N 3.23Å; Q443-T446 PolarHBondContact O-N 2.94Å; Q443-A447 WeakPolarHBondContact O-CB 3.44Å; Q443-A447 PolarHBondContact O-N 2.83Å; Q443-Y474 HydrophobicContact CB-CD2 4.22Å; Q443-Y474 HydrophobicContact CB-CE2 3.93Å; Q443-Y474 HydrophobicContact CG-CE2 4.42Å; Q443-F487 HydrophobicContact CB-CD2 4.13Å; Q443-F487 HydrophobicContact CB-CE1 4.05Å; Q443-F487 HydrophobicContact CB-CE2 3.64Å; Q443-F487 HydrophobicContact CB-CZ 3.59Å; Q443-F487 HydrophobicContact CG-CD1 4.13Å; Q443-F487 HydrophobicContact CG-CD2 4.29Å; Q443-F487 HydrophobicContact CG-CE1 4.01Å; Q443-F487 HydrophobicContact CG-CE2 4.21Å; Q443-F487 HydrophobicContact CG-CG 4.26Å; Q443-F487 HydrophobicContact CG-CZ 4.06Å |
| 444 | Y | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 174.4 | -67.5 | -19.4 | 0 | 0 | 0 | 112 | L440 P441 T446 A447 I448 P470 E471 Y474 W484 F487 D488 L613 | L440-Y444 HydrophobicContact CD1-CD2 4.19Å; L440-Y444 HydrophobicContact CD1-CG 4.48Å; P441-Y444 HydrophobicContact CB-CD2 4.39Å; P441-Y444 HydrophobicContact CG-CD2 4Å; P441-Y444 HydrophobicContact CG-CE2 4.33Å; P441-Y444 PolarHBondContact O-N 3.02Å; P441-Y444 VanDerWaalsContact O-N 3.12Å; Y444-T446 VanDerWaalsContact C-N 3.31Å; Y444-T446 PolarHBondContact O-N 3.21Å; Y444-A447 PolarHBondContact O-N 2.75Å; Y444-I448 VanDerWaalsContact O-CB 3.24Å; Y444-I448 WeakPolarHBondContact O-CB 3.34Å; Y444-I448 WeakPolarHBondContact O-CD1 3.37Å; Y444-I448 WeakPolarHBondContact O-CG1 3.45Å; Y444-I448 PolarHBondContact O-N 2.88Å; Y444-P470 HydrophobicContact CD1-CB 4.24Å; Y444-P470 HydrophobicContact CD2-CB 3.62Å; Y444-P470 HydrophobicContact CE2-CB 3.98Å; Y444-P470 HydrophobicContact CG-CB 3.79Å; Y444-E471 WeakPolarHBondContact OH-CA 3.29Å; Y444-E471 WeakPolarHBondContact OH-CB 3.36Å; Y444-Y474 HydrophobicContact CD1-CD2 4.46Å; Y444-Y474 HydrophobicContact CD1-CG 4.29Å; Y444-Y474 HydrophobicContact CE1-CG 4.08Å; Y444-W484 HydrophobicContact CE1-CB 4.42Å; Y444-W484 VanDerWaalsContact OH-CE3 3.28Å; Y444-F487 AromaticContact CD1-CE2 3.71Å; Y444-F487 HydrophobicContact CD1-CE2 3.71Å; Y444-F487 HydrophobicContact CD1-CZ 4.01Å; Y444-F487 HydrophobicContact CD2-CE2 4.35Å; Y444-F487 AromaticContact CE1-CE2 3.42Å; Y444-F487 HydrophobicContact CE1-CE2 3.42Å; Y444-F487 VanDerWaalsContact CE1-CE2 3.42Å; Y444-F487 AromaticContact CE1-CZ 3.57Å; Y444-F487 HydrophobicContact CE1-CZ 3.57Å; Y444-F487 HydrophobicContact CE2-CE2 4.07Å; Y444-F487 HydrophobicContact CG-CE2 4.18Å; Y444-F487 AromaticContact CZ-CE2 3.6Å; Y444-D488 PolarHBondContact OH-OD2 2.71Å; Y444-L613 HydrophobicContact CD2-CD1 3.86Å; Y444-L613 HydrophobicContact CE2-CD1 3.97Å |
| 445 | Q | 90.7 | Very high | 88.8 | Confident | 96 Ų | 96 | 61.5 Ų | 61.5 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 173.8 | -64.8 | 175.8 | 27.4 | 0 | 0 | 111.8 | L440 P441 T442 K449 | L440-Q445 HydrophobicContact CD2-CG 3.62Å; L440-Q445 HydrophobicContact CG-CG 3.77Å; L440-Q445 PolarHBondContact O-NE2 3.3Å; P441-Q445 WeakPolarHBondContact O-CG 3.47Å; P441-Q445 PolarHBondContact O-N 3.45Å; T442-Q445 WeakPolarHBondContact O-CB 3.4Å; T442-Q445 PolarHBondContact O-N 2.81Å; Q445-K449 VanDerWaalsContact O-CB 3.29Å; Q445-K449 WeakPolarHBondContact O-CB 3.42Å; Q445-K449 PolarHBondContact O-N 3.42Å |
| 446 | T | 88.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 56% | 0.564 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.2 | -47.3 | 177 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | T442 Q443 Y444 I448 K449 V450 | T442-T446 PolarHBondContact O-N 3.07Å; T442-T446 PolarHBondContact O-OG1 2.99Å; Q443-T446 PolarHBondContact O-N 2.94Å; Y444-T446 VanDerWaalsContact C-N 3.31Å; Y444-T446 PolarHBondContact O-N 3.21Å; T446-I448 PolarHBondContact O-N 3.23Å; T446-K449 PolarHBondContact O-N 2.92Å; T446-V450 HydrophobicContact CG2-CG2 4.34Å; T446-V450 VanDerWaalsContact O-CG2 3.32Å; T446-V450 WeakPolarHBondContact O-CG2 3.42Å; T446-V450 PolarHBondContact O-N 2.86Å |
| 447 | A | 88.3 | Confident | 86 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q443 Y444 K449 V450 S451 I473 Y474 F477 | Q443-A447 WeakPolarHBondContact O-CB 3.44Å; Q443-A447 PolarHBondContact O-N 2.83Å; Y444-A447 PolarHBondContact O-N 2.75Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 PolarHBondContact O-N 2.89Å; A447-V450 PolarHBondContact O-N 2.98Å; A447-S451 VanDerWaalsContact O-CB 3.27Å; A447-S451 WeakPolarHBondContact O-CB 3.26Å; A447-S451 PolarHBondContact O-N 3.5Å; A447-I473 HydrophobicContact CB-CG2 3.99Å; A447-Y474 HydrophobicContact CB-CD2 4.4Å; A447-F477 HydrophobicContact CB-CD2 4.17Å; A447-F477 HydrophobicContact CB-CE2 4.47Å |
| 448 | I | 88.1 | Confident | 85.2 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 174.8 | -73.4 | 166.2 | 0 | 0 | 0 | 110.9 | L440 Y444 T446 S451 G452 M467 I473 | L440-I448 HydrophobicContact CD1-CD1 4.4Å; L440-I448 HydrophobicContact CD2-CD1 4.41Å; Y444-I448 VanDerWaalsContact O-CB 3.24Å; Y444-I448 WeakPolarHBondContact O-CB 3.34Å; Y444-I448 WeakPolarHBondContact O-CD1 3.37Å; Y444-I448 WeakPolarHBondContact O-CG1 3.45Å; Y444-I448 PolarHBondContact O-N 2.88Å; T446-I448 PolarHBondContact O-N 3.23Å; I448-S451 PolarHBondContact O-N 3Å; I448-G452 PolarHBondContact O-N 3.37Å; I448-M467 HydrophobicContact CB-CE 4.4Å; I448-M467 HydrophobicContact CD1-SD 4.39Å; I448-M467 HydrophobicContact CG1-CE 4.24Å; I448-M467 HydrophobicContact CG1-SD 4.12Å; I448-M467 HydrophobicContact CG2-CE 3.83Å; I448-M467 HydrophobicContact CG2-SD 3.76Å; I448-I473 HydrophobicContact CG1-CD1 3.93Å |
| 449 | K | 86.8 | Confident | 84.7 | Confident | 153 Ų | 153 | 72.6 Ų | 72.6 | 67% | 0.665 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 179 | -172.9 | 176.7 | -178.8 | 178.1 | 0 | 112.3 | Q445 T446 A447 G452 I453 | Q445-K449 VanDerWaalsContact O-CB 3.29Å; Q445-K449 WeakPolarHBondContact O-CB 3.42Å; Q445-K449 PolarHBondContact O-N 3.42Å; T446-K449 PolarHBondContact O-N 2.92Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 PolarHBondContact O-N 2.89Å; K449-G452 PolarHBondContact O-N 3.39Å; K449-I453 HydrophobicContact CG-CD1 4.45Å; K449-I453 WeakPolarHBondContact O-CG1 3.26Å; K449-I453 PolarHBondContact O-N 2.91Å |
| 450 | V | 84.7 | Confident | 84.1 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 177.2 | 175 | 0 | 0 | 0 | 0 | 110.5 | T446 A447 G452 I453 M454 F477 | T446-V450 HydrophobicContact CG2-CG2 4.34Å; T446-V450 VanDerWaalsContact O-CG2 3.32Å; T446-V450 WeakPolarHBondContact O-CG2 3.42Å; T446-V450 PolarHBondContact O-N 2.86Å; A447-V450 PolarHBondContact O-N 2.98Å; V450-G452 VanDerWaalsContact C-N 3.32Å; V450-G452 PolarHBondContact O-N 3.48Å; V450-I453 PolarHBondContact O-N 3.37Å; V450-I453 VanDerWaalsContact O-N 3.13Å; V450-M454 HydrophobicContact CG1-CE 4.21Å; V450-M454 HydrophobicContact CG1-SD 4.26Å; V450-M454 PolarHBondContact O-N 3.02Å; V450-F477 HydrophobicContact CB-CZ 4.3Å; V450-F477 HydrophobicContact CG1-CD1 4.22Å; V450-F477 HydrophobicContact CG1-CE1 3.65Å; V450-F477 HydrophobicContact CG1-CZ 3.86Å |
| 451 | S | 84.3 | Confident | 83.8 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | A447 I448 I453 M454 G455 | A447-S451 VanDerWaalsContact O-CB 3.27Å; A447-S451 WeakPolarHBondContact O-CB 3.26Å; A447-S451 PolarHBondContact O-N 3.5Å; I448-S451 PolarHBondContact O-N 3Å; S451-I453 VanDerWaalsContact C-N 3.34Å; S451-I453 PolarHBondContact O-N 2.96Å; S451-M454 PolarHBondContact O-N 3.42Å; S451-G455 VanDerWaalsContact O-CA 3.3Å; S451-G455 WeakPolarHBondContact O-CA 3.14Å; S451-G455 PolarHBondContact O-N 2.79Å |
| 452 | G | 80.8 | Confident | 83.4 | Confident | 27 Ų | 27 | 75 Ų | 75 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -34.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I448 K449 V450 | I448-G452 PolarHBondContact O-N 3.37Å; K449-G452 PolarHBondContact O-N 3.39Å; V450-G452 VanDerWaalsContact C-N 3.32Å; V450-G452 PolarHBondContact O-N 3.48Å |
| 453 | I | 81.6 | Confident | 83.1 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 65% | 0.646 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -73.3 | -43.5 | 177 | -66.5 | 164.7 | 0 | 0 | 0 | 111 | K449 V450 S451 | K449-I453 HydrophobicContact CG-CD1 4.45Å; K449-I453 WeakPolarHBondContact O-CG1 3.26Å; K449-I453 PolarHBondContact O-N 2.91Å; V450-I453 PolarHBondContact O-N 3.37Å; V450-I453 VanDerWaalsContact O-N 3.13Å; S451-I453 VanDerWaalsContact C-N 3.34Å; S451-I453 PolarHBondContact O-N 2.96Å |
| 454 | M | 76.6 | Confident | 82.9 | Confident | 146 Ų | 146 | 72 Ų | 72 | 72% | 0.719 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -75.9 | -33 | -179.7 | -68.2 | -170.4 | 171.2 | 0 | 0 | 112.6 | V450 S451 A456 F477 | V450-M454 HydrophobicContact CG1-CE 4.21Å; V450-M454 HydrophobicContact CG1-SD 4.26Å; V450-M454 PolarHBondContact O-N 3.02Å; S451-M454 PolarHBondContact O-N 3.42Å; M454-A456 PolarHBondContact O-N 3.2Å; M454-F477 HydrophobicContact SD-CE1 3.97Å |
| 455 | G | 68.8 | Low | 82.6 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 18.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S451 R457 K458 | S451-G455 VanDerWaalsContact O-CA 3.3Å; S451-G455 WeakPolarHBondContact O-CA 3.14Å; S451-G455 PolarHBondContact O-N 2.79Å; G455-R457 PolarHBondContact O-N 3.14Å; G455-K458 WeakPolarHBondContact O-CB 3.22Å; G455-K458 PolarHBondContact O-N 3.3Å |
| 456 | A | 64.4 | Low | 82.5 | Confident | 90 Ų | 90 | 75 Ų | 75 | 74% | 0.744 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -6.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M454 | M454-A456 PolarHBondContact O-N 3.2Š|
| 457 | R | 69.9 | Low | 82.4 | Confident | 250 Ų | 250 | 71 Ų | 71 | 94% | 0.943 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -8.7 | 173.2 | -66.3 | -176.2 | 178.3 | 179.2 | -0.2 | 114.8 | G455 | G455-R457 PolarHBondContact O-N 3.14Š|
| 458 | K | 79.9 | Confident | 82.4 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -68.4 | 145.2 | 177 | -74.4 | -173.1 | 174.8 | -178.3 | 0 | 109.2 | G455 D462 D466 | G455-K458 WeakPolarHBondContact O-CB 3.22Å; G455-K458 PolarHBondContact O-N 3.3Å; K458-D462 HydrophobicContact CB-CB 4.16Å; K458-D462 HydrophobicContact CD-CB 4.47Å; K458-D462 HydrophobicContact CG-CB 4.49Å; K458-D466 IonicContact NZ-OD2 3.04Å; K458-D466 PolarHBondContact NZ-OD2 2.95Å |
| 459 | S | 84.9 | Confident | 82.6 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | trans | -64.6 | 160.2 | 171.8 | 69.3 | 0 | 0 | 0 | 0 | 110.1 | E461 D462 R463 | S459-E461 PolarHBondContact O-N 2.83Å; S459-D462 PolarHBondContact N-OD2 2.87Å; S459-D462 PolarHBondContact O-N 2.96Å; S459-D462 PolarHBondContact OG-N 3.36Å; S459-D462 PolarHBondContact OG-OD2 3.36Å; S459-R463 WeakPolarHBondContact O-CB 3.41Å; S459-R463 PolarHBondContact O-N 2.82Å; S459-R463 VanDerWaalsContact O-N 3.07Å | ||
| 460 | A | 84 | Confident | 82.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 34% | 0.339 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.1 | -36 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R463 A464 I651 A655 | A460-R463 PolarHBondContact O-N 3.38Å; A460-A464 WeakPolarHBondContact O-CB 3.49Å; A460-A464 PolarHBondContact O-N 3.49Å; A460-I651 HydrophobicContact CB-CG2 3.94Å; A460-A655 HydrophobicContact CB-CB 4.45Å; A460-A655 WeakPolarHBondContact O-CB 3.12Å |
| 461 | E | 85.8 | Confident | 83 | Confident | 63 Ų | 63 | 61 Ų | 61 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -51 | 176.6 | -176.3 | 179.2 | 165.1 | 0 | 0 | 112.8 | S459 R463 A464 R465 Y647 I651 | S459-E461 PolarHBondContact O-N 2.83Å; E461-R463 PolarHBondContact O-N 3.38Å; E461-A464 WeakPolarHBondContact O-CB 3.3Å; E461-A464 PolarHBondContact O-N 2.96Å; E461-R465 WeakPolarHBondContact O-CG 3.35Å; E461-R465 PolarHBondContact O-N 3.29Å; E461-R465 IonicContact OE1-CZ 3.84Å; E461-R465 IonicContact OE1-NE 3.51Å; E461-R465 PolarHBondContact OE1-NE 2.81Å; E461-R465 IonicContact OE1-NH2 3.56Å; E461-R465 PolarHBondContact OE1-NH2 3.03Å; E461-Y647 WeakPolarHBondContact CG-OH 3.11Å; E461-Y647 PolarHBondContact OE1-OH 2.76Å; E461-Y647 VanDerWaalsContact OE1-OH 3.12Å; E461-Y647 PolarHBondContact OE2-OH 3.01Å; E461-Y647 VanDerWaalsContact OE2-OH 3.05Å; E461-I651 HydrophobicContact CB-CG2 4.32Å; E461-I651 HydrophobicContact CG-CD1 4.34Å |
| 462 | D | 86.4 | Confident | 83.2 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 178.6 | -63.3 | -46.2 | 0 | 0 | 0 | 110.6 | K458 S459 R465 D466 | K458-D462 HydrophobicContact CB-CB 4.16Å; K458-D462 HydrophobicContact CD-CB 4.47Å; K458-D462 HydrophobicContact CG-CB 4.49Å; S459-D462 PolarHBondContact N-OD2 2.87Å; S459-D462 PolarHBondContact O-N 2.96Å; S459-D462 PolarHBondContact OG-N 3.36Å; S459-D462 PolarHBondContact OG-OD2 3.36Å; D462-R465 PolarHBondContact O-N 2.87Å; D462-D466 VanDerWaalsContact O-CG 3.3Å; D462-D466 PolarHBondContact O-N 3.46Å |
| 463 | R | 86 | Confident | 83.5 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 177.3 | -172.8 | 175.5 | 177.9 | 178.3 | -1.9 | 111.8 | S459 A460 E461 R465 D466 M467 A655 | S459-R463 WeakPolarHBondContact O-CB 3.41Å; S459-R463 PolarHBondContact O-N 2.82Å; S459-R463 VanDerWaalsContact O-N 3.07Å; A460-R463 PolarHBondContact O-N 3.38Å; E461-R463 PolarHBondContact O-N 3.38Å; R463-R465 VanDerWaalsContact C-N 3.29Å; R463-R465 PolarHBondContact O-N 3.17Å; R463-D466 PolarHBondContact O-N 3.48Å; R463-M467 HydrophobicContact CG-CG 4.39Å; R463-M467 WeakPolarHBondContact O-CB 3.45Å; R463-M467 WeakPolarHBondContact O-CG 3.43Å; R463-M467 PolarHBondContact O-N 2.93Å; R463-A655 HydrophobicContact CB-CB 4.29Å; R463-A655 HydrophobicContact CG-CB 4.31Å; R463-A655 PolarHBondContact NE-O 2.98Å |
| 464 | A | 87.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A460 E461 M467 L468 F585 I651 L654 A655 | A460-A464 WeakPolarHBondContact O-CB 3.49Å; A460-A464 PolarHBondContact O-N 3.49Å; E461-A464 WeakPolarHBondContact O-CB 3.3Å; E461-A464 PolarHBondContact O-N 2.96Å; A464-M467 PolarHBondContact O-N 3.46Å; A464-L468 PolarHBondContact O-N 2.91Å; A464-F585 HydrophobicContact CB-CE1 4.37Å; A464-F585 HydrophobicContact CB-CZ 4.37Å; A464-I651 HydrophobicContact CB-CD1 4.06Å; A464-I651 HydrophobicContact CB-CG2 4.38Å; A464-L654 HydrophobicContact CB-CB 3.68Å; A464-A655 HydrophobicContact CB-CB 4.27Å |
| 465 | R | 87 | Confident | 84.5 | Confident | 123 Ų | 123 | 54.3 Ų | 54.3 | 46% | 0.464 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.3 | -71 | 177.6 | -177.4 | -136.5 | 5.8 | 112.4 | E461 D462 R463 M467 L468 Y469 F585 | E461-R465 WeakPolarHBondContact O-CG 3.35Å; E461-R465 PolarHBondContact O-N 3.29Å; E461-R465 IonicContact OE1-CZ 3.84Å; E461-R465 IonicContact OE1-NE 3.51Å; E461-R465 PolarHBondContact OE1-NE 2.81Å; E461-R465 IonicContact OE1-NH2 3.56Å; E461-R465 PolarHBondContact OE1-NH2 3.03Å; D462-R465 PolarHBondContact O-N 2.87Å; R463-R465 VanDerWaalsContact C-N 3.29Å; R463-R465 PolarHBondContact O-N 3.17Å; R465-M467 VanDerWaalsContact C-N 3.34Å; R465-M467 PolarHBondContact O-N 2.9Å; R465-L468 PolarHBondContact O-N 2.88Å; R465-Y469 WeakPolarHBondContact O-CD2 3.34Å; R465-Y469 WeakPolarHBondContact O-CE2 3.28Å; R465-F585 HydrophobicContact CB-CE2 4.13Å; R465-F585 HydrophobicContact CB-CZ 4.2Å; R465-F585 HydrophobicContact CG-CD2 4.49Å; R465-F585 HydrophobicContact CG-CE2 3.6Å; R465-F585 HydrophobicContact CG-CZ 3.69Å |
| 466 | D | 87.1 | Confident | 85.3 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.7 | -66.8 | -22.2 | 0 | 0 | 0 | 111.6 | K458 D462 R463 L468 Y469 I473 | K458-D466 IonicContact NZ-OD2 3.04Å; K458-D466 PolarHBondContact NZ-OD2 2.95Å; D462-D466 VanDerWaalsContact O-CG 3.3Å; D462-D466 PolarHBondContact O-N 3.46Å; R463-D466 PolarHBondContact O-N 3.48Å; D466-L468 PolarHBondContact O-N 3.12Å; D466-Y469 CarbonylContact O-C 3.6Å; D466-Y469 PolarHBondContact O-N 3.32Å; D466-I473 HydrophobicContact CB-CD1 4.18Å; D466-I473 HydrophobicContact CB-CG1 4.23Å; D466-I473 WeakPolarHBondContact O-CD1 3.3Å |
| 467 | M | 86.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -17.6 | -177 | -71.4 | -64.7 | 130.9 | 0 | 0 | 114.2 | I448 R463 A464 R465 Y469 I473 A617 | I448-M467 HydrophobicContact CB-CE 4.4Å; I448-M467 HydrophobicContact CD1-SD 4.39Å; I448-M467 HydrophobicContact CG1-CE 4.24Å; I448-M467 HydrophobicContact CG1-SD 4.12Å; I448-M467 HydrophobicContact CG2-CE 3.83Å; I448-M467 HydrophobicContact CG2-SD 3.76Å; R463-M467 HydrophobicContact CG-CG 4.39Å; R463-M467 WeakPolarHBondContact O-CB 3.45Å; R463-M467 WeakPolarHBondContact O-CG 3.43Å; R463-M467 PolarHBondContact O-N 2.93Å; A464-M467 PolarHBondContact O-N 3.46Å; R465-M467 VanDerWaalsContact C-N 3.34Å; R465-M467 PolarHBondContact O-N 2.9Å; M467-Y469 VanDerWaalsContact C-N 3.32Å; M467-I473 HydrophobicContact CE-CD1 3.6Å; M467-I473 HydrophobicContact SD-CD1 4.22Å; M467-A617 HydrophobicContact CB-CB 3.72Å |
| 468 | L | 89.2 | Confident | 87 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -20.3 | 172.3 | -75.9 | -175.5 | 0 | 0 | 0 | 113.3 | A464 R465 D466 P470 F585 A617 Q618 L621 | A464-L468 PolarHBondContact O-N 2.91Å; R465-L468 PolarHBondContact O-N 2.88Å; D466-L468 PolarHBondContact O-N 3.12Å; L468-P470 VanDerWaalsContact C-CD 3.48Å; L468-P470 WeakPolarHBondContact O-CD 3.21Å; L468-F585 HydrophobicContact CD1-CD1 4.4Å; L468-F585 HydrophobicContact CD1-CD2 3.55Å; L468-F585 HydrophobicContact CD1-CE1 4.02Å; L468-F585 HydrophobicContact CD1-CE2 3.09Å; L468-F585 HydrophobicContact CD1-CG 4.19Å; L468-F585 HydrophobicContact CD1-CZ 3.33Å; L468-F585 HydrophobicContact CG-CE2 4.08Å; L468-F585 HydrophobicContact CG-CZ 4Å; L468-A617 HydrophobicContact CD2-CB 3.57Å; L468-A617 HydrophobicContact CG-CB 4.01Å; L468-Q618 HydrophobicContact CD2-CG 4.26Å; L468-Q618 PolarHBondContact O-NE2 3.32Å; L468-L621 HydrophobicContact CD1-CD2 3.86Å; L468-L621 HydrophobicContact CD2-CB 4.38Å; L468-L621 HydrophobicContact CD2-CD2 3.75Å |
| 469 | Y | 91.4 | Very high | 87.1 | Confident | 29 Ų | 29 | 50 Ų | 50 | 11% | 0.114 | 24% | 0.241 | C | C | . | . | trans | -124.6 | 69 | -175.5 | -45.5 | -69.3 | 0 | 0 | 0 | 111.9 | R465 D466 M467 E471 R472 I473 A511 D582 | R465-Y469 WeakPolarHBondContact O-CD2 3.34Å; R465-Y469 WeakPolarHBondContact O-CE2 3.28Å; D466-Y469 CarbonylContact O-C 3.6Å; D466-Y469 PolarHBondContact O-N 3.32Å; M467-Y469 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 2.85Å; Y469-E471 VanDerWaalsContact O-N 3.14Å; Y469-R472 WeakPolarHBondContact O-CB 3.2Å; Y469-R472 PolarHBondContact O-N 3.34Å; Y469-I473 PolarHBondContact O-N 3.46Å; Y469-A511 HydrophobicContact CD1-CB 4.29Å; Y469-A511 HydrophobicContact CE1-CB 3.34Å; Y469-A511 WeakPolarHBondContact OH-CB 3.3Å; Y469-D582 HydrophobicContact CD1-CB 4.21Å; Y469-D582 HydrophobicContact CE1-CB 3.88Å | ||
| 470 | P | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.2 | -31 | -177.3 | -27.6 | 37.9 | 0 | 0 | 0 | 114.6 | Y444 L468 R472 I473 Y474 L613 T616 | Y444-P470 HydrophobicContact CD1-CB 4.24Å; Y444-P470 HydrophobicContact CD2-CB 3.62Å; Y444-P470 HydrophobicContact CE2-CB 3.98Å; Y444-P470 HydrophobicContact CG-CB 3.79Å; L468-P470 VanDerWaalsContact C-CD 3.48Å; L468-P470 WeakPolarHBondContact O-CD 3.21Å; P470-R472 PolarHBondContact O-N 3.02Å; P470-I473 PolarHBondContact O-N 3.4Å; P470-Y474 PolarHBondContact O-N 2.67Å; P470-L613 HydrophobicContact CB-CD1 4.35Å; P470-L613 HydrophobicContact CG-CD1 4.03Å; P470-T616 HydrophobicContact CG-CG2 4.48Å |
| 471 | E | 90.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 174.8 | 65.2 | -78.6 | -174.5 | 0 | 0 | 112.5 | Y444 Y469 Y474 Q475 W484 R490 | Y444-E471 WeakPolarHBondContact OH-CA 3.29Å; Y444-E471 WeakPolarHBondContact OH-CB 3.36Å; Y469-E471 PolarHBondContact O-N 2.85Å; Y469-E471 VanDerWaalsContact O-N 3.14Å; E471-Y474 PolarHBondContact O-N 3Å; E471-Q475 WeakPolarHBondContact O-CG 3.44Å; E471-Q475 PolarHBondContact O-N 3.41Å; E471-W484 HydrophobicContact CB-CB 4.48Å; E471-W484 HydrophobicContact CB-CD2 3.51Å; E471-W484 HydrophobicContact CB-CE3 3.69Å; E471-W484 HydrophobicContact CB-CG 3.88Å; E471-W484 HydrophobicContact CB-CH2 4.46Å; E471-W484 HydrophobicContact CB-CZ2 4.32Å; E471-W484 HydrophobicContact CB-CZ3 4.16Å; E471-W484 HydrophobicContact CG-CD2 4.34Å; E471-W484 HydrophobicContact CG-CH2 4.45Å; E471-W484 HydrophobicContact CG-CZ2 4.26Å; E471-R490 IonicContact OE2-CZ 2.83Å; E471-R490 IonicContact OE2-NH1 2.82Å; E471-R490 IonicContact OE2-NH2 3.69Å; E471-R490 PolarHBondContact OE2-NH2 3.26Å |
| 472 | R | 88 | Confident | 86.1 | Confident | 110 Ų | 110 | 56.6 Ų | 56.6 | 42% | 0.415 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75.9 | -41.5 | 178.6 | -66 | -166.3 | 67.5 | -157.7 | -4.2 | 111.9 | Y469 P470 Y474 Q475 E476 | Y469-R472 WeakPolarHBondContact O-CB 3.2Å; Y469-R472 PolarHBondContact O-N 3.34Å; P470-R472 PolarHBondContact O-N 3.02Å; R472-Y474 PolarHBondContact O-N 3.05Å; R472-Q475 PolarHBondContact O-N 3.48Å; R472-Q475 VanDerWaalsContact O-N 3.1Å; R472-E476 PolarHBondContact O-N 2.93Å |
| 473 | I | 87.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.1 | -42.1 | 173.7 | -60.1 | 178.1 | 0 | 0 | 0 | 109.4 | A447 I448 D466 M467 Y469 P470 E476 F477 | A447-I473 HydrophobicContact CB-CG2 3.99Å; I448-I473 HydrophobicContact CG1-CD1 3.93Å; D466-I473 HydrophobicContact CB-CD1 4.18Å; D466-I473 HydrophobicContact CB-CG1 4.23Å; D466-I473 WeakPolarHBondContact O-CD1 3.3Å; M467-I473 HydrophobicContact CE-CD1 3.6Å; M467-I473 HydrophobicContact SD-CD1 4.22Å; Y469-I473 PolarHBondContact O-N 3.46Å; P470-I473 PolarHBondContact O-N 3.4Å; I473-E476 PolarHBondContact O-N 3.31Å; I473-F477 HydrophobicContact CG2-CE2 3.96Å; I473-F477 WeakPolarHBondContact O-CD2 3.24Å; I473-F477 WeakPolarHBondContact O-CE2 3.33Å |
| 474 | Y | 89.6 | Confident | 86.4 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.5 | 179.6 | -98.9 | 0 | 0 | 0 | 113 | Q443 Y444 A447 P470 E471 R472 E476 F477 E478 A482 W484 F487 | Q443-Y474 HydrophobicContact CB-CD2 4.22Å; Q443-Y474 HydrophobicContact CB-CE2 3.93Å; Q443-Y474 HydrophobicContact CG-CE2 4.42Å; Y444-Y474 HydrophobicContact CD1-CD2 4.46Å; Y444-Y474 HydrophobicContact CD1-CG 4.29Å; Y444-Y474 HydrophobicContact CE1-CG 4.08Å; A447-Y474 HydrophobicContact CB-CD2 4.4Å; P470-Y474 PolarHBondContact O-N 2.67Å; E471-Y474 PolarHBondContact O-N 3Å; R472-Y474 PolarHBondContact O-N 3.05Å; Y474-E476 VanDerWaalsContact C-N 3.31Å; Y474-E476 PolarHBondContact O-N 3.28Å; Y474-F477 PolarHBondContact O-N 2.94Å; Y474-F477 VanDerWaalsContact O-N 3.16Å; Y474-E478 HydrophobicContact CD2-CG 4.22Å; Y474-E478 HydrophobicContact CE1-CB 4.11Å; Y474-E478 HydrophobicContact CE1-CG 4.08Å; Y474-E478 HydrophobicContact CE2-CG 3.71Å; Y474-E478 PolarHBondContact O-N 2.63Å; Y474-A482 HydrophobicContact CD1-CB 4.14Å; Y474-A482 HydrophobicContact CE1-CB 3.69Å; Y474-W484 HydrophobicContact CD1-CB 3.78Å; Y474-W484 HydrophobicContact CE1-CB 4.13Å; Y474-F487 HydrophobicContact CD1-CE1 4.36Å; Y474-F487 HydrophobicContact CD1-CZ 4.05Å; Y474-F487 HydrophobicContact CD2-CZ 4.01Å; Y474-F487 AromaticContact CE1-CE1 3.76Å; Y474-F487 HydrophobicContact CE1-CE1 3.76Å; Y474-F487 AromaticContact CE1-CZ 3.91Å; Y474-F487 HydrophobicContact CE1-CZ 3.91Å; Y474-F487 HydrophobicContact CE2-CE1 4.03Å; Y474-F487 AromaticContact CE2-CZ 3.9Å; Y474-F487 HydrophobicContact CE2-CZ 3.9Å; Y474-F487 HydrophobicContact CG-CZ 4.08Å; Y474-F487 AromaticContact CZ-CE1 3.59Å; Y474-F487 AromaticContact CZ-CZ 3.84Å |
| 475 | Q | 88.8 | Confident | 86.5 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -31 | 177.4 | -72.9 | 174.6 | -52.9 | 0 | 0 | 113.4 | E471 R472 F477 G479 D480 A482 | E471-Q475 WeakPolarHBondContact O-CG 3.44Å; E471-Q475 PolarHBondContact O-N 3.41Å; R472-Q475 PolarHBondContact O-N 3.48Å; R472-Q475 VanDerWaalsContact O-N 3.1Å; Q475-F477 PolarHBondContact O-N 2.9Å; Q475-G479 CarbonylContact O-C 3.48Å; Q475-G479 WeakPolarHBondContact O-CA 3.49Å; Q475-G479 PolarHBondContact O-N 3.49Å; Q475-D480 PolarHBondContact NE2-O 2.99Å; Q475-A482 HydrophobicContact CG-CB 4.48Å |
| 476 | E | 85.8 | Confident | 86.6 | Confident | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.2 | -28.8 | 174.2 | -75.6 | -175.4 | 171.4 | 0 | 0 | 112.6 | R472 I473 Y474 | R472-E476 PolarHBondContact O-N 2.93Å; I473-E476 PolarHBondContact O-N 3.31Å; Y474-E476 VanDerWaalsContact C-N 3.31Å; Y474-E476 PolarHBondContact O-N 3.28Å |
| 477 | F | 84.6 | Confident | 86.9 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 35% | 0.346 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -98.8 | -38.6 | -179.7 | -61.2 | -70.5 | 0 | 0 | 0 | 113.7 | A447 V450 M454 I473 Y474 Q475 | A447-F477 HydrophobicContact CB-CD2 4.17Å; A447-F477 HydrophobicContact CB-CE2 4.47Å; V450-F477 HydrophobicContact CB-CZ 4.3Å; V450-F477 HydrophobicContact CG1-CD1 4.22Å; V450-F477 HydrophobicContact CG1-CE1 3.65Å; V450-F477 HydrophobicContact CG1-CZ 3.86Å; M454-F477 HydrophobicContact SD-CE1 3.97Å; I473-F477 HydrophobicContact CG2-CE2 3.96Å; I473-F477 WeakPolarHBondContact O-CD2 3.24Å; I473-F477 WeakPolarHBondContact O-CE2 3.33Å; Y474-F477 PolarHBondContact O-N 2.94Å; Y474-F477 VanDerWaalsContact O-N 3.16Å; Q475-F477 PolarHBondContact O-N 2.9Å |
| 478 | E | 84.5 | Confident | 87.3 | Confident | 128 Ų | 128 | 50 Ų | 50 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -97 | -6.5 | -174.3 | -64.2 | -70 | 154.5 | 0 | 0 | 113 | Y474 A482 | Y474-E478 HydrophobicContact CD2-CG 4.22Å; Y474-E478 HydrophobicContact CE1-CB 4.11Å; Y474-E478 HydrophobicContact CE1-CG 4.08Å; Y474-E478 HydrophobicContact CE2-CG 3.71Å; Y474-E478 PolarHBondContact O-N 2.63Å; E478-A482 HydrophobicContact CB-CB 3.52Å |
| 479 | G | 82.8 | Confident | 87.6 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | trans | 92.2 | 164.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q475 N481 A482 | Q475-G479 CarbonylContact O-C 3.48Å; Q475-G479 WeakPolarHBondContact O-CA 3.49Å; Q475-G479 PolarHBondContact O-N 3.49Å; G479-N481 PolarHBondContact O-N 3.21Å; G479-A482 WeakPolarHBondContact O-CB 3.32Å; G479-A482 PolarHBondContact O-N 3.06Å | ||
| 480 | D | 77 | Confident | 87.8 | Confident | 131 Ų | 131 | 49.8 Ų | 49.8 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.6 | -175.4 | -63.5 | -31.7 | 0 | 0 | 0 | 113.5 | Q475 A482 | Q475-D480 PolarHBondContact NE2-O 2.99Å; D480-A482 PolarHBondContact O-N 2.73Å |
| 481 | N | 76.2 | Confident | 88 | Confident | 154 Ų | 154 | 49.9 Ų | 49.9 | 82% | 0.824 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.2 | 177.1 | -68.6 | -12 | 0 | 0 | 0 | 113.5 | G479 T483 | G479-N481 PolarHBondContact O-N 3.21Å; N481-T483 PolarHBondContact O-N 3.11Å |
| 482 | A | 79.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | trans | -66.5 | 125 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y474 Q475 E478 G479 D480 W484 | Y474-A482 HydrophobicContact CD1-CB 4.14Å; Y474-A482 HydrophobicContact CE1-CB 3.69Å; Q475-A482 HydrophobicContact CG-CB 4.48Å; E478-A482 HydrophobicContact CB-CB 3.52Å; G479-A482 WeakPolarHBondContact O-CB 3.32Å; G479-A482 PolarHBondContact O-N 3.06Å; D480-A482 PolarHBondContact O-N 2.73Å; A482-W484 PolarHBondContact O-N 2.93Å | ||
| 483 | T | 86.6 | Confident | 88.6 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | trans | -81.9 | 59.2 | -173.4 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | N481 W485 N486 | N481-T483 PolarHBondContact O-N 3.11Å; T483-W485 HydrophobicContact CG2-CH2 4.12Å; T483-W485 HydrophobicContact CG2-CZ2 3.57Å; T483-W485 PolarHBondContact O-N 3.1Å; T483-N486 WeakPolarHBondContact CB-ND2 3.4Å; T483-N486 WeakPolarHBondContact O-CB 3.36Å; T483-N486 PolarHBondContact O-N 3.36Å; T483-N486 PolarHBondContact OG1-ND2 3.45Å | ||
| 484 | W | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -56.6 | -33.3 | -176.2 | 62 | -97.2 | 0 | 0 | 0 | 113.1 | Y444 E471 Y474 A482 N486 F487 D488 V491 T515 Q518 L519 F581 | Y444-W484 HydrophobicContact CE1-CB 4.42Å; Y444-W484 VanDerWaalsContact OH-CE3 3.28Å; E471-W484 HydrophobicContact CB-CB 4.48Å; E471-W484 HydrophobicContact CB-CD2 3.51Å; E471-W484 HydrophobicContact CB-CE3 3.69Å; E471-W484 HydrophobicContact CB-CG 3.88Å; E471-W484 HydrophobicContact CB-CH2 4.46Å; E471-W484 HydrophobicContact CB-CZ2 4.32Å; E471-W484 HydrophobicContact CB-CZ3 4.16Å; E471-W484 HydrophobicContact CG-CD2 4.34Å; E471-W484 HydrophobicContact CG-CH2 4.45Å; E471-W484 HydrophobicContact CG-CZ2 4.26Å; Y474-W484 HydrophobicContact CD1-CB 3.78Å; Y474-W484 HydrophobicContact CE1-CB 4.13Å; A482-W484 PolarHBondContact O-N 2.93Å; W484-N486 PolarHBondContact O-N 2.89Å; W484-N486 VanDerWaalsContact O-N 3.11Å; W484-F487 HydrophobicContact CB-CE1 4.38Å; W484-F487 HydrophobicContact CB-CZ 4.14Å; W484-F487 PolarHBondContact O-N 3.15Å; W484-D488 HydrophobicContact CE3-CB 3.88Å; W484-D488 HydrophobicContact CZ3-CB 4.08Å; W484-D488 WeakPolarHBondContact CZ3-OD2 3.41Å; W484-D488 PolarHBondContact O-N 3.48Å; W484-V491 HydrophobicContact CH2-CG2 4.29Å; W484-V491 HydrophobicContact CZ3-CG2 3.75Å; W484-T515 HydrophobicContact CH2-CG2 3.97Å; W484-T515 HydrophobicContact CZ2-CG2 3.99Å; W484-Q518 HydrophobicContact CZ2-CB 4.28Å; W484-L519 HydrophobicContact CH2-CD2 4.24Å; W484-F581 AromaticContact CH2-CE1 4Å; W484-F581 HydrophobicContact CH2-CE1 4Å; W484-F581 AromaticContact CH2-CZ 3.87Å; W484-F581 HydrophobicContact CH2-CZ 3.87Å; W484-F581 HydrophobicContact CZ3-CE1 4.29Å; W484-F581 AromaticContact CZ3-CZ 3.92Å; W484-F581 HydrophobicContact CZ3-CZ 3.92Å |
| 485 | W | 89.9 | Confident | 89.3 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 10% | 0.095 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.8 | -18.4 | 177 | 56 | 81.2 | 0 | 0 | 0 | 114.2 | T483 F487 V491 Q518 V522 | T483-W485 HydrophobicContact CG2-CH2 4.12Å; T483-W485 HydrophobicContact CG2-CZ2 3.57Å; T483-W485 PolarHBondContact O-N 3.1Å; W485-F487 VanDerWaalsContact C-N 3.28Å; W485-F487 PolarHBondContact O-N 3.15Å; W485-V491 HydrophobicContact CB-CG1 4.29Å; W485-V491 HydrophobicContact CB-CG2 4.01Å; W485-Q518 HydrophobicContact CE3-CB 3.95Å; W485-Q518 HydrophobicContact CE3-CG 4.24Å; W485-Q518 HydrophobicContact CH2-CG 4.3Å; W485-Q518 HydrophobicContact CZ3-CB 3.88Å; W485-Q518 HydrophobicContact CZ3-CG 3.65Å; W485-V522 HydrophobicContact CB-CG2 3.89Å; W485-V522 HydrophobicContact CD2-CG2 3.75Å; W485-V522 HydrophobicContact CG-CG2 3.33Å |
| 486 | N | 89.6 | Confident | 89.6 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -69.9 | -24.3 | 179.2 | -79.3 | -28.3 | 0 | 0 | 0 | 113.5 | T483 W484 R526 | T483-N486 WeakPolarHBondContact CB-ND2 3.4Å; T483-N486 WeakPolarHBondContact O-CB 3.36Å; T483-N486 PolarHBondContact O-N 3.36Å; T483-N486 PolarHBondContact OG1-ND2 3.45Å; W484-N486 PolarHBondContact O-N 2.89Å; W484-N486 VanDerWaalsContact O-N 3.11Å; N486-R526 PolarHBondContact OD1-NH2 3.28Å |
| 487 | F | 92.8 | Very high | 90.1 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 20% | 0.197 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -5.5 | -179 | 64 | -103 | 0 | 0 | 0 | 113 | P441 Q443 Y444 Y474 W484 W485 P489 | P441-F487 HydrophobicContact CB-CD2 3.68Å; P441-F487 HydrophobicContact CB-CE2 4.08Å; P441-F487 HydrophobicContact CG-CD2 4.01Å; P441-F487 HydrophobicContact CG-CE2 4.45Å; Q443-F487 HydrophobicContact CB-CD2 4.13Å; Q443-F487 HydrophobicContact CB-CE1 4.05Å; Q443-F487 HydrophobicContact CB-CE2 3.64Å; Q443-F487 HydrophobicContact CB-CZ 3.59Å; Q443-F487 HydrophobicContact CG-CD1 4.13Å; Q443-F487 HydrophobicContact CG-CD2 4.29Å; Q443-F487 HydrophobicContact CG-CE1 4.01Å; Q443-F487 HydrophobicContact CG-CE2 4.21Å; Q443-F487 HydrophobicContact CG-CG 4.26Å; Q443-F487 HydrophobicContact CG-CZ 4.06Å; Y444-F487 AromaticContact CD1-CE2 3.71Å; Y444-F487 HydrophobicContact CD1-CE2 3.71Å; Y444-F487 HydrophobicContact CD1-CZ 4.01Å; Y444-F487 HydrophobicContact CD2-CE2 4.35Å; Y444-F487 AromaticContact CE1-CE2 3.42Å; Y444-F487 HydrophobicContact CE1-CE2 3.42Å; Y444-F487 VanDerWaalsContact CE1-CE2 3.42Å; Y444-F487 AromaticContact CE1-CZ 3.57Å; Y444-F487 HydrophobicContact CE1-CZ 3.57Å; Y444-F487 HydrophobicContact CE2-CE2 4.07Å; Y444-F487 HydrophobicContact CG-CE2 4.18Å; Y444-F487 AromaticContact CZ-CE2 3.6Å; Y474-F487 HydrophobicContact CD1-CE1 4.36Å; Y474-F487 HydrophobicContact CD1-CZ 4.05Å; Y474-F487 HydrophobicContact CD2-CZ 4.01Å; Y474-F487 AromaticContact CE1-CE1 3.76Å; Y474-F487 HydrophobicContact CE1-CE1 3.76Å; Y474-F487 AromaticContact CE1-CZ 3.91Å; Y474-F487 HydrophobicContact CE1-CZ 3.91Å; Y474-F487 HydrophobicContact CE2-CE1 4.03Å; Y474-F487 AromaticContact CE2-CZ 3.9Å; Y474-F487 HydrophobicContact CE2-CZ 3.9Å; Y474-F487 HydrophobicContact CG-CZ 4.08Å; Y474-F487 AromaticContact CZ-CE1 3.59Å; Y474-F487 AromaticContact CZ-CZ 3.84Å; W484-F487 HydrophobicContact CB-CE1 4.38Å; W484-F487 HydrophobicContact CB-CZ 4.14Å; W484-F487 PolarHBondContact O-N 3.15Å; W485-F487 VanDerWaalsContact C-N 3.28Å; W485-F487 PolarHBondContact O-N 3.15Å; F487-P489 WeakPolarHBondContact O-CD 3.29Å |
| 488 | D | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -75 | 114.8 | 179.3 | -169.8 | -29.1 | 0 | 0 | 0 | 110.6 | Y444 W484 R490 V491 | Y444-D488 PolarHBondContact OH-OD2 2.71Å; W484-D488 HydrophobicContact CE3-CB 3.88Å; W484-D488 HydrophobicContact CZ3-CB 4.08Å; W484-D488 WeakPolarHBondContact CZ3-OD2 3.41Å; W484-D488 PolarHBondContact O-N 3.48Å; D488-R490 PolarHBondContact O-N 3.31Å; D488-R490 WeakPolarHBondContact OD1-CB 3.46Å; D488-R490 VanDerWaalsContact OD1-CG 3.31Å; D488-R490 WeakPolarHBondContact OD1-CG 3.25Å; D488-R490 PolarHBondContact OD1-N 3.42Å; D488-R490 IonicContact OD1-NE 3.79Å; D488-R490 PolarHBondContact OD1-NE 3.3Å; D488-R490 VanDerWaalsContact OD1-NE 3.16Å; D488-R490 IonicContact OD2-CZ 3.94Å; D488-R490 VanDerWaalsContact OD2-CZ 3.24Å; D488-R490 IonicContact OD2-NE 3.52Å; D488-R490 PolarHBondContact OD2-NE 2.98Å; D488-R490 IonicContact OD2-NH2 3.85Å; D488-R490 PolarHBondContact OD2-NH2 3.38Å; D488-V491 HydrophobicContact CB-CG2 4.02Å; D488-V491 PolarHBondContact O-N 3.01Å; D488-V491 VanDerWaalsContact O-N 3.13Å | ||
| 489 | P | 96.1 | Very high | 91.1 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 17% | 0.169 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -19.3 | -178 | 29.1 | -37.1 | 0 | 0 | 0 | 113.1 | L438 P439 P441 F487 V491 W493 L613 | L438-P489 HydrophobicContact CB-CB 4.28Å; L438-P489 HydrophobicContact CB-CG 3.98Å; L438-P489 HydrophobicContact CD1-CB 4.5Å; L438-P489 HydrophobicContact CD2-CB 4.3Å; P439-P489 WeakPolarHBondContact O-CG 3.24Å; P441-P489 VanDerWaalsContact CG-CD 3.49Å; P441-P489 HydrophobicContact CG-CG 4.3Å; F487-P489 WeakPolarHBondContact O-CD 3.29Å; P489-V491 VanDerWaalsContact C-N 3.29Å; P489-W493 WeakPolarHBondContact O-CB 3.46Å; P489-W493 PolarHBondContact O-N 2.89Å; P489-L613 HydrophobicContact CG-CD2 3.76Å |
| 490 | R | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.7 | -60 | 177.1 | -70.6 | 174.8 | -5.3 | 110.9 | L438 E471 D488 L494 F581 P611 L613 | L438-R490 HydrophobicContact CD1-CB 4.14Å; L438-R490 HydrophobicContact CD1-CG 3.65Å; E471-R490 IonicContact OE2-CZ 2.83Å; E471-R490 IonicContact OE2-NH1 2.82Å; E471-R490 IonicContact OE2-NH2 3.69Å; E471-R490 PolarHBondContact OE2-NH2 3.26Å; D488-R490 PolarHBondContact O-N 3.31Å; D488-R490 WeakPolarHBondContact OD1-CB 3.46Å; D488-R490 VanDerWaalsContact OD1-CG 3.31Å; D488-R490 WeakPolarHBondContact OD1-CG 3.25Å; D488-R490 PolarHBondContact OD1-N 3.42Å; D488-R490 IonicContact OD1-NE 3.79Å; D488-R490 PolarHBondContact OD1-NE 3.3Å; D488-R490 VanDerWaalsContact OD1-NE 3.16Å; D488-R490 IonicContact OD2-CZ 3.94Å; D488-R490 VanDerWaalsContact OD2-CZ 3.24Å; D488-R490 IonicContact OD2-NE 3.52Å; D488-R490 PolarHBondContact OD2-NE 2.98Å; D488-R490 IonicContact OD2-NH2 3.85Å; D488-R490 PolarHBondContact OD2-NH2 3.38Å; R490-L494 WeakPolarHBondContact O-CB 3.19Å; R490-L494 PolarHBondContact O-N 2.79Å; R490-F581 HydrophobicContact CB-CE2 3.71Å; R490-F581 HydrophobicContact CB-CZ 4.02Å; R490-F581 PolarHBondContact NH1-O 3.2Å; R490-P611 HydrophobicContact CB-CB 4.4Å; R490-P611 HydrophobicContact CG-CB 4.19Å; R490-L613 HydrophobicContact CG-CD2 4.23Å; R490-L613 HydrophobicContact CG-CG 4.43Å |
| 491 | V | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.8 | -45.7 | 179.7 | -178 | 0 | 0 | 0 | 0 | 110.8 | W484 W485 D488 P489 W493 L494 M495 L519 V522 F581 | W484-V491 HydrophobicContact CH2-CG2 4.29Å; W484-V491 HydrophobicContact CZ3-CG2 3.75Å; W485-V491 HydrophobicContact CB-CG1 4.29Å; W485-V491 HydrophobicContact CB-CG2 4.01Å; D488-V491 HydrophobicContact CB-CG2 4.02Å; D488-V491 PolarHBondContact O-N 3.01Å; D488-V491 VanDerWaalsContact O-N 3.13Å; P489-V491 VanDerWaalsContact C-N 3.29Å; V491-W493 VanDerWaalsContact C-N 3.31Å; V491-W493 PolarHBondContact O-N 2.96Å; V491-L494 PolarHBondContact O-N 3.01Å; V491-M495 HydrophobicContact CG1-SD 4.19Å; V491-M495 WeakPolarHBondContact O-CB 3.26Å; V491-M495 WeakPolarHBondContact O-CG 3.44Å; V491-M495 PolarHBondContact O-N 3.36Å; V491-L519 HydrophobicContact CG1-CD2 4.34Å; V491-L519 HydrophobicContact CG2-CD2 3.74Å; V491-V522 HydrophobicContact CG1-CG1 3.88Å; V491-F581 HydrophobicContact CG2-CE2 4.39Å; V491-F581 HydrophobicContact CG2-CZ 4.25Å |
| 492 | E | 94.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.9 | -69 | -65.2 | 154.2 | 0 | 0 | 111.7 | G496 R526 | E492-G496 PolarHBondContact O-N 2.94Å; E492-R526 IonicContact OE1-CZ 2.94Å; E492-R526 IonicContact OE1-NH1 2.99Å; E492-R526 PolarHBondContact OE1-NH1 3.01Å |
| 493 | W | 96.7 | Very high | 93.5 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 173.4 | 170.5 | 80.9 | 0 | 0 | 0 | 111.9 | I436 L438 P489 V491 M495 G496 Y497 V579 H609 P611 | I436-W493 HydrophobicContact CD1-CH2 3.83Å; I436-W493 HydrophobicContact CD1-CZ2 3.4Å; I436-W493 VanDerWaalsContact CD1-CZ2 3.4Å; I436-W493 HydrophobicContact CG1-CD2 4.47Å; I436-W493 HydrophobicContact CG1-CZ2 3.72Å; I436-W493 HydrophobicContact CG2-CD2 4.16Å; I436-W493 HydrophobicContact CG2-CG 3.96Å; L438-W493 HydrophobicContact CD1-CB 4.4Å; P489-W493 WeakPolarHBondContact O-CB 3.46Å; P489-W493 PolarHBondContact O-N 2.89Å; V491-W493 VanDerWaalsContact C-N 3.31Å; V491-W493 PolarHBondContact O-N 2.96Å; W493-M495 VanDerWaalsContact C-N 3.34Å; W493-M495 PolarHBondContact O-N 3.29Å; W493-G496 PolarHBondContact O-N 3.46Å; W493-Y497 HydrophobicContact CZ2-CD2 4.06Å; W493-Y497 HydrophobicContact CZ2-CG 4.22Å; W493-Y497 WeakPolarHBondContact O-CB 3.35Å; W493-Y497 PolarHBondContact O-N 3.12Å; W493-V579 HydrophobicContact CH2-CG1 4.13Å; W493-V579 HydrophobicContact CH2-CG2 4.1Å; W493-V579 HydrophobicContact CZ3-CG1 3.74Å; W493-V579 HydrophobicContact CZ3-CG2 4.35Å; W493-H609 HydrophobicContact CH2-CB 3.63Å; W493-H609 HydrophobicContact CZ2-CB 4.1Å; W493-P611 HydrophobicContact CE3-CB 3.9Å; W493-P611 HydrophobicContact CE3-CG 4.03Å; W493-P611 HydrophobicContact CZ3-CB 4.09Å; W493-P611 HydrophobicContact CZ3-CG 3.78Å |
| 494 | L | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | -179.7 | 178.4 | 60.8 | 0 | 0 | 0 | 111.2 | R490 V491 Y497 L498 V508 V579 | R490-L494 WeakPolarHBondContact O-CB 3.19Å; R490-L494 PolarHBondContact O-N 2.79Å; V491-L494 PolarHBondContact O-N 3.01Å; L494-Y497 PolarHBondContact O-N 3.14Å; L494-L498 HydrophobicContact CD1-CD1 4Å; L494-L498 HydrophobicContact CD1-CG 4.14Å; L494-L498 HydrophobicContact CG-CD1 4Å; L494-L498 WeakPolarHBondContact O-CB 3.5Å; L494-L498 VanDerWaalsContact O-CG 3.28Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 3.23Å; L494-V508 HydrophobicContact CD1-CG2 4.11Å; L494-V508 HydrophobicContact CD2-CG1 4.46Å; L494-V508 HydrophobicContact CD2-CG2 4.41Å; L494-V579 HydrophobicContact CD1-CG1 4.39Å; L494-V579 HydrophobicContact CD1-CG2 4.16Å |
| 495 | M | 95 | Very high | 93.9 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 4% | 0.044 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 173.5 | -78.1 | 172.5 | 38.3 | 0 | 0 | 111.9 | V491 W493 Y497 L498 T499 V522 L523 R526 E527 | V491-M495 HydrophobicContact CG1-SD 4.19Å; V491-M495 WeakPolarHBondContact O-CB 3.26Å; V491-M495 WeakPolarHBondContact O-CG 3.44Å; V491-M495 PolarHBondContact O-N 3.36Å; W493-M495 VanDerWaalsContact C-N 3.34Å; W493-M495 PolarHBondContact O-N 3.29Å; M495-Y497 VanDerWaalsContact C-N 3.3Å; M495-Y497 PolarHBondContact O-N 3.41Å; M495-L498 PolarHBondContact O-N 3.49Å; M495-T499 WeakPolarHBondContact O-CB 3.48Å; M495-T499 VanDerWaalsContact O-CG2 3.3Å; M495-T499 WeakPolarHBondContact O-CG2 3.37Å; M495-T499 PolarHBondContact O-N 2.95Å; M495-T499 PolarHBondContact O-OG1 3.16Å; M495-V522 HydrophobicContact SD-CG1 3.93Å; M495-L523 HydrophobicContact CB-CD2 4.48Å; M495-L523 HydrophobicContact CG-CD2 3.47Å; M495-L523 VanDerWaalsContact CG-CD2 3.47Å; M495-R526 HydrophobicContact CE-CB 4.2Å; M495-E527 HydrophobicContact CE-CG 3.75Å |
| 496 | G | 95.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E492 W493 T499 S500 | E492-G496 PolarHBondContact O-N 2.94Å; W493-G496 PolarHBondContact O-N 3.46Å; G496-T499 WeakPolarHBondContact CA-OG1 3.49Å; G496-T499 PolarHBondContact O-OG1 3.27Å; G496-T499 VanDerWaalsContact O-OG1 3.04Å; G496-S500 WeakPolarHBondContact O-CB 3.48Å; G496-S500 PolarHBondContact O-N 3.06Å; G496-S500 VanDerWaalsContact O-N 3.14Å; G496-S500 PolarHBondContact O-OG 2.78Å |
| 497 | Y | 96.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -50.2 | 176.8 | -174.8 | -89.2 | 0 | 0 | 0 | 111.4 | W493 L494 M495 T499 S500 H501 Q504 V506 H577 H609 | W493-Y497 HydrophobicContact CZ2-CD2 4.06Å; W493-Y497 HydrophobicContact CZ2-CG 4.22Å; W493-Y497 WeakPolarHBondContact O-CB 3.35Å; W493-Y497 PolarHBondContact O-N 3.12Å; L494-Y497 PolarHBondContact O-N 3.14Å; M495-Y497 VanDerWaalsContact C-N 3.3Å; M495-Y497 PolarHBondContact O-N 3.41Å; Y497-T499 PolarHBondContact O-N 2.9Å; Y497-S500 WeakPolarHBondContact CA-OG 3.2Å; Y497-S500 PolarHBondContact O-N 2.86Å; Y497-S500 PolarHBondContact O-OG 3.26Å; Y497-H501 AromaticContact CD2-CE1 4Å; Y497-H501 AromaticContact CD2-ND1 3.88Å; Y497-H501 HydrophobicContact CE1-CB 4.37Å; Y497-H501 AromaticContact CE2-CE1 3.69Å; Y497-H501 AromaticContact CE2-ND1 3.75Å; Y497-H501 AromaticContact CZ-ND1 3.84Å; Y497-H501 PolarHBondContact O-N 3.45Å; Y497-H501 PolarHBondContact O-ND1 3.01Å; Y497-Q504 PolarHBondContact OH-OE1 3.42Å; Y497-V506 HydrophobicContact CE1-CG2 4.08Å; Y497-H577 AromaticContact CZ-ND1 3.98Å; Y497-H577 PolarHBondContact OH-CE1 3.26Å; Y497-H577 VanDerWaalsContact OH-CE1 3.25Å; Y497-H577 PolarHBondContact OH-ND1 3.31Å; Y497-H609 AromaticContact CE2-CE1 3.7Å; Y497-H609 AromaticContact CZ-CE1 3.83Å; Y497-H609 AromaticContact CZ-NE2 3.85Å; Y497-H609 PolarHBondContact OH-NE2 3.18Å |
| 498 | L | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 179.6 | -68.5 | 171.4 | 0 | 0 | 0 | 112.1 | L494 M495 S500 H501 R502 V506 L523 I529 Q558 V559 | L494-L498 HydrophobicContact CD1-CD1 4Å; L494-L498 HydrophobicContact CD1-CG 4.14Å; L494-L498 HydrophobicContact CG-CD1 4Å; L494-L498 WeakPolarHBondContact O-CB 3.5Å; L494-L498 VanDerWaalsContact O-CG 3.28Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 3.23Å; M495-L498 PolarHBondContact O-N 3.49Å; L498-S500 VanDerWaalsContact C-N 3.3Å; L498-S500 PolarHBondContact O-N 3.32Å; L498-H501 CarbonylContact O-C 3.4Å; L498-H501 PolarHBondContact O-N 2.88Å; L498-R502 PolarHBondContact O-N 2.65Å; L498-V506 HydrophobicContact CD2-CB 3.88Å; L498-V506 HydrophobicContact CD2-CG1 4.31Å; L498-V506 HydrophobicContact CD2-CG2 3.73Å; L498-L523 HydrophobicContact CD1-CD1 3.75Å; L498-L523 HydrophobicContact CD1-CD2 3.94Å; L498-I529 HydrophobicContact CB-CD1 3.95Å; L498-I529 HydrophobicContact CD1-CD1 4.31Å; L498-I529 HydrophobicContact CD1-CG2 4.41Å; L498-Q558 PolarHBondContact O-NE2 2.83Å; L498-V559 HydrophobicContact CD1-CB 4.27Å; L498-V559 HydrophobicContact CD1-CG1 4.16Å; L498-V559 HydrophobicContact CD1-CG2 4.31Å; L498-V559 HydrophobicContact CD2-CB 4.03Å; L498-V559 HydrophobicContact CD2-CG2 4.26Å |
| 499 | T | 94 | Very high | 94.6 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 27% | 0.27 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.1 | -28.5 | 177.8 | 51 | 0 | 0 | 0 | 0 | 113.3 | M495 G496 Y497 R502 E527 I529 | M495-T499 WeakPolarHBondContact O-CB 3.48Å; M495-T499 VanDerWaalsContact O-CG2 3.3Å; M495-T499 WeakPolarHBondContact O-CG2 3.37Å; M495-T499 PolarHBondContact O-N 2.95Å; M495-T499 PolarHBondContact O-OG1 3.16Å; G496-T499 WeakPolarHBondContact CA-OG1 3.49Å; G496-T499 PolarHBondContact O-OG1 3.27Å; G496-T499 VanDerWaalsContact O-OG1 3.04Å; Y497-T499 PolarHBondContact O-N 2.9Å; T499-R502 WeakPolarHBondContact O-CG 3.43Å; T499-R502 PolarHBondContact O-NE 3.16Å; T499-E527 HydrophobicContact CG2-CB 4.39Å; T499-E527 HydrophobicContact CG2-CG 4.19Å; T499-I529 HydrophobicContact CG2-CD1 4.16Å |
| 500 | S | 94.5 | Very high | 94.5 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 56% | 0.559 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -82.7 | -22.4 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | G496 Y497 L498 | G496-S500 WeakPolarHBondContact O-CB 3.48Å; G496-S500 PolarHBondContact O-N 3.06Å; G496-S500 VanDerWaalsContact O-N 3.14Å; G496-S500 PolarHBondContact O-OG 2.78Å; Y497-S500 WeakPolarHBondContact CA-OG 3.2Å; Y497-S500 PolarHBondContact O-N 2.86Å; Y497-S500 PolarHBondContact O-OG 3.26Å; L498-S500 VanDerWaalsContact C-N 3.3Å; L498-S500 PolarHBondContact O-N 3.32Å |
| 501 | H | 93.4 | Very high | 94.3 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 29% | 0.292 | 20% | 0.201 | S | C | . | . | trans | -120.3 | 51.9 | -176.6 | -59.9 | 84.1 | 0 | 0 | 0 | 112.8 | Y497 L498 S503 Q504 Q558 | Y497-H501 AromaticContact CD2-CE1 4Å; Y497-H501 AromaticContact CD2-ND1 3.88Å; Y497-H501 HydrophobicContact CE1-CB 4.37Å; Y497-H501 AromaticContact CE2-CE1 3.69Å; Y497-H501 AromaticContact CE2-ND1 3.75Å; Y497-H501 AromaticContact CZ-ND1 3.84Å; Y497-H501 PolarHBondContact O-N 3.45Å; Y497-H501 PolarHBondContact O-ND1 3.01Å; L498-H501 CarbonylContact O-C 3.4Å; L498-H501 PolarHBondContact O-N 2.88Å; H501-S503 PolarHBondContact O-N 3.48Å; H501-S503 VanDerWaalsContact O-N 3.14Å; H501-Q504 HydrophobicContact CB-CB 4.2Å; H501-Q504 HydrophobicContact CB-CG 4.24Å; H501-Q504 PolarHBondContact CD2-OE1 2.9Å; H501-Q504 PolarHBondContact O-N 3.25Å; H501-Q558 PolarHBondContact O-NE2 3.25Å | ||
| 502 | R | 89.9 | Confident | 94 | Very high | 191 Ų | 191 | 42.1 Ų | 42.1 | 72% | 0.721 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26 | -172.4 | -67.9 | -174.8 | -179.7 | 172.9 | -3.9 | 115.8 | L498 T499 | L498-R502 PolarHBondContact O-N 2.65Å; T499-R502 WeakPolarHBondContact O-CG 3.43Å; T499-R502 PolarHBondContact O-NE 3.16Å |
| 503 | S | 88.8 | Confident | 93.9 | Very high | 118 Ų | 118 | 38.7 Ų | 38.7 | 83% | 0.825 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.8 | 179.3 | 59 | 0 | 0 | 0 | 0 | 113.4 | H501 | H501-S503 PolarHBondContact O-N 3.48Å; H501-S503 VanDerWaalsContact O-N 3.14Å |
| 504 | Q | 92.3 | Very high | 93.7 | Very high | 56 Ų | 56 | 38.9 Ų | 38.9 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -94.9 | 139.7 | -177.8 | -65.8 | -175.8 | -24.4 | 0 | 0 | 111.2 | Y497 H501 Q558 H577 | Y497-Q504 PolarHBondContact OH-OE1 3.42Å; H501-Q504 HydrophobicContact CB-CB 4.2Å; H501-Q504 HydrophobicContact CB-CG 4.24Å; H501-Q504 PolarHBondContact CD2-OE1 2.9Å; H501-Q504 PolarHBondContact O-N 3.25Å; Q504-Q558 WeakPolarHBondContact O-CG 3.1Å; Q504-H577 PolarHBondContact NE2-NE2 2.79Å; Q504-H577 VanDerWaalsContact NE2-NE2 3.13Å; Q504-H577 PolarHBondContact OE1-CE1 3.24Å; Q504-H577 PolarHBondContact OE1-NE2 3.29Å |
| 505 | K | 93.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 39 Ų | 39 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | trans | -85.7 | 124.5 | 171.6 | -63.1 | -65.3 | -178.2 | 159.5 | 0 | 109.7 | F550 E552 A557 Q558 F574 A575 | K505-F550 HydrophobicContact CB-CE2 3.84Å; K505-F550 HydrophobicContact CB-CZ 3.88Å; K505-F550 HydrophobicContact CD-CD2 4.17Å; K505-F550 HydrophobicContact CD-CE2 3.94Å; K505-F550 WeakPolarHBondContact CD-O 3.21Å; K505-F550 WeakPolarHBondContact CE-O 3.41Å; K505-F550 HydrophobicContact CG-CE2 4.44Å; K505-F550 PolarHBondContact NZ-O 2.79Å; K505-E552 WeakPolarHBondContact CE-O 3.35Å; K505-E552 PolarHBondContact NZ-O 3.17Å; K505-A557 PolarHBondContact NZ-O 2.85Å; K505-Q558 WeakPolarHBondContact CA-O 3.47Å; K505-F574 HydrophobicContact CB-CD2 4.41Å; K505-F574 HydrophobicContact CB-CE2 4.45Å; K505-F574 HydrophobicContact CG-CD2 4.3Å; K505-F574 HydrophobicContact CG-CE2 4.44Å; K505-A575 HydrophobicContact CB-CB 3.89Å | ||
| 506 | V | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.9 | -175.4 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | Y497 L498 V508 Q558 V559 L560 H577 V579 | Y497-V506 HydrophobicContact CE1-CG2 4.08Å; L498-V506 HydrophobicContact CD2-CB 3.88Å; L498-V506 HydrophobicContact CD2-CG1 4.31Å; L498-V506 HydrophobicContact CD2-CG2 3.73Å; V506-V508 HydrophobicContact CG1-CG2 4.18Å; V506-Q558 PolarHBondContact N-O 2.89Å; V506-V559 HydrophobicContact CB-CG2 4.3Å; V506-V559 VanDerWaalsContact O-CA 3.26Å; V506-V559 WeakPolarHBondContact O-CA 3.41Å; V506-V559 WeakPolarHBondContact O-CG2 3.21Å; V506-L560 PolarHBondContact O-N 3.32Å; V506-H577 WeakPolarHBondContact CA-O 3.41Å; V506-H577 HydrophobicContact CG1-CB 4.46Å; V506-H577 HydrophobicContact CG2-CB 4.08Å; V506-V579 HydrophobicContact CG1-CG2 3.58Å |
| 507 | L | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120 | 172.3 | 179.1 | 62.6 | 0 | 0 | 0 | 109.2 | I509 L560 C562 F572 H577 M578 V579 R596 L597 | L507-I509 HydrophobicContact CD2-CD1 4.36Å; L507-I509 HydrophobicContact CG-CG1 4.25Å; L507-L560 HydrophobicContact CD1-CB 4.11Å; L507-L560 HydrophobicContact CD1-CD2 3.95Å; L507-L560 HydrophobicContact CD1-CG 4.23Å; L507-C562 VanDerWaalsContact CD1-SG 3.56Å; L507-F572 HydrophobicContact CD1-CD2 4.43Å; L507-F572 HydrophobicContact CD1-CE2 4.4Å; L507-F572 HydrophobicContact CD2-CD2 3.92Å; L507-F572 HydrophobicContact CD2-CE2 4.48Å; L507-H577 PolarHBondContact N-O 2.7Å; L507-M578 HydrophobicContact CD2-CE 3.85Å; L507-M578 CarbonylContact O-C 3.53Å; L507-M578 WeakPolarHBondContact O-CA 3.49Å; L507-V579 PolarHBondContact O-N 3.02Å; L507-R596 HydrophobicContact CD2-CB 3.99Å; L507-L597 HydrophobicContact CB-CD2 4.44Å; L507-L597 HydrophobicContact CD2-CD2 3.91Å; L507-L597 HydrophobicContact CD2-CG 4.43Å |
| 508 | V | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.8 | 177.3 | -175 | 0 | 0 | 0 | 0 | 108.8 | L494 V506 V559 L560 L561 C562 V579 F581 | L494-V508 HydrophobicContact CD1-CG2 4.11Å; L494-V508 HydrophobicContact CD2-CG1 4.46Å; L494-V508 HydrophobicContact CD2-CG2 4.41Å; V506-V508 HydrophobicContact CG1-CG2 4.18Å; V508-V559 HydrophobicContact CB-CG2 4.49Å; V508-V559 HydrophobicContact CG2-CG2 3.45Å; V508-V559 VanDerWaalsContact CG2-CG2 3.45Å; V508-L560 PolarHBondContact N-O 2.82Å; V508-L561 HydrophobicContact CB-CD2 3.65Å; V508-L561 HydrophobicContact CG1-CD2 4Å; V508-L561 HydrophobicContact CG2-CD2 3.77Å; V508-C562 PolarHBondContact O-N 3.48Å; V508-V579 CarbonylContact C-O 3.51Å; V508-V579 VanDerWaalsContact CA-O 3.3Å; V508-V579 WeakPolarHBondContact CA-O 3.48Å; V508-V579 HydrophobicContact CB-CB 4.34Å; V508-V579 HydrophobicContact CG1-CB 4.19Å; V508-V579 HydrophobicContact CG1-CG1 4.23Å; V508-V579 HydrophobicContact CG2-CB 3.99Å; V508-V579 HydrophobicContact CG2-CG2 4.28Å; V508-F581 HydrophobicContact CG1-CB 4.18Å |
| 509 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.1 | 178 | -56 | -178.8 | 0 | 0 | 0 | 109.5 | L507 C562 M578 V579 F581 R593 | L507-I509 HydrophobicContact CD2-CD1 4.36Å; L507-I509 HydrophobicContact CG-CG1 4.25Å; I509-C562 HydrophobicContact CG1-CB 4.49Å; I509-M578 HydrophobicContact CD1-CE 4.1Å; I509-M578 HydrophobicContact CD1-SD 4.32Å; I509-V579 PolarHBondContact N-O 3.2Å; I509-F581 PolarHBondContact O-N 2.73Å; I509-R593 HydrophobicContact CD1-CB 3.89Å; I509-R593 HydrophobicContact CD1-CG 3.77Å; I509-R593 HydrophobicContact CG2-CG 4.24Å |
| 510 | C | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -120.3 | 146.2 | 174.8 | -49.8 | 0 | 0 | 0 | 0 | 109.5 | K512 T515 A516 C562 S563 E564 D582 | C510-K512 PolarHBondContact O-N 3.38Å; C510-T515 HydrophobicContact CB-CG2 4.25Å; C510-A516 HydrophobicContact CB-CB 4.44Å; C510-C562 PolarHBondContact N-O 2.95Å; C510-S563 CarbonylContact O-C 3.6Å; C510-S563 WeakPolarHBondContact O-CA 3.3Å; C510-E564 PolarHBondContact O-N 2.98Å; C510-D582 VanDerWaalsContact CA-OD2 3.26Å; C510-D582 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 511 | A | 91.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -66 | -19 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y469 D582 | Y469-A511 HydrophobicContact CD1-CB 4.29Å; Y469-A511 HydrophobicContact CE1-CB 3.34Å; Y469-A511 WeakPolarHBondContact OH-CB 3.3Å; A511-D582 VanDerWaalsContact CB-OD1 3.28Å; A511-D582 WeakPolarHBondContact CB-OD1 3.46Å; A511-D582 VanDerWaalsContact N-CG 3.27Å; A511-D582 PolarHBondContact N-OD1 2.85Å; A511-D582 VanDerWaalsContact N-OD1 3.07Å; A511-D582 PolarHBondContact N-OD2 2.79Å |
| 512 | K | 90.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 36.6 Ų | 36.6 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -138 | 142.3 | -174.2 | -61.1 | -64.6 | 168.1 | -157.6 | 0 | 112.4 | C510 A514 T515 A516 | C510-K512 PolarHBondContact O-N 3.38Å; K512-A514 VanDerWaalsContact C-N 3.33Å; K512-A514 PolarHBondContact O-N 3.04Å; K512-T515 PolarHBondContact O-N 2.93Å; K512-A516 PolarHBondContact O-N 3.15Å |
| 513 | A | 91.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T515 A516 L517 H535 E536 | A513-T515 VanDerWaalsContact C-N 3.29Å; A513-T515 PolarHBondContact O-N 3.41Å; A513-A516 PolarHBondContact O-N 2.66Å; A513-L517 WeakPolarHBondContact O-CG 3.38Å; A513-L517 PolarHBondContact O-N 3.27Å; A513-H535 HydrophobicContact CB-CB 3.63Å; A513-E536 WeakPolarHBondContact CB-OE1 3.38Å |
| 514 | A | 92.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 28 Ų | 28 | 46% | 0.463 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -58 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K512 L517 Q518 | K512-A514 VanDerWaalsContact C-N 3.33Å; K512-A514 PolarHBondContact O-N 3.04Å; A514-L517 PolarHBondContact O-N 3Å; A514-Q518 WeakPolarHBondContact O-CB 3.26Å; A514-Q518 WeakPolarHBondContact O-CG 3.47Å; A514-Q518 PolarHBondContact O-N 3.45Å; A514-Q518 PolarHBondContact O-OE1 2.81Å |
| 515 | T | 92.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 176.5 | -50.9 | 0 | 0 | 0 | 0 | 110.9 | W484 C510 K512 A513 L517 Q518 L519 F581 | W484-T515 HydrophobicContact CH2-CG2 3.97Å; W484-T515 HydrophobicContact CZ2-CG2 3.99Å; C510-T515 HydrophobicContact CB-CG2 4.25Å; K512-T515 PolarHBondContact O-N 2.93Å; A513-T515 VanDerWaalsContact C-N 3.29Å; A513-T515 PolarHBondContact O-N 3.41Å; T515-L517 PolarHBondContact O-N 3Å; T515-Q518 PolarHBondContact O-N 2.94Å; T515-L519 HydrophobicContact CG2-CD1 4.33Å; T515-L519 VanDerWaalsContact O-CG 3.32Å; T515-L519 WeakPolarHBondContact O-CG 3.45Å; T515-L519 PolarHBondContact O-N 2.86Å; T515-F581 HydrophobicContact CG2-CD1 3.87Å; T515-F581 HydrophobicContact CG2-CE1 3.75Å |
| 516 | A | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C510 K512 A513 L519 E520 L561 | C510-A516 HydrophobicContact CB-CB 4.44Å; K512-A516 PolarHBondContact O-N 3.15Å; A513-A516 PolarHBondContact O-N 2.66Å; A516-L519 PolarHBondContact O-N 2.96Å; A516-E520 PolarHBondContact O-N 3.18Å; A516-L561 HydrophobicContact CB-CB 4.28Å |
| 517 | L | 94.4 | Very high | 93.2 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 38% | 0.377 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.8 | -74.4 | 171.5 | 0 | 0 | 0 | 112.4 | A513 A514 T515 E520 Q521 V533 | A513-L517 WeakPolarHBondContact O-CG 3.38Å; A513-L517 PolarHBondContact O-N 3.27Å; A514-L517 PolarHBondContact O-N 3Å; T515-L517 PolarHBondContact O-N 3Å; L517-E520 WeakPolarHBondContact O-CB 3.06Å; L517-E520 PolarHBondContact O-N 2.95Å; L517-Q521 PolarHBondContact O-N 2.92Å; L517-Q521 VanDerWaalsContact O-N 3.07Å; L517-V533 HydrophobicContact CD2-CG1 4.33Å; L517-V533 HydrophobicContact CD2-CG2 4.44Å |
| 518 | Q | 93.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 42.2 Ų | 42.2 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | 177.6 | -72.1 | 170.7 | -25.6 | 0 | 0 | 111.5 | W484 W485 A514 T515 Q521 V522 | W484-Q518 HydrophobicContact CZ2-CB 4.28Å; W485-Q518 HydrophobicContact CE3-CB 3.95Å; W485-Q518 HydrophobicContact CE3-CG 4.24Å; W485-Q518 HydrophobicContact CH2-CG 4.3Å; W485-Q518 HydrophobicContact CZ3-CB 3.88Å; W485-Q518 HydrophobicContact CZ3-CG 3.65Å; A514-Q518 WeakPolarHBondContact O-CB 3.26Å; A514-Q518 WeakPolarHBondContact O-CG 3.47Å; A514-Q518 PolarHBondContact O-N 3.45Å; A514-Q518 PolarHBondContact O-OE1 2.81Å; T515-Q518 PolarHBondContact O-N 2.94Å; Q518-Q521 PolarHBondContact O-N 2.82Å; Q518-V522 VanDerWaalsContact O-CG2 3.23Å; Q518-V522 WeakPolarHBondContact O-CG2 3.28Å; Q518-V522 PolarHBondContact O-N 3.41Å; Q518-V522 VanDerWaalsContact O-N 3.15Å |
| 519 | L | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 172.5 | -70.3 | 175 | 0 | 0 | 0 | 111.5 | W484 V491 T515 A516 Q521 V522 L523 L561 F581 | W484-L519 HydrophobicContact CH2-CD2 4.24Å; V491-L519 HydrophobicContact CG1-CD2 4.34Å; V491-L519 HydrophobicContact CG2-CD2 3.74Å; T515-L519 HydrophobicContact CG2-CD1 4.33Å; T515-L519 VanDerWaalsContact O-CG 3.32Å; T515-L519 WeakPolarHBondContact O-CG 3.45Å; T515-L519 PolarHBondContact O-N 2.86Å; A516-L519 PolarHBondContact O-N 2.96Å; L519-Q521 VanDerWaalsContact C-N 3.33Å; L519-Q521 PolarHBondContact O-N 2.8Å; L519-V522 PolarHBondContact O-N 3.33Å; L519-L523 WeakPolarHBondContact O-CB 3.49Å; L519-L523 VanDerWaalsContact O-CG 3.24Å; L519-L523 WeakPolarHBondContact O-CG 3.14Å; L519-L523 PolarHBondContact O-N 3.42Å; L519-L561 HydrophobicContact CB-CD1 4.02Å; L519-L561 HydrophobicContact CB-CD2 4.24Å; L519-F581 HydrophobicContact CD1-CD1 4.37Å; L519-F581 HydrophobicContact CD1-CD2 3.91Å; L519-F581 HydrophobicContact CD1-CE1 4.48Å; L519-F581 HydrophobicContact CD1-CE2 4.03Å; L519-F581 HydrophobicContact CD1-CG 4.09Å; L519-F581 HydrophobicContact CD1-CZ 4.32Å; L519-F581 HydrophobicContact CD2-CE2 3.98Å; L519-F581 HydrophobicContact CD2-CZ 4.15Å |
| 520 | E | 95.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 49 Ų | 49 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.7 | -51.1 | 175.6 | -176.6 | -78.8 | 150.4 | 0 | 0 | 110.8 | A516 L517 V522 L523 R524 A531 V533 L561 | A516-E520 PolarHBondContact O-N 3.18Å; L517-E520 WeakPolarHBondContact O-CB 3.06Å; L517-E520 PolarHBondContact O-N 2.95Å; E520-V522 VanDerWaalsContact C-N 3.27Å; E520-V522 PolarHBondContact O-N 3.43Å; E520-L523 PolarHBondContact O-N 3.29Å; E520-R524 WeakPolarHBondContact O-CB 3.09Å; E520-R524 PolarHBondContact O-N 2.97Å; E520-R524 WeakPolarHBondContact OE1-CD 3.36Å; E520-R524 IonicContact OE1-CZ 3.21Å; E520-R524 IonicContact OE1-NE 2.84Å; E520-R524 PolarHBondContact OE1-NE 3.36Å; E520-R524 IonicContact OE2-NE 3.17Å; E520-R524 IonicContact OE2-NH2 2.66Å; E520-A531 HydrophobicContact CG-CB 4.24Å; E520-V533 HydrophobicContact CB-CG1 3.58Å; E520-V533 HydrophobicContact CG-CG1 3.73Å; E520-L561 HydrophobicContact CB-CD1 3.64Å |
| 521 | Q | 92.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.1 | -44.8 | -177 | -177.7 | 179.6 | -0.2 | 0 | 0 | 110.8 | L517 Q518 L519 R524 E525 | L517-Q521 PolarHBondContact O-N 2.92Å; L517-Q521 VanDerWaalsContact O-N 3.07Å; Q518-Q521 PolarHBondContact O-N 2.82Å; L519-Q521 VanDerWaalsContact C-N 3.33Å; L519-Q521 PolarHBondContact O-N 2.8Å; Q521-R524 PolarHBondContact O-N 2.99Å; Q521-E525 HydrophobicContact CG-CG 4.3Å; Q521-E525 VanDerWaalsContact CG-OE1 3.22Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.48Å; Q521-E525 PolarHBondContact NE2-OE1 2.89Å; Q521-E525 VanDerWaalsContact O-CB 3.26Å; Q521-E525 WeakPolarHBondContact O-CB 3.39Å; Q521-E525 VanDerWaalsContact O-CG 3.26Å; Q521-E525 WeakPolarHBondContact O-CG 3.46Å; Q521-E525 PolarHBondContact O-N 3.3Å |
| 522 | V | 92.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.6 | -46.1 | -178.7 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | W485 V491 M495 Q518 L519 E520 R524 E525 R526 | W485-V522 HydrophobicContact CB-CG2 3.89Å; W485-V522 HydrophobicContact CD2-CG2 3.75Å; W485-V522 HydrophobicContact CG-CG2 3.33Å; V491-V522 HydrophobicContact CG1-CG1 3.88Å; M495-V522 HydrophobicContact SD-CG1 3.93Å; Q518-V522 VanDerWaalsContact O-CG2 3.23Å; Q518-V522 WeakPolarHBondContact O-CG2 3.28Å; Q518-V522 PolarHBondContact O-N 3.41Å; Q518-V522 VanDerWaalsContact O-N 3.15Å; L519-V522 PolarHBondContact O-N 3.33Å; E520-V522 VanDerWaalsContact C-N 3.27Å; E520-V522 PolarHBondContact O-N 3.43Å; V522-R524 PolarHBondContact O-N 2.65Å; V522-E525 PolarHBondContact O-N 3.43Å; V522-R526 HydrophobicContact CG1-CG 4.38Å; V522-R526 WeakPolarHBondContact O-CB 3.44Å; V522-R526 PolarHBondContact O-N 3.33Å |
| 523 | L | 94.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 178.5 | -69.6 | -177 | 0 | 0 | 0 | 111.3 | M495 L498 L519 E520 E527 G528 I529 A531 V559 L561 | M495-L523 HydrophobicContact CB-CD2 4.48Å; M495-L523 HydrophobicContact CG-CD2 3.47Å; M495-L523 VanDerWaalsContact CG-CD2 3.47Å; L498-L523 HydrophobicContact CD1-CD1 3.75Å; L498-L523 HydrophobicContact CD1-CD2 3.94Å; L519-L523 WeakPolarHBondContact O-CB 3.49Å; L519-L523 VanDerWaalsContact O-CG 3.24Å; L519-L523 WeakPolarHBondContact O-CG 3.14Å; L519-L523 PolarHBondContact O-N 3.42Å; E520-L523 PolarHBondContact O-N 3.29Å; L523-E527 PolarHBondContact O-N 2.99Å; L523-G528 PolarHBondContact O-N 3.43Å; L523-I529 HydrophobicContact CB-CB 4.22Å; L523-I529 HydrophobicContact CD2-CD1 3.95Å; L523-I529 PolarHBondContact O-N 3.12Å; L523-A531 HydrophobicContact CD1-CB 4.38Å; L523-V559 HydrophobicContact CD1-CG1 3.98Å; L523-L561 HydrophobicContact CD1-CD1 4.19Å; L523-L561 HydrophobicContact CD1-CD2 4.28Å |
| 524 | R | 92.6 | Very high | 92.8 | Very high | 126 Ų | 126 | 46 Ų | 46 | 48% | 0.475 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.3 | -45.6 | 176.1 | -176.9 | 171.6 | 51.6 | 69.2 | 6.5 | 113 | E520 Q521 V522 G528 | E520-R524 WeakPolarHBondContact O-CB 3.09Å; E520-R524 PolarHBondContact O-N 2.97Å; E520-R524 WeakPolarHBondContact OE1-CD 3.36Å; E520-R524 IonicContact OE1-CZ 3.21Å; E520-R524 IonicContact OE1-NE 2.84Å; E520-R524 PolarHBondContact OE1-NE 3.36Å; E520-R524 IonicContact OE2-NE 3.17Å; E520-R524 IonicContact OE2-NH2 2.66Å; Q521-R524 PolarHBondContact O-N 2.99Å; V522-R524 PolarHBondContact O-N 2.65Å; R524-G528 WeakPolarHBondContact O-CA 3.49Å; R524-G528 PolarHBondContact O-N 3.4Å |
| 525 | E | 92.1 | Very high | 92.8 | Very high | 119 Ų | 119 | 44.5 Ų | 44.5 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -75.8 | -35.2 | -174.1 | -74.5 | 177.8 | -172.8 | 0 | 0 | 113.9 | Q521 V522 | Q521-E525 HydrophobicContact CG-CG 4.3Å; Q521-E525 VanDerWaalsContact CG-OE1 3.22Å; Q521-E525 WeakPolarHBondContact CG-OE1 3.48Å; Q521-E525 PolarHBondContact NE2-OE1 2.89Å; Q521-E525 VanDerWaalsContact O-CB 3.26Å; Q521-E525 WeakPolarHBondContact O-CB 3.39Å; Q521-E525 VanDerWaalsContact O-CG 3.26Å; Q521-E525 WeakPolarHBondContact O-CG 3.46Å; Q521-E525 PolarHBondContact O-N 3.3Å; V522-E525 PolarHBondContact O-N 3.43Å |
| 526 | R | 91.2 | Very high | 92.3 | Very high | 106 Ų | 106 | 49.4 Ų | 49.4 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -89.8 | -46.4 | -176.1 | -71.9 | -168 | 169.5 | -162.6 | 3.8 | 113.9 | N486 E492 M495 V522 | N486-R526 PolarHBondContact OD1-NH2 3.28Å; E492-R526 IonicContact OE1-CZ 2.94Å; E492-R526 IonicContact OE1-NH1 2.99Å; E492-R526 PolarHBondContact OE1-NH1 3.01Å; M495-R526 HydrophobicContact CE-CB 4.2Å; V522-R526 HydrophobicContact CG1-CG 4.38Å; V522-R526 WeakPolarHBondContact O-CB 3.44Å; V522-R526 PolarHBondContact O-N 3.33Å |
| 527 | E | 89 | Confident | 91.8 | Very high | 102 Ų | 102 | 52.6 Ų | 52.6 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -116.9 | -5.6 | -171.9 | -67.5 | -64.7 | 146.9 | 0 | 0 | 113.3 | M495 T499 L523 I529 | M495-E527 HydrophobicContact CE-CG 3.75Å; T499-E527 HydrophobicContact CG2-CB 4.39Å; T499-E527 HydrophobicContact CG2-CG 4.19Å; L523-E527 PolarHBondContact O-N 2.99Å; E527-I529 HydrophobicContact CB-CD1 3.74Å; E527-I529 HydrophobicContact CB-CG1 3.81Å; E527-I529 HydrophobicContact CG-CD1 4.42Å; E527-I529 PolarHBondContact O-N 3.15Å |
| 528 | G | 89.5 | Confident | 91.3 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 58% | 0.577 | 26% | 0.257 | S | S | * | . | trans | 63.7 | 27.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L523 R524 | L523-G528 PolarHBondContact O-N 3.43Å; R524-G528 WeakPolarHBondContact O-CA 3.49Å; R524-G528 PolarHBondContact O-N 3.4Å | ||
| 529 | I | 92.5 | Very high | 90.7 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | trans | -71.8 | 129.9 | 178.8 | -65.3 | 162.3 | 0 | 0 | 0 | 108.7 | L498 T499 L523 E527 A531 V559 | L498-I529 HydrophobicContact CB-CD1 3.95Å; L498-I529 HydrophobicContact CD1-CD1 4.31Å; L498-I529 HydrophobicContact CD1-CG2 4.41Å; T499-I529 HydrophobicContact CG2-CD1 4.16Å; L523-I529 HydrophobicContact CB-CB 4.22Å; L523-I529 HydrophobicContact CD2-CD1 3.95Å; L523-I529 PolarHBondContact O-N 3.12Å; E527-I529 HydrophobicContact CB-CD1 3.74Å; E527-I529 HydrophobicContact CB-CG1 3.81Å; E527-I529 HydrophobicContact CG-CD1 4.42Å; E527-I529 PolarHBondContact O-N 3.15Å; I529-A531 PolarHBondContact O-N 2.74Å; I529-A531 VanDerWaalsContact O-N 3.14Å; I529-V559 HydrophobicContact CG2-CG1 4.14Å | ||
| 530 | R | 92.5 | Very high | 89.3 | Confident | 127 Ų | 127 | 54.1 Ų | 54.1 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | trans | -72.4 | 103.7 | 174.7 | -68.6 | -179.4 | -81.5 | 171 | -2.1 | 109.1 | W549 D554 T555 G556 A557 Q558 | R530-W549 HydrophobicContact CB-CH2 4.33Å; R530-W549 HydrophobicContact CB-CZ2 4.19Å; R530-W549 HydrophobicContact CG-CZ2 4.48Å; R530-D554 PolarHBondContact NH1-O 3.32Å; R530-D554 PolarHBondContact NH2-O 2.91Å; R530-T555 PolarHBondContact NH1-O 3.31Å; R530-G556 PolarHBondContact NH1-O 3.27Å; R530-A557 CarbonylContact O-C 3.5Å; R530-A557 WeakPolarHBondContact O-CA 3.46Å; R530-Q558 PolarHBondContact O-N 3.34Å | ||
| 531 | A | 94.9 | Very high | 88.2 | Confident | 8 Ų | 8 | 58 Ų | 58 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E520 L523 I529 W549 V559 L561 | E520-A531 HydrophobicContact CG-CB 4.24Å; L523-A531 HydrophobicContact CD1-CB 4.38Å; I529-A531 PolarHBondContact O-N 2.74Å; I529-A531 VanDerWaalsContact O-N 3.14Å; A531-W549 WeakPolarHBondContact O-CZ3 3.36Å; A531-V559 WeakPolarHBondContact CA-O 3.39Å; A531-V559 HydrophobicContact CB-CG1 3.48Å; A531-V559 VanDerWaalsContact CB-CG1 3.48Å; A531-L561 HydrophobicContact CB-CD1 4.05Å |
| 532 | A | 93.7 | Very high | 87.7 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 152.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A546 W549 A557 V559 L560 L561 | A532-A546 HydrophobicContact CB-CB 4.39Å; A532-W549 HydrophobicContact CB-CE3 3.78Å; A532-W549 HydrophobicContact CB-CZ3 4.03Å; A532-A557 HydrophobicContact CB-CB 3.76Å; A532-V559 PolarHBondContact N-O 3.38Å; A532-L560 HydrophobicContact CB-CD1 3.52Å; A532-L561 PolarHBondContact O-N 3.28Å |
| 533 | V | 93.8 | Very high | 87.2 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.9 | 175.6 | -70.2 | 0 | 0 | 0 | 0 | 110.7 | L517 E520 M538 A546 L561 | L517-V533 HydrophobicContact CD2-CG1 4.33Å; L517-V533 HydrophobicContact CD2-CG2 4.44Å; E520-V533 HydrophobicContact CB-CG1 3.58Å; E520-V533 HydrophobicContact CG-CG1 3.73Å; V533-M538 HydrophobicContact CG2-CE 4.49Å; V533-M538 HydrophobicContact CG2-SD 4.06Å; V533-M538 WeakPolarHBondContact O-CE 3.48Å; V533-A546 VanDerWaalsContact O-CB 3.29Å; V533-A546 WeakPolarHBondContact O-CB 3.49Å; V533-L561 CarbonylContact C-O 3.48Å; V533-L561 WeakPolarHBondContact CA-O 3.32Å; V533-L561 HydrophobicContact CG1-CB 4.34Å |
| 534 | F | 90.2 | Very high | 86.2 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 102.9 | 178.2 | -167.3 | -77.2 | 0 | 0 | 0 | 109.7 | R543 L560 L561 C562 S563 I565 R570 | F534-R543 HydrophobicContact CD1-CG 4.46Å; F534-R543 HydrophobicContact CD2-CB 3.9Å; F534-R543 HydrophobicContact CD2-CG 4.02Å; F534-R543 HydrophobicContact CE1-CG 4.35Å; F534-R543 HydrophobicContact CE2-CB 3.5Å; F534-R543 VanDerWaalsContact CE2-CB 3.5Å; F534-R543 HydrophobicContact CE2-CG 3.92Å; F534-R543 HydrophobicContact CG-CG 4.3Å; F534-R543 HydrophobicContact CZ-CB 3.93Å; F534-R543 HydrophobicContact CZ-CG 4.08Å; F534-L560 HydrophobicContact CB-CD1 4.11Å; F534-L560 HydrophobicContact CB-CG 4.4Å; F534-L561 PolarHBondContact N-O 3.11Å; F534-C562 CarbonylContact O-C 3.51Å; F534-C562 VanDerWaalsContact O-CA 3.23Å; F534-C562 WeakPolarHBondContact O-CA 3.42Å; F534-S563 PolarHBondContact O-N 3.26Å; F534-I565 HydrophobicContact CD1-CG2 3.75Å; F534-I565 HydrophobicContact CE1-CG2 3.89Å; F534-R570 HydrophobicContact CE2-CG 4.46Å; F534-R570 HydrophobicContact CZ-CG 4.46Å |
| 535 | H | 90.4 | Very high | 85.6 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 11% | 0.111 | 34% | 0.336 | C | S | . | . | trans | -145.7 | 168.5 | -176.2 | 66.3 | 69 | 0 | 0 | 0 | 113.5 | A513 G537 M538 S563 | A513-H535 HydrophobicContact CB-CB 3.63Å; H535-G537 VanDerWaalsContact C-N 3.29Å; H535-G537 PolarHBondContact ND1-N 3.4Å; H535-G537 VanDerWaalsContact ND1-N 3.12Å; H535-G537 PolarHBondContact O-N 2.71Å; H535-M538 WeakPolarHBondContact O-CB 3.24Å; H535-M538 PolarHBondContact O-N 3.15Å; H535-S563 WeakPolarHBondContact CA-OG 3.44Å | ||
| 536 | E | 82.7 | Confident | 85.3 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.6 | -172.8 | 59.7 | -86.3 | -164.5 | 0 | 0 | 113.7 | A513 M538 S563 | A513-E536 WeakPolarHBondContact CB-OE1 3.38Å; E536-M538 PolarHBondContact O-N 3.07Å; E536-S563 VanDerWaalsContact OE2-CB 3.22Å; E536-S563 WeakPolarHBondContact OE2-CB 3.43Å; E536-S563 PolarHBondContact OE2-OG 3.02Å |
| 537 | G | 85 | Confident | 84.9 | Confident | 66 Ų | 66 | 56 Ų | 56 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | H535 | H535-G537 VanDerWaalsContact C-N 3.29Å; H535-G537 PolarHBondContact ND1-N 3.4Å; H535-G537 VanDerWaalsContact ND1-N 3.12Å; H535-G537 PolarHBondContact O-N 2.71Å |
| 538 | M | 84.3 | Confident | 84.4 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -89.1 | 140.8 | 176.6 | -68.4 | 171.9 | 71.8 | 0 | 0 | 110.8 | V533 H535 E536 E542 R543 A546 | V533-M538 HydrophobicContact CG2-CE 4.49Å; V533-M538 HydrophobicContact CG2-SD 4.06Å; V533-M538 WeakPolarHBondContact O-CE 3.48Å; H535-M538 WeakPolarHBondContact O-CB 3.24Å; H535-M538 PolarHBondContact O-N 3.15Å; E536-M538 PolarHBondContact O-N 3.07Å; M538-E542 HydrophobicContact CB-CB 4.3Å; M538-E542 HydrophobicContact CE-CB 3.74Å; M538-R543 HydrophobicContact CB-CG 3.67Å; M538-R543 HydrophobicContact CE-CG 4.35Å; M538-R543 PolarHBondContact O-NE 2.71Å; M538-R543 HydrophobicContact SD-CG 4.3Å; M538-A546 HydrophobicContact CE-CB 4.1Å |
| 539 | S | 78.8 | Confident | 84.2 | Confident | 57 Ų | 57 | 55 Ų | 55 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | trans | -59.4 | 156.8 | 166.7 | 69.4 | 0 | 0 | 0 | 0 | 109.9 | I541 E542 R543 | S539-I541 VanDerWaalsContact C-N 3.27Å; S539-I541 PolarHBondContact O-N 2.83Å; S539-E542 WeakPolarHBondContact CB-OE2 3.43Å; S539-E542 PolarHBondContact N-OE2 3.19Å; S539-E542 PolarHBondContact O-N 3.14Å; S539-E542 WeakPolarHBondContact OG-CB 3.36Å; S539-E542 WeakPolarHBondContact OG-CG 3.44Å; S539-E542 PolarHBondContact OG-N 2.98Å; S539-E542 PolarHBondContact OG-OE2 2.87Å; S539-R543 PolarHBondContact O-N 3.13Å | ||
| 540 | I | 67.2 | Low | 84.1 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.7 | -31 | -173.8 | -55 | 156.3 | 0 | 0 | 0 | 111.1 | H213 R543 D544 | H213-I540 HydrophobicContact CB-CG2 3.51Å; H213-I540 WeakPolarHBondContact CD2-CG2 3.34Å; H213-I540 WeakPolarHBondContact CE1-CD1 2.87Å; H213-I540 WeakPolarHBondContact ND1-CD1 3.41Å; I540-R543 WeakPolarHBondContact O-CB 3.23Å; I540-R543 PolarHBondContact O-N 2.92Å; I540-D544 PolarHBondContact O-N 2.94Å |
| 541 | I | 72.2 | Confident | 83.6 | Confident | 118 Ų | 118 | 49.9 Ų | 49.9 | 61% | 0.605 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 172 | -60.6 | 172.6 | 0 | 0 | 0 | 111.2 | S539 D544 R545 | S539-I541 VanDerWaalsContact C-N 3.27Å; S539-I541 PolarHBondContact O-N 2.83Å; I541-D544 PolarHBondContact O-N 3.18Å; I541-R545 PolarHBondContact O-N 2.97Å |
| 542 | E | 82.3 | Confident | 83 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.6 | -72.8 | 164.7 | 143.8 | 0 | 0 | 111.7 | M538 S539 D544 R545 A546 | M538-E542 HydrophobicContact CB-CB 4.3Å; M538-E542 HydrophobicContact CE-CB 3.74Å; S539-E542 WeakPolarHBondContact CB-OE2 3.43Å; S539-E542 PolarHBondContact N-OE2 3.19Å; S539-E542 PolarHBondContact O-N 3.14Å; S539-E542 WeakPolarHBondContact OG-CB 3.36Å; S539-E542 WeakPolarHBondContact OG-CG 3.44Å; S539-E542 PolarHBondContact OG-N 2.98Å; S539-E542 PolarHBondContact OG-OE2 2.87Å; E542-D544 VanDerWaalsContact C-N 3.35Å; E542-R545 PolarHBondContact O-N 2.7Å; E542-A546 WeakPolarHBondContact O-CB 3.34Å; E542-A546 PolarHBondContact O-N 2.67Å |
| 543 | R | 80.8 | Confident | 82.3 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.8 | -79.4 | -169.6 | -86.3 | 159.7 | -10.6 | 112.1 | F534 M538 S539 I540 A546 A547 | F534-R543 HydrophobicContact CD1-CG 4.46Å; F534-R543 HydrophobicContact CD2-CB 3.9Å; F534-R543 HydrophobicContact CD2-CG 4.02Å; F534-R543 HydrophobicContact CE1-CG 4.35Å; F534-R543 HydrophobicContact CE2-CB 3.5Å; F534-R543 VanDerWaalsContact CE2-CB 3.5Å; F534-R543 HydrophobicContact CE2-CG 3.92Å; F534-R543 HydrophobicContact CG-CG 4.3Å; F534-R543 HydrophobicContact CZ-CB 3.93Å; F534-R543 HydrophobicContact CZ-CG 4.08Å; M538-R543 HydrophobicContact CB-CG 3.67Å; M538-R543 HydrophobicContact CE-CG 4.35Å; M538-R543 PolarHBondContact O-NE 2.71Å; M538-R543 HydrophobicContact SD-CG 4.3Å; S539-R543 PolarHBondContact O-N 3.13Å; I540-R543 WeakPolarHBondContact O-CB 3.23Å; I540-R543 PolarHBondContact O-N 2.92Å; R543-A546 PolarHBondContact O-N 2.92Å; R543-A547 PolarHBondContact O-N 3.13Å |
| 544 | D | 73.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.6 | -168 | 71.3 | 0 | 0 | 0 | 111.6 | I540 I541 E542 A546 A547 A548 R570 | I540-D544 PolarHBondContact O-N 2.94Å; I541-D544 PolarHBondContact O-N 3.18Å; E542-D544 VanDerWaalsContact C-N 3.35Å; D544-A546 VanDerWaalsContact C-N 3.31Å; D544-A546 PolarHBondContact O-N 3.3Å; D544-A547 PolarHBondContact O-N 3.42Å; D544-A548 WeakPolarHBondContact O-CB 3.36Å; D544-A548 PolarHBondContact O-N 3.19Å; D544-R570 IonicContact OD1-CZ 2.67Å; D544-R570 IonicContact OD1-NH1 3.91Å; D544-R570 PolarHBondContact OD1-NH1 3Å; D544-R570 IonicContact OD1-NH2 3.22Å |
| 545 | R | 81.5 | Confident | 81.1 | Confident | 177 Ų | 177 | 71 Ų | 71 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 175.6 | -171.1 | -176.8 | -61.1 | 171 | 2.4 | 112.2 | I541 E542 A548 W549 | I541-R545 PolarHBondContact O-N 2.97Å; E542-R545 PolarHBondContact O-N 2.7Å; R545-A548 PolarHBondContact O-N 3.42Å; R545-W549 WeakPolarHBondContact O-CB 3.04Å; R545-W549 PolarHBondContact O-N 2.74Å |
| 546 | A | 86.1 | Confident | 80.9 | Confident | 12 Ų | 12 | 70 Ų | 70 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A532 V533 M538 E542 R543 D544 F550 | A532-A546 HydrophobicContact CB-CB 4.39Å; V533-A546 VanDerWaalsContact O-CB 3.29Å; V533-A546 WeakPolarHBondContact O-CB 3.49Å; M538-A546 HydrophobicContact CE-CB 4.1Å; E542-A546 WeakPolarHBondContact O-CB 3.34Å; E542-A546 PolarHBondContact O-N 2.67Å; R543-A546 PolarHBondContact O-N 2.92Å; D544-A546 VanDerWaalsContact C-N 3.31Å; D544-A546 PolarHBondContact O-N 3.3Å; A546-F550 WeakPolarHBondContact O-CB 3.39Å; A546-F550 PolarHBondContact O-N 2.95Å |
| 547 | A | 81.8 | Confident | 81.3 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R543 D544 F550 A551 F572 | R543-A547 PolarHBondContact O-N 3.13Å; D544-A547 PolarHBondContact O-N 3.42Å; A547-F550 WeakPolarHBondContact O-CB 3.32Å; A547-F550 PolarHBondContact O-N 3.43Å; A547-A551 PolarHBondContact O-N 2.96Å; A547-F572 HydrophobicContact CB-CE1 4.14Å |
| 548 | A | 78.2 | Confident | 81.8 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D544 R545 F550 A551 E552 | D544-A548 WeakPolarHBondContact O-CB 3.36Å; D544-A548 PolarHBondContact O-N 3.19Å; R545-A548 PolarHBondContact O-N 3.42Å; A548-F550 VanDerWaalsContact C-N 3.25Å; A548-F550 PolarHBondContact O-N 3.4Å; A548-A551 WeakPolarHBondContact O-CB 3.21Å; A548-A551 PolarHBondContact O-N 3.38Å; A548-E552 PolarHBondContact O-N 3.33Å |
| 549 | W | 86.4 | Confident | 82.3 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 34% | 0.341 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -30.2 | 175.7 | -175.3 | 47 | 0 | 0 | 0 | 112.4 | R530 A531 A532 R545 T555 G556 A557 | R530-W549 HydrophobicContact CB-CH2 4.33Å; R530-W549 HydrophobicContact CB-CZ2 4.19Å; R530-W549 HydrophobicContact CG-CZ2 4.48Å; A531-W549 WeakPolarHBondContact O-CZ3 3.36Å; A532-W549 HydrophobicContact CB-CE3 3.78Å; A532-W549 HydrophobicContact CB-CZ3 4.03Å; R545-W549 WeakPolarHBondContact O-CB 3.04Å; R545-W549 PolarHBondContact O-N 2.74Å; W549-T555 PolarHBondContact NE1-O 2.9Å; W549-G556 CarbonylContact O-C 3.07Å; W549-G556 WeakPolarHBondContact O-CA 3.49Å; W549-A557 HydrophobicContact CD2-CB 3.92Å; W549-A557 HydrophobicContact CE3-CB 3.78Å; W549-A557 HydrophobicContact CH2-CB 4.08Å; W549-A557 HydrophobicContact CZ2-CB 4.22Å; W549-A557 HydrophobicContact CZ3-CB 3.87Å; W549-A557 PolarHBondContact O-N 3.46Å |
| 550 | F | 89.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 171.2 | 174.9 | -126.7 | 0 | 0 | 0 | 112.6 | K505 A546 A547 A548 L560 F572 F574 A575 | K505-F550 HydrophobicContact CB-CE2 3.84Å; K505-F550 HydrophobicContact CB-CZ 3.88Å; K505-F550 HydrophobicContact CD-CD2 4.17Å; K505-F550 HydrophobicContact CD-CE2 3.94Å; K505-F550 WeakPolarHBondContact CD-O 3.21Å; K505-F550 WeakPolarHBondContact CE-O 3.41Å; K505-F550 HydrophobicContact CG-CE2 4.44Å; K505-F550 PolarHBondContact NZ-O 2.79Å; A546-F550 WeakPolarHBondContact O-CB 3.39Å; A546-F550 PolarHBondContact O-N 2.95Å; A547-F550 WeakPolarHBondContact O-CB 3.32Å; A547-F550 PolarHBondContact O-N 3.43Å; A548-F550 VanDerWaalsContact C-N 3.25Å; A548-F550 PolarHBondContact O-N 3.4Å; F550-L560 HydrophobicContact CB-CB 4.18Å; F550-L560 HydrophobicContact CB-CD1 4.31Å; F550-L560 HydrophobicContact CD1-CB 3.6Å; F550-L560 HydrophobicContact CD1-CD2 3.75Å; F550-L560 HydrophobicContact CD1-CG 4.23Å; F550-L560 HydrophobicContact CD2-CB 3.81Å; F550-L560 HydrophobicContact CE1-CB 3.84Å; F550-L560 HydrophobicContact CE1-CD2 4.26Å; F550-L560 HydrophobicContact CE2-CB 4.03Å; F550-L560 HydrophobicContact CG-CB 3.6Å; F550-L560 HydrophobicContact CG-CD2 4.32Å; F550-L560 HydrophobicContact CG-CG 4.39Å; F550-L560 HydrophobicContact CZ-CB 4.04Å; F550-F572 AromaticContact CD1-CD1 3.98Å; F550-F572 HydrophobicContact CD1-CD1 3.98Å; F550-F572 HydrophobicContact CD1-CE1 4.13Å; F550-F572 HydrophobicContact CE1-CD1 4.02Å; F550-F574 AromaticContact CD1-CE2 3.62Å; F550-F574 HydrophobicContact CD1-CE2 3.62Å; F550-F574 AromaticContact CD1-CZ 3.44Å; F550-F574 HydrophobicContact CD1-CZ 3.44Å; F550-F574 VanDerWaalsContact CD1-CZ 3.44Å; F550-F574 AromaticContact CE1-CE2 3.53Å; F550-F574 HydrophobicContact CE1-CE2 3.53Å; F550-F574 AromaticContact CE1-CZ 3.66Å; F550-F574 HydrophobicContact CE1-CZ 3.66Å; F550-F574 HydrophobicContact CG-CE2 4.2Å; F550-F574 HydrophobicContact CG-CZ 4.24Å; F550-F574 HydrophobicContact CZ-CE2 4.06Å; F550-A575 HydrophobicContact CE1-CB 4.28Å; F550-A575 HydrophobicContact CZ-CB 4.05Å |
| 551 | A | 82.5 | Confident | 84.4 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -29.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | A547 A548 E553 F574 | A547-A551 PolarHBondContact O-N 2.96Å; A548-A551 WeakPolarHBondContact O-CB 3.21Å; A548-A551 PolarHBondContact O-N 3.38Å; A551-E553 PolarHBondContact O-N 3.35Å; A551-F574 HydrophobicContact CB-CD1 4.24Å; A551-F574 HydrophobicContact CB-CE1 3.68Å; A551-F574 HydrophobicContact CB-CE2 4.2Å; A551-F574 HydrophobicContact CB-CZ 3.64Å |
| 552 | E | 82.4 | Confident | 85.4 | Confident | 87 Ų | 87 | 51 Ų | 51 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | trans | -61.2 | 121.1 | 178.9 | -75.1 | 179.1 | -161.7 | 0 | 0 | 113.3 | K505 A548 T555 G556 | K505-E552 WeakPolarHBondContact CE-O 3.35Å; K505-E552 PolarHBondContact NZ-O 3.17Å; A548-E552 PolarHBondContact O-N 3.33Å; E552-T555 PolarHBondContact OE2-OG1 3.31Å; E552-G556 VanDerWaalsContact O-CA 3.27Å; E552-G556 WeakPolarHBondContact O-CA 3.16Å; E552-G556 PolarHBondContact O-N 2.87Å | ||
| 553 | E | 78.9 | Confident | 85.8 | Confident | 173 Ų | 173 | 46.5 Ų | 46.5 | 81% | 0.808 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -50.5 | -175.6 | -65.6 | -173.1 | 167.3 | 0 | 0 | 114 | A551 | A551-E553 PolarHBondContact O-N 3.35Š|
| 554 | D | 77 | Confident | 86.2 | Confident | 141 Ų | 141 | 46.7 Ų | 46.7 | 75% | 0.754 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -50.5 | -170.5 | -69.6 | -40.7 | 0 | 0 | 0 | 113.8 | R530 | R530-D554 PolarHBondContact NH1-O 3.32Å; R530-D554 PolarHBondContact NH2-O 2.91Å |
| 555 | T | 81.3 | Confident | 86.5 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 57% | 0.571 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -11 | -174.4 | 46.1 | 0 | 0 | 0 | 0 | 113.6 | R530 W549 E552 | R530-T555 PolarHBondContact NH1-O 3.31Å; W549-T555 PolarHBondContact NE1-O 2.9Å; E552-T555 PolarHBondContact OE2-OG1 3.31Å |
| 556 | G | 86.2 | Confident | 86.1 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -72.9 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R530 W549 E552 | R530-G556 PolarHBondContact NH1-O 3.27Å; W549-G556 CarbonylContact O-C 3.07Å; W549-G556 WeakPolarHBondContact O-CA 3.49Å; E552-G556 VanDerWaalsContact O-CA 3.27Å; E552-G556 WeakPolarHBondContact O-CA 3.16Å; E552-G556 PolarHBondContact O-N 2.87Å |
| 557 | A | 91.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -67.4 | 138.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | K505 R530 A532 W549 | K505-A557 PolarHBondContact NZ-O 2.85Å; R530-A557 CarbonylContact O-C 3.5Å; R530-A557 WeakPolarHBondContact O-CA 3.46Å; A532-A557 HydrophobicContact CB-CB 3.76Å; W549-A557 HydrophobicContact CD2-CB 3.92Å; W549-A557 HydrophobicContact CE3-CB 3.78Å; W549-A557 HydrophobicContact CH2-CB 4.08Å; W549-A557 HydrophobicContact CZ2-CB 4.22Å; W549-A557 HydrophobicContact CZ3-CB 3.87Å; W549-A557 PolarHBondContact O-N 3.46Å | ||
| 558 | Q | 94.5 | Very high | 84.7 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -74.1 | -33 | 174.5 | -174.4 | -170.2 | -8.8 | 0 | 0 | 111.2 | L498 H501 Q504 K505 V506 R530 | L498-Q558 PolarHBondContact O-NE2 2.83Å; H501-Q558 PolarHBondContact O-NE2 3.25Å; Q504-Q558 WeakPolarHBondContact O-CG 3.1Å; K505-Q558 WeakPolarHBondContact CA-O 3.47Å; V506-Q558 PolarHBondContact N-O 2.89Å; R530-Q558 PolarHBondContact O-N 3.34Å |
| 559 | V | 95.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.9 | -172.2 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | L498 V506 V508 L523 I529 A531 A532 L561 | L498-V559 HydrophobicContact CD1-CB 4.27Å; L498-V559 HydrophobicContact CD1-CG1 4.16Å; L498-V559 HydrophobicContact CD1-CG2 4.31Å; L498-V559 HydrophobicContact CD2-CB 4.03Å; L498-V559 HydrophobicContact CD2-CG2 4.26Å; V506-V559 HydrophobicContact CB-CG2 4.3Å; V506-V559 VanDerWaalsContact O-CA 3.26Å; V506-V559 WeakPolarHBondContact O-CA 3.41Å; V506-V559 WeakPolarHBondContact O-CG2 3.21Å; V508-V559 HydrophobicContact CB-CG2 4.49Å; V508-V559 HydrophobicContact CG2-CG2 3.45Å; V508-V559 VanDerWaalsContact CG2-CG2 3.45Å; L523-V559 HydrophobicContact CD1-CG1 3.98Å; I529-V559 HydrophobicContact CG2-CG1 4.14Å; A531-V559 WeakPolarHBondContact CA-O 3.39Å; A531-V559 HydrophobicContact CB-CG1 3.48Å; A531-V559 VanDerWaalsContact CB-CG1 3.48Å; A532-V559 PolarHBondContact N-O 3.38Å; V559-L561 HydrophobicContact CG2-CD2 4Å; V559-L561 HydrophobicContact CG2-CG 4.4Å |
| 560 | L | 94.8 | Very high | 83 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.5 | 169.7 | -174.5 | 67.3 | 0 | 0 | 0 | 109.2 | V506 L507 V508 A532 F534 F550 F572 | V506-L560 PolarHBondContact O-N 3.32Å; L507-L560 HydrophobicContact CD1-CB 4.11Å; L507-L560 HydrophobicContact CD1-CD2 3.95Å; L507-L560 HydrophobicContact CD1-CG 4.23Å; V508-L560 PolarHBondContact N-O 2.82Å; A532-L560 HydrophobicContact CB-CD1 3.52Å; F534-L560 HydrophobicContact CB-CD1 4.11Å; F534-L560 HydrophobicContact CB-CG 4.4Å; F550-L560 HydrophobicContact CB-CB 4.18Å; F550-L560 HydrophobicContact CB-CD1 4.31Å; F550-L560 HydrophobicContact CD1-CB 3.6Å; F550-L560 HydrophobicContact CD1-CD2 3.75Å; F550-L560 HydrophobicContact CD1-CG 4.23Å; F550-L560 HydrophobicContact CD2-CB 3.81Å; F550-L560 HydrophobicContact CE1-CB 3.84Å; F550-L560 HydrophobicContact CE1-CD2 4.26Å; F550-L560 HydrophobicContact CE2-CB 4.03Å; F550-L560 HydrophobicContact CG-CB 3.6Å; F550-L560 HydrophobicContact CG-CD2 4.32Å; F550-L560 HydrophobicContact CG-CG 4.39Å; F550-L560 HydrophobicContact CZ-CB 4.04Å; L560-F572 HydrophobicContact CD2-CD1 4.38Å; L560-F572 HydrophobicContact CD2-CE1 3.51Å; L560-F572 HydrophobicContact CD2-CE2 4.23Å; L560-F572 HydrophobicContact CD2-CZ 3.42Å; L560-F572 VanDerWaalsContact CD2-CZ 3.42Å |
| 561 | L | 95.8 | Very high | 82 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 107.8 | 179.9 | -59.4 | 169.4 | 0 | 0 | 0 | 109.3 | V508 A516 L519 E520 L523 A531 A532 V533 F534 V559 | V508-L561 HydrophobicContact CB-CD2 3.65Å; V508-L561 HydrophobicContact CG1-CD2 4Å; V508-L561 HydrophobicContact CG2-CD2 3.77Å; A516-L561 HydrophobicContact CB-CB 4.28Å; L519-L561 HydrophobicContact CB-CD1 4.02Å; L519-L561 HydrophobicContact CB-CD2 4.24Å; E520-L561 HydrophobicContact CB-CD1 3.64Å; L523-L561 HydrophobicContact CD1-CD1 4.19Å; L523-L561 HydrophobicContact CD1-CD2 4.28Å; A531-L561 HydrophobicContact CB-CD1 4.05Å; A532-L561 PolarHBondContact O-N 3.28Å; V533-L561 CarbonylContact C-O 3.48Å; V533-L561 WeakPolarHBondContact CA-O 3.32Å; V533-L561 HydrophobicContact CG1-CB 4.34Å; F534-L561 PolarHBondContact N-O 3.11Å; V559-L561 HydrophobicContact CG2-CD2 4Å; V559-L561 HydrophobicContact CG2-CG 4.4Å |
| 562 | C | 93 | Very high | 82 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.5 | -175.7 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | L507 V508 I509 C510 F534 | L507-C562 VanDerWaalsContact CD1-SG 3.56Å; V508-C562 PolarHBondContact O-N 3.48Å; I509-C562 HydrophobicContact CG1-CB 4.49Å; C510-C562 PolarHBondContact N-O 2.95Å; F534-C562 CarbonylContact O-C 3.51Å; F534-C562 VanDerWaalsContact O-CA 3.23Å; F534-C562 WeakPolarHBondContact O-CA 3.42Å |
| 563 | S | 91.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -76 | -176.2 | 153.6 | 74.8 | 0 | 0 | 0 | 0 | 110.2 | C510 F534 H535 E536 I565 G566 | C510-S563 CarbonylContact O-C 3.6Å; C510-S563 WeakPolarHBondContact O-CA 3.3Å; F534-S563 PolarHBondContact O-N 3.26Å; H535-S563 WeakPolarHBondContact CA-OG 3.44Å; E536-S563 VanDerWaalsContact OE2-CB 3.22Å; E536-S563 WeakPolarHBondContact OE2-CB 3.43Å; E536-S563 PolarHBondContact OE2-OG 3.02Å; S563-I565 PolarHBondContact O-N 3.49Å; S563-I565 VanDerWaalsContact OG-CG2 3.25Å; S563-I565 WeakPolarHBondContact OG-CG2 3.34Å; S563-G566 PolarHBondContact O-N 3.48Å | ||
| 564 | E | 87.4 | Confident | 81.8 | Confident | 41 Ų | 41 | 28.7 Ų | 28.7 | 19% | 0.192 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -54.4 | -25.9 | 178 | -162.6 | 66.4 | -111.1 | 0 | 0 | 112.9 | C510 G566 S567 L589 R593 | C510-E564 PolarHBondContact O-N 2.98Å; E564-G566 PolarHBondContact O-N 3.02Å; E564-S567 WeakPolarHBondContact O-CB 3.48Å; E564-S567 PolarHBondContact O-N 3.47Å; E564-S567 PolarHBondContact O-OG 3.4Å; E564-S567 VanDerWaalsContact O-OG 3.06Å; E564-S567 PolarHBondContact OE1-OG 3.2Å; E564-L589 HydrophobicContact CG-CD1 4.27Å; E564-L589 HydrophobicContact CG-CD2 3.91Å; E564-L589 WeakPolarHBondContact OE1-CD1 3.19Å; E564-L589 WeakPolarHBondContact OE1-CD2 3.18Å; E564-L589 WeakPolarHBondContact OE1-CG 3.36Å; E564-R593 IonicContact OE1-CZ 2.79Å; E564-R593 IonicContact OE1-NE 3.4Å; E564-R593 PolarHBondContact OE1-NE 2.85Å; E564-R593 IonicContact OE1-NH2 2.83Å; E564-R593 PolarHBondContact OE1-NH2 2.9Å; E564-R593 IonicContact OE2-CZ 4Å; E564-R593 IonicContact OE2-NE 3.55Å; E564-R593 IonicContact OE2-NH2 2.65Å; E564-R593 PolarHBondContact OE2-NH2 2.92Å |
| 565 | I | 79.8 | Confident | 82.4 | Confident | 26 Ų | 26 | 22 Ų | 22 | 13% | 0.133 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -62.3 | -23.8 | 176.6 | -159.8 | 61.4 | 0 | 0 | 0 | 113.2 | T210 F534 S563 S567 E568 | T210-I565 HydrophobicContact CG2-CD1 3.32Å; F534-I565 HydrophobicContact CD1-CG2 3.75Å; F534-I565 HydrophobicContact CE1-CG2 3.89Å; S563-I565 PolarHBondContact O-N 3.49Å; S563-I565 VanDerWaalsContact OG-CG2 3.25Å; S563-I565 WeakPolarHBondContact OG-CG2 3.34Å; I565-S567 PolarHBondContact O-N 2.95Å; I565-E568 PolarHBondContact O-N 2.8Å; I565-E568 VanDerWaalsContact O-O 3.05Å |
| 566 | G | 74.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -72.8 | -12.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S563 E564 E568 R596 | S563-G566 PolarHBondContact O-N 3.48Å; E564-G566 PolarHBondContact O-N 3.02Å; G566-E568 PolarHBondContact O-N 2.83Å; G566-R596 VanDerWaalsContact O-CD 3.28Å; G566-R596 WeakPolarHBondContact O-CD 3.38Å |
| 567 | S | 68.1 | Low | 83.4 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -73 | -4.8 | 166.6 | -47 | 0 | 0 | 0 | 0 | 112.1 | E564 I565 R593 R596 | E564-S567 WeakPolarHBondContact O-CB 3.48Å; E564-S567 PolarHBondContact O-N 3.47Å; E564-S567 PolarHBondContact O-OG 3.4Å; E564-S567 VanDerWaalsContact O-OG 3.06Å; E564-S567 PolarHBondContact OE1-OG 3.2Å; I565-S567 PolarHBondContact O-N 2.95Å; S567-R593 WeakPolarHBondContact OG-CG 2.91Å; S567-R596 VanDerWaalsContact C-CZ 3.48Å; S567-R596 PolarHBondContact O-NE 3.39Å; S567-R596 PolarHBondContact O-NH2 2.78Å |
| 568 | E | 69.4 | Low | 83.6 | Confident | 58 Ų | 58 | 19.2 Ų | 19.2 | 27% | 0.271 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -124.8 | 148.7 | -179.1 | -67.4 | -179.7 | -160.9 | 0 | 0 | 111.4 | T210 L211 I565 G566 R570 R596 | T210-E568 VanDerWaalsContact CB-OE2 3.23Å; T210-E568 WeakPolarHBondContact CB-OE2 3.35Å; T210-E568 WeakPolarHBondContact CG2-OE2 3.36Å; T210-E568 PolarHBondContact OG1-OE2 3.44Å; L211-E568 HydrophobicContact CD2-CB 4.47Å; I565-E568 PolarHBondContact O-N 2.8Å; I565-E568 VanDerWaalsContact O-O 3.05Å; G566-E568 PolarHBondContact O-N 2.83Å; E568-R570 PolarHBondContact O-N 2.77Å; E568-R596 VanDerWaalsContact CA-CZ 3.44Å |
| 569 | G | 61.2 | Low | 83.7 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 89.4 | -23.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | Q214 | Q214-G569 WeakPolarHBondContact CB-O 3.36Å; Q214-G569 VanDerWaalsContact CD-C 3.47Å; Q214-G569 WeakPolarHBondContact CG-O 3.42Å; Q214-G569 PolarHBondContact OE1-O 3.1Å |
| 570 | R | 68 | Low | 83.7 | Confident | 34 Ų | 34 | 18.1 Ų | 18.1 | 13% | 0.128 | 9% | 0.087 | C | C | . | . | trans | -134.1 | 154.5 | -178.2 | -71 | -71.4 | 141 | 148 | 3.6 | 115.4 | H213 F534 D544 E568 F572 R596 R599 | H213-R570 PolarHBondContact O-NH2 2.83Å; H213-R570 VanDerWaalsContact O-NH2 3.15Å; F534-R570 HydrophobicContact CE2-CG 4.46Å; F534-R570 HydrophobicContact CZ-CG 4.46Å; D544-R570 IonicContact OD1-CZ 2.67Å; D544-R570 IonicContact OD1-NH1 3.91Å; D544-R570 PolarHBondContact OD1-NH1 3Å; D544-R570 IonicContact OD1-NH2 3.22Å; E568-R570 PolarHBondContact O-N 2.77Å; R570-F572 HydrophobicContact CB-CE1 4.17Å; R570-F572 HydrophobicContact CB-CE2 3.84Å; R570-F572 HydrophobicContact CB-CZ 3.63Å; R570-F572 HydrophobicContact CG-CZ 4.46Å; R570-R596 PolarHBondContact O-NH1 3.46Å; R570-R599 PolarHBondContact O-NH2 2.91Å | ||
| 571 | N | 68.8 | Low | 83.7 | Confident | 45 Ų | 45 | 18.1 Ų | 18.1 | 24% | 0.241 | 9% | 0.088 | C | C | . | . | trans | -94.6 | 121.9 | 174.4 | -172.2 | 10 | 0 | 0 | 0 | 110.1 | Q573 | N571-Q573 PolarHBondContact ND2-OE1 3Å; N571-Q573 WeakPolarHBondContact OD1-CG 3.1Å; N571-Q573 PolarHBondContact OD1-N 3Å; N571-Q573 PolarHBondContact OD1-OE1 2.81Å | ||
| 572 | F | 81.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | trans | -120.5 | 29.9 | 179.3 | -60.6 | -64.7 | 0 | 0 | 0 | 112 | L507 A547 F550 L560 R570 F574 A575 R596 L597 | L507-F572 HydrophobicContact CD1-CD2 4.43Å; L507-F572 HydrophobicContact CD1-CE2 4.4Å; L507-F572 HydrophobicContact CD2-CD2 3.92Å; L507-F572 HydrophobicContact CD2-CE2 4.48Å; A547-F572 HydrophobicContact CB-CE1 4.14Å; F550-F572 AromaticContact CD1-CD1 3.98Å; F550-F572 HydrophobicContact CD1-CD1 3.98Å; F550-F572 HydrophobicContact CD1-CE1 4.13Å; F550-F572 HydrophobicContact CE1-CD1 4.02Å; L560-F572 HydrophobicContact CD2-CD1 4.38Å; L560-F572 HydrophobicContact CD2-CE1 3.51Å; L560-F572 HydrophobicContact CD2-CE2 4.23Å; L560-F572 HydrophobicContact CD2-CZ 3.42Å; L560-F572 VanDerWaalsContact CD2-CZ 3.42Å; R570-F572 HydrophobicContact CB-CE1 4.17Å; R570-F572 HydrophobicContact CB-CE2 3.84Å; R570-F572 HydrophobicContact CB-CZ 3.63Å; R570-F572 HydrophobicContact CG-CZ 4.46Å; F572-F574 HydrophobicContact CB-CE1 4.49Å; F572-F574 AromaticContact CD1-CE1 3.95Å; F572-F574 HydrophobicContact CD1-CE1 3.95Å; F572-F574 AromaticContact CD1-CZ 3.82Å; F572-F574 HydrophobicContact CD1-CZ 3.82Å; F572-F574 PolarHBondContact O-N 3.12Å; F572-A575 WeakPolarHBondContact O-CA 3.36Å; F572-A575 WeakPolarHBondContact O-CB 3.45Å; F572-A575 PolarHBondContact O-N 3.04Å; F572-R596 HydrophobicContact CD2-CB 4.3Å; F572-R596 PolarHBondContact N-O 2.81Å; F572-L597 HydrophobicContact CB-CD2 3.61Å; F572-L597 WeakPolarHBondContact O-CD2 3.3Å | ||
| 573 | Q | 76.6 | Confident | 83.6 | Confident | 42 Ų | 42 | 18.6 Ų | 18.6 | 20% | 0.196 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.7 | -179.7 | -82.1 | 172.5 | -52.3 | 0 | 0 | 115 | N571 A575 R599 I600 Q602 | N571-Q573 PolarHBondContact ND2-OE1 3Å; N571-Q573 WeakPolarHBondContact OD1-CG 3.1Å; N571-Q573 PolarHBondContact OD1-N 3Å; N571-Q573 PolarHBondContact OD1-OE1 2.81Å; Q573-A575 PolarHBondContact O-N 3.15Å; Q573-R599 HydrophobicContact CG-CB 4Å; Q573-R599 VanDerWaalsContact NE2-C 3.3Å; Q573-R599 VanDerWaalsContact NE2-CB 3.28Å; Q573-R599 PolarHBondContact NE2-O 2.81Å; Q573-I600 VanDerWaalsContact NE2-C 3.33Å; Q573-I600 PolarHBondContact NE2-O 2.98Å; Q573-Q602 HydrophobicContact CG-CB 4.47Å; Q573-Q602 PolarHBondContact O-NE2 2.93Å; Q573-Q602 PolarHBondContact O-OE1 2.79Å |
| 574 | F | 81.4 | Confident | 83.6 | Confident | 90 Ų | 90 | 18.7 Ų | 18.7 | 40% | 0.395 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.1 | 172.2 | 62.9 | -97.4 | 0 | 0 | 0 | 113.1 | K505 F550 A551 F572 | K505-F574 HydrophobicContact CB-CD2 4.41Å; K505-F574 HydrophobicContact CB-CE2 4.45Å; K505-F574 HydrophobicContact CG-CD2 4.3Å; K505-F574 HydrophobicContact CG-CE2 4.44Å; F550-F574 AromaticContact CD1-CE2 3.62Å; F550-F574 HydrophobicContact CD1-CE2 3.62Å; F550-F574 AromaticContact CD1-CZ 3.44Å; F550-F574 HydrophobicContact CD1-CZ 3.44Å; F550-F574 VanDerWaalsContact CD1-CZ 3.44Å; F550-F574 AromaticContact CE1-CE2 3.53Å; F550-F574 HydrophobicContact CE1-CE2 3.53Å; F550-F574 AromaticContact CE1-CZ 3.66Å; F550-F574 HydrophobicContact CE1-CZ 3.66Å; F550-F574 HydrophobicContact CG-CE2 4.2Å; F550-F574 HydrophobicContact CG-CZ 4.24Å; F550-F574 HydrophobicContact CZ-CE2 4.06Å; A551-F574 HydrophobicContact CB-CD1 4.24Å; A551-F574 HydrophobicContact CB-CE1 3.68Å; A551-F574 HydrophobicContact CB-CE2 4.2Å; A551-F574 HydrophobicContact CB-CZ 3.64Å; F572-F574 HydrophobicContact CB-CE1 4.49Å; F572-F574 AromaticContact CD1-CE1 3.95Å; F572-F574 HydrophobicContact CD1-CE1 3.95Å; F572-F574 AromaticContact CD1-CZ 3.82Å; F572-F574 HydrophobicContact CD1-CZ 3.82Å; F572-F574 PolarHBondContact O-N 3.12Å |
| 575 | A | 89.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | trans | -98.6 | 140 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | K505 F550 F572 Q573 L597 Q602 | K505-A575 HydrophobicContact CB-CB 3.89Å; F550-A575 HydrophobicContact CE1-CB 4.28Å; F550-A575 HydrophobicContact CZ-CB 4.05Å; F572-A575 WeakPolarHBondContact O-CA 3.36Å; F572-A575 WeakPolarHBondContact O-CB 3.45Å; F572-A575 PolarHBondContact O-N 3.04Å; Q573-A575 PolarHBondContact O-N 3.15Å; A575-L597 HydrophobicContact CB-CD2 4.04Å; A575-Q602 PolarHBondContact O-NE2 3.24Å; A575-Q602 VanDerWaalsContact O-NE2 3.16Å | ||
| 576 | S | 92 | Very high | 83.8 | Confident | 19 Ų | 19 | 18.9 Ų | 18.9 | 13% | 0.133 | 9% | 0.092 | C | C | . | . | trans | -116 | -6.7 | 174.8 | 58 | 0 | 0 | 0 | 0 | 112.9 | I606 Q607 | S576-I606 WeakPolarHBondContact O-CA 3.23Å; S576-Q607 PolarHBondContact O-N 2.86Å | ||
| 577 | H | 96.6 | Very high | 84.5 | Confident | 16 Ų | 16 | 19.1 Ų | 19.1 | 7% | 0.074 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.3 | -178.2 | -66.7 | -100.1 | 0 | 0 | 0 | 111.3 | Y497 Q504 V506 L507 Q607 H609 | Y497-H577 AromaticContact CZ-ND1 3.98Å; Y497-H577 PolarHBondContact OH-CE1 3.26Å; Y497-H577 VanDerWaalsContact OH-CE1 3.25Å; Y497-H577 PolarHBondContact OH-ND1 3.31Å; Q504-H577 PolarHBondContact NE2-NE2 2.79Å; Q504-H577 VanDerWaalsContact NE2-NE2 3.13Å; Q504-H577 PolarHBondContact OE1-CE1 3.24Å; Q504-H577 PolarHBondContact OE1-NE2 3.29Å; V506-H577 WeakPolarHBondContact CA-O 3.41Å; V506-H577 HydrophobicContact CG1-CB 4.46Å; V506-H577 HydrophobicContact CG2-CB 4.08Å; L507-H577 PolarHBondContact N-O 2.7Å; H577-Q607 WeakPolarHBondContact ND1-CB 3.25Å; H577-H609 AromaticContact ND1-NE2 3.51Å |
| 578 | M | 95.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.9 | 174.8 | -177.6 | 171.2 | -73.9 | 0 | 0 | 110.3 | L507 I509 M580 R593 R596 L597 Q607 H609 | L507-M578 HydrophobicContact CD2-CE 3.85Å; L507-M578 CarbonylContact O-C 3.53Å; L507-M578 WeakPolarHBondContact O-CA 3.49Å; I509-M578 HydrophobicContact CD1-CE 4.1Å; I509-M578 HydrophobicContact CD1-SD 4.32Å; M578-M580 HydrophobicContact CG-CG 4.35Å; M578-M580 HydrophobicContact SD-CG 4.3Å; M578-R593 WeakPolarHBondContact CE-O 3.25Å; M578-R593 HydrophobicContact SD-CB 4.5Å; M578-R596 HydrophobicContact CE-CB 4.17Å; M578-L597 HydrophobicContact CB-CD1 3.74Å; M578-L597 HydrophobicContact CE-CD1 4.17Å; M578-L597 HydrophobicContact CE-CG 3.78Å; M578-Q607 PolarHBondContact N-O 3.08Å; M578-H609 PolarHBondContact O-CD2 3.37Å; M578-H609 PolarHBondContact O-N 3.13Å |
| 579 | V | 97.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.2 | 168.8 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | W493 L494 V506 L507 V508 I509 F581 H609 P611 | W493-V579 HydrophobicContact CH2-CG1 4.13Å; W493-V579 HydrophobicContact CH2-CG2 4.1Å; W493-V579 HydrophobicContact CZ3-CG1 3.74Å; W493-V579 HydrophobicContact CZ3-CG2 4.35Å; L494-V579 HydrophobicContact CD1-CG1 4.39Å; L494-V579 HydrophobicContact CD1-CG2 4.16Å; V506-V579 HydrophobicContact CG1-CG2 3.58Å; L507-V579 PolarHBondContact O-N 3.02Å; V508-V579 CarbonylContact C-O 3.51Å; V508-V579 VanDerWaalsContact CA-O 3.3Å; V508-V579 WeakPolarHBondContact CA-O 3.48Å; V508-V579 HydrophobicContact CB-CB 4.34Å; V508-V579 HydrophobicContact CG1-CB 4.19Å; V508-V579 HydrophobicContact CG1-CG1 4.23Å; V508-V579 HydrophobicContact CG2-CB 3.99Å; V508-V579 HydrophobicContact CG2-CG2 4.28Å; I509-V579 PolarHBondContact N-O 3.2Å; V579-F581 PolarHBondContact O-N 3.46Å; V579-H609 WeakPolarHBondContact CA-O 3.35Å; V579-H609 HydrophobicContact CG2-CB 4.1Å; V579-P611 HydrophobicContact CG1-CG 4.14Å |
| 580 | M | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 95.9 | 169.2 | -75.2 | -177.9 | -70.7 | 0 | 0 | 108.4 | M578 D582 L583 L590 I608 H609 V610 P611 F632 | M578-M580 HydrophobicContact CG-CG 4.35Å; M578-M580 HydrophobicContact SD-CG 4.3Å; M580-D582 PolarHBondContact O-N 3.49Å; M580-L583 HydrophobicContact CB-CD2 4.11Å; M580-L583 HydrophobicContact CE-CD2 4.02Å; M580-L583 HydrophobicContact SD-CD2 3.83Å; M580-L590 HydrophobicContact CE-CD1 3.94Å; M580-L590 HydrophobicContact SD-CD1 3.4Å; M580-L590 WeakPolarHBondContact SD-CD1 3.49Å; M580-I608 HydrophobicContact CE-CG2 3.24Å; M580-H609 PolarHBondContact N-O 3.37Å; M580-V610 HydrophobicContact CE-CG2 3.59Å; M580-P611 WeakPolarHBondContact O-CD 3.45Å; M580-F632 HydrophobicContact CE-CD1 3.71Å; M580-F632 HydrophobicContact CE-CE1 3.39Å; M580-F632 HydrophobicContact SD-CE1 4.41Å |
| 581 | F | 94.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -63.6 | -27.6 | -177.9 | -168.2 | -96.4 | 0 | 0 | 0 | 112.2 | W484 R490 V491 V508 I509 T515 L519 V579 | W484-F581 AromaticContact CH2-CE1 4Å; W484-F581 HydrophobicContact CH2-CE1 4Å; W484-F581 AromaticContact CH2-CZ 3.87Å; W484-F581 HydrophobicContact CH2-CZ 3.87Å; W484-F581 HydrophobicContact CZ3-CE1 4.29Å; W484-F581 AromaticContact CZ3-CZ 3.92Å; W484-F581 HydrophobicContact CZ3-CZ 3.92Å; R490-F581 HydrophobicContact CB-CE2 3.71Å; R490-F581 HydrophobicContact CB-CZ 4.02Å; R490-F581 PolarHBondContact NH1-O 3.2Å; V491-F581 HydrophobicContact CG2-CE2 4.39Å; V491-F581 HydrophobicContact CG2-CZ 4.25Å; V508-F581 HydrophobicContact CG1-CB 4.18Å; I509-F581 PolarHBondContact O-N 2.73Å; T515-F581 HydrophobicContact CG2-CD1 3.87Å; T515-F581 HydrophobicContact CG2-CE1 3.75Å; L519-F581 HydrophobicContact CD1-CD1 4.37Å; L519-F581 HydrophobicContact CD1-CD2 3.91Å; L519-F581 HydrophobicContact CD1-CE1 4.48Å; L519-F581 HydrophobicContact CD1-CE2 4.03Å; L519-F581 HydrophobicContact CD1-CG 4.09Å; L519-F581 HydrophobicContact CD1-CZ 4.32Å; L519-F581 HydrophobicContact CD2-CE2 3.98Å; L519-F581 HydrophobicContact CD2-CZ 4.15Å; V579-F581 PolarHBondContact O-N 3.46Å |
| 582 | D | 92.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -140.2 | 165.4 | 167.5 | 54.1 | 73.2 | 0 | 0 | 0 | 109.3 | Y469 C510 A511 M580 R593 | Y469-D582 HydrophobicContact CD1-CB 4.21Å; Y469-D582 HydrophobicContact CE1-CB 3.88Å; C510-D582 VanDerWaalsContact CA-OD2 3.26Å; C510-D582 WeakPolarHBondContact CA-OD2 3.33Å; A511-D582 VanDerWaalsContact CB-OD1 3.28Å; A511-D582 WeakPolarHBondContact CB-OD1 3.46Å; A511-D582 VanDerWaalsContact N-CG 3.27Å; A511-D582 PolarHBondContact N-OD1 2.85Å; A511-D582 VanDerWaalsContact N-OD1 3.07Å; A511-D582 PolarHBondContact N-OD2 2.79Å; M580-D582 PolarHBondContact O-N 3.49Å; D582-R593 PolarHBondContact O-NH1 3.36Å; D582-R593 IonicContact OD1-CZ 3.55Å; D582-R593 IonicContact OD1-NH1 3.98Å; D582-R593 IonicContact OD1-NH2 3.53Å; D582-R593 PolarHBondContact OD1-NH2 2.77Å; D582-R593 VanDerWaalsContact OD1-NH2 3.09Å |
| 583 | L | 93.6 | Very high | 89.6 | Confident | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 9% | 0.09 | C | C | . | . | trans | -108.4 | 141.4 | 177.8 | -70.1 | 177.1 | 0 | 0 | 0 | 110.9 | M580 L590 V610 L621 V622 Y625 F632 | M580-L583 HydrophobicContact CB-CD2 4.11Å; M580-L583 HydrophobicContact CE-CD2 4.02Å; M580-L583 HydrophobicContact SD-CD2 3.83Å; L583-L590 HydrophobicContact CD2-CD1 4.33Å; L583-V610 HydrophobicContact CD1-CG1 4.09Å; L583-V610 HydrophobicContact CD2-CG1 3.93Å; L583-V610 HydrophobicContact CG-CG1 4.04Å; L583-L621 HydrophobicContact CB-CD2 3.74Å; L583-L621 HydrophobicContact CB-CG 4.27Å; L583-L621 HydrophobicContact CD1-CB 4.42Å; L583-L621 HydrophobicContact CD1-CG 4.27Å; L583-V622 HydrophobicContact CD1-CB 4.25Å; L583-V622 HydrophobicContact CD1-CG2 3.44Å; L583-V622 VanDerWaalsContact CD1-CG2 3.44Å; L583-Y625 HydrophobicContact CD1-CD2 4.2Å; L583-F632 HydrophobicContact CD1-CZ 3.96Å; L583-F632 HydrophobicContact CD2-CE1 3.75Å; L583-F632 HydrophobicContact CD2-CZ 3.75Å | ||
| 584 | P | 90.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.013 | 8% | 0.08 | C | C | . | . | trans | -75.8 | 155 | 176.5 | 34.7 | -34.5 | 0 | 0 | 0 | 110.9 | L589 L590 Y625 | P584-L589 HydrophobicContact CB-CB 3.96Å; P584-L589 HydrophobicContact CB-CD2 3.69Å; P584-L589 HydrophobicContact CB-CG 3.86Å; P584-L589 HydrophobicContact CG-CB 4.24Å; P584-L589 HydrophobicContact CG-CG 4.35Å; P584-L590 HydrophobicContact CG-CB 3.84Å; P584-Y625 WeakPolarHBondContact O-CE2 3.34Å; P584-Y625 PolarHBondContact O-OH 3.32Å | ||
| 585 | F | 87 | Confident | 90.5 | Very high | 33 Ų | 33 | 12 Ų | 12 | 15% | 0.145 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -70.7 | -39.3 | 175.4 | -86.7 | -88.3 | 0 | 0 | 0 | 113.4 | A464 R465 L468 Y625 Y643 I651 L654 | A464-F585 HydrophobicContact CB-CE1 4.37Å; A464-F585 HydrophobicContact CB-CZ 4.37Å; R465-F585 HydrophobicContact CB-CE2 4.13Å; R465-F585 HydrophobicContact CB-CZ 4.2Å; R465-F585 HydrophobicContact CG-CD2 4.49Å; R465-F585 HydrophobicContact CG-CE2 3.6Å; R465-F585 HydrophobicContact CG-CZ 3.69Å; L468-F585 HydrophobicContact CD1-CD1 4.4Å; L468-F585 HydrophobicContact CD1-CD2 3.55Å; L468-F585 HydrophobicContact CD1-CE1 4.02Å; L468-F585 HydrophobicContact CD1-CE2 3.09Å; L468-F585 HydrophobicContact CD1-CG 4.19Å; L468-F585 HydrophobicContact CD1-CZ 3.33Å; L468-F585 HydrophobicContact CG-CE2 4.08Å; L468-F585 HydrophobicContact CG-CZ 4Å; F585-Y625 VanDerWaalsContact C-OH 3.28Å; F585-Y625 PolarHBondContact O-OH 3.24Å; F585-Y625 VanDerWaalsContact O-OH 3.06Å; F585-Y643 WeakPolarHBondContact O-CE2 3.26Å; F585-I651 HydrophobicContact CE1-CD1 4.07Å; F585-L654 HydrophobicContact CD1-CD1 4.12Å; F585-L654 HydrophobicContact CE1-CD1 3.64Å |
| 586 | N | 86 | Confident | 90.3 | Very high | 38 Ų | 38 | 12.8 Ų | 12.8 | 20% | 0.203 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -88.2 | 124.6 | -176.8 | -173.9 | 4.3 | 0 | 0 | 0 | 110.1 | D588 L589 L590 Y625 R640 | N586-D588 PolarHBondContact ND2-OD2 3.36Å; N586-D588 VanDerWaalsContact ND2-OD2 3.13Å; N586-D588 PolarHBondContact O-N 2.92Å; N586-D588 PolarHBondContact OD1-N 2.92Å; N586-D588 PolarHBondContact OD1-OD2 2.92Å; N586-L589 HydrophobicContact CB-CB 4.42Å; N586-L589 WeakPolarHBondContact O-CB 3.49Å; N586-L589 PolarHBondContact O-N 2.87Å; N586-L589 VanDerWaalsContact O-N 3.08Å; N586-L590 PolarHBondContact O-N 2.77Å; N586-Y625 VanDerWaalsContact C-OH 3.28Å; N586-Y625 PolarHBondContact O-OH 3.32Å; N586-R640 PolarHBondContact ND2-NH1 2.8Å; N586-R640 VanDerWaalsContact ND2-NH1 3.12Å |
| 587 | P | 89.4 | Confident | 90.2 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 3% | 0.032 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -52.7 | -33 | 172.3 | -24.5 | 29.1 | 0 | 0 | 0 | 114.6 | L589 L590 E591 W624 Y625 L629 Y643 | P587-L589 VanDerWaalsContact C-N 3.28Å; P587-L589 PolarHBondContact O-N 3.22Å; P587-L590 WeakPolarHBondContact O-CB 3.47Å; P587-L590 PolarHBondContact O-N 2.78Å; P587-L590 VanDerWaalsContact O-N 3.16Å; P587-E591 PolarHBondContact O-N 3.29Å; P587-W624 HydrophobicContact CG-CH2 3.96Å; P587-W624 HydrophobicContact CG-CZ3 4.13Å; P587-Y625 HydrophobicContact CB-CE1 3.9Å; P587-Y625 HydrophobicContact CG-CE1 3.79Å; P587-L629 HydrophobicContact CG-CD1 4.12Å; P587-Y643 HydrophobicContact CG-CD2 4.47Å; P587-Y643 HydrophobicContact CG-CG 4.38Å |
| 588 | D | 84.1 | Confident | 89.8 | Confident | 32 Ų | 32 | 11.2 Ų | 11.2 | 17% | 0.171 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 179.2 | -52.8 | -32.2 | 0 | 0 | 0 | 111.4 | N586 L590 E591 Q592 R640 | N586-D588 PolarHBondContact ND2-OD2 3.36Å; N586-D588 VanDerWaalsContact ND2-OD2 3.13Å; N586-D588 PolarHBondContact O-N 2.92Å; N586-D588 PolarHBondContact OD1-N 2.92Å; N586-D588 PolarHBondContact OD1-OD2 2.92Å; D588-L590 VanDerWaalsContact C-N 3.33Å; D588-E591 PolarHBondContact O-N 3.39Å; D588-Q592 VanDerWaalsContact O-CG 3.31Å; D588-Q592 WeakPolarHBondContact O-CG 3.44Å; D588-Q592 PolarHBondContact O-N 2.76Å; D588-R640 WeakPolarHBondContact OD2-CD 3.49Å |
| 589 | L | 85.4 | Confident | 89.3 | Confident | 36 Ų | 36 | 13 Ų | 13 | 19% | 0.188 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.9 | -32.3 | 177.7 | -171.2 | 57.8 | 0 | 0 | 0 | 111.1 | E564 P584 N586 P587 Q592 R593 | E564-L589 HydrophobicContact CG-CD1 4.27Å; E564-L589 HydrophobicContact CG-CD2 3.91Å; E564-L589 WeakPolarHBondContact OE1-CD1 3.19Å; E564-L589 WeakPolarHBondContact OE1-CD2 3.18Å; E564-L589 WeakPolarHBondContact OE1-CG 3.36Å; P584-L589 HydrophobicContact CB-CB 3.96Å; P584-L589 HydrophobicContact CB-CD2 3.69Å; P584-L589 HydrophobicContact CB-CG 3.86Å; P584-L589 HydrophobicContact CG-CB 4.24Å; P584-L589 HydrophobicContact CG-CG 4.35Å; N586-L589 HydrophobicContact CB-CB 4.42Å; N586-L589 WeakPolarHBondContact O-CB 3.49Å; N586-L589 PolarHBondContact O-N 2.87Å; N586-L589 VanDerWaalsContact O-N 3.08Å; P587-L589 VanDerWaalsContact C-N 3.28Å; P587-L589 PolarHBondContact O-N 3.22Å; L589-Q592 PolarHBondContact O-N 2.88Å; L589-R593 WeakPolarHBondContact O-CB 3.48Å; L589-R593 VanDerWaalsContact O-CG 3.27Å; L589-R593 WeakPolarHBondContact O-CG 3.22Å; L589-R593 PolarHBondContact O-N 3.02Å |
| 590 | L | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 171 | 176.6 | 65.2 | 0 | 0 | 0 | 110.9 | M580 L583 P584 N586 P587 D588 Q592 R593 I594 Y625 A631 F632 | M580-L590 HydrophobicContact CE-CD1 3.94Å; M580-L590 HydrophobicContact SD-CD1 3.4Å; M580-L590 WeakPolarHBondContact SD-CD1 3.49Å; L583-L590 HydrophobicContact CD2-CD1 4.33Å; P584-L590 HydrophobicContact CG-CB 3.84Å; N586-L590 PolarHBondContact O-N 2.77Å; P587-L590 WeakPolarHBondContact O-CB 3.47Å; P587-L590 PolarHBondContact O-N 2.78Å; P587-L590 VanDerWaalsContact O-N 3.16Å; D588-L590 VanDerWaalsContact C-N 3.33Å; L590-Q592 VanDerWaalsContact C-N 3.34Å; L590-Q592 PolarHBondContact O-N 2.84Å; L590-R593 WeakPolarHBondContact O-CB 3.27Å; L590-R593 PolarHBondContact O-N 2.92Å; L590-I594 HydrophobicContact CD1-CD1 4.18Å; L590-I594 HydrophobicContact CG-CD1 4.14Å; L590-I594 WeakPolarHBondContact O-CG1 3.48Å; L590-I594 PolarHBondContact O-N 2.92Å; L590-Y625 HydrophobicContact CB-CE1 4.47Å; L590-Y625 HydrophobicContact CD2-CD1 3.47Å; L590-Y625 VanDerWaalsContact CD2-CD1 3.47Å; L590-Y625 HydrophobicContact CD2-CD2 4.07Å; L590-Y625 HydrophobicContact CD2-CE1 3.69Å; L590-Y625 HydrophobicContact CD2-CE2 4.24Å; L590-Y625 HydrophobicContact CD2-CG 3.69Å; L590-A631 HydrophobicContact CD2-CB 3.84Å; L590-F632 HydrophobicContact CD1-CD1 4.17Å; L590-F632 HydrophobicContact CD1-CE1 3.7Å; L590-F632 HydrophobicContact CD2-CD1 4.29Å; L590-F632 HydrophobicContact CD2-CE1 4Å; L590-F632 HydrophobicContact CD2-CZ 4.39Å; L590-F632 HydrophobicContact CG-CE1 4.46Å |
| 591 | E | 87.7 | Confident | 87.8 | Confident | 22 Ų | 22 | 17 Ų | 17 | 10% | 0.103 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 177.8 | -172.9 | 59.1 | -139.3 | 0 | 0 | 111.5 | R431 P587 D588 R593 I594 G595 T635 | R431-E591 IonicContact CZ-OE1 3.89Å; R431-E591 IonicContact CZ-OE2 2.76Å; R431-E591 IonicContact NH1-OE1 3.95Å; R431-E591 PolarHBondContact NH1-OE1 2.81Å; R431-E591 IonicContact NH1-OE2 3.64Å; R431-E591 PolarHBondContact NH1-OE2 2.97Å; R431-E591 IonicContact NH2-OE1 3.92Å; R431-E591 PolarHBondContact NH2-OE1 2.74Å; R431-E591 IonicContact NH2-OE2 3.88Å; P587-E591 PolarHBondContact O-N 3.29Å; D588-E591 PolarHBondContact O-N 3.39Å; E591-R593 PolarHBondContact O-N 3.08Å; E591-I594 PolarHBondContact O-N 2.91Å; E591-G595 PolarHBondContact O-N 2.94Å; E591-T635 WeakPolarHBondContact OE1-CG2 3.4Å |
| 592 | Q | 85 | Confident | 87.4 | Confident | 35 Ų | 35 | 17.4 Ų | 17.4 | 16% | 0.164 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 173.3 | -74.7 | 174.7 | -9.7 | 0 | 0 | 112.8 | D588 L589 L590 | D588-Q592 VanDerWaalsContact O-CG 3.31Å; D588-Q592 WeakPolarHBondContact O-CG 3.44Å; D588-Q592 PolarHBondContact O-N 2.76Å; L589-Q592 PolarHBondContact O-N 2.88Å; L590-Q592 VanDerWaalsContact C-N 3.34Å; L590-Q592 PolarHBondContact O-N 2.84Å |
| 593 | R | 89.9 | Confident | 87 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -56.5 | 172.9 | -77 | 174.6 | 177.8 | -153.6 | 6.9 | 110.1 | I509 E564 S567 M578 D582 L589 L590 E591 G595 R596 | I509-R593 HydrophobicContact CD1-CB 3.89Å; I509-R593 HydrophobicContact CD1-CG 3.77Å; I509-R593 HydrophobicContact CG2-CG 4.24Å; E564-R593 IonicContact OE1-CZ 2.79Å; E564-R593 IonicContact OE1-NE 3.4Å; E564-R593 PolarHBondContact OE1-NE 2.85Å; E564-R593 IonicContact OE1-NH2 2.83Å; E564-R593 PolarHBondContact OE1-NH2 2.9Å; E564-R593 IonicContact OE2-CZ 4Å; E564-R593 IonicContact OE2-NE 3.55Å; E564-R593 IonicContact OE2-NH2 2.65Å; E564-R593 PolarHBondContact OE2-NH2 2.92Å; S567-R593 WeakPolarHBondContact OG-CG 2.91Å; M578-R593 WeakPolarHBondContact CE-O 3.25Å; M578-R593 HydrophobicContact SD-CB 4.5Å; D582-R593 PolarHBondContact O-NH1 3.36Å; D582-R593 IonicContact OD1-CZ 3.55Å; D582-R593 IonicContact OD1-NH1 3.98Å; D582-R593 IonicContact OD1-NH2 3.53Å; D582-R593 PolarHBondContact OD1-NH2 2.77Å; D582-R593 VanDerWaalsContact OD1-NH2 3.09Å; L589-R593 WeakPolarHBondContact O-CB 3.48Å; L589-R593 VanDerWaalsContact O-CG 3.27Å; L589-R593 WeakPolarHBondContact O-CG 3.22Å; L589-R593 PolarHBondContact O-N 3.02Å; L590-R593 WeakPolarHBondContact O-CB 3.27Å; L590-R593 PolarHBondContact O-N 2.92Å; E591-R593 PolarHBondContact O-N 3.08Å; R593-G595 VanDerWaalsContact C-N 3.31Å; R593-G595 PolarHBondContact O-N 3.44Å; R593-R596 VanDerWaalsContact O-CB 3.22Å; R593-R596 WeakPolarHBondContact O-CB 3.4Å; R593-R596 VanDerWaalsContact O-CG 3.29Å; R593-R596 WeakPolarHBondContact O-CG 3.34Å; R593-R596 PolarHBondContact O-N 2.76Å; R593-R596 VanDerWaalsContact O-N 3.08Å |
| 594 | I | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | -178.6 | -63 | 168.6 | 0 | 0 | 0 | 111 | L590 E591 R596 L597 D598 I608 F632 | L590-I594 HydrophobicContact CD1-CD1 4.18Å; L590-I594 HydrophobicContact CG-CD1 4.14Å; L590-I594 WeakPolarHBondContact O-CG1 3.48Å; L590-I594 PolarHBondContact O-N 2.92Å; E591-I594 PolarHBondContact O-N 2.91Å; I594-R596 PolarHBondContact O-N 2.84Å; I594-L597 PolarHBondContact O-N 3.37Å; I594-D598 HydrophobicContact CG2-CB 3.87Å; I594-D598 WeakPolarHBondContact O-CB 3.35Å; I594-D598 PolarHBondContact O-N 2.99Å; I594-I608 HydrophobicContact CD1-CD1 3.95Å; I594-I608 HydrophobicContact CG1-CD1 4.04Å; I594-I608 HydrophobicContact CG2-CD1 4.09Å; I594-F632 HydrophobicContact CD1-CD1 4.44Å |
| 595 | G | 86.1 | Confident | 87 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -2.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E591 R593 R599 | E591-G595 PolarHBondContact O-N 2.94Å; R593-G595 VanDerWaalsContact C-N 3.31Å; R593-G595 PolarHBondContact O-N 3.44Å; G595-R599 WeakPolarHBondContact O-CG 2.99Å; G595-R599 PolarHBondContact O-NE 2.89Å |
| 596 | R | 85.5 | Confident | 87.3 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -36.3 | 167.9 | -67.5 | -66.4 | 138.4 | -164.1 | -1.6 | 113.3 | L507 G566 S567 E568 R570 F572 M578 R593 I594 | L507-R596 HydrophobicContact CD2-CB 3.99Å; G566-R596 VanDerWaalsContact O-CD 3.28Å; G566-R596 WeakPolarHBondContact O-CD 3.38Å; S567-R596 VanDerWaalsContact C-CZ 3.48Å; S567-R596 PolarHBondContact O-NE 3.39Å; S567-R596 PolarHBondContact O-NH2 2.78Å; E568-R596 VanDerWaalsContact CA-CZ 3.44Å; R570-R596 PolarHBondContact O-NH1 3.46Å; F572-R596 HydrophobicContact CD2-CB 4.3Å; F572-R596 PolarHBondContact N-O 2.81Å; M578-R596 HydrophobicContact CE-CB 4.17Å; R593-R596 VanDerWaalsContact O-CB 3.22Å; R593-R596 WeakPolarHBondContact O-CB 3.4Å; R593-R596 VanDerWaalsContact O-CG 3.29Å; R593-R596 WeakPolarHBondContact O-CG 3.34Å; R593-R596 PolarHBondContact O-N 2.76Å; R593-R596 VanDerWaalsContact O-N 3.08Å; I594-R596 PolarHBondContact O-N 2.84Å |
| 597 | L | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -32.1 | 175.2 | -52.7 | -168 | 0 | 0 | 0 | 111 | L507 F572 A575 M578 I594 R599 Q602 I606 | L507-L597 HydrophobicContact CB-CD2 4.44Å; L507-L597 HydrophobicContact CD2-CD2 3.91Å; L507-L597 HydrophobicContact CD2-CG 4.43Å; F572-L597 HydrophobicContact CB-CD2 3.61Å; F572-L597 WeakPolarHBondContact O-CD2 3.3Å; A575-L597 HydrophobicContact CB-CD2 4.04Å; M578-L597 HydrophobicContact CB-CD1 3.74Å; M578-L597 HydrophobicContact CE-CD1 4.17Å; M578-L597 HydrophobicContact CE-CG 3.78Å; I594-L597 PolarHBondContact O-N 3.37Å; L597-R599 PolarHBondContact O-N 2.88Å; L597-Q602 PolarHBondContact O-NE2 2.82Å; L597-I606 HydrophobicContact CB-CG2 4.2Å; L597-I606 HydrophobicContact CD1-CG2 4.39Å |
| 598 | D | 88.1 | Confident | 88.2 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | trans | -89.9 | 83.5 | -173.7 | -163.2 | 0.4 | 0 | 0 | 0 | 113 | R422 R431 I594 I606 | R422-D598 IonicContact CZ-OD1 3.1Å; R422-D598 IonicContact CZ-OD2 2.76Å; R422-D598 IonicContact NH1-OD1 3.8Å; R422-D598 PolarHBondContact NH1-OD1 2.98Å; R422-D598 VanDerWaalsContact NH1-OD1 3.15Å; R422-D598 IonicContact NH1-OD2 3.46Å; R422-D598 PolarHBondContact NH1-OD2 2.99Å; R422-D598 PolarHBondContact NH2-O 3.44Å; R422-D598 IonicContact NH2-OD1 3.35Å; R422-D598 IonicContact NH2-OD2 3.91Å; R431-D598 IonicContact CZ-OD2 2.84Å; R431-D598 IonicContact NE-OD2 2.95Å; R431-D598 PolarHBondContact NE-OD2 3.47Å; R431-D598 IonicContact NH2-OD2 2.96Å; R431-D598 PolarHBondContact NH2-OD2 3.21Å; I594-D598 HydrophobicContact CG2-CB 3.87Å; I594-D598 WeakPolarHBondContact O-CB 3.35Å; I594-D598 PolarHBondContact O-N 2.99Å; D598-I606 HydrophobicContact CB-CD1 3.14Å; D598-I606 WeakPolarHBondContact OD1-CD1 3.28Å | ||
| 599 | R | 85.4 | Confident | 88.9 | Confident | 38 Ų | 38 | 26.5 Ų | 26.5 | 14% | 0.143 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -137.3 | 155.7 | -179.1 | -60.8 | -174.2 | 177.6 | -170.2 | -2.7 | 110.2 | G180 R570 Q573 G595 L597 G601 Q602 | G180-R599 WeakPolarHBondContact O-CA 3.42Å; R570-R599 PolarHBondContact O-NH2 2.91Å; Q573-R599 HydrophobicContact CG-CB 4Å; Q573-R599 VanDerWaalsContact NE2-C 3.3Å; Q573-R599 VanDerWaalsContact NE2-CB 3.28Å; Q573-R599 PolarHBondContact NE2-O 2.81Å; G595-R599 WeakPolarHBondContact O-CG 2.99Å; G595-R599 PolarHBondContact O-NE 2.89Å; L597-R599 PolarHBondContact O-N 2.88Å; R599-G601 PolarHBondContact O-N 2.96Å; R599-Q602 VanDerWaalsContact O-CB 3.29Å; R599-Q602 WeakPolarHBondContact O-CB 3.09Å; R599-Q602 PolarHBondContact O-N 3.44Å |
| 600 | I | 82.9 | Confident | 89.5 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.138 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 127.3 | 177.3 | -170.2 | 158.7 | 0 | 0 | 0 | 111.5 | I155 G180 V425 F428 Q573 | I155-I600 HydrophobicContact CD1-CB 4.41Å; I155-I600 HydrophobicContact CD1-CD1 3.9Å; I155-I600 HydrophobicContact CD1-CG1 3.9Å; I155-I600 HydrophobicContact CD1-CG2 3.66Å; I155-I600 HydrophobicContact CG1-CD1 4.46Å; I155-I600 HydrophobicContact CG2-CD1 3.76Å; G180-I600 PolarHBondContact O-N 2.95Å; V425-I600 HydrophobicContact CG1-CD1 3.62Å; F428-I600 HydrophobicContact CE1-CB 4.27Å; F428-I600 HydrophobicContact CE2-CB 4.31Å; F428-I600 HydrophobicContact CZ-CB 3.83Å; Q573-I600 VanDerWaalsContact NE2-C 3.33Å; Q573-I600 PolarHBondContact NE2-O 2.98Å |
| 601 | G | 79 | Confident | 89.7 | Confident | 56 Ų | 56 | 25 Ų | 25 | 58% | 0.577 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97 | -0 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R599 A603 | R599-G601 PolarHBondContact O-N 2.96Å; G601-A603 PolarHBondContact O-N 3.18Å |
| 602 | Q | 85.4 | Confident | 90.1 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | trans | -65.2 | 121.5 | 168.3 | 174.7 | 60.5 | -98.5 | 0 | 0 | 109.9 | P429 Q573 A575 L597 R599 H604 I606 | P429-Q602 HydrophobicContact CG-CB 3.98Å; P429-Q602 HydrophobicContact CG-CG 3.62Å; Q573-Q602 HydrophobicContact CG-CB 4.47Å; Q573-Q602 PolarHBondContact O-NE2 2.93Å; Q573-Q602 PolarHBondContact O-OE1 2.79Å; A575-Q602 PolarHBondContact O-NE2 3.24Å; A575-Q602 VanDerWaalsContact O-NE2 3.16Å; L597-Q602 PolarHBondContact O-NE2 2.82Å; R599-Q602 VanDerWaalsContact O-CB 3.29Å; R599-Q602 WeakPolarHBondContact O-CB 3.09Å; R599-Q602 PolarHBondContact O-N 3.44Å; Q602-H604 VanDerWaalsContact CG-O 3.24Å; Q602-H604 WeakPolarHBondContact CG-O 3.47Å; Q602-H604 VanDerWaalsContact OE1-N 3.16Å; Q602-I606 HydrophobicContact CG-CD1 4.39Å; Q602-I606 HydrophobicContact CG-CG1 4.2Å | ||
| 603 | A | 83.1 | Confident | 90.6 | Very high | 87 Ų | 87 | 23.6 Ų | 23.6 | 72% | 0.719 | 14% | 0.14 | S | C | * | . | trans | -85.9 | -17.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G601 | G601-A603 PolarHBondContact O-N 3.18Š| ||
| 604 | H | 90.5 | Very high | 90.7 | Very high | 115 Ų | 115 | 26.4 Ų | 26.4 | 53% | 0.532 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -121.5 | 146 | -174.6 | -57.9 | 95 | 0 | 0 | 0 | 112.1 | P429 Q602 I606 | P429-H604 WeakPolarHBondContact CB-O 3.29Å; P429-H604 WeakPolarHBondContact CG-O 3.35Å; Q602-H604 VanDerWaalsContact CG-O 3.24Å; Q602-H604 WeakPolarHBondContact CG-O 3.47Å; Q602-H604 VanDerWaalsContact OE1-N 3.16Å; H604-I606 PolarHBondContact O-N 2.9Å |
| 605 | D | 94.1 | Very high | 90.6 | Very high | 68 Ų | 68 | 34 Ų | 34 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | trans | -56.5 | 136.4 | 169 | -68.5 | -23.7 | 0 | 0 | 0 | 111 | P429 K430 Q607 | P429-D605 WeakPolarHBondContact CB-OD1 3.38Å; K430-D605 PolarHBondContact N-OD1 3.45Å; K430-D605 CarbonylContact O-C 3.49Å; K430-D605 WeakPolarHBondContact O-CA 3.37Å; D605-Q607 PolarHBondContact O-NE2 2.95Å | ||
| 606 | I | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.5 | -169 | -56.9 | 175 | 0 | 0 | 0 | 108.6 | P429 K430 E432 S576 L597 D598 Q602 H604 I608 | P429-I606 HydrophobicContact CG-CD1 4.07Å; P429-I606 HydrophobicContact CG-CG1 4Å; K430-I606 PolarHBondContact O-N 2.78Å; E432-I606 PolarHBondContact N-O 3.42Å; S576-I606 WeakPolarHBondContact O-CA 3.23Å; L597-I606 HydrophobicContact CB-CG2 4.2Å; L597-I606 HydrophobicContact CD1-CG2 4.39Å; D598-I606 HydrophobicContact CB-CD1 3.14Å; D598-I606 WeakPolarHBondContact OD1-CD1 3.28Å; Q602-I606 HydrophobicContact CG-CD1 4.39Å; Q602-I606 HydrophobicContact CG-CG1 4.2Å; H604-I606 PolarHBondContact O-N 2.9Å; I606-I608 HydrophobicContact CG2-CG1 4.02Å |
| 607 | Q | 97.1 | Very high | 91.2 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 102.7 | -173.6 | -55.3 | -65.2 | -47.6 | 0 | 0 | 108.4 | E432 H434 S576 H577 M578 D605 H609 | E432-Q607 PolarHBondContact OE2-NE2 3.11Å; E432-Q607 PolarHBondContact OE2-OE1 3.44Å; H434-Q607 PolarHBondContact NE2-OE1 3.07Å; S576-Q607 PolarHBondContact O-N 2.86Å; H577-Q607 WeakPolarHBondContact ND1-CB 3.25Å; M578-Q607 PolarHBondContact N-O 3.08Å; D605-Q607 PolarHBondContact O-NE2 2.95Å; Q607-H609 PolarHBondContact O-CD2 3.17Å; Q607-H609 VanDerWaalsContact O-CD2 3.29Å |
| 608 | I | 97.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 105.3 | -175.2 | -57.4 | 177.3 | 0 | 0 | 0 | 109.3 | R431 E432 L433 H434 M580 I594 I606 V610 F632 | R431-I608 HydrophobicContact CB-CD1 4.07Å; R431-I608 HydrophobicContact CG-CD1 4.43Å; E432-I608 PolarHBondContact O-N 3.14Å; L433-I608 HydrophobicContact CD1-CG2 4.21Å; H434-I608 PolarHBondContact N-O 3.2Å; M580-I608 HydrophobicContact CE-CG2 3.24Å; I594-I608 HydrophobicContact CD1-CD1 3.95Å; I594-I608 HydrophobicContact CG1-CD1 4.04Å; I594-I608 HydrophobicContact CG2-CD1 4.09Å; I606-I608 HydrophobicContact CG2-CG1 4.02Å; I608-V610 HydrophobicContact CG2-CG2 4.01Å; I608-F632 VanDerWaalsContact CD1-O 3.24Å; I608-F632 WeakPolarHBondContact CD1-O 3.45Å; I608-F632 HydrophobicContact CG2-CD1 4.2Å |
| 609 | H | 98.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.2 | -179.7 | -56.9 | -86.7 | 0 | 0 | 0 | 110.7 | H434 I436 W493 Y497 H577 M578 V579 M580 Q607 P611 | H434-H609 AromaticContact CD2-CE1 3.64Å; H434-H609 AromaticContact CG-CE1 3.84Å; H434-H609 AromaticContact CG-ND1 3.9Å; H434-H609 WeakPolarHBondContact O-CA 3.49Å; I436-H609 HydrophobicContact CD1-CB 3.88Å; W493-H609 HydrophobicContact CH2-CB 3.63Å; W493-H609 HydrophobicContact CZ2-CB 4.1Å; Y497-H609 AromaticContact CE2-CE1 3.7Å; Y497-H609 AromaticContact CZ-CE1 3.83Å; Y497-H609 AromaticContact CZ-NE2 3.85Å; Y497-H609 PolarHBondContact OH-NE2 3.18Å; H577-H609 AromaticContact ND1-NE2 3.51Å; M578-H609 PolarHBondContact O-CD2 3.37Å; M578-H609 PolarHBondContact O-N 3.13Å; V579-H609 WeakPolarHBondContact CA-O 3.35Å; V579-H609 HydrophobicContact CG2-CB 4.1Å; M580-H609 PolarHBondContact N-O 3.37Å; Q607-H609 PolarHBondContact O-CD2 3.17Å; Q607-H609 VanDerWaalsContact O-CD2 3.29Å; H609-P611 WeakPolarHBondContact O-CD 3.43Å |
| 610 | V | 97.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 88.4 | -178.5 | -169 | 0 | 0 | 0 | 0 | 110 | L433 H434 I436 M580 L583 I608 Y612 V622 F632 | L433-V610 HydrophobicContact CD1-CB 4.43Å; L433-V610 HydrophobicContact CD1-CG2 3.65Å; H434-V610 PolarHBondContact O-N 3.41Å; I436-V610 PolarHBondContact N-O 3.25Å; M580-V610 HydrophobicContact CE-CG2 3.59Å; L583-V610 HydrophobicContact CD1-CG1 4.09Å; L583-V610 HydrophobicContact CD2-CG1 3.93Å; L583-V610 HydrophobicContact CG-CG1 4.04Å; I608-V610 HydrophobicContact CG2-CG2 4.01Å; V610-Y612 PolarHBondContact O-N 2.95Å; V610-V622 HydrophobicContact CG1-CG2 3.77Å; V610-F632 HydrophobicContact CG2-CE1 4.06Å; V610-F632 HydrophobicContact CG2-CZ 4.39Å |
| 611 | P | 97.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.6 | 170.1 | 30.7 | -35.8 | 0 | 0 | 0 | 110.9 | I436 L438 R490 W493 V579 M580 H609 | I436-P611 HydrophobicContact CB-CB 4.34Å; I436-P611 WeakPolarHBondContact O-CA 3.35Å; L438-P611 HydrophobicContact CD1-CB 4Å; R490-P611 HydrophobicContact CB-CB 4.4Å; R490-P611 HydrophobicContact CG-CB 4.19Å; W493-P611 HydrophobicContact CE3-CB 3.9Å; W493-P611 HydrophobicContact CE3-CG 4.03Å; W493-P611 HydrophobicContact CZ3-CB 4.09Å; W493-P611 HydrophobicContact CZ3-CG 3.78Å; V579-P611 HydrophobicContact CG1-CG 4.14Å; M580-P611 WeakPolarHBondContact O-CD 3.45Å; H609-P611 WeakPolarHBondContact O-CD 3.43Å |
| 612 | Y | 95.7 | Very high | 93.4 | Very high | 28 Ų | 28 | 29 Ų | 29 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.7 | 179.5 | 72.4 | -86.7 | 0 | 0 | 0 | 112.2 | I436 K437 L438 V610 V622 | I436-Y612 PolarHBondContact O-N 2.94Å; K437-Y612 HydrophobicContact CB-CE1 4.06Å; K437-Y612 HydrophobicContact CB-CE2 4.38Å; K437-Y612 WeakPolarHBondContact CB-OH 3.38Å; K437-Y612 HydrophobicContact CG-CE2 3.96Å; K437-Y612 WeakPolarHBondContact CG-OH 3.24Å; L438-Y612 PolarHBondContact N-O 3.07Å; V610-Y612 PolarHBondContact O-N 2.95Å; Y612-V622 HydrophobicContact CD1-CG1 4.43Å; Y612-V622 HydrophobicContact CD1-CG2 4Å; Y612-V622 HydrophobicContact CE1-CG1 4.44Å; Y612-V622 HydrophobicContact CG-CG2 4Å |
| 613 | L | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.4 | 178.2 | -63.1 | 172.9 | 0 | 0 | 0 | 111.2 | L438 L440 Y444 P470 P489 R490 T616 | L438-L613 HydrophobicContact CB-CD2 4.14Å; L438-L613 CarbonylContact O-C 3.51Å; L438-L613 WeakPolarHBondContact O-CA 3.32Å; L440-L613 HydrophobicContact CD1-CB 4.28Å; L440-L613 HydrophobicContact CD1-CD1 4.15Å; Y444-L613 HydrophobicContact CD2-CD1 3.86Å; Y444-L613 HydrophobicContact CE2-CD1 3.97Å; P470-L613 HydrophobicContact CB-CD1 4.35Å; P470-L613 HydrophobicContact CG-CD1 4.03Å; P489-L613 HydrophobicContact CG-CD2 3.76Å; R490-L613 HydrophobicContact CG-CD2 4.23Å; R490-L613 HydrophobicContact CG-CG 4.43Å; L613-T616 HydrophobicContact CB-CG2 3.77Å; L613-T616 PolarHBondContact O-OG1 3.26Å |
| 614 | E | 92.5 | Very high | 94.5 | Very high | 60 Ų | 60 | 27.9 Ų | 27.9 | 28% | 0.28 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 144 | 176.8 | -70 | -170.8 | 171 | 0 | 0 | 112.5 | K437 L438 L440 T616 | K437-E614 HydrophobicContact CD-CG 4.22Å; K437-E614 VanDerWaalsContact CD-OE1 3.3Å; K437-E614 WeakPolarHBondContact CD-OE1 3.39Å; K437-E614 WeakPolarHBondContact CE-OE1 3.3Å; K437-E614 HydrophobicContact CG-CG 3.67Å; K437-E614 WeakPolarHBondContact CG-OE1 3.47Å; K437-E614 IonicContact NZ-OE1 3.75Å; K437-E614 PolarHBondContact NZ-OE1 2.81Å; L438-E614 WeakPolarHBondContact O-CG 3.22Å; L438-E614 PolarHBondContact O-N 3.03Å; L440-E614 WeakPolarHBondContact CB-O 3.42Å; E614-T616 PolarHBondContact O-N 2.84Å |
| 615 | K | 88.4 | Confident | 94.7 | Very high | 158 Ų | 158 | 22.4 Ų | 22.4 | 69% | 0.687 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 29.9 | 176.5 | -50.7 | 177.5 | -178.9 | 178.7 | 0 | 113.5 | ||
| 616 | T | 91.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -120.7 | 168.9 | 173.3 | 70.2 | 0 | 0 | 0 | 0 | 110.5 | L440 P470 L613 E614 Q618 S619 V620 P657 | L440-T616 HydrophobicContact CD1-CG2 3.64Å; L440-T616 HydrophobicContact CD2-CG2 4.09Å; L440-T616 HydrophobicContact CG-CG2 4.36Å; P470-T616 HydrophobicContact CG-CG2 4.48Å; L613-T616 HydrophobicContact CB-CG2 3.77Å; L613-T616 PolarHBondContact O-OG1 3.26Å; E614-T616 PolarHBondContact O-N 2.84Å; T616-Q618 PolarHBondContact O-N 3Å; T616-Q618 VanDerWaalsContact O-N 3.14Å; T616-Q618 WeakPolarHBondContact OG1-CB 3.44Å; T616-Q618 PolarHBondContact OG1-N 3.37Å; T616-S619 PolarHBondContact N-OG 3.11Å; T616-S619 PolarHBondContact O-N 3.41Å; T616-S619 PolarHBondContact O-OG 3.03Å; T616-V620 PolarHBondContact O-N 3.18Å; T616-P657 WeakPolarHBondContact O-CB 3.22Å |
| 617 | A | 92.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.2 | -29.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M467 L468 S619 V620 L621 L654 | M467-A617 HydrophobicContact CB-CB 3.72Å; L468-A617 HydrophobicContact CD2-CB 3.57Å; L468-A617 HydrophobicContact CG-CB 4.01Å; A617-S619 VanDerWaalsContact C-N 3.33Å; A617-S619 PolarHBondContact O-N 3.25Å; A617-V620 PolarHBondContact O-N 2.94Å; A617-L621 WeakPolarHBondContact O-CB 3.43Å; A617-L621 PolarHBondContact O-N 3.31Å; A617-L654 HydrophobicContact CB-CB 4.31Å; A617-L654 HydrophobicContact CB-CD2 3.99Å; A617-L654 WeakPolarHBondContact CB-O 3.19Å; A617-L654 WeakPolarHBondContact O-CD2 3.41Å |
| 618 | Q | 93.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.023 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 176 | -57.1 | 175.8 | -14.1 | 0 | 0 | 111.3 | L468 T616 V620 L621 V622 | L468-Q618 HydrophobicContact CD2-CG 4.26Å; L468-Q618 PolarHBondContact O-NE2 3.32Å; T616-Q618 PolarHBondContact O-N 3Å; T616-Q618 VanDerWaalsContact O-N 3.14Å; T616-Q618 WeakPolarHBondContact OG1-CB 3.44Å; T616-Q618 PolarHBondContact OG1-N 3.37Å; Q618-V620 VanDerWaalsContact C-N 3.33Å; Q618-V620 PolarHBondContact O-N 3.45Å; Q618-L621 PolarHBondContact O-N 3Å; Q618-V622 VanDerWaalsContact O-CG2 3.23Å; Q618-V622 WeakPolarHBondContact O-CG2 3.33Å; Q618-V622 PolarHBondContact O-N 3.46Å |
| 619 | S | 93.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 14% | 0.14 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.1 | -33.4 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | T616 A617 R623 | T616-S619 PolarHBondContact N-OG 3.11Å; T616-S619 PolarHBondContact O-N 3.41Å; T616-S619 PolarHBondContact O-OG 3.03Å; A617-S619 VanDerWaalsContact C-N 3.33Å; A617-S619 PolarHBondContact O-N 3.25Å; S619-R623 WeakPolarHBondContact O-CG 3.21Å; S619-R623 PolarHBondContact O-N 2.91Å |
| 620 | V | 94 | Very high | 94.3 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.036 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69 | -47.3 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | T616 A617 Q618 R623 W624 L654 P657 F663 | T616-V620 PolarHBondContact O-N 3.18Å; A617-V620 PolarHBondContact O-N 2.94Å; Q618-V620 VanDerWaalsContact C-N 3.33Å; Q618-V620 PolarHBondContact O-N 3.45Å; V620-R623 PolarHBondContact O-N 3.34Å; V620-W624 PolarHBondContact O-N 3.33Å; V620-L654 HydrophobicContact CB-CD2 3.95Å; V620-L654 HydrophobicContact CG1-CD2 3.83Å; V620-L654 HydrophobicContact CG1-CG 4.39Å; V620-P657 HydrophobicContact CG2-CB 3.82Å; V620-F663 HydrophobicContact CB-CZ 4.35Å; V620-F663 HydrophobicContact CG1-CD2 4.43Å; V620-F663 HydrophobicContact CG1-CE1 4.03Å; V620-F663 HydrophobicContact CG1-CE2 3.67Å; V620-F663 HydrophobicContact CG1-CZ 3.44Å; V620-F663 VanDerWaalsContact CG1-CZ 3.44Å; V620-F663 WeakPolarHBondContact O-CZ 3.29Å |
| 621 | L | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | -175.5 | -166.8 | 57.5 | 0 | 0 | 0 | 112.7 | L468 L583 A617 Q618 R623 W624 Y625 L654 | L468-L621 HydrophobicContact CD1-CD2 3.86Å; L468-L621 HydrophobicContact CD2-CB 4.38Å; L468-L621 HydrophobicContact CD2-CD2 3.75Å; L583-L621 HydrophobicContact CB-CD2 3.74Å; L583-L621 HydrophobicContact CB-CG 4.27Å; L583-L621 HydrophobicContact CD1-CB 4.42Å; L583-L621 HydrophobicContact CD1-CG 4.27Å; A617-L621 WeakPolarHBondContact O-CB 3.43Å; A617-L621 PolarHBondContact O-N 3.31Å; Q618-L621 PolarHBondContact O-N 3Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 3.12Å; L621-W624 HydrophobicContact CD1-CE3 3.98Å; L621-W624 HydrophobicContact CD1-CZ3 4.46Å; L621-W624 PolarHBondContact O-N 3.06Å; L621-Y625 HydrophobicContact CD1-CD2 3.87Å; L621-Y625 HydrophobicContact CD1-CE2 3.48Å; L621-Y625 VanDerWaalsContact CD1-CE2 3.48Å; L621-Y625 HydrophobicContact CD2-CE2 4.01Å; L621-Y625 HydrophobicContact CG-CD2 3.73Å; L621-Y625 HydrophobicContact CG-CE2 3.49Å; L621-Y625 VanDerWaalsContact CG-CE2 3.49Å; L621-Y625 VanDerWaalsContact O-CD2 3.29Å; L621-Y625 WeakPolarHBondContact O-CD2 3.33Å; L621-Y625 PolarHBondContact O-N 2.92Å; L621-L654 HydrophobicContact CB-CD2 3.94Å; L621-L654 HydrophobicContact CD1-CD2 4.45Å |
| 622 | V | 95.7 | Very high | 94 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.1 | -48.5 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | T435 L583 V610 Y612 Q618 H626 | T435-V622 HydrophobicContact CG2-CG1 3.95Å; L583-V622 HydrophobicContact CD1-CB 4.25Å; L583-V622 HydrophobicContact CD1-CG2 3.44Å; L583-V622 VanDerWaalsContact CD1-CG2 3.44Å; V610-V622 HydrophobicContact CG1-CG2 3.77Å; Y612-V622 HydrophobicContact CD1-CG1 4.43Å; Y612-V622 HydrophobicContact CD1-CG2 4Å; Y612-V622 HydrophobicContact CE1-CG1 4.44Å; Y612-V622 HydrophobicContact CG-CG2 4Å; Q618-V622 VanDerWaalsContact O-CG2 3.23Å; Q618-V622 WeakPolarHBondContact O-CG2 3.33Å; Q618-V622 PolarHBondContact O-N 3.46Å; V622-H626 VanDerWaalsContact O-CB 3.31Å; V622-H626 WeakPolarHBondContact O-CB 3.18Å; V622-H626 PolarHBondContact O-N 3.46Å |
| 623 | R | 95 | Very high | 93.9 | Very high | 73 Ų | 73 | 27.3 Ų | 27.3 | 28% | 0.275 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -65.2 | -43.4 | -179.4 | -72.5 | -170.9 | 67.9 | -149.3 | -7.7 | 111.8 | S619 V620 L621 H626 E627 F663 D664 I667 | S619-R623 WeakPolarHBondContact O-CG 3.21Å; S619-R623 PolarHBondContact O-N 2.91Å; V620-R623 PolarHBondContact O-N 3.34Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 3.12Å; R623-H626 PolarHBondContact O-N 3.31Å; R623-E627 WeakPolarHBondContact CG-OE1 3.35Å; R623-E627 IonicContact CZ-OE1 2.96Å; R623-E627 IonicContact CZ-OE2 2.79Å; R623-E627 IonicContact NE-OE1 3.1Å; R623-E627 PolarHBondContact NE-OE1 3.1Å; R623-E627 IonicContact NE-OE2 3.28Å; R623-E627 PolarHBondContact NE-OE2 3.34Å; R623-E627 IonicContact NH2-OE1 3.52Å; R623-E627 IonicContact NH2-OE2 3.42Å; R623-E627 PolarHBondContact NH2-OE2 3.06Å; R623-E627 WeakPolarHBondContact O-CA 2.96Å; R623-E627 VanDerWaalsContact O-CB 3.23Å; R623-E627 WeakPolarHBondContact O-CB 3.22Å; R623-E627 PolarHBondContact O-N 3.49Å; R623-F663 HydrophobicContact CB-CE1 4.06Å; R623-D664 IonicContact CZ-OD1 2.79Å; R623-D664 IonicContact NH1-OD1 3.39Å; R623-D664 PolarHBondContact NH1-OD1 3.16Å; R623-D664 IonicContact NH2-OD1 3.13Å; R623-D664 PolarHBondContact NH2-OD1 2.95Å; R623-I667 HydrophobicContact CB-CD1 3.98Å |
| 624 | W | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -63.4 | -45.5 | 178.8 | -178.5 | 68 | 0 | 0 | 0 | 112.2 | P587 V620 L621 G628 L629 Y643 V646 L650 F663 C670 | P587-W624 HydrophobicContact CG-CH2 3.96Å; P587-W624 HydrophobicContact CG-CZ3 4.13Å; V620-W624 PolarHBondContact O-N 3.33Å; L621-W624 HydrophobicContact CD1-CE3 3.98Å; L621-W624 HydrophobicContact CD1-CZ3 4.46Å; L621-W624 PolarHBondContact O-N 3.06Å; W624-G628 CarbonylContact O-C 3.34Å; W624-G628 WeakPolarHBondContact O-CA 3.36Å; W624-G628 PolarHBondContact O-N 2.93Å; W624-L629 HydrophobicContact CD2-CD1 4.45Å; W624-L629 HydrophobicContact CE3-CD1 4.3Å; W624-L629 HydrophobicContact CH2-CD1 3.58Å; W624-L629 HydrophobicContact CZ2-CD1 3.75Å; W624-L629 HydrophobicContact CZ2-CG 4.29Å; W624-L629 HydrophobicContact CZ3-CD1 3.89Å; W624-L629 PolarHBondContact O-N 2.9Å; W624-L629 VanDerWaalsContact O-N 3.12Å; W624-Y643 AromaticContact CH2-CD2 3.69Å; W624-Y643 HydrophobicContact CH2-CD2 3.69Å; W624-Y643 HydrophobicContact CH2-CG 4.29Å; W624-Y643 HydrophobicContact CZ3-CD2 4.16Å; W624-V646 HydrophobicContact CZ2-CG2 3.9Å; W624-L650 HydrophobicContact CB-CD1 4.33Å; W624-L650 HydrophobicContact CD2-CD1 4.01Å; W624-L650 HydrophobicContact CD2-CD2 3.88Å; W624-L650 HydrophobicContact CE3-CD1 4.39Å; W624-L650 HydrophobicContact CE3-CD2 3.76Å; W624-L650 HydrophobicContact CG-CD1 3.98Å; W624-L650 HydrophobicContact CH2-CD2 3.79Å; W624-L650 HydrophobicContact CZ2-CD2 3.9Å; W624-L650 HydrophobicContact CZ3-CD2 3.71Å; W624-F663 HydrophobicContact CB-CZ 4.17Å; W624-C670 PolarHBondContact NE1-SG 3.2Å; W624-C670 VanDerWaalsContact NE1-SG 3.42Å |
| 625 | Y | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -64 | -41.9 | 176.7 | -81.7 | -54.8 | 0 | 0 | 0 | 113.4 | L583 P584 F585 N586 P587 L590 L621 L629 D630 A631 F632 | L583-Y625 HydrophobicContact CD1-CD2 4.2Å; P584-Y625 WeakPolarHBondContact O-CE2 3.34Å; P584-Y625 PolarHBondContact O-OH 3.32Å; F585-Y625 VanDerWaalsContact C-OH 3.28Å; F585-Y625 PolarHBondContact O-OH 3.24Å; F585-Y625 VanDerWaalsContact O-OH 3.06Å; N586-Y625 VanDerWaalsContact C-OH 3.28Å; N586-Y625 PolarHBondContact O-OH 3.32Å; P587-Y625 HydrophobicContact CB-CE1 3.9Å; P587-Y625 HydrophobicContact CG-CE1 3.79Å; L590-Y625 HydrophobicContact CB-CE1 4.47Å; L590-Y625 HydrophobicContact CD2-CD1 3.47Å; L590-Y625 VanDerWaalsContact CD2-CD1 3.47Å; L590-Y625 HydrophobicContact CD2-CD2 4.07Å; L590-Y625 HydrophobicContact CD2-CE1 3.69Å; L590-Y625 HydrophobicContact CD2-CE2 4.24Å; L590-Y625 HydrophobicContact CD2-CG 3.69Å; L621-Y625 HydrophobicContact CD1-CD2 3.87Å; L621-Y625 HydrophobicContact CD1-CE2 3.48Å; L621-Y625 VanDerWaalsContact CD1-CE2 3.48Å; L621-Y625 HydrophobicContact CD2-CE2 4.01Å; L621-Y625 HydrophobicContact CG-CD2 3.73Å; L621-Y625 HydrophobicContact CG-CE2 3.49Å; L621-Y625 VanDerWaalsContact CG-CE2 3.49Å; L621-Y625 VanDerWaalsContact O-CD2 3.29Å; L621-Y625 WeakPolarHBondContact O-CD2 3.33Å; L621-Y625 PolarHBondContact O-N 2.92Å; Y625-L629 HydrophobicContact CD1-CD1 4.13Å; Y625-L629 HydrophobicContact CE1-CD1 4.43Å; Y625-L629 CarbonylContact O-C 3.59Å; Y625-D630 WeakPolarHBondContact O-CA 3.38Å; Y625-D630 PolarHBondContact O-N 3.48Å; Y625-A631 HydrophobicContact CD1-CB 4.1Å; Y625-A631 PolarHBondContact O-N 2.86Å; Y625-F632 VanDerWaalsContact CB-CE2 3.4Å; Y625-F632 HydrophobicContact CD2-CZ 4.32Å; Y625-F632 HydrophobicContact CG-CE2 4.42Å; Y625-F632 HydrophobicContact CG-CZ 4.37Å |
| 626 | H | 96 | Very high | 93.1 | Very high | 60 Ų | 60 | 23 Ų | 23 | 28% | 0.278 | 11% | 0.111 | S | C | . | . | I | π-helix | trans | -80.1 | -56.6 | -177.9 | -176.7 | -153.8 | 0 | 0 | 0 | 112.2 | L433 V622 R623 D630 F632 R671 | L433-H626 HydrophobicContact CD2-CB 3.99Å; V622-H626 VanDerWaalsContact O-CB 3.31Å; V622-H626 WeakPolarHBondContact O-CB 3.18Å; V622-H626 PolarHBondContact O-N 3.46Å; R623-H626 PolarHBondContact O-N 3.31Å; H626-D630 VanDerWaalsContact O-CA 3.24Å; H626-D630 WeakPolarHBondContact O-CA 3.32Å; H626-D630 PolarHBondContact O-N 3.32Å; H626-D630 VanDerWaalsContact O-N 3.11Å; H626-F632 HydrophobicContact CB-CD2 3.87Å; H626-F632 HydrophobicContact CB-CE2 4.16Å; H626-R671 PolarHBondContact O-NH2 3.42Å |
| 627 | E | 95.6 | Very high | 92.5 | Very high | 78 Ų | 78 | 24.3 Ų | 24.3 | 36% | 0.364 | 12% | 0.12 | S | C | . | . | I | π-helix | trans | -82.8 | -31.2 | -172.1 | -57.9 | 170.5 | -148.9 | 0 | 0 | 112.4 | R623 I667 R671 | R623-E627 WeakPolarHBondContact CG-OE1 3.35Å; R623-E627 IonicContact CZ-OE1 2.96Å; R623-E627 IonicContact CZ-OE2 2.79Å; R623-E627 IonicContact NE-OE1 3.1Å; R623-E627 PolarHBondContact NE-OE1 3.1Å; R623-E627 IonicContact NE-OE2 3.28Å; R623-E627 PolarHBondContact NE-OE2 3.34Å; R623-E627 IonicContact NH2-OE1 3.52Å; R623-E627 IonicContact NH2-OE2 3.42Å; R623-E627 PolarHBondContact NH2-OE2 3.06Å; R623-E627 WeakPolarHBondContact O-CA 2.96Å; R623-E627 VanDerWaalsContact O-CB 3.23Å; R623-E627 WeakPolarHBondContact O-CB 3.22Å; R623-E627 PolarHBondContact O-N 3.49Å; E627-I667 HydrophobicContact CB-CD1 4.44Å; E627-I667 HydrophobicContact CB-CG2 3.57Å; E627-R671 VanDerWaalsContact O-CZ 3.25Å; E627-R671 PolarHBondContact O-NE 2.84Å; E627-R671 PolarHBondContact O-NH2 3.16Å |
| 628 | G | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -87 | -44.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W624 C670 R671 | W624-G628 CarbonylContact O-C 3.34Å; W624-G628 WeakPolarHBondContact O-CA 3.36Å; W624-G628 PolarHBondContact O-N 2.93Å; G628-C670 CarbonylContact O-C 3.54Å; G628-R671 VanDerWaalsContact O-CA 3.26Å; G628-R671 WeakPolarHBondContact O-CA 3.1Å; G628-R671 PolarHBondContact O-N 3.39Å |
| 629 | L | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -16.5 | -172.3 | -63.9 | -176.3 | 0 | 0 | 0 | 115.2 | P587 W624 Y625 A631 C636 I642 | P587-L629 HydrophobicContact CG-CD1 4.12Å; W624-L629 HydrophobicContact CD2-CD1 4.45Å; W624-L629 HydrophobicContact CE3-CD1 4.3Å; W624-L629 HydrophobicContact CH2-CD1 3.58Å; W624-L629 HydrophobicContact CZ2-CD1 3.75Å; W624-L629 HydrophobicContact CZ2-CG 4.29Å; W624-L629 HydrophobicContact CZ3-CD1 3.89Å; W624-L629 PolarHBondContact O-N 2.9Å; W624-L629 VanDerWaalsContact O-N 3.12Å; Y625-L629 HydrophobicContact CD1-CD1 4.13Å; Y625-L629 HydrophobicContact CE1-CD1 4.43Å; Y625-L629 CarbonylContact O-C 3.59Å; L629-A631 HydrophobicContact CB-CB 4.11Å; L629-A631 PolarHBondContact O-N 3.36Å; L629-C636 PolarHBondContact O-SG 3.49Å; L629-I642 HydrophobicContact CD2-CB 4.06Å; L629-I642 HydrophobicContact CD2-CD1 3.69Å; L629-I642 HydrophobicContact CD2-CG1 4.49Å; L629-I642 HydrophobicContact CD2-CG2 3.9Å |
| 630 | D | 92.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 26.1 Ų | 26.1 | 16% | 0.16 | 12% | 0.123 | C | C | . | . | trans | 48.6 | 35.7 | -168.8 | -166.2 | 26 | 0 | 0 | 0 | 114.3 | Y625 H626 F632 H634 | Y625-D630 WeakPolarHBondContact O-CA 3.38Å; Y625-D630 PolarHBondContact O-N 3.48Å; H626-D630 VanDerWaalsContact O-CA 3.24Å; H626-D630 WeakPolarHBondContact O-CA 3.32Å; H626-D630 PolarHBondContact O-N 3.32Å; H626-D630 VanDerWaalsContact O-N 3.11Å; D630-F632 VanDerWaalsContact C-N 3.28Å; D630-F632 PolarHBondContact O-N 2.91Å; D630-H634 PolarHBondContact O-N 3.21Å; D630-H634 VanDerWaalsContact O-N 3.16Å; D630-H634 IonicContact OD1-ND1 2.71Å; D630-H634 IonicContact OD2-CE1 3.89Å; D630-H634 PolarHBondContact OD2-CE1 3.49Å; D630-H634 IonicContact OD2-CG 3.25Å; D630-H634 IonicContact OD2-ND1 3.9Å; D630-H634 PolarHBondContact OD2-ND1 2.89Å | ||
| 631 | A | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L590 Y625 L629 H634 C636 | L590-A631 HydrophobicContact CD2-CB 3.84Å; Y625-A631 HydrophobicContact CD1-CB 4.1Å; Y625-A631 PolarHBondContact O-N 2.86Å; L629-A631 HydrophobicContact CB-CB 4.11Å; L629-A631 PolarHBondContact O-N 3.36Å; A631-H634 CarbonylContact C-O 3.51Å; A631-C636 HydrophobicContact CB-CB 3.78Å |
| 632 | F | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -44.8 | 176.1 | -66.2 | -67 | 0 | 0 | 0 | 112.1 | R431 L433 M580 L583 L590 I594 I608 V610 Y625 H626 D630 | R431-F632 WeakPolarHBondContact CB-O 3.41Å; R431-F632 WeakPolarHBondContact CD-O 3.5Å; L433-F632 HydrophobicContact CB-CB 4.19Å; L433-F632 HydrophobicContact CD1-CB 3.98Å; L433-F632 HydrophobicContact CD1-CD1 4.08Å; L433-F632 HydrophobicContact CD1-CD2 4.02Å; L433-F632 HydrophobicContact CD1-CG 3.77Å; L433-F632 HydrophobicContact CD2-CB 3.99Å; L433-F632 HydrophobicContact CD2-CD2 3.63Å; L433-F632 HydrophobicContact CD2-CE2 4.36Å; L433-F632 HydrophobicContact CD2-CG 4.01Å; L433-F632 HydrophobicContact CG-CB 4.26Å; L433-F632 HydrophobicContact CG-CD2 4.44Å; L433-F632 HydrophobicContact CG-CG 4.4Å; M580-F632 HydrophobicContact CE-CD1 3.71Å; M580-F632 HydrophobicContact CE-CE1 3.39Å; M580-F632 HydrophobicContact SD-CE1 4.41Å; L583-F632 HydrophobicContact CD1-CZ 3.96Å; L583-F632 HydrophobicContact CD2-CE1 3.75Å; L583-F632 HydrophobicContact CD2-CZ 3.75Å; L590-F632 HydrophobicContact CD1-CD1 4.17Å; L590-F632 HydrophobicContact CD1-CE1 3.7Å; L590-F632 HydrophobicContact CD2-CD1 4.29Å; L590-F632 HydrophobicContact CD2-CE1 4Å; L590-F632 HydrophobicContact CD2-CZ 4.39Å; L590-F632 HydrophobicContact CG-CE1 4.46Å; I594-F632 HydrophobicContact CD1-CD1 4.44Å; I608-F632 VanDerWaalsContact CD1-O 3.24Å; I608-F632 WeakPolarHBondContact CD1-O 3.45Å; I608-F632 HydrophobicContact CG2-CD1 4.2Å; V610-F632 HydrophobicContact CG2-CE1 4.06Å; V610-F632 HydrophobicContact CG2-CZ 4.39Å; Y625-F632 VanDerWaalsContact CB-CE2 3.4Å; Y625-F632 HydrophobicContact CD2-CZ 4.32Å; Y625-F632 HydrophobicContact CG-CE2 4.42Å; Y625-F632 HydrophobicContact CG-CZ 4.37Å; H626-F632 HydrophobicContact CB-CD2 3.87Å; H626-F632 HydrophobicContact CB-CE2 4.16Å; D630-F632 VanDerWaalsContact C-N 3.28Å; D630-F632 PolarHBondContact O-N 2.91Å |
| 633 | E | 93.5 | Very high | 90.4 | Very high | 72 Ų | 72 | 29.6 Ų | 29.6 | 34% | 0.336 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -22.2 | -173.5 | -59.2 | -167.2 | 157.4 | 0 | 0 | 112.4 | L433 | L433-E633 HydrophobicContact CB-CG 4Š|
| 634 | H | 89.3 | Confident | 90.1 | Very high | 94 Ų | 94 | 30 Ų | 30 | 44% | 0.435 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -133.5 | 158.3 | 179.8 | -61.1 | 77.2 | 0 | 0 | 0 | 110.7 | R431 D630 A631 | R431-H634 PolarHBondContact NH1-O 3.13Å; D630-H634 PolarHBondContact O-N 3.21Å; D630-H634 VanDerWaalsContact O-N 3.16Å; D630-H634 IonicContact OD1-ND1 2.71Å; D630-H634 IonicContact OD2-CE1 3.89Å; D630-H634 PolarHBondContact OD2-CE1 3.49Å; D630-H634 IonicContact OD2-CG 3.25Å; D630-H634 IonicContact OD2-ND1 3.9Å; D630-H634 PolarHBondContact OD2-ND1 2.89Å; A631-H634 CarbonylContact C-O 3.51Å |
| 635 | T | 84.6 | Confident | 89.8 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | trans | -67 | 139.4 | 169.8 | 55.9 | 0 | 0 | 0 | 0 | 110.5 | E178 R431 E591 P637 | E178-T635 WeakPolarHBondContact OE1-CB 3.38Å; E178-T635 WeakPolarHBondContact OE1-CG2 3.33Å; E178-T635 PolarHBondContact OE1-OG1 2.95Å; R431-T635 VanDerWaalsContact NH2-CG2 3.27Å; E591-T635 WeakPolarHBondContact OE1-CG2 3.4Å; T635-P637 VanDerWaalsContact C-CD 3.44Å; T635-P637 WeakPolarHBondContact O-CD 3.27Å | ||
| 636 | C | 86 | Confident | 89.6 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 8% | 0.081 | 18% | 0.176 | C | C | . | . | trans | -116.5 | 76.8 | -178.7 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | L629 A631 T638 G639 H674 | L629-C636 PolarHBondContact O-SG 3.49Å; A631-C636 HydrophobicContact CB-CB 3.78Å; C636-T638 PolarHBondContact O-N 2.82Å; C636-T638 VanDerWaalsContact O-N 3.13Å; C636-G639 PolarHBondContact O-N 3.41Å; C636-G639 VanDerWaalsContact O-N 3.08Å; C636-H674 VanDerWaalsContact SG-CE1 3.57Å | ||
| 637 | P | 78.2 | Confident | 89.4 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.9 | 179.7 | 27.1 | -34.9 | 0 | 0 | 0 | 113.3 | Q318 T635 L681 | Q318-P637 VanDerWaalsContact CD-O 3.3Å; Q318-P637 VanDerWaalsContact CG-O 3.26Å; Q318-P637 WeakPolarHBondContact CG-O 3.49Å; Q318-P637 VanDerWaalsContact NE2-C 3.34Å; Q318-P637 PolarHBondContact NE2-O 3.07Å; T635-P637 VanDerWaalsContact C-CD 3.44Å; T635-P637 WeakPolarHBondContact O-CD 3.27Å; P637-L681 HydrophobicContact CB-CD1 4.31Å; P637-L681 HydrophobicContact CG-CD1 4.3Å |
| 638 | T | 84.1 | Confident | 89.1 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -1 | 177.7 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | C636 R640 T641 I642 H674 L677 K678 L681 | C636-T638 PolarHBondContact O-N 2.82Å; C636-T638 VanDerWaalsContact O-N 3.13Å; T638-R640 VanDerWaalsContact C-N 3.34Å; T638-R640 PolarHBondContact O-N 3.15Å; T638-T641 PolarHBondContact O-N 3.34Å; T638-I642 WeakPolarHBondContact O-CG1 3.16Å; T638-I642 PolarHBondContact O-N 2.83Å; T638-I642 WeakPolarHBondContact OG1-CD1 3.21Å; T638-H674 PolarHBondContact OG1-ND1 2.52Å; T638-L677 HydrophobicContact CG2-CB 3.58Å; T638-K678 HydrophobicContact CG2-CB 4.44Å; T638-L681 HydrophobicContact CG2-CD1 3.78Å |
| 639 | G | 86.9 | Confident | 89 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C636 I642 Y643 | C636-G639 PolarHBondContact O-N 3.41Å; C636-G639 VanDerWaalsContact O-N 3.08Å; G639-I642 PolarHBondContact O-N 3.08Å; G639-Y643 VanDerWaalsContact O-CB 3.26Å; G639-Y643 WeakPolarHBondContact O-CB 3.4Å; G639-Y643 PolarHBondContact O-N 2.79Å |
| 640 | R | 83.9 | Confident | 89 | Confident | 60 Ų | 60 | 39.6 Ų | 39.6 | 23% | 0.226 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 178.7 | -176.3 | 67.9 | -156.2 | -159.4 | 3.2 | 113.5 | N586 D588 T638 I642 Y643 D644 | N586-R640 PolarHBondContact ND2-NH1 2.8Å; N586-R640 VanDerWaalsContact ND2-NH1 3.12Å; D588-R640 WeakPolarHBondContact OD2-CD 3.49Å; T638-R640 VanDerWaalsContact C-N 3.34Å; T638-R640 PolarHBondContact O-N 3.15Å; R640-I642 VanDerWaalsContact C-N 3.28Å; R640-I642 PolarHBondContact O-N 3.48Å; R640-Y643 WeakPolarHBondContact O-CB 3.45Å; R640-Y643 PolarHBondContact O-N 2.65Å; R640-D644 IonicContact CZ-OD1 2.74Å; R640-D644 VanDerWaalsContact CZ-OD1 3.28Å; R640-D644 IonicContact CZ-OD2 3.63Å; R640-D644 IonicContact NE-OD1 2.86Å; R640-D644 PolarHBondContact NE-OD1 2.91Å; R640-D644 VanDerWaalsContact NE-OD1 3.13Å; R640-D644 IonicContact NE-OD2 2.7Å; R640-D644 PolarHBondContact NE-OD2 3Å; R640-D644 IonicContact NH2-OD1 3.7Å; R640-D644 PolarHBondContact NH2-OD1 2.82Å; R640-D644 IonicContact NH2-OD2 2.91Å; R640-D644 PolarHBondContact O-N 3.46Å |
| 641 | T | 84.2 | Confident | 88.9 | Confident | 65 Ų | 65 | 38.7 Ų | 38.7 | 40% | 0.399 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -40.6 | -179 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | T638 S645 L677 | T638-T641 PolarHBondContact O-N 3.34Å; T641-S645 PolarHBondContact O-N 3.22Å; T641-S645 VanDerWaalsContact O-N 3.14Å; T641-L677 HydrophobicContact CG2-CD1 4.32Å |
| 642 | I | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.8 | -42.8 | 177.1 | -62.1 | 170 | 0 | 0 | 0 | 110.2 | L629 T638 G639 R640 D644 S645 V646 C670 H674 L677 | L629-I642 HydrophobicContact CD2-CB 4.06Å; L629-I642 HydrophobicContact CD2-CD1 3.69Å; L629-I642 HydrophobicContact CD2-CG1 4.49Å; L629-I642 HydrophobicContact CD2-CG2 3.9Å; T638-I642 WeakPolarHBondContact O-CG1 3.16Å; T638-I642 PolarHBondContact O-N 2.83Å; T638-I642 WeakPolarHBondContact OG1-CD1 3.21Å; G639-I642 PolarHBondContact O-N 3.08Å; R640-I642 VanDerWaalsContact C-N 3.28Å; R640-I642 PolarHBondContact O-N 3.48Å; I642-D644 VanDerWaalsContact C-N 3.3Å; I642-D644 PolarHBondContact O-N 2.91Å; I642-S645 PolarHBondContact O-N 3.08Å; I642-S645 VanDerWaalsContact O-N 3.13Å; I642-S645 PolarHBondContact O-OG 3.49Å; I642-V646 HydrophobicContact CG2-CG2 4.38Å; I642-V646 WeakPolarHBondContact O-CG2 3.49Å; I642-V646 PolarHBondContact O-N 2.86Å; I642-C670 HydrophobicContact CG2-CB 4.17Å; I642-H674 VanDerWaalsContact CD1-CA 3.46Å; I642-H674 HydrophobicContact CD1-CB 3.55Å; I642-L677 HydrophobicContact CD1-CD1 4.35Å; I642-L677 HydrophobicContact CG1-CD1 4Å |
| 643 | Y | 90.7 | Very high | 88.7 | Confident | 20 Ų | 20 | 45 Ų | 45 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.9 | -48.7 | 174 | 174.4 | -99.5 | 0 | 0 | 0 | 111.8 | F585 P587 W624 G639 R640 S645 V646 Y647 L650 | F585-Y643 WeakPolarHBondContact O-CE2 3.26Å; P587-Y643 HydrophobicContact CG-CD2 4.47Å; P587-Y643 HydrophobicContact CG-CG 4.38Å; W624-Y643 AromaticContact CH2-CD2 3.69Å; W624-Y643 HydrophobicContact CH2-CD2 3.69Å; W624-Y643 HydrophobicContact CH2-CG 4.29Å; W624-Y643 HydrophobicContact CZ3-CD2 4.16Å; G639-Y643 VanDerWaalsContact O-CB 3.26Å; G639-Y643 WeakPolarHBondContact O-CB 3.4Å; G639-Y643 PolarHBondContact O-N 2.79Å; R640-Y643 WeakPolarHBondContact O-CB 3.45Å; R640-Y643 PolarHBondContact O-N 2.65Å; Y643-S645 VanDerWaalsContact C-N 3.33Å; Y643-S645 PolarHBondContact O-N 3.27Å; Y643-V646 PolarHBondContact O-N 2.69Å; Y643-Y647 AromaticContact CE1-CD2 3.8Å; Y643-Y647 HydrophobicContact CE1-CD2 3.8Å; Y643-Y647 HydrophobicContact CE1-CE2 4.22Å; Y643-Y647 HydrophobicContact CE2-CD2 4.06Å; Y643-Y647 HydrophobicContact CE2-CE2 4.47Å; Y643-Y647 AromaticContact CZ-CD2 3.53Å; Y643-Y647 AromaticContact CZ-CE2 3.74Å; Y643-Y647 WeakPolarHBondContact O-CA 3.24Å; Y643-Y647 VanDerWaalsContact O-CB 3.3Å; Y643-Y647 WeakPolarHBondContact O-CB 3.37Å; Y643-Y647 PolarHBondContact O-N 2.74Å; Y643-Y647 WeakPolarHBondContact OH-CE2 3.13Å; Y643-L650 HydrophobicContact CD2-CD2 4.14Å; Y643-L650 HydrophobicContact CE2-CD2 4.29Å |
| 644 | D | 88 | Confident | 88.6 | Confident | 80 Ų | 80 | 41.6 Ų | 41.6 | 43% | 0.428 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 179.5 | -69.7 | -33.9 | 0 | 0 | 0 | 111.7 | R640 I642 | R640-D644 IonicContact CZ-OD1 2.74Å; R640-D644 VanDerWaalsContact CZ-OD1 3.28Å; R640-D644 IonicContact CZ-OD2 3.63Å; R640-D644 IonicContact NE-OD1 2.86Å; R640-D644 PolarHBondContact NE-OD1 2.91Å; R640-D644 VanDerWaalsContact NE-OD1 3.13Å; R640-D644 IonicContact NE-OD2 2.7Å; R640-D644 PolarHBondContact NE-OD2 3Å; R640-D644 IonicContact NH2-OD1 3.7Å; R640-D644 PolarHBondContact NH2-OD1 2.82Å; R640-D644 IonicContact NH2-OD2 2.91Å; R640-D644 PolarHBondContact O-N 3.46Å; I642-D644 VanDerWaalsContact C-N 3.3Å; I642-D644 PolarHBondContact O-N 2.91Å |
| 645 | S | 89.5 | Confident | 88.6 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 51% | 0.51 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.4 | -35.5 | 179.1 | 78.8 | 0 | 0 | 0 | 0 | 113.3 | T641 I642 Y643 | T641-S645 PolarHBondContact O-N 3.22Å; T641-S645 VanDerWaalsContact O-N 3.14Å; I642-S645 PolarHBondContact O-N 3.08Å; I642-S645 VanDerWaalsContact O-N 3.13Å; I642-S645 PolarHBondContact O-OG 3.49Å; Y643-S645 VanDerWaalsContact C-N 3.33Å; Y643-S645 PolarHBondContact O-N 3.27Å |
| 646 | V | 92.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -102.8 | 5.7 | -179.6 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | W624 I642 Y643 N648 D649 L650 L666 | W624-V646 HydrophobicContact CZ2-CG2 3.9Å; I642-V646 HydrophobicContact CG2-CG2 4.38Å; I642-V646 WeakPolarHBondContact O-CG2 3.49Å; I642-V646 PolarHBondContact O-N 2.86Å; Y643-V646 PolarHBondContact O-N 2.69Å; V646-N648 VanDerWaalsContact C-N 3.32Å; V646-N648 PolarHBondContact O-N 3.29Å; V646-D649 PolarHBondContact O-N 2.63Å; V646-L650 HydrophobicContact CG2-CB 4.46Å; V646-L650 WeakPolarHBondContact O-CB 3.32Å; V646-L650 PolarHBondContact O-N 3.4Å; V646-L666 HydrophobicContact CB-CD1 4.25Å; V646-L666 HydrophobicContact CG1-CD1 4.05Å |
| 647 | Y | 91.3 | Very high | 88.8 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -48.8 | -50.9 | -171.2 | 179.1 | -106.1 | 0 | 0 | 0 | 112.9 | E461 Y643 D649 L650 I651 | E461-Y647 WeakPolarHBondContact CG-OH 3.11Å; E461-Y647 PolarHBondContact OE1-OH 2.76Å; E461-Y647 VanDerWaalsContact OE1-OH 3.12Å; E461-Y647 PolarHBondContact OE2-OH 3.01Å; E461-Y647 VanDerWaalsContact OE2-OH 3.05Å; Y643-Y647 AromaticContact CE1-CD2 3.8Å; Y643-Y647 HydrophobicContact CE1-CD2 3.8Å; Y643-Y647 HydrophobicContact CE1-CE2 4.22Å; Y643-Y647 HydrophobicContact CE2-CD2 4.06Å; Y643-Y647 HydrophobicContact CE2-CE2 4.47Å; Y643-Y647 AromaticContact CZ-CD2 3.53Å; Y643-Y647 AromaticContact CZ-CE2 3.74Å; Y643-Y647 WeakPolarHBondContact O-CA 3.24Å; Y643-Y647 VanDerWaalsContact O-CB 3.3Å; Y643-Y647 WeakPolarHBondContact O-CB 3.37Å; Y643-Y647 PolarHBondContact O-N 2.74Å; Y643-Y647 WeakPolarHBondContact OH-CE2 3.13Å; Y647-D649 PolarHBondContact O-N 2.84Å; Y647-L650 PolarHBondContact O-N 3.37Å; Y647-I651 HydrophobicContact CD1-CG1 4.38Å; Y647-I651 HydrophobicContact CD2-CG1 4.11Å; Y647-I651 HydrophobicContact CE1-CG1 4.06Å; Y647-I651 HydrophobicContact CE2-CD1 3.92Å; Y647-I651 HydrophobicContact CE2-CG1 3.72Å; Y647-I651 HydrophobicContact CG-CG1 4.43Å; Y647-I651 WeakPolarHBondContact O-CB 3.02Å; Y647-I651 VanDerWaalsContact O-CG1 3.23Å; Y647-I651 WeakPolarHBondContact O-CG1 3.31Å; Y647-I651 PolarHBondContact O-N 2.88Å |
| 648 | N | 91.1 | Very high | 89 | Confident | 122 Ų | 122 | 42 Ų | 42 | 65% | 0.652 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.2 | -40.8 | -177.1 | -66.8 | -46.5 | 0 | 0 | 0 | 112.5 | V646 N652 | V646-N648 VanDerWaalsContact C-N 3.32Å; V646-N648 PolarHBondContact O-N 3.29Å; N648-N652 PolarHBondContact O-N 2.82Å; N648-N652 PolarHBondContact O-ND2 3.12Å |
| 649 | D | 91.5 | Very high | 89 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.2 | -45.6 | 179.1 | -67.6 | -26.5 | 0 | 0 | 0 | 110.6 | V646 Y647 I651 N652 Y653 L666 | V646-D649 PolarHBondContact O-N 2.63Å; Y647-D649 PolarHBondContact O-N 2.84Å; D649-I651 PolarHBondContact O-N 2.76Å; D649-N652 WeakPolarHBondContact O-CB 3.37Å; D649-N652 PolarHBondContact O-N 2.9Å; D649-Y653 WeakPolarHBondContact O-CD2 3.47Å; D649-Y653 PolarHBondContact O-N 3.03Å; D649-L666 HydrophobicContact CB-CD1 4.36Å; D649-L666 HydrophobicContact CB-CD2 4.34Å |
| 650 | L | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 177.9 | -178.8 | 62.5 | 0 | 0 | 0 | 111.7 | W624 Y643 V646 Y647 N652 Y653 L654 | W624-L650 HydrophobicContact CB-CD1 4.33Å; W624-L650 HydrophobicContact CD2-CD1 4.01Å; W624-L650 HydrophobicContact CD2-CD2 3.88Å; W624-L650 HydrophobicContact CE3-CD1 4.39Å; W624-L650 HydrophobicContact CE3-CD2 3.76Å; W624-L650 HydrophobicContact CG-CD1 3.98Å; W624-L650 HydrophobicContact CH2-CD2 3.79Å; W624-L650 HydrophobicContact CZ2-CD2 3.9Å; W624-L650 HydrophobicContact CZ3-CD2 3.71Å; Y643-L650 HydrophobicContact CD2-CD2 4.14Å; Y643-L650 HydrophobicContact CE2-CD2 4.29Å; V646-L650 HydrophobicContact CG2-CB 4.46Å; V646-L650 WeakPolarHBondContact O-CB 3.32Å; V646-L650 PolarHBondContact O-N 3.4Å; Y647-L650 PolarHBondContact O-N 3.37Å; L650-N652 VanDerWaalsContact C-N 3.27Å; L650-N652 PolarHBondContact O-N 3.48Å; L650-Y653 PolarHBondContact O-N 2.79Å; L650-L654 HydrophobicContact CD1-CD1 4.3Å; L650-L654 HydrophobicContact CD1-CG 4.31Å; L650-L654 HydrophobicContact CG-CD1 3.92Å; L650-L654 HydrophobicContact CG-CG 4.36Å; L650-L654 WeakPolarHBondContact O-CG 3.35Å; L650-L654 PolarHBondContact O-N 3.45Å |
| 651 | I | 92 | Very high | 88.9 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -38.9 | 177.4 | -74.7 | -67.4 | 0 | 0 | 0 | 111.6 | A460 E461 A464 F585 Y647 D649 L654 A655 | A460-I651 HydrophobicContact CB-CG2 3.94Å; E461-I651 HydrophobicContact CB-CG2 4.32Å; E461-I651 HydrophobicContact CG-CD1 4.34Å; A464-I651 HydrophobicContact CB-CD1 4.06Å; A464-I651 HydrophobicContact CB-CG2 4.38Å; F585-I651 HydrophobicContact CE1-CD1 4.07Å; Y647-I651 HydrophobicContact CD1-CG1 4.38Å; Y647-I651 HydrophobicContact CD2-CG1 4.11Å; Y647-I651 HydrophobicContact CE1-CG1 4.06Å; Y647-I651 HydrophobicContact CE2-CD1 3.92Å; Y647-I651 HydrophobicContact CE2-CG1 3.72Å; Y647-I651 HydrophobicContact CG-CG1 4.43Å; Y647-I651 WeakPolarHBondContact O-CB 3.02Å; Y647-I651 VanDerWaalsContact O-CG1 3.23Å; Y647-I651 WeakPolarHBondContact O-CG1 3.31Å; Y647-I651 PolarHBondContact O-N 2.88Å; D649-I651 PolarHBondContact O-N 2.76Å; I651-L654 PolarHBondContact O-N 3.3Å; I651-A655 VanDerWaalsContact O-CB 3.3Å; I651-A655 WeakPolarHBondContact O-CB 3.4Å; I651-A655 PolarHBondContact O-N 3.5Å |
| 652 | N | 91.5 | Very high | 89.1 | Confident | 88 Ų | 88 | 56 Ų | 56 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.8 | -69.8 | -38.6 | 0 | 0 | 0 | 112 | N648 D649 L650 A655 S656 | N648-N652 PolarHBondContact O-N 2.82Å; N648-N652 PolarHBondContact O-ND2 3.12Å; D649-N652 WeakPolarHBondContact O-CB 3.37Å; D649-N652 PolarHBondContact O-N 2.9Å; L650-N652 VanDerWaalsContact C-N 3.27Å; L650-N652 PolarHBondContact O-N 3.48Å; N652-A655 PolarHBondContact O-N 2.93Å; N652-S656 PolarHBondContact O-N 3.24Å |
| 653 | Y | 92.6 | Very high | 89.2 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 175.3 | -71 | -68.1 | 0 | 0 | 0 | 112.6 | D649 L650 S656 P657 Q659 E661 G662 F663 L666 | D649-Y653 WeakPolarHBondContact O-CD2 3.47Å; D649-Y653 PolarHBondContact O-N 3.03Å; L650-Y653 PolarHBondContact O-N 2.79Å; Y653-S656 CarbonylContact O-C 3.59Å; Y653-S656 PolarHBondContact O-N 2.8Å; Y653-P657 VanDerWaalsContact O-CA 3.32Å; Y653-P657 WeakPolarHBondContact O-CA 3.15Å; Y653-Q659 VanDerWaalsContact CD1-O 3.31Å; Y653-Q659 WeakPolarHBondContact CD1-O 3.3Å; Y653-E661 PolarHBondContact OH-O 2.86Å; Y653-G662 PolarHBondContact OH-O 2.79Å; Y653-F663 HydrophobicContact CD1-CB 4Å; Y653-F663 HydrophobicContact CD1-CD2 4.01Å; Y653-F663 HydrophobicContact CD1-CG 4.29Å; Y653-F663 AromaticContact CD2-CD2 3.8Å; Y653-F663 HydrophobicContact CD2-CD2 3.8Å; Y653-F663 HydrophobicContact CD2-CE2 4.44Å; Y653-F663 HydrophobicContact CE1-CB 3.76Å; Y653-F663 HydrophobicContact CE1-CD2 4.35Å; Y653-F663 HydrophobicContact CE1-CG 4.47Å; Y653-F663 HydrophobicContact CE2-CD2 4.17Å; Y653-F663 AromaticContact CG-CD2 3.72Å; Y653-F663 HydrophobicContact CG-CD2 3.72Å; Y653-F663 HydrophobicContact CG-CE2 4.38Å; Y653-F663 HydrophobicContact CG-CG 4.44Å; Y653-F663 PolarHBondContact OH-N 3.06Å; Y653-L666 HydrophobicContact CD2-CD2 3.71Å; Y653-L666 HydrophobicContact CE2-CB 4.45Å; Y653-L666 HydrophobicContact CE2-CD2 3.67Å |
| 654 | L | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70 | -35.5 | 175.9 | -67.3 | 172.6 | 0 | 0 | 0 | 112.3 | A464 F585 A617 V620 L621 L650 I651 S656 | A464-L654 HydrophobicContact CB-CB 3.68Å; F585-L654 HydrophobicContact CD1-CD1 4.12Å; F585-L654 HydrophobicContact CE1-CD1 3.64Å; A617-L654 HydrophobicContact CB-CB 4.31Å; A617-L654 HydrophobicContact CB-CD2 3.99Å; A617-L654 WeakPolarHBondContact CB-O 3.19Å; A617-L654 WeakPolarHBondContact O-CD2 3.41Å; V620-L654 HydrophobicContact CB-CD2 3.95Å; V620-L654 HydrophobicContact CG1-CD2 3.83Å; V620-L654 HydrophobicContact CG1-CG 4.39Å; L621-L654 HydrophobicContact CB-CD2 3.94Å; L621-L654 HydrophobicContact CD1-CD2 4.45Å; L650-L654 HydrophobicContact CD1-CD1 4.3Å; L650-L654 HydrophobicContact CD1-CG 4.31Å; L650-L654 HydrophobicContact CG-CD1 3.92Å; L650-L654 HydrophobicContact CG-CG 4.36Å; L650-L654 WeakPolarHBondContact O-CG 3.35Å; L650-L654 PolarHBondContact O-N 3.45Å; I651-L654 PolarHBondContact O-N 3.3Å; L654-S656 VanDerWaalsContact C-N 3.33Å |
| 655 | A | 88.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72 | -27.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A460 R463 A464 I651 N652 | A460-A655 HydrophobicContact CB-CB 4.45Å; A460-A655 WeakPolarHBondContact O-CB 3.12Å; R463-A655 HydrophobicContact CB-CB 4.29Å; R463-A655 HydrophobicContact CG-CB 4.31Å; R463-A655 PolarHBondContact NE-O 2.98Å; A464-A655 HydrophobicContact CB-CB 4.27Å; I651-A655 VanDerWaalsContact O-CB 3.3Å; I651-A655 WeakPolarHBondContact O-CB 3.4Å; I651-A655 PolarHBondContact O-N 3.5Å; N652-A655 PolarHBondContact O-N 2.93Å |
| 656 | S | 87.9 | Confident | 89.8 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | trans | -131.3 | 67.7 | -179.1 | -80.7 | 0 | 0 | 0 | 0 | 111.5 | N652 Y653 L654 D658 Q659 | N652-S656 PolarHBondContact O-N 3.24Å; Y653-S656 CarbonylContact O-C 3.59Å; Y653-S656 PolarHBondContact O-N 2.8Å; L654-S656 VanDerWaalsContact C-N 3.33Å; S656-D658 PolarHBondContact O-N 2.96Å; S656-D658 VanDerWaalsContact O-N 3.08Å; S656-Q659 PolarHBondContact O-N 3.48Å | ||
| 657 | P | 85.8 | Confident | 89.9 | Confident | 15 Ų | 15 | 59 Ų | 59 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.1 | -173.5 | 28.8 | -36.4 | 0 | 0 | 0 | 114.2 | T616 V620 Y653 | T616-P657 WeakPolarHBondContact O-CB 3.22Å; V620-P657 HydrophobicContact CG2-CB 3.82Å; Y653-P657 VanDerWaalsContact O-CA 3.32Å; Y653-P657 WeakPolarHBondContact O-CA 3.15Å |
| 658 | D | 84 | Confident | 90.1 | Very high | 120 Ų | 120 | 62.5 Ų | 62.5 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -19 | 171.8 | 58.9 | -44.6 | 0 | 0 | 0 | 113.3 | S656 T660 | S656-D658 PolarHBondContact O-N 2.96Å; S656-D658 VanDerWaalsContact O-N 3.08Å; D658-T660 PolarHBondContact O-N 2.92Å |
| 659 | Q | 83.5 | Confident | 90.2 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | trans | -97.1 | 85.8 | 178.3 | -63.5 | -172.6 | -10 | 0 | 0 | 110.4 | Y653 S656 | Y653-Q659 VanDerWaalsContact CD1-O 3.31Å; Y653-Q659 WeakPolarHBondContact CD1-O 3.3Å; S656-Q659 PolarHBondContact O-N 3.48Å | ||
| 660 | T | 80.2 | Confident | 90.4 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 49% | 0.485 | 29% | 0.293 | S | S | . | . | trans | -94.8 | 4.5 | -178.2 | 61.2 | 0 | 0 | 0 | 0 | 114 | D658 G662 F663 | D658-T660 PolarHBondContact O-N 2.92Å; T660-G662 PolarHBondContact O-N 3.27Å; T660-F663 WeakPolarHBondContact O-CB 3.44Å; T660-F663 PolarHBondContact O-N 2.95Å; T660-F663 VanDerWaalsContact O-N 3.11Å | ||
| 661 | E | 87.2 | Confident | 90.6 | Very high | 185 Ų | 185 | 58.3 Ų | 58.3 | 86% | 0.864 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 123.3 | -179.8 | -170.2 | 173.1 | -170.5 | 0 | 0 | 110.1 | Y653 F663 | Y653-E661 PolarHBondContact OH-O 2.86Å; E661-F663 VanDerWaalsContact C-N 3.3Å; E661-F663 PolarHBondContact O-N 3.38Å |
| 662 | G | 89.3 | Confident | 90.7 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -6.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y653 T660 D664 D665 L666 | Y653-G662 PolarHBondContact OH-O 2.79Å; T660-G662 PolarHBondContact O-N 3.27Å; G662-D664 PolarHBondContact O-N 2.7Å; G662-D665 PolarHBondContact O-N 2.8Å; G662-L666 PolarHBondContact O-N 3.15Å |
| 663 | F | 92.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | -179 | -174.5 | -122.1 | 0 | 0 | 0 | 112.7 | V620 R623 W624 Y653 T660 E661 D665 L666 I667 | V620-F663 HydrophobicContact CB-CZ 4.35Å; V620-F663 HydrophobicContact CG1-CD2 4.43Å; V620-F663 HydrophobicContact CG1-CE1 4.03Å; V620-F663 HydrophobicContact CG1-CE2 3.67Å; V620-F663 HydrophobicContact CG1-CZ 3.44Å; V620-F663 VanDerWaalsContact CG1-CZ 3.44Å; V620-F663 WeakPolarHBondContact O-CZ 3.29Å; R623-F663 HydrophobicContact CB-CE1 4.06Å; W624-F663 HydrophobicContact CB-CZ 4.17Å; Y653-F663 HydrophobicContact CD1-CB 4Å; Y653-F663 HydrophobicContact CD1-CD2 4.01Å; Y653-F663 HydrophobicContact CD1-CG 4.29Å; Y653-F663 AromaticContact CD2-CD2 3.8Å; Y653-F663 HydrophobicContact CD2-CD2 3.8Å; Y653-F663 HydrophobicContact CD2-CE2 4.44Å; Y653-F663 HydrophobicContact CE1-CB 3.76Å; Y653-F663 HydrophobicContact CE1-CD2 4.35Å; Y653-F663 HydrophobicContact CE1-CG 4.47Å; Y653-F663 HydrophobicContact CE2-CD2 4.17Å; Y653-F663 AromaticContact CG-CD2 3.72Å; Y653-F663 HydrophobicContact CG-CD2 3.72Å; Y653-F663 HydrophobicContact CG-CE2 4.38Å; Y653-F663 HydrophobicContact CG-CG 4.44Å; Y653-F663 PolarHBondContact OH-N 3.06Å; T660-F663 WeakPolarHBondContact O-CB 3.44Å; T660-F663 PolarHBondContact O-N 2.95Å; T660-F663 VanDerWaalsContact O-N 3.11Å; E661-F663 VanDerWaalsContact C-N 3.3Å; E661-F663 PolarHBondContact O-N 3.38Å; F663-D665 VanDerWaalsContact C-N 3.29Å; F663-D665 PolarHBondContact O-N 3.11Å; F663-L666 HydrophobicContact CD2-CD2 4.19Å; F663-L666 HydrophobicContact CE2-CD2 4.3Å; F663-L666 WeakPolarHBondContact O-CB 3.32Å; F663-L666 PolarHBondContact O-N 2.74Å; F663-I667 HydrophobicContact CD1-CD1 3.87Å; F663-I667 HydrophobicContact CE1-CD1 3.42Å; F663-I667 VanDerWaalsContact CE1-CD1 3.42Å; F663-I667 HydrophobicContact CE1-CG1 4.13Å; F663-I667 HydrophobicContact CE2-CD1 4.45Å; F663-I667 HydrophobicContact CE2-CG1 4.29Å; F663-I667 HydrophobicContact CZ-CD1 3.73Å; F663-I667 HydrophobicContact CZ-CG1 3.99Å; F663-I667 PolarHBondContact O-N 3.03Å |
| 664 | D | 93.4 | Very high | 90.7 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 175.9 | -64.9 | -24.4 | 0 | 0 | 0 | 111.6 | R623 G662 I667 K668 | R623-D664 IonicContact CZ-OD1 2.79Å; R623-D664 IonicContact NH1-OD1 3.39Å; R623-D664 PolarHBondContact NH1-OD1 3.16Å; R623-D664 IonicContact NH2-OD1 3.13Å; R623-D664 PolarHBondContact NH2-OD1 2.95Å; G662-D664 PolarHBondContact O-N 2.7Å; D664-I667 PolarHBondContact O-N 3.05Å; D664-K668 WeakPolarHBondContact O-CB 3.41Å; D664-K668 PolarHBondContact O-N 2.95Å |
| 665 | D | 93.6 | Very high | 90.6 | Very high | 121 Ų | 121 | 65.1 Ų | 65.1 | 65% | 0.647 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | 174.3 | -66.8 | -40.7 | 0 | 0 | 0 | 111.2 | G662 F663 K668 N669 | G662-D665 PolarHBondContact O-N 2.8Å; F663-D665 VanDerWaalsContact C-N 3.29Å; F663-D665 PolarHBondContact O-N 3.11Å; D665-K668 PolarHBondContact O-N 2.99Å; D665-N669 WeakPolarHBondContact O-CB 3.47Å; D665-N669 PolarHBondContact O-N 3.27Å |
| 666 | L | 93.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 173.2 | -179.3 | 68.1 | 0 | 0 | 0 | 111.2 | V646 D649 Y653 G662 F663 K668 N669 C670 | V646-L666 HydrophobicContact CB-CD1 4.25Å; V646-L666 HydrophobicContact CG1-CD1 4.05Å; D649-L666 HydrophobicContact CB-CD1 4.36Å; D649-L666 HydrophobicContact CB-CD2 4.34Å; Y653-L666 HydrophobicContact CD2-CD2 3.71Å; Y653-L666 HydrophobicContact CE2-CB 4.45Å; Y653-L666 HydrophobicContact CE2-CD2 3.67Å; G662-L666 PolarHBondContact O-N 3.15Å; F663-L666 HydrophobicContact CD2-CD2 4.19Å; F663-L666 HydrophobicContact CE2-CD2 4.3Å; F663-L666 WeakPolarHBondContact O-CB 3.32Å; F663-L666 PolarHBondContact O-N 2.74Å; L666-K668 VanDerWaalsContact C-N 3.34Å; L666-K668 PolarHBondContact O-N 3.41Å; L666-N669 PolarHBondContact O-N 3.01Å; L666-C670 WeakPolarHBondContact O-CB 3.27Å; L666-C670 PolarHBondContact O-N 3.35Å; L666-C670 PolarHBondContact O-SG 3.44Å |
| 667 | I | 95.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 68.6 Ų | 68.6 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 176.9 | -76.7 | 175.9 | 0 | 0 | 0 | 110.5 | R623 E627 F663 D664 N669 C670 R671 | R623-I667 HydrophobicContact CB-CD1 3.98Å; E627-I667 HydrophobicContact CB-CD1 4.44Å; E627-I667 HydrophobicContact CB-CG2 3.57Å; F663-I667 HydrophobicContact CD1-CD1 3.87Å; F663-I667 HydrophobicContact CE1-CD1 3.42Å; F663-I667 VanDerWaalsContact CE1-CD1 3.42Å; F663-I667 HydrophobicContact CE1-CG1 4.13Å; F663-I667 HydrophobicContact CE2-CD1 4.45Å; F663-I667 HydrophobicContact CE2-CG1 4.29Å; F663-I667 HydrophobicContact CZ-CD1 3.73Å; F663-I667 HydrophobicContact CZ-CG1 3.99Å; F663-I667 PolarHBondContact O-N 3.03Å; D664-I667 PolarHBondContact O-N 3.05Å; I667-N669 PolarHBondContact O-N 3.32Å; I667-C670 WeakPolarHBondContact O-CB 3.44Å; I667-C670 PolarHBondContact O-N 2.73Å; I667-R671 PolarHBondContact O-N 3.19Å |
| 668 | K | 94.8 | Very high | 90.2 | Very high | 127 Ų | 127 | 70.4 Ų | 70.4 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | -179.9 | -174.2 | -176.7 | 173.1 | -165.9 | 0 | 111.9 | D664 D665 L666 R671 E672 | D664-K668 WeakPolarHBondContact O-CB 3.41Å; D664-K668 PolarHBondContact O-N 2.95Å; D665-K668 PolarHBondContact O-N 2.99Å; L666-K668 VanDerWaalsContact C-N 3.34Å; L666-K668 PolarHBondContact O-N 3.41Å; K668-R671 WeakPolarHBondContact O-CB 3.42Å; K668-R671 PolarHBondContact O-N 2.61Å; K668-E672 WeakPolarHBondContact CE-OE1 3.43Å; K668-E672 IonicContact NZ-OE1 3.72Å; K668-E672 WeakPolarHBondContact O-CG 3.44Å; K668-E672 PolarHBondContact O-N 3.02Å |
| 669 | N | 94.7 | Very high | 90.1 | Very high | 71 Ų | 71 | 66.3 Ų | 66.3 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 175.5 | -176.1 | 20.9 | 0 | 0 | 0 | 111.6 | D665 L666 I667 R671 E672 Q673 | D665-N669 WeakPolarHBondContact O-CB 3.47Å; D665-N669 PolarHBondContact O-N 3.27Å; L666-N669 PolarHBondContact O-N 3.01Å; I667-N669 PolarHBondContact O-N 3.32Å; N669-R671 VanDerWaalsContact C-N 3.31Å; N669-R671 PolarHBondContact O-N 2.87Å; N669-E672 PolarHBondContact O-N 2.67Å; N669-Q673 PolarHBondContact ND2-NE2 3.18Å; N669-Q673 WeakPolarHBondContact O-CB 3.5Å; N669-Q673 WeakPolarHBondContact O-CG 3.12Å; N669-Q673 PolarHBondContact O-N 2.72Å; N669-Q673 PolarHBondContact OD1-NE2 3.05Å |
| 670 | C | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 174.3 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | W624 G628 I642 L666 I667 Q673 H674 | W624-C670 PolarHBondContact NE1-SG 3.2Å; W624-C670 VanDerWaalsContact NE1-SG 3.42Å; G628-C670 CarbonylContact O-C 3.54Å; I642-C670 HydrophobicContact CG2-CB 4.17Å; L666-C670 WeakPolarHBondContact O-CB 3.27Å; L666-C670 PolarHBondContact O-N 3.35Å; L666-C670 PolarHBondContact O-SG 3.44Å; I667-C670 WeakPolarHBondContact O-CB 3.44Å; I667-C670 PolarHBondContact O-N 2.73Å; C670-Q673 PolarHBondContact O-N 3.01Å; C670-H674 VanDerWaalsContact O-CB 3.26Å; C670-H674 WeakPolarHBondContact O-CB 3.26Å; C670-H674 PolarHBondContact O-N 3.16Å |
| 671 | R | 95.2 | Very high | 89.3 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 19% | 0.192 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 177.6 | 176.9 | 60.1 | 64 | 177.3 | 6.9 | 112.1 | H626 E627 G628 I667 K668 N669 Q673 H674 E675 | H626-R671 PolarHBondContact O-NH2 3.42Å; E627-R671 VanDerWaalsContact O-CZ 3.25Å; E627-R671 PolarHBondContact O-NE 2.84Å; E627-R671 PolarHBondContact O-NH2 3.16Å; G628-R671 VanDerWaalsContact O-CA 3.26Å; G628-R671 WeakPolarHBondContact O-CA 3.1Å; G628-R671 PolarHBondContact O-N 3.39Å; I667-R671 PolarHBondContact O-N 3.19Å; K668-R671 WeakPolarHBondContact O-CB 3.42Å; K668-R671 PolarHBondContact O-N 2.61Å; N669-R671 VanDerWaalsContact C-N 3.31Å; N669-R671 PolarHBondContact O-N 2.87Å; R671-Q673 VanDerWaalsContact C-N 3.34Å; R671-Q673 PolarHBondContact O-N 3.34Å; R671-H674 PolarHBondContact O-N 2.82Å; R671-E675 WeakPolarHBondContact CD-OE1 3.45Å; R671-E675 WeakPolarHBondContact O-CG 3.14Å; R671-E675 PolarHBondContact O-N 3.2Å |
| 672 | E | 94.3 | Very high | 88.5 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 178.4 | -71.4 | 175.5 | -178.5 | 0 | 0 | 111.4 | K668 N669 A676 | K668-E672 WeakPolarHBondContact CE-OE1 3.43Å; K668-E672 IonicContact NZ-OE1 3.72Å; K668-E672 WeakPolarHBondContact O-CG 3.44Å; K668-E672 PolarHBondContact O-N 3.02Å; N669-E672 PolarHBondContact O-N 2.67Å; E672-A676 WeakPolarHBondContact O-CB 3.38Å; E672-A676 PolarHBondContact O-N 2.83Å |
| 673 | Q | 92.5 | Very high | 87.4 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.4 | -72 | 179.9 | 36.2 | 0 | 0 | 112.4 | N669 C670 R671 A676 L677 | N669-Q673 PolarHBondContact ND2-NE2 3.18Å; N669-Q673 WeakPolarHBondContact O-CB 3.5Å; N669-Q673 WeakPolarHBondContact O-CG 3.12Å; N669-Q673 PolarHBondContact O-N 2.72Å; N669-Q673 PolarHBondContact OD1-NE2 3.05Å; C670-Q673 PolarHBondContact O-N 3.01Å; R671-Q673 VanDerWaalsContact C-N 3.34Å; R671-Q673 PolarHBondContact O-N 3.34Å; Q673-A676 PolarHBondContact O-N 3.5Å; Q673-L677 WeakPolarHBondContact O-CB 3.31Å; Q673-L677 WeakPolarHBondContact O-CG 3.21Å; Q673-L677 PolarHBondContact O-N 3.43Å |
| 674 | H | 91.4 | Very high | 86 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.032 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 176.1 | 172.4 | 66 | 0 | 0 | 0 | 111.6 | C636 T638 I642 C670 R671 A676 L677 K678 | C636-H674 VanDerWaalsContact SG-CE1 3.57Å; T638-H674 PolarHBondContact OG1-ND1 2.52Å; I642-H674 VanDerWaalsContact CD1-CA 3.46Å; I642-H674 HydrophobicContact CD1-CB 3.55Å; C670-H674 VanDerWaalsContact O-CB 3.26Å; C670-H674 WeakPolarHBondContact O-CB 3.26Å; C670-H674 PolarHBondContact O-N 3.16Å; R671-H674 PolarHBondContact O-N 2.82Å; H674-A676 VanDerWaalsContact C-N 3.32Å; H674-A676 PolarHBondContact O-N 3.5Å; H674-L677 PolarHBondContact O-N 3.3Å; H674-K678 WeakPolarHBondContact O-CB 3.22Å; H674-K678 PolarHBondContact O-N 3.39Å |
| 675 | E | 90.2 | Very high | 84.8 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 179 | -71.6 | 176.9 | -178.8 | 0 | 0 | 111.8 | R671 A679 | R671-E675 WeakPolarHBondContact CD-OE1 3.45Å; R671-E675 WeakPolarHBondContact O-CG 3.14Å; R671-E675 PolarHBondContact O-N 3.2Å; E675-A679 WeakPolarHBondContact O-CB 3.44Å; E675-A679 PolarHBondContact O-N 3.25Å |
| 676 | A | 88.3 | Confident | 83.6 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | E672 Q673 H674 A679 Q680 | E672-A676 WeakPolarHBondContact O-CB 3.38Å; E672-A676 PolarHBondContact O-N 2.83Å; Q673-A676 PolarHBondContact O-N 3.5Å; H674-A676 VanDerWaalsContact C-N 3.32Å; H674-A676 PolarHBondContact O-N 3.5Å; A676-A679 PolarHBondContact O-N 3.33Å; A676-Q680 WeakPolarHBondContact O-CG 3.47Å; A676-Q680 PolarHBondContact O-N 3.08Å |
| 677 | L | 83.8 | Confident | 82.5 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 178.6 | -75 | 172.7 | 0 | 0 | 0 | 111.7 | T638 T641 I642 Q673 H674 A679 Q680 L681 | T638-L677 HydrophobicContact CG2-CB 3.58Å; T641-L677 HydrophobicContact CG2-CD1 4.32Å; I642-L677 HydrophobicContact CD1-CD1 4.35Å; I642-L677 HydrophobicContact CG1-CD1 4Å; Q673-L677 WeakPolarHBondContact O-CB 3.31Å; Q673-L677 WeakPolarHBondContact O-CG 3.21Å; Q673-L677 PolarHBondContact O-N 3.43Å; H674-L677 PolarHBondContact O-N 3.3Å; L677-A679 PolarHBondContact O-N 3.23Å; L677-Q680 WeakPolarHBondContact O-CB 3.23Å; L677-Q680 PolarHBondContact O-N 2.69Å; L677-Q680 VanDerWaalsContact O-N 3.15Å; L677-L681 WeakPolarHBondContact O-CG 3.21Å; L677-L681 PolarHBondContact O-N 2.9Å |
| 678 | K | 82.4 | Confident | 81.5 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.5 | -176.2 | 176.8 | -180 | 174.9 | 0 | 110.9 | T638 H674 Q680 L681 E682 | T638-K678 HydrophobicContact CG2-CB 4.44Å; H674-K678 WeakPolarHBondContact O-CB 3.22Å; H674-K678 PolarHBondContact O-N 3.39Å; K678-Q680 VanDerWaalsContact C-N 3.28Å; K678-Q680 PolarHBondContact O-N 2.68Å; K678-L681 PolarHBondContact O-N 3.32Å; K678-E682 VanDerWaalsContact CE-OE1 3.22Å; K678-E682 WeakPolarHBondContact CE-OE1 3.45Å; K678-E682 WeakPolarHBondContact O-CG 3.48Å; K678-E682 PolarHBondContact O-N 3.39Å |
| 679 | A | 80.6 | Confident | 80.7 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E675 A676 L677 Q683 | E675-A679 WeakPolarHBondContact O-CB 3.44Å; E675-A679 PolarHBondContact O-N 3.25Å; A676-A679 PolarHBondContact O-N 3.33Å; L677-A679 PolarHBondContact O-N 3.23Å; A679-Q683 WeakPolarHBondContact O-CB 3.47Å; A679-Q683 WeakPolarHBondContact O-CG 3.49Å; A679-Q683 PolarHBondContact O-N 2.98Å |
| 680 | Q | 75.5 | Confident | 80 | Confident | 133 Ų | 133 | 54.4 Ų | 54.4 | 62% | 0.621 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.8 | -43.3 | 174.9 | -74 | 176.2 | 0.4 | 0 | 0 | 112.3 | A676 L677 K678 | A676-Q680 WeakPolarHBondContact O-CG 3.47Å; A676-Q680 PolarHBondContact O-N 3.08Å; L677-Q680 WeakPolarHBondContact O-CB 3.23Å; L677-Q680 PolarHBondContact O-N 2.69Å; L677-Q680 VanDerWaalsContact O-N 3.15Å; K678-Q680 VanDerWaalsContact C-N 3.28Å; K678-Q680 PolarHBondContact O-N 2.68Å |
| 681 | L | 71.8 | Confident | 79.1 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.6 | -70.6 | 172.4 | 0 | 0 | 0 | 111.4 | P637 T638 L677 K678 Q683 | P637-L681 HydrophobicContact CB-CD1 4.31Å; P637-L681 HydrophobicContact CG-CD1 4.3Å; T638-L681 HydrophobicContact CG2-CD1 3.78Å; L677-L681 WeakPolarHBondContact O-CG 3.21Å; L677-L681 PolarHBondContact O-N 2.9Å; K678-L681 PolarHBondContact O-N 3.32Å; L681-Q683 VanDerWaalsContact C-N 3.32Å; L681-Q683 PolarHBondContact O-N 3.19Å |
| 682 | E | 70.5 | Confident | 78.4 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -30.2 | -177.1 | -74.8 | 178.1 | 177.4 | 0 | 0 | 113.8 | N423 K678 | N423-E682 PolarHBondContact ND2-OE1 2.75Å; K678-E682 VanDerWaalsContact CE-OE1 3.22Å; K678-E682 WeakPolarHBondContact CE-OE1 3.45Å; K678-E682 WeakPolarHBondContact O-CG 3.48Å; K678-E682 PolarHBondContact O-N 3.39Å |
| 683 | Q | 65.7 | Low | 78 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -89.2 | -8.8 | -173.2 | -66.4 | 179.8 | 12 | 0 | 0 | 114.2 | R350 A679 L681 | R350-Q683 WeakPolarHBondContact CD-O 3.32Å; R350-Q683 PolarHBondContact NE-O 3.1Å; R350-Q683 VanDerWaalsContact NE-O 3.12Å; R350-Q683 PolarHBondContact NH1-O 2.86Å; R350-Q683 PolarHBondContact NH2-O 3.49Å; A679-Q683 WeakPolarHBondContact O-CB 3.47Å; A679-Q683 WeakPolarHBondContact O-CG 3.49Å; A679-Q683 PolarHBondContact O-N 2.98Å; L681-Q683 VanDerWaalsContact C-N 3.32Å; L681-Q683 PolarHBondContact O-N 3.19Å |
| 684 | G | 64.8 | Low | 77.6 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -126.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116 | A353 | A353-G684 WeakPolarHBondContact CB-O 3.32Š|
| 685 | R | 66.8 | Low | 77.2 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 9% | 0.087 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -39 | -174.6 | 179.7 | -171 | 178.1 | -151.5 | -2.3 | 113.4 | E317 H324 Q346 Y349 T413 R687 L688 L689 | E317-R685 IonicContact OE1-CZ 3.76Å; E317-R685 IonicContact OE1-NH1 3.46Å; E317-R685 PolarHBondContact OE1-NH1 3.18Å; H324-R685 PolarHBondContact CD2-NH1 3.17Å; H324-R685 PolarHBondContact NE2-NH1 3.5Å; H324-R685 VanDerWaalsContact NE2-NH1 3.18Å; H324-R685 PolarHBondContact NE2-NH2 3.34Å; Q346-R685 VanDerWaalsContact NE2-NH1 3.19Å; Y349-R685 HydrophobicContact CD2-CG 4.44Å; T413-R685 PolarHBondContact OG1-NH2 2.97Å; R685-R687 PolarHBondContact O-N 2.89Å; R685-L688 WeakPolarHBondContact O-CB 3.22Å; R685-L688 PolarHBondContact O-N 2.8Å; R685-L688 VanDerWaalsContact O-N 3.08Å; R685-L689 HydrophobicContact CG-CD1 4.03Å; R685-L689 HydrophobicContact CG-CG 4.36Å; R685-L689 PolarHBondContact O-N 3.05Å |
| 686 | D | 69.1 | Low | 76.8 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -38.8 | -178.2 | -87.3 | 4.1 | 0 | 0 | 0 | 111.5 | R419 L688 L689 E690 | R419-D686 WeakPolarHBondContact CD-OD1 3.4Å; R419-D686 IonicContact CZ-OD1 3.25Å; R419-D686 IonicContact CZ-OD2 3.38Å; R419-D686 IonicContact NE-OD1 2.67Å; R419-D686 PolarHBondContact NE-OD1 3.29Å; R419-D686 IonicContact NE-OD2 3.29Å; R419-D686 PolarHBondContact NE-OD2 2.73Å; R419-D686 IonicContact NH2-OD2 2.81Å; R419-D686 PolarHBondContact NH2-OD2 2.96Å; D686-L688 PolarHBondContact O-N 3.25Å; D686-L689 PolarHBondContact O-N 2.9Å; D686-E690 WeakPolarHBondContact O-CB 3.48Å; D686-E690 PolarHBondContact O-N 3.4Å |
| 687 | R | 70.5 | Confident | 76.7 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 48% | 0.475 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 176.9 | -168.5 | 173.5 | -177 | -177 | 0 | 113 | R685 I691 | R685-R687 PolarHBondContact O-N 2.89Å; R687-I691 HydrophobicContact CG-CD1 4.17Å; R687-I691 VanDerWaalsContact O-CD1 3.32Å; R687-I691 WeakPolarHBondContact O-CD1 3.16Å; R687-I691 VanDerWaalsContact O-CG1 3.23Å; R687-I691 WeakPolarHBondContact O-CG1 3.22Å; R687-I691 PolarHBondContact O-N 2.93Å; R687-I691 VanDerWaalsContact O-N 3.1Å |
| 688 | L | 73.7 | Confident | 76.8 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 174.4 | -81.5 | 173.7 | 0 | 0 | 0 | 111.7 | V352 A353 V356 R685 D686 E690 I691 H692 | V352-L688 HydrophobicContact CB-CD1 4.19Å; V352-L688 HydrophobicContact CG1-CD1 4.11Å; V352-L688 HydrophobicContact CG1-CD2 4.39Å; A353-L688 VanDerWaalsContact CA-CG 3.46Å; A353-L688 HydrophobicContact CB-CD1 3.64Å; A353-L688 HydrophobicContact CB-CD2 4.19Å; A353-L688 HydrophobicContact CB-CG 3.52Å; V356-L688 HydrophobicContact CB-CD2 3.72Å; V356-L688 HydrophobicContact CG1-CD2 4.07Å; V356-L688 HydrophobicContact CG2-CD2 3.64Å; R685-L688 WeakPolarHBondContact O-CB 3.22Å; R685-L688 PolarHBondContact O-N 2.8Å; R685-L688 VanDerWaalsContact O-N 3.08Å; D686-L688 PolarHBondContact O-N 3.25Å; L688-E690 VanDerWaalsContact C-N 3.27Å; L688-E690 PolarHBondContact O-N 3.3Å; L688-I691 PolarHBondContact O-N 3.19Å; L688-H692 PolarHBondContact O-N 2.95Å |
| 689 | L | 77.3 | Confident | 77.1 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 179.4 | -66.5 | 170.7 | 0 | 0 | 0 | 111 | L417 R419 R685 D686 H692 S693 | L417-L689 HydrophobicContact CB-CD2 4.23Å; L417-L689 HydrophobicContact CD2-CD1 3.43Å; L417-L689 VanDerWaalsContact CD2-CD1 3.43Å; L417-L689 HydrophobicContact CD2-CD2 4.03Å; L417-L689 HydrophobicContact CD2-CG 4.4Å; L417-L689 HydrophobicContact CG-CD1 3.96Å; L417-L689 HydrophobicContact CG-CD2 4.03Å; R419-L689 HydrophobicContact CB-CB 4.07Å; R419-L689 HydrophobicContact CB-CD1 4.32Å; R419-L689 CarbonylContact O-C 3.46Å; R685-L689 HydrophobicContact CG-CD1 4.03Å; R685-L689 HydrophobicContact CG-CG 4.36Å; R685-L689 PolarHBondContact O-N 3.05Å; D686-L689 PolarHBondContact O-N 2.9Å; L689-H692 PolarHBondContact O-N 2.88Å; L689-S693 VanDerWaalsContact O-CB 3.23Å; L689-S693 WeakPolarHBondContact O-CB 3.42Å; L689-S693 PolarHBondContact O-N 3.13Å; L689-S693 PolarHBondContact O-OG 3.25Å |
| 690 | E | 79.9 | Confident | 77.6 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 178.1 | -172.6 | -175.1 | 127.8 | 0 | 0 | 112.2 | R419 T421 G424 D686 L688 H692 S693 N694 | R419-E690 WeakPolarHBondContact O-CA 3.4Å; R419-E690 PolarHBondContact O-N 3.2Å; T421-E690 WeakPolarHBondContact CG2-OE2 3.09Å; T421-E690 PolarHBondContact OG1-OE2 3.42Å; G424-E690 WeakPolarHBondContact CA-OE1 3.48Å; D686-E690 WeakPolarHBondContact O-CB 3.48Å; D686-E690 PolarHBondContact O-N 3.4Å; L688-E690 VanDerWaalsContact C-N 3.27Å; L688-E690 PolarHBondContact O-N 3.3Å; E690-H692 PolarHBondContact O-N 3.35Å; E690-S693 PolarHBondContact O-N 3.47Å; E690-N694 VanDerWaalsContact O-CB 3.22Å; E690-N694 WeakPolarHBondContact O-CB 3.48Å; E690-N694 PolarHBondContact O-N 3.18Å |
| 691 | I | 77.5 | Confident | 78.4 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.3 | -42.8 | 177.1 | -72.7 | 162 | 0 | 0 | 0 | 110.9 | V356 L360 M408 R687 L688 | V356-I691 HydrophobicContact CG1-CD1 3.96Å; V356-I691 HydrophobicContact CG1-CG2 4.22Å; L360-I691 HydrophobicContact CD1-CB 4.5Å; L360-I691 HydrophobicContact CD1-CD1 3.68Å; L360-I691 HydrophobicContact CD1-CG1 3.99Å; L360-I691 HydrophobicContact CD1-CG2 3.68Å; M408-I691 HydrophobicContact SD-CG2 4.23Å; R687-I691 HydrophobicContact CG-CD1 4.17Å; R687-I691 VanDerWaalsContact O-CD1 3.32Å; R687-I691 WeakPolarHBondContact O-CD1 3.16Å; R687-I691 VanDerWaalsContact O-CG1 3.23Å; R687-I691 WeakPolarHBondContact O-CG1 3.22Å; R687-I691 PolarHBondContact O-N 2.93Å; R687-I691 VanDerWaalsContact O-N 3.1Å; L688-I691 PolarHBondContact O-N 3.19Å |
| 692 | H | 79.4 | Confident | 79.4 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.6 | -45.1 | 177.8 | 178.6 | -96.9 | 0 | 0 | 0 | 112.3 | M408 S414 F418 L688 L689 E690 | M408-H692 HydrophobicContact SD-CB 3.73Å; S414-H692 PolarHBondContact O-CE1 3.33Å; S414-H692 PolarHBondContact O-ND1 3.39Å; F418-H692 AromaticContact CE1-CE1 3.66Å; F418-H692 AromaticContact CE1-ND1 3.94Å; L688-H692 PolarHBondContact O-N 2.95Å; L689-H692 PolarHBondContact O-N 2.88Å; E690-H692 PolarHBondContact O-N 3.35Å |
| 693 | S | 86 | Confident | 80.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.2 | -34.2 | -172.1 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | N160 F418 R419 L689 E690 G695 | N160-S693 PolarHBondContact ND2-O 2.96Å; N160-S693 VanDerWaalsContact ND2-O 3.13Å; F418-S693 VanDerWaalsContact CA-OG 3.31Å; F418-S693 WeakPolarHBondContact CA-OG 3.37Å; R419-S693 PolarHBondContact N-OG 3.04Å; L689-S693 VanDerWaalsContact O-CB 3.23Å; L689-S693 WeakPolarHBondContact O-CB 3.42Å; L689-S693 PolarHBondContact O-N 3.13Å; L689-S693 PolarHBondContact O-OG 3.25Å; E690-S693 PolarHBondContact O-N 3.47Å; S693-G695 VanDerWaalsContact C-N 3.3Å; S693-G695 PolarHBondContact O-N 3.35Å |
| 694 | N | 85.1 | Confident | 81.9 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -31.4 | -175.8 | -173.4 | -88.6 | 0 | 0 | 0 | 113.1 | N420 E690 G696 A699 | N420-N694 WeakPolarHBondContact OD1-CA 3.36Å; N420-N694 PolarHBondContact OD1-N 2.9Å; E690-N694 VanDerWaalsContact O-CB 3.22Å; E690-N694 WeakPolarHBondContact O-CB 3.48Å; E690-N694 PolarHBondContact O-N 3.18Å; N694-G696 PolarHBondContact O-N 2.86Å; N694-G696 PolarHBondContact OD1-N 3.36Å; N694-A699 WeakPolarHBondContact O-CB 3.5Å |
| 695 | G | 82 | Confident | 83.2 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | 71.9 | -11.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | N160 S693 E697 K698 A699 | N160-G695 WeakPolarHBondContact ND2-CA 3.38Å; S693-G695 VanDerWaalsContact C-N 3.3Å; S693-G695 PolarHBondContact O-N 3.35Å; G695-E697 PolarHBondContact O-N 2.92Å; G695-K698 PolarHBondContact O-N 2.83Å; G695-A699 PolarHBondContact O-N 3.33Å | ||
| 696 | G | 83.1 | Confident | 84.4 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | 54.6 | -131.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | N694 K698 A699 Q700 | N694-G696 PolarHBondContact O-N 2.86Å; N694-G696 PolarHBondContact OD1-N 3.36Å; G696-K698 VanDerWaalsContact C-N 3.35Å; G696-K698 PolarHBondContact O-N 3.14Å; G696-A699 WeakPolarHBondContact O-CB 3.34Å; G696-A699 PolarHBondContact O-N 3.31Å; G696-Q700 PolarHBondContact O-N 3.34Å; G696-Q700 VanDerWaalsContact O-N 3.13Å |
| 697 | E | 84.4 | Confident | 85.5 | Confident | 137 Ų | 137 | 49 Ų | 49 | 64% | 0.64 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.1 | -35.1 | -176 | -172.3 | 175.4 | -169.8 | 0 | 0 | 113.4 | G695 A699 Q700 T701 | G695-E697 PolarHBondContact O-N 2.92Å; E697-A699 VanDerWaalsContact C-N 3.29Å; E697-A699 PolarHBondContact O-N 3.07Å; E697-Q700 PolarHBondContact O-N 2.97Å; E697-T701 WeakPolarHBondContact O-CB 3.39Å; E697-T701 PolarHBondContact O-N 3.3Å; E697-T701 PolarHBondContact O-OG1 3.41Å |
| 698 | K | 86.2 | Confident | 86.5 | Confident | 105 Ų | 105 | 50.2 Ų | 50.2 | 46% | 0.457 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.8 | 177.4 | -167.8 | 165.7 | -151.8 | 0 | 110.8 | D164 G695 G696 L702 | D164-K698 IonicContact OD1-NZ 3.55Å; D164-K698 PolarHBondContact OD1-NZ 3.43Å; D164-K698 IonicContact OD2-NZ 3.59Å; G695-K698 PolarHBondContact O-N 2.83Å; G696-K698 VanDerWaalsContact C-N 3.35Å; G696-K698 PolarHBondContact O-N 3.14Å; K698-L702 WeakPolarHBondContact O-CB 3.24Å; K698-L702 PolarHBondContact O-N 3.17Å |
| 699 | A | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67 | -41 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | P156 N160 N694 G695 G696 E697 L702 A703 | P156-A699 HydrophobicContact CB-CB 3.76Å; P156-A699 WeakPolarHBondContact O-CB 3.43Å; N160-A699 HydrophobicContact CB-CB 3.8Å; N694-A699 WeakPolarHBondContact O-CB 3.5Å; G695-A699 PolarHBondContact O-N 3.33Å; G696-A699 WeakPolarHBondContact O-CB 3.34Å; G696-A699 PolarHBondContact O-N 3.31Å; E697-A699 VanDerWaalsContact C-N 3.29Å; E697-A699 PolarHBondContact O-N 3.07Å; A699-L702 PolarHBondContact O-N 3.39Å; A699-A703 PolarHBondContact O-N 3.1Å |
| 700 | Q | 90.9 | Very high | 87.7 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 176.4 | -175.9 | 59.4 | 35.3 | 0 | 0 | 111.4 | G696 E697 L702 A703 E704 | G696-Q700 PolarHBondContact O-N 3.34Å; G696-Q700 VanDerWaalsContact O-N 3.13Å; E697-Q700 PolarHBondContact O-N 2.97Å; Q700-L702 VanDerWaalsContact C-N 3.25Å; Q700-L702 PolarHBondContact O-N 2.85Å; Q700-A703 WeakPolarHBondContact O-CB 3.36Å; Q700-A703 PolarHBondContact O-N 2.63Å; Q700-A703 VanDerWaalsContact O-N 3.12Å; Q700-E704 WeakPolarHBondContact CG-OE1 3.28Å; Q700-E704 PolarHBondContact NE2-OE1 2.63Å; Q700-E704 WeakPolarHBondContact O-CG 3.26Å; Q700-E704 PolarHBondContact O-N 3.22Å |
| 701 | T | 92.8 | Very high | 88 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | E697 S705 | E697-T701 WeakPolarHBondContact O-CB 3.39Å; E697-T701 PolarHBondContact O-N 3.3Å; E697-T701 PolarHBondContact O-OG1 3.41Å; T701-S705 WeakPolarHBondContact O-CB 3.48Å; T701-S705 PolarHBondContact O-N 2.85Å; T701-S705 PolarHBondContact O-OG 2.99Å |
| 702 | L | 92.7 | Very high | 88.6 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.4 | 175.1 | 60.2 | 0 | 0 | 0 | 111.7 | Y144 L147 L159 H163 K698 A699 Q700 S705 I706 | Y144-L702 HydrophobicContact CD1-CD1 3.98Å; Y144-L702 HydrophobicContact CG-CD1 4.09Å; L147-L702 HydrophobicContact CD1-CD2 4.43Å; L159-L702 HydrophobicContact CB-CD2 3.99Å; L159-L702 HydrophobicContact CB-CG 4.49Å; H163-L702 HydrophobicContact CB-CD2 3.92Å; K698-L702 WeakPolarHBondContact O-CB 3.24Å; K698-L702 PolarHBondContact O-N 3.17Å; A699-L702 PolarHBondContact O-N 3.39Å; Q700-L702 VanDerWaalsContact C-N 3.25Å; Q700-L702 PolarHBondContact O-N 2.85Å; L702-S705 PolarHBondContact O-N 3.29Å; L702-I706 HydrophobicContact CD1-CD1 4.04Å; L702-I706 HydrophobicContact CD1-CG1 4.46Å; L702-I706 HydrophobicContact CG-CD1 4.21Å; L702-I706 WeakPolarHBondContact O-CG1 3.39Å; L702-I706 PolarHBondContact O-N 2.68Å |
| 703 | A | 93.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L154 P156 L159 A699 Q700 S705 I706 E707 | L154-A703 HydrophobicContact CB-CB 4.28Å; P156-A703 HydrophobicContact CG-CB 4.44Å; L159-A703 HydrophobicContact CD1-CB 3.74Å; A699-A703 PolarHBondContact O-N 3.1Å; Q700-A703 WeakPolarHBondContact O-CB 3.36Å; Q700-A703 PolarHBondContact O-N 2.63Å; Q700-A703 VanDerWaalsContact O-N 3.12Å; A703-S705 VanDerWaalsContact C-N 3.32Å; A703-S705 PolarHBondContact O-N 3.02Å; A703-I706 PolarHBondContact O-N 3.4Å; A703-I706 VanDerWaalsContact O-N 3.13Å; A703-E707 PolarHBondContact O-N 3.24Å |
| 704 | E | 94 | Very high | 89.5 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 178.1 | -70.6 | 168.2 | -169.6 | 0 | 0 | 112.2 | Q700 I706 E707 E708 | Q700-E704 WeakPolarHBondContact CG-OE1 3.28Å; Q700-E704 PolarHBondContact NE2-OE1 2.63Å; Q700-E704 WeakPolarHBondContact O-CG 3.26Å; Q700-E704 PolarHBondContact O-N 3.22Å; E704-I706 VanDerWaalsContact C-N 3.28Å; E704-I706 PolarHBondContact O-N 3.43Å; E704-E707 PolarHBondContact O-N 2.89Å; E704-E708 PolarHBondContact O-N 3.28Å |
| 705 | S | 92.9 | Very high | 90 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.3 | -31.5 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | T701 L702 A703 | T701-S705 WeakPolarHBondContact O-CB 3.48Å; T701-S705 PolarHBondContact O-N 2.85Å; T701-S705 PolarHBondContact O-OG 2.99Å; L702-S705 PolarHBondContact O-N 3.29Å; A703-S705 VanDerWaalsContact C-N 3.32Å; A703-S705 PolarHBondContact O-N 3.02Å |
| 706 | I | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -77.9 | -41.7 | 177 | -66 | 163.6 | 0 | 0 | 0 | 109.8 | Y144 L147 R148 L154 L159 L702 A703 E704 E708 Q709 D710 | Y144-I706 HydrophobicContact CD2-CG1 4.33Å; Y144-I706 HydrophobicContact CG-CG1 4.36Å; L147-I706 HydrophobicContact CB-CD1 4.37Å; L147-I706 WeakPolarHBondContact O-CD1 3.38Å; R148-I706 HydrophobicContact CG-CG1 3.98Å; R148-I706 HydrophobicContact CG-CG2 3.95Å; L154-I706 HydrophobicContact CD1-CB 4.01Å; L154-I706 HydrophobicContact CD1-CG2 3.72Å; L154-I706 HydrophobicContact CD2-CB 4.34Å; L154-I706 HydrophobicContact CD2-CG2 3.67Å; L154-I706 HydrophobicContact CG-CG2 4.36Å; L159-I706 HydrophobicContact CD1-CD1 4.23Å; L159-I706 HydrophobicContact CD2-CD1 3.99Å; L702-I706 HydrophobicContact CD1-CD1 4.04Å; L702-I706 HydrophobicContact CD1-CG1 4.46Å; L702-I706 HydrophobicContact CG-CD1 4.21Å; L702-I706 WeakPolarHBondContact O-CG1 3.39Å; L702-I706 PolarHBondContact O-N 2.68Å; A703-I706 PolarHBondContact O-N 3.4Å; A703-I706 VanDerWaalsContact O-N 3.13Å; E704-I706 VanDerWaalsContact C-N 3.28Å; E704-I706 PolarHBondContact O-N 3.43Å; I706-E708 PolarHBondContact O-N 3.29Å; I706-Q709 WeakPolarHBondContact O-CB 3.34Å; I706-Q709 PolarHBondContact O-N 3.5Å; I706-Q709 VanDerWaalsContact O-N 3.1Å; I706-D710 PolarHBondContact O-N 2.91Å |
| 707 | E | 92.3 | Very high | 91.2 | Very high | 115 Ų | 115 | 65.7 Ų | 65.7 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.9 | -169.6 | 175 | -165.2 | 0 | 0 | 111.9 | L154 A703 E704 Q709 D710 D711 | L154-E707 HydrophobicContact CD1-CB 3.99Å; A703-E707 PolarHBondContact O-N 3.24Å; E704-E707 PolarHBondContact O-N 2.89Å; E707-Q709 PolarHBondContact O-N 2.77Å; E707-Q709 VanDerWaalsContact O-N 3.14Å; E707-D710 WeakPolarHBondContact O-CB 3.45Å; E707-D710 PolarHBondContact O-N 2.98Å; E707-D711 PolarHBondContact O-N 2.74Å |
| 708 | E | 91.1 | Very high | 91.7 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.9 | -29.9 | 175.2 | -174.8 | 177.8 | -163.8 | 0 | 0 | 112.5 | E704 I706 | E704-E708 PolarHBondContact O-N 3.28Å; I706-E708 PolarHBondContact O-N 3.29Å |
| 709 | Q | 86.6 | Confident | 92.2 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -78.9 | -31.6 | 176.8 | -163.4 | -161.9 | -61.3 | 0 | 0 | 112.9 | I706 E707 D711 D712 | I706-Q709 WeakPolarHBondContact O-CB 3.34Å; I706-Q709 PolarHBondContact O-N 3.5Å; I706-Q709 VanDerWaalsContact O-N 3.1Å; E707-Q709 PolarHBondContact O-N 2.77Å; E707-Q709 VanDerWaalsContact O-N 3.14Å; Q709-D711 PolarHBondContact O-N 3.4Å; Q709-D712 VanDerWaalsContact O-CB 3.31Å; Q709-D712 WeakPolarHBondContact O-CB 3.24Å; Q709-D712 PolarHBondContact O-N 3.42Å |
| 710 | D | 89.2 | Confident | 92.5 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -29.2 | 175.8 | -66 | -28.2 | 0 | 0 | 0 | 110.8 | I706 E707 D712 R765 | I706-D710 PolarHBondContact O-N 2.91Å; E707-D710 WeakPolarHBondContact O-CB 3.45Å; E707-D710 PolarHBondContact O-N 2.98Å; D710-D712 VanDerWaalsContact C-N 3.29Å; D710-D712 PolarHBondContact O-N 3.3Å; D710-R765 IonicContact OD1-CZ 2.66Å; D710-R765 IonicContact OD1-NH2 2.65Å; D710-R765 PolarHBondContact OD1-NH2 3.42Å; D710-R765 IonicContact OD2-CZ 2.82Å; D710-R765 VanDerWaalsContact OD2-CZ 3.22Å; D710-R765 IonicContact OD2-NE 2.78Å; D710-R765 PolarHBondContact OD2-NE 2.69Å; D710-R765 IonicContact OD2-NH2 3.94Å; D710-R765 PolarHBondContact OD2-NH2 3.03Å |
| 711 | D | 86.9 | Confident | 92.7 | Very high | 131 Ų | 131 | 54.1 Ų | 54.1 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -6.1 | 173.1 | -74.4 | -24.2 | 0 | 0 | 0 | 114.2 | E707 Q709 T713 | E707-D711 PolarHBondContact O-N 2.74Å; Q709-D711 PolarHBondContact O-N 3.4Å; D711-T713 PolarHBondContact O-N 2.73Å |
| 712 | D | 90.1 | Very high | 92.8 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | trans | -75.5 | 107.6 | -176.7 | -172.9 | 4.2 | 0 | 0 | 0 | 113 | Q709 D710 N714 L715 | Q709-D712 VanDerWaalsContact O-CB 3.31Å; Q709-D712 WeakPolarHBondContact O-CB 3.24Å; Q709-D712 PolarHBondContact O-N 3.42Å; D710-D712 VanDerWaalsContact C-N 3.29Å; D710-D712 PolarHBondContact O-N 3.3Å; D712-N714 PolarHBondContact O-N 2.81Å; D712-N714 VanDerWaalsContact O-N 3.14Å; D712-N714 VanDerWaalsContact OD1-CB 3.29Å; D712-N714 WeakPolarHBondContact OD1-CB 3.39Å; D712-N714 VanDerWaalsContact OD1-CG 3.24Å; D712-N714 PolarHBondContact OD1-N 2.77Å; D712-N714 PolarHBondContact OD1-ND2 2.8Å; D712-N714 PolarHBondContact OD2-ND2 3.21Å; D712-L715 PolarHBondContact O-N 3.44Å | ||
| 713 | T | 91.5 | Very high | 93 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 61% | 0.613 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.7 | -14.4 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 115.4 | D711 L715 I716 A717 | D711-T713 PolarHBondContact O-N 2.73Å; T713-L715 VanDerWaalsContact C-N 3.3Å; T713-L715 PolarHBondContact O-N 3.02Å; T713-I716 PolarHBondContact O-N 2.99Å; T713-A717 PolarHBondContact O-N 3.5Å |
| 714 | N | 93.1 | Very high | 93 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 178.4 | -72.1 | -52.8 | 0 | 0 | 0 | 112.1 | Y135 D712 F718 | Y135-N714 HydrophobicContact CE1-CB 4.17Å; Y135-N714 PolarHBondContact OH-OD1 2.73Å; D712-N714 PolarHBondContact O-N 2.81Å; D712-N714 VanDerWaalsContact O-N 3.14Å; D712-N714 VanDerWaalsContact OD1-CB 3.29Å; D712-N714 WeakPolarHBondContact OD1-CB 3.39Å; D712-N714 VanDerWaalsContact OD1-CG 3.24Å; D712-N714 PolarHBondContact OD1-N 2.77Å; D712-N714 PolarHBondContact OD1-ND2 2.8Å; D712-N714 PolarHBondContact OD2-ND2 3.21Å; N714-F718 VanDerWaalsContact O-CB 3.25Å; N714-F718 WeakPolarHBondContact O-CB 3.36Å; N714-F718 PolarHBondContact O-N 3.16Å |
| 715 | L | 94.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.7 | 171.7 | 61.6 | 0 | 0 | 0 | 110.8 | D712 T713 F718 A719 F763 I777 W779 | D712-L715 PolarHBondContact O-N 3.44Å; T713-L715 VanDerWaalsContact C-N 3.3Å; T713-L715 PolarHBondContact O-N 3.02Å; L715-F718 PolarHBondContact O-N 3.39Å; L715-A719 VanDerWaalsContact O-CB 3.22Å; L715-A719 WeakPolarHBondContact O-CB 3.23Å; L715-A719 PolarHBondContact O-N 2.78Å; L715-F763 HydrophobicContact CD2-CD1 4.05Å; L715-F763 HydrophobicContact CD2-CE1 4.4Å; L715-F763 HydrophobicContact CG-CD1 4.06Å; L715-F763 HydrophobicContact CG-CE1 4.05Å; L715-I777 WeakPolarHBondContact CD2-O 3.33Å; L715-W779 HydrophobicContact CB-CZ2 3.9Å; L715-W779 HydrophobicContact CD1-CD2 3.7Å; L715-W779 HydrophobicContact CD1-CE3 3.95Å; L715-W779 HydrophobicContact CD1-CG 4.17Å; L715-W779 HydrophobicContact CD1-CH2 4.22Å; L715-W779 HydrophobicContact CD1-CZ2 4Å; L715-W779 HydrophobicContact CD1-CZ3 4.2Å |
| 716 | I | 94.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.1 | -52.9 | 180 | -53.6 | 179.7 | 0 | 0 | 0 | 109.2 | T713 F718 A719 M720 F763 | T713-I716 PolarHBondContact O-N 2.99Å; I716-F718 VanDerWaalsContact C-N 3.29Å; I716-F718 PolarHBondContact O-N 2.81Å; I716-A719 PolarHBondContact O-N 2.78Å; I716-M720 HydrophobicContact CG2-CG 4.25Å; I716-M720 WeakPolarHBondContact O-CB 3.18Å; I716-M720 WeakPolarHBondContact O-CG 3.34Å; I716-M720 PolarHBondContact O-N 2.74Å; I716-F763 HydrophobicContact CD1-CB 4.03Å; I716-F763 HydrophobicContact CD1-CG 4.29Å; I716-F763 HydrophobicContact CG1-CB 3.87Å; I716-F763 HydrophobicContact CG1-CD1 3.87Å; I716-F763 HydrophobicContact CG1-CD2 4.14Å; I716-F763 HydrophobicContact CG1-CE1 4.45Å; I716-F763 HydrophobicContact CG1-CG 3.69Å; I716-F763 HydrophobicContact CG2-CD2 4.3Å; I716-F763 HydrophobicContact CG2-CE2 4.33Å |
| 717 | A | 94.4 | Very high | 92.7 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 54% | 0.537 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | T713 N721 | T713-A717 PolarHBondContact O-N 3.5Å; A717-N721 WeakPolarHBondContact O-CB 3.38Å; A717-N721 PolarHBondContact O-N 2.87Å |
| 718 | F | 96.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -49.6 | 176.5 | 177.2 | -96.2 | 0 | 0 | 0 | 112.1 | L128 R131 A132 Y135 N714 L715 I716 N721 L722 W779 I784 L788 | L128-F718 HydrophobicContact CD1-CD2 3.89Å; L128-F718 HydrophobicContact CD1-CE2 3.45Å; L128-F718 VanDerWaalsContact CD1-CE2 3.45Å; L128-F718 HydrophobicContact CD1-CZ 4.02Å; L128-F718 HydrophobicContact CG-CE2 4.46Å; R131-F718 HydrophobicContact CB-CD2 4.07Å; R131-F718 HydrophobicContact CB-CE2 4.12Å; A132-F718 HydrophobicContact CB-CE2 4.06Å; A132-F718 HydrophobicContact CB-CZ 4Å; Y135-F718 HydrophobicContact CD2-CB 4.47Å; Y135-F718 AromaticContact CD2-CD2 3.79Å; Y135-F718 HydrophobicContact CD2-CD2 3.79Å; Y135-F718 HydrophobicContact CD2-CE2 4.32Å; Y135-F718 HydrophobicContact CD2-CG 4.17Å; Y135-F718 HydrophobicContact CE2-CB 4.26Å; Y135-F718 HydrophobicContact CE2-CD2 4.02Å; Y135-F718 HydrophobicContact CE2-CG 4.38Å; N714-F718 VanDerWaalsContact O-CB 3.25Å; N714-F718 WeakPolarHBondContact O-CB 3.36Å; N714-F718 PolarHBondContact O-N 3.16Å; L715-F718 PolarHBondContact O-N 3.39Å; I716-F718 VanDerWaalsContact C-N 3.29Å; I716-F718 PolarHBondContact O-N 2.81Å; F718-N721 PolarHBondContact O-N 3.47Å; F718-L722 HydrophobicContact CE1-CB 4.4Å; F718-L722 HydrophobicContact CE1-CD2 3.88Å; F718-L722 HydrophobicContact CZ-CD2 4.42Å; F718-L722 WeakPolarHBondContact O-CB 3.44Å; F718-L722 PolarHBondContact O-N 2.6Å; F718-W779 HydrophobicContact CB-CH2 3.81Å; F718-W779 AromaticContact CD1-CH2 3.6Å; F718-W779 HydrophobicContact CD1-CH2 3.6Å; F718-W779 AromaticContact CD1-CZ3 3.42Å; F718-W779 HydrophobicContact CD1-CZ3 3.42Å; F718-W779 VanDerWaalsContact CD1-CZ3 3.42Å; F718-W779 HydrophobicContact CD2-CH2 4.45Å; F718-W779 HydrophobicContact CE1-CH2 4.33Å; F718-W779 AromaticContact CE1-CZ3 3.75Å; F718-W779 HydrophobicContact CE1-CZ3 3.75Å; F718-W779 AromaticContact CG-CH2 3.68Å; F718-W779 HydrophobicContact CG-CH2 3.68Å; F718-W779 AromaticContact CG-CZ3 3.97Å; F718-W779 HydrophobicContact CG-CZ3 3.97Å; F718-I784 HydrophobicContact CE1-CG2 4.47Å; F718-L788 HydrophobicContact CE1-CD2 3.87Å; F718-L788 HydrophobicContact CE1-CG 4.32Å; F718-L788 HydrophobicContact CE2-CD2 4.5Å; F718-L788 HydrophobicContact CZ-CD2 3.47Å; F718-L788 VanDerWaalsContact CZ-CD2 3.47Å; F718-L788 HydrophobicContact CZ-CG 4.34Å |
| 719 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L715 I716 N721 L722 F723 F763 I784 | L715-A719 VanDerWaalsContact O-CB 3.22Å; L715-A719 WeakPolarHBondContact O-CB 3.23Å; L715-A719 PolarHBondContact O-N 2.78Å; I716-A719 PolarHBondContact O-N 2.78Å; A719-N721 VanDerWaalsContact C-N 3.29Å; A719-N721 PolarHBondContact O-N 3.34Å; A719-L722 WeakPolarHBondContact O-CB 3.14Å; A719-L722 PolarHBondContact O-N 3.27Å; A719-F723 HydrophobicContact CB-CE2 4.06Å; A719-F723 HydrophobicContact CB-CZ 4.39Å; A719-F723 WeakPolarHBondContact O-CD2 3.17Å; A719-F723 WeakPolarHBondContact O-CG 3.33Å; A719-F723 PolarHBondContact O-N 3.4Å; A719-F763 HydrophobicContact CB-CE1 3.73Å; A719-F763 HydrophobicContact CB-CZ 3.65Å; A719-I784 HydrophobicContact CB-CD1 3.7Å |
| 720 | M | 95.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 176.3 | -63.5 | -60.4 | 93.5 | 0 | 0 | 111.6 | I716 F723 D724 Q730 I738 I761 F763 | I716-M720 HydrophobicContact CG2-CG 4.25Å; I716-M720 WeakPolarHBondContact O-CB 3.18Å; I716-M720 WeakPolarHBondContact O-CG 3.34Å; I716-M720 PolarHBondContact O-N 2.74Å; M720-F723 HydrophobicContact CE-CD2 3.86Å; M720-F723 HydrophobicContact CE-CE2 3.97Å; M720-D724 WeakPolarHBondContact O-CB 3.4Å; M720-D724 PolarHBondContact O-N 3.23Å; M720-D724 VanDerWaalsContact O-N 3.07Å; M720-Q730 PolarHBondContact O-NE2 3.33Å; M720-Q730 PolarHBondContact SD-OE1 2.89Å; M720-I738 HydrophobicContact CE-CD1 3.78Å; M720-I738 HydrophobicContact SD-CD1 3.61Å; M720-I761 HydrophobicContact CE-CD1 4.39Å; M720-F763 HydrophobicContact CE-CE2 3.53Å; M720-F763 HydrophobicContact CE-CZ 3.55Å |
| 721 | N | 95 | Very high | 93.7 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | 177.7 | -171.1 | -106.5 | 0 | 0 | 0 | 112.6 | L128 A717 F718 A719 I725 | L128-N721 WeakPolarHBondContact CD1-OD1 3.23Å; A717-N721 WeakPolarHBondContact O-CB 3.38Å; A717-N721 PolarHBondContact O-N 2.87Å; F718-N721 PolarHBondContact O-N 3.47Å; A719-N721 VanDerWaalsContact C-N 3.29Å; A719-N721 PolarHBondContact O-N 3.34Å; N721-I725 WeakPolarHBondContact O-CB 3.36Å; N721-I725 WeakPolarHBondContact O-CG1 3.35Å; N721-I725 PolarHBondContact O-N 2.88Å |
| 722 | L | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 174.6 | 173.3 | 63.1 | 0 | 0 | 0 | 110.9 | L128 F718 A719 D724 I725 I726 I784 I791 | L128-L722 HydrophobicContact CD1-CB 4.23Å; L128-L722 HydrophobicContact CD2-CB 4.47Å; L128-L722 HydrophobicContact CD2-CD1 3.96Å; F718-L722 HydrophobicContact CE1-CB 4.4Å; F718-L722 HydrophobicContact CE1-CD2 3.88Å; F718-L722 HydrophobicContact CZ-CD2 4.42Å; F718-L722 WeakPolarHBondContact O-CB 3.44Å; F718-L722 PolarHBondContact O-N 2.6Å; A719-L722 WeakPolarHBondContact O-CB 3.14Å; A719-L722 PolarHBondContact O-N 3.27Å; L722-D724 PolarHBondContact O-N 2.87Å; L722-I725 PolarHBondContact O-N 2.85Å; L722-I726 HydrophobicContact CD1-CD1 3.72Å; L722-I726 HydrophobicContact CD1-CG1 4.23Å; L722-I726 HydrophobicContact CG-CD1 3.89Å; L722-I726 VanDerWaalsContact O-CG1 3.29Å; L722-I726 WeakPolarHBondContact O-CG1 3.31Å; L722-I726 PolarHBondContact O-N 2.94Å; L722-I784 HydrophobicContact CD2-CD1 4.36Å; L722-I791 HydrophobicContact CD1-CG1 3.67Å |
| 723 | F | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 178.9 | -61.5 | -31.4 | 0 | 0 | 0 | 112.1 | A719 M720 I725 I726 G727 I728 Q730 L740 I761 L783 I784 | A719-F723 HydrophobicContact CB-CE2 4.06Å; A719-F723 HydrophobicContact CB-CZ 4.39Å; A719-F723 WeakPolarHBondContact O-CD2 3.17Å; A719-F723 WeakPolarHBondContact O-CG 3.33Å; A719-F723 PolarHBondContact O-N 3.4Å; M720-F723 HydrophobicContact CE-CD2 3.86Å; M720-F723 HydrophobicContact CE-CE2 3.97Å; F723-I725 PolarHBondContact O-N 3.05Å; F723-I726 PolarHBondContact O-N 2.91Å; F723-G727 PolarHBondContact O-N 3.09Å; F723-I728 HydrophobicContact CB-CB 4.17Å; F723-I728 HydrophobicContact CD1-CD1 4Å; F723-I728 PolarHBondContact O-N 3.45Å; F723-Q730 HydrophobicContact CB-CG 4.23Å; F723-L740 HydrophobicContact CD2-CD1 4.04Å; F723-L740 HydrophobicContact CD2-CD2 3.9Å; F723-L740 HydrophobicContact CE1-CD1 4.27Å; F723-L740 HydrophobicContact CE2-CD1 3.72Å; F723-L740 HydrophobicContact CE2-CD2 4.26Å; F723-L740 HydrophobicContact CG-CD1 4.47Å; F723-L740 HydrophobicContact CG-CD2 4.45Å; F723-L740 HydrophobicContact CZ-CD1 3.85Å; F723-I761 HydrophobicContact CE2-CD1 3.87Å; F723-L783 HydrophobicContact CE1-CB 4.49Å; F723-I784 HydrophobicContact CE1-CD1 4.29Å; F723-I784 HydrophobicContact CZ-CD1 3.88Å |
| 724 | D | 93.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 175 | -176.9 | 54.3 | 0 | 0 | 0 | 111.8 | M720 L722 G727 | M720-D724 WeakPolarHBondContact O-CB 3.4Å; M720-D724 PolarHBondContact O-N 3.23Å; M720-D724 VanDerWaalsContact O-N 3.07Å; L722-D724 PolarHBondContact O-N 2.87Å; D724-G727 PolarHBondContact O-N 3.49Å; D724-G727 VanDerWaalsContact O-N 3.08Å |
| 725 | I | 91.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -37 | 178.3 | -76.5 | 170.1 | 0 | 0 | 0 | 112.2 | R125 L128 N721 L722 F723 G727 L747 I791 | R125-I725 HydrophobicContact CG-CD1 4.47Å; R125-I725 HydrophobicContact CG-CG2 4.21Å; L128-I725 HydrophobicContact CB-CD1 3.57Å; L128-I725 HydrophobicContact CD2-CB 3.84Å; L128-I725 HydrophobicContact CD2-CD1 3.42Å; L128-I725 VanDerWaalsContact CD2-CD1 3.42Å; L128-I725 HydrophobicContact CD2-CG1 4.17Å; L128-I725 HydrophobicContact CD2-CG2 3.87Å; L128-I725 HydrophobicContact CG-CD1 4.03Å; N721-I725 WeakPolarHBondContact O-CB 3.36Å; N721-I725 WeakPolarHBondContact O-CG1 3.35Å; N721-I725 PolarHBondContact O-N 2.88Å; L722-I725 PolarHBondContact O-N 2.85Å; F723-I725 PolarHBondContact O-N 3.05Å; I725-G727 PolarHBondContact O-N 2.9Å; I725-L747 HydrophobicContact CG2-CD1 4.25Å; I725-L747 VanDerWaalsContact O-CD1 3.31Å; I725-L747 WeakPolarHBondContact O-CD1 3.13Å; I725-L747 WeakPolarHBondContact O-CG 3.36Å; I725-I791 HydrophobicContact CG2-CD1 4.06Å |
| 726 | I | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -26 | 172.9 | -65 | 168.3 | 0 | 0 | 0 | 110.6 | L722 F723 I728 M746 L747 F751 L790 | L722-I726 HydrophobicContact CD1-CD1 3.72Å; L722-I726 HydrophobicContact CD1-CG1 4.23Å; L722-I726 HydrophobicContact CG-CD1 3.89Å; L722-I726 VanDerWaalsContact O-CG1 3.29Å; L722-I726 WeakPolarHBondContact O-CG1 3.31Å; L722-I726 PolarHBondContact O-N 2.94Å; F723-I726 PolarHBondContact O-N 2.91Å; I726-I728 HydrophobicContact CB-CD1 4.23Å; I726-I728 HydrophobicContact CB-CG1 4.3Å; I726-I728 HydrophobicContact CG2-CD1 3.83Å; I726-I728 HydrophobicContact CG2-CG1 3.85Å; I726-M746 HydrophobicContact CG2-CE 4.43Å; I726-M746 CarbonylContact O-C 3.54Å; I726-M746 WeakPolarHBondContact O-CA 3.46Å; I726-L747 PolarHBondContact O-N 2.84Å; I726-F751 HydrophobicContact CD1-CD2 4.36Å; I726-F751 HydrophobicContact CD1-CE2 3.71Å; I726-F751 HydrophobicContact CD1-CZ 3.86Å; I726-F751 HydrophobicContact CG2-CD2 4.3Å; I726-L790 HydrophobicContact CD1-CD2 4.31Å; I726-L790 HydrophobicContact CG1-CD2 4.15Å |
| 727 | G | 91.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 24.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F723 D724 I725 S743 M746 | F723-G727 PolarHBondContact O-N 3.09Å; D724-G727 PolarHBondContact O-N 3.49Å; D724-G727 VanDerWaalsContact O-N 3.08Å; I725-G727 PolarHBondContact O-N 2.9Å; G727-S743 VanDerWaalsContact O-CB 3.24Å; G727-S743 WeakPolarHBondContact O-CB 3.4Å; G727-S743 PolarHBondContact O-OG 3.13Å; G727-M746 VanDerWaalsContact O-CG 3.28Å; G727-M746 WeakPolarHBondContact O-CG 3.16Å |
| 728 | I | 94.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | trans | -82.3 | 129.9 | 175.4 | -63.8 | 167.7 | 0 | 0 | 0 | 108.3 | F723 I726 L740 M746 F751 L754 | F723-I728 HydrophobicContact CB-CB 4.17Å; F723-I728 HydrophobicContact CD1-CD1 4Å; F723-I728 PolarHBondContact O-N 3.45Å; I726-I728 HydrophobicContact CB-CD1 4.23Å; I726-I728 HydrophobicContact CB-CG1 4.3Å; I726-I728 HydrophobicContact CG2-CD1 3.83Å; I726-I728 HydrophobicContact CG2-CG1 3.85Å; I728-L740 HydrophobicContact CG2-CB 3.88Å; I728-L740 HydrophobicContact CG2-CD2 4.12Å; I728-L740 HydrophobicContact CG2-CG 4.41Å; I728-M746 HydrophobicContact CG1-CE 4.05Å; I728-M746 HydrophobicContact CG1-SD 4.32Å; I728-F751 HydrophobicContact CD1-CD1 3.87Å; I728-F751 HydrophobicContact CD1-CE1 4.22Å; I728-F751 HydrophobicContact CD1-CG 4.21Å; I728-L754 HydrophobicContact CD1-CD2 4.08Å; I728-L754 HydrophobicContact CG1-CD2 3.95Å; I728-L754 HydrophobicContact CG2-CD2 4.05Å | ||
| 729 | N | 94.5 | Very high | 92.1 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 141.2 | 176.2 | -68.3 | -37.7 | 0 | 0 | 0 | 110 | L740 T741 P742 S743 | N729-L740 WeakPolarHBondContact O-CA 3.48Å; N729-T741 VanDerWaalsContact CB-OG1 3.29Å; N729-T741 WeakPolarHBondContact CB-OG1 3.42Å; N729-T741 PolarHBondContact N-O 3.31Å; N729-T741 PolarHBondContact O-N 3.08Å; N729-T741 VanDerWaalsContact O-N 3.13Å; N729-P742 PolarHBondContact ND2-O 3Å; N729-S743 WeakPolarHBondContact ND2-CB 3.5Å |
| 730 | Q | 95.1 | Very high | 92 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 109.1 | -175.8 | -64.5 | 169.4 | 68.4 | 0 | 0 | 109.1 | M720 F723 I738 L740 | M720-Q730 PolarHBondContact O-NE2 3.33Å; M720-Q730 PolarHBondContact SD-OE1 2.89Å; F723-Q730 HydrophobicContact CB-CG 4.23Å; Q730-I738 HydrophobicContact CB-CG2 4.27Å; Q730-L740 HydrophobicContact CB-CD2 4.45Å; Q730-L740 HydrophobicContact CG-CD2 3.72Å |
| 731 | D | 95 | Very high | 92 | Very high | 97 Ų | 97 | 50 Ų | 50 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.8 | 179 | -68.5 | -47.9 | 0 | 0 | 0 | 110.5 | R733 I738 V739 | D731-R733 PolarHBondContact O-N 3.32Å; D731-I738 CarbonylContact O-C 3.55Å; D731-I738 WeakPolarHBondContact O-CA 3.34Å; D731-V739 HydrophobicContact CB-CB 4.37Å; D731-V739 PolarHBondContact N-O 3.05Å; D731-V739 PolarHBondContact O-N 2.89Å |
| 732 | D | 92.6 | Very high | 91.9 | Very high | 134 Ų | 134 | 50.5 Ų | 50.5 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.4 | 175 | -174.9 | -3.8 | 0 | 0 | 0 | 110.2 | G734 | D732-G734 PolarHBondContact OD1-N 3.26Å |
| 733 | R | 84.4 | Confident | 91.5 | Very high | 139 Ų | 139 | 51.8 Ų | 51.8 | 53% | 0.525 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -1.5 | 180 | -152.7 | -174.3 | 175.8 | -170.2 | -1.9 | 112.7 | D731 M737 V739 D773 | D731-R733 PolarHBondContact O-N 3.32Å; R733-M737 HydrophobicContact CB-CB 4.35Å; R733-M737 PolarHBondContact N-O 2.97Å; R733-V739 HydrophobicContact CB-CG2 4.31Å; R733-V739 HydrophobicContact CG-CG2 4.47Å; R733-D773 IonicContact NH1-OD2 2.99Å; R733-D773 PolarHBondContact NH1-OD2 2.87Å |
| 734 | G | 83.2 | Confident | 90.9 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.7 | 174.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D732 N736 M737 | D732-G734 PolarHBondContact OD1-N 3.26Å; G734-N736 VanDerWaalsContact C-N 3.28Å; G734-N736 PolarHBondContact O-N 3.47Å; G734-M737 WeakPolarHBondContact O-CB 3.36Å; G734-M737 PolarHBondContact O-N 2.81Å |
| 735 | D | 80.3 | Confident | 90.3 | Very high | 128 Ų | 128 | 62.4 Ų | 62.4 | 68% | 0.684 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 40.1 | 179.1 | -54.9 | -29.7 | 0 | 0 | 0 | 114.4 | M737 | D735-M737 HydrophobicContact CB-CE 3.89Å; D735-M737 PolarHBondContact O-N 2.94Å |
| 736 | N | 87.7 | Confident | 90 | Very high | 106 Ų | 106 | 63 Ų | 63 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 18.9 | -177.2 | -58 | -20.7 | 0 | 0 | 0 | 114.9 | G734 T762 D764 | G734-N736 VanDerWaalsContact C-N 3.28Å; G734-N736 PolarHBondContact O-N 3.47Å; N736-T762 PolarHBondContact O-OG1 2.89Å; N736-D764 HydrophobicContact CB-CB 4.33Å; N736-D764 PolarHBondContact ND2-OD2 3.24Å |
| 737 | M | 90.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.02 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.3 | 177.1 | -64.2 | 178.9 | -77.5 | 0 | 0 | 112.9 | R733 G734 D735 T760 I761 V767 R771 | R733-M737 HydrophobicContact CB-CB 4.35Å; R733-M737 PolarHBondContact N-O 2.97Å; G734-M737 WeakPolarHBondContact O-CB 3.36Å; G734-M737 PolarHBondContact O-N 2.81Å; D735-M737 HydrophobicContact CB-CE 3.89Å; D735-M737 PolarHBondContact O-N 2.94Å; M737-T760 HydrophobicContact CB-CG2 4.14Å; M737-T760 HydrophobicContact CG-CG2 4.42Å; M737-T760 HydrophobicContact SD-CG2 4.22Å; M737-I761 WeakPolarHBondContact CA-O 3.21Å; M737-V767 HydrophobicContact CG-CG1 4Å; M737-R771 VanDerWaalsContact CE-NH1 3.28Å; M737-R771 HydrophobicContact SD-CG 4.3Å |
| 738 | I | 95 | Very high | 88.9 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.2 | 177.7 | -61.1 | 159.8 | 0 | 0 | 0 | 108.9 | M720 Q730 D731 L740 I761 F763 | M720-I738 HydrophobicContact CE-CD1 3.78Å; M720-I738 HydrophobicContact SD-CD1 3.61Å; Q730-I738 HydrophobicContact CB-CG2 4.27Å; D731-I738 CarbonylContact O-C 3.55Å; D731-I738 WeakPolarHBondContact O-CA 3.34Å; I738-L740 HydrophobicContact CG2-CD2 4.06Å; I738-I761 HydrophobicContact CB-CD1 4.37Å; I738-I761 HydrophobicContact CB-CG1 3.92Å; I738-I761 HydrophobicContact CG2-CG1 4.44Å; I738-I761 PolarHBondContact N-O 3.21Å; I738-I761 VanDerWaalsContact O-CG1 3.29Å; I738-I761 WeakPolarHBondContact O-CG1 3.41Å; I738-I761 PolarHBondContact O-N 2.98Å; I738-F763 HydrophobicContact CD1-CE2 4.11Å |
| 739 | V | 94.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 19% | 0.194 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.9 | 172.9 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | D731 R733 T741 I759 | D731-V739 HydrophobicContact CB-CB 4.37Å; D731-V739 PolarHBondContact N-O 3.05Å; D731-V739 PolarHBondContact O-N 2.89Å; R733-V739 HydrophobicContact CB-CG2 4.31Å; R733-V739 HydrophobicContact CG-CG2 4.47Å; V739-T741 HydrophobicContact CG1-CG2 4.13Å; V739-I759 CarbonylContact C-O 3.56Å; V739-I759 WeakPolarHBondContact CA-O 3.33Å |
| 740 | L | 95.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.3 | 173.8 | -59.1 | -175.7 | 0 | 0 | 0 | 109.3 | F723 I728 N729 Q730 I738 L754 G758 I759 I761 L783 | F723-L740 HydrophobicContact CD2-CD1 4.04Å; F723-L740 HydrophobicContact CD2-CD2 3.9Å; F723-L740 HydrophobicContact CE1-CD1 4.27Å; F723-L740 HydrophobicContact CE2-CD1 3.72Å; F723-L740 HydrophobicContact CE2-CD2 4.26Å; F723-L740 HydrophobicContact CG-CD1 4.47Å; F723-L740 HydrophobicContact CG-CD2 4.45Å; F723-L740 HydrophobicContact CZ-CD1 3.85Å; I728-L740 HydrophobicContact CG2-CB 3.88Å; I728-L740 HydrophobicContact CG2-CD2 4.12Å; I728-L740 HydrophobicContact CG2-CG 4.41Å; N729-L740 WeakPolarHBondContact O-CA 3.48Å; Q730-L740 HydrophobicContact CB-CD2 4.45Å; Q730-L740 HydrophobicContact CG-CD2 3.72Å; I738-L740 HydrophobicContact CG2-CD2 4.06Å; L740-L754 HydrophobicContact CB-CD1 3.91Å; L740-G758 CarbonylContact O-C 3.56Å; L740-G758 WeakPolarHBondContact O-CA 3.26Å; L740-I759 HydrophobicContact CB-CG1 3.94Å; L740-I759 HydrophobicContact CD1-CD1 4.37Å; L740-I759 HydrophobicContact CD1-CG1 4.45Å; L740-I759 PolarHBondContact N-O 2.66Å; L740-I759 PolarHBondContact O-N 3.28Å; L740-I761 HydrophobicContact CD1-CD1 3.77Å; L740-I761 HydrophobicContact CD1-CG1 4.24Å; L740-I761 HydrophobicContact CD1-CG2 3.97Å; L740-I761 HydrophobicContact CD2-CD1 4.18Å; L740-I761 HydrophobicContact CG-CD1 3.96Å; L740-I761 HydrophobicContact CG-CG1 4.08Å; L740-I761 HydrophobicContact CG-CG2 4.3Å; L740-L783 HydrophobicContact CD1-CD1 4.44Å |
| 741 | T | 94.5 | Very high | 86.8 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.3 | 174.4 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | N729 V739 | N729-T741 VanDerWaalsContact CB-OG1 3.29Å; N729-T741 WeakPolarHBondContact CB-OG1 3.42Å; N729-T741 PolarHBondContact N-O 3.31Å; N729-T741 PolarHBondContact O-N 3.08Å; N729-T741 VanDerWaalsContact O-N 3.13Å; V739-T741 HydrophobicContact CG1-CG2 4.13Å |
| 742 | P | 92.7 | Very high | 86.1 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 31% | 0.312 | 39% | 0.388 | S | S | . | . | trans | -57.6 | 153 | 171.2 | -23.2 | 33.2 | 0 | 0 | 0 | 112.3 | N729 M746 L754 S755 | N729-P742 PolarHBondContact ND2-O 3Å; P742-M746 VanDerWaalsContact CA-SD 3.56Å; P742-M746 HydrophobicContact CB-SD 3.83Å; P742-L754 HydrophobicContact CB-CD2 4.41Å; P742-L754 HydrophobicContact CG-CD2 3.91Å; P742-L754 HydrophobicContact CG-CG 4.01Å; P742-S755 WeakPolarHBondContact CD-O 3.33Å; P742-S755 WeakPolarHBondContact CG-O 3.45Å | ||
| 743 | S | 88.2 | Confident | 85.7 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | trans | -131.2 | 157.8 | 173.3 | 92.5 | 0 | 0 | 0 | 0 | 111.9 | G727 N729 H745 M746 | G727-S743 VanDerWaalsContact O-CB 3.24Å; G727-S743 WeakPolarHBondContact O-CB 3.4Å; G727-S743 PolarHBondContact O-OG 3.13Å; N729-S743 WeakPolarHBondContact ND2-CB 3.5Å; S743-H745 PolarHBondContact O-N 3.05Å; S743-H745 PolarHBondContact OG-N 3.03Å; S743-M746 PolarHBondContact N-SD 3.32Å; S743-M746 VanDerWaalsContact N-SD 3.41Å; S743-M746 WeakPolarHBondContact O-CG 3.38Å; S743-M746 PolarHBondContact O-N 3.47Å | ||
| 744 | D | 82.7 | Confident | 85.9 | Confident | 167 Ų | 167 | 60 Ų | 60 | 89% | 0.893 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -3.9 | 176.5 | -63.8 | -27.1 | 0 | 0 | 0 | 113.9 | ||
| 745 | H | 82 | Confident | 86 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 76% | 0.755 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | 15.9 | -175.5 | -59.5 | -30.6 | 0 | 0 | 0 | 112.9 | S743 | S743-H745 PolarHBondContact O-N 3.05Å; S743-H745 PolarHBondContact OG-N 3.03Å |
| 746 | M | 84.7 | Confident | 86.1 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | trans | -61.9 | 146.8 | 177.3 | -72.6 | 174.5 | 58.2 | 0 | 0 | 112.2 | I726 G727 I728 P742 S743 V748 F751 L754 | I726-M746 HydrophobicContact CG2-CE 4.43Å; I726-M746 CarbonylContact O-C 3.54Å; I726-M746 WeakPolarHBondContact O-CA 3.46Å; G727-M746 VanDerWaalsContact O-CG 3.28Å; G727-M746 WeakPolarHBondContact O-CG 3.16Å; I728-M746 HydrophobicContact CG1-CE 4.05Å; I728-M746 HydrophobicContact CG1-SD 4.32Å; P742-M746 VanDerWaalsContact CA-SD 3.56Å; P742-M746 HydrophobicContact CB-SD 3.83Å; S743-M746 PolarHBondContact N-SD 3.32Å; S743-M746 VanDerWaalsContact N-SD 3.41Å; S743-M746 WeakPolarHBondContact O-CG 3.38Å; S743-M746 PolarHBondContact O-N 3.47Å; M746-V748 WeakPolarHBondContact CB-O 3.35Å; M746-V748 PolarHBondContact O-N 2.96Å; M746-F751 HydrophobicContact CE-CB 3.52Å; M746-L754 HydrophobicContact CE-CD2 4.13Å; M746-L754 HydrophobicContact SD-CD2 4.38Å | ||
| 747 | L | 78.8 | Confident | 86 | Confident | 50 Ų | 50 | 66 Ų | 66 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -62.7 | -30.6 | 176 | -69.8 | -178 | 0 | 0 | 0 | 112.4 | I725 I726 | I725-L747 HydrophobicContact CG2-CD1 4.25Å; I725-L747 VanDerWaalsContact O-CD1 3.31Å; I725-L747 WeakPolarHBondContact O-CD1 3.13Å; I725-L747 WeakPolarHBondContact O-CG 3.36Å; I726-L747 PolarHBondContact O-N 2.84Å |
| 748 | V | 79.5 | Confident | 85.9 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -127.7 | 141.7 | 173.9 | -67.6 | 0 | 0 | 0 | 0 | 108.5 | M746 D750 F751 L790 | M746-V748 WeakPolarHBondContact CB-O 3.35Å; M746-V748 PolarHBondContact O-N 2.96Å; V748-D750 VanDerWaalsContact C-N 3.3Å; V748-D750 WeakPolarHBondContact CG2-O 3.31Å; V748-D750 PolarHBondContact O-N 2.86Å; V748-F751 HydrophobicContact CG2-CB 4.38Å; V748-F751 HydrophobicContact CG2-CD2 4.16Å; V748-L790 HydrophobicContact CG1-CD1 3.74Å; V748-L790 HydrophobicContact CG1-CD2 4.29Å; V748-L790 HydrophobicContact CG2-CD2 4.12Å |
| 749 | P | 74.1 | Confident | 85.7 | Confident | 117 Ų | 117 | 65.9 Ų | 65.9 | 76% | 0.76 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -61.9 | -39.5 | -177.9 | 23.4 | -32.3 | 0 | 0 | 0 | 112 | ||
| 750 | D | 80.1 | Confident | 85.6 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 69% | 0.69 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -121.1 | 124.6 | 178.2 | -60.1 | -48.2 | 0 | 0 | 0 | 109.6 | V748 | V748-D750 VanDerWaalsContact C-N 3.3Å; V748-D750 WeakPolarHBondContact CG2-O 3.31Å; V748-D750 PolarHBondContact O-N 2.86Å |
| 751 | F | 85.5 | Confident | 85.6 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.035 | 37% | 0.368 | C | S | . | . | trans | -103.7 | 115.5 | 175.1 | -172 | -108.1 | 0 | 0 | 0 | 110.2 | I726 I728 M746 V748 G753 L754 L783 N786 L790 | I726-F751 HydrophobicContact CD1-CD2 4.36Å; I726-F751 HydrophobicContact CD1-CE2 3.71Å; I726-F751 HydrophobicContact CD1-CZ 3.86Å; I726-F751 HydrophobicContact CG2-CD2 4.3Å; I728-F751 HydrophobicContact CD1-CD1 3.87Å; I728-F751 HydrophobicContact CD1-CE1 4.22Å; I728-F751 HydrophobicContact CD1-CG 4.21Å; M746-F751 HydrophobicContact CE-CB 3.52Å; V748-F751 HydrophobicContact CG2-CB 4.38Å; V748-F751 HydrophobicContact CG2-CD2 4.16Å; F751-G753 PolarHBondContact O-N 2.94Å; F751-G753 VanDerWaalsContact O-N 3.12Å; F751-L754 HydrophobicContact CB-CB 4.3Å; F751-L754 HydrophobicContact CB-CD2 4.49Å; F751-L754 HydrophobicContact CD1-CB 4.25Å; F751-L754 WeakPolarHBondContact O-CB 3.32Å; F751-L754 PolarHBondContact O-N 3.09Å; F751-L783 HydrophobicContact CD1-CD2 3.92Å; F751-L783 HydrophobicContact CE1-CB 4.34Å; F751-L783 HydrophobicContact CE1-CD2 3.69Å; F751-L783 WeakPolarHBondContact CZ-O 3.42Å; F751-N786 HydrophobicContact CE2-CB 4.38Å; F751-N786 HydrophobicContact CZ-CB 4.11Å; F751-L790 HydrophobicContact CD2-CD2 4.3Å; F751-L790 HydrophobicContact CE2-CD2 4.11Å | ||
| 752 | P | 82.2 | Confident | 85.6 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 119.8 | -173.4 | -25.2 | 33.6 | 0 | 0 | 0 | 112.7 | N786 | P752-N786 PolarHBondContact O-ND2 2.68Š|
| 753 | G | 82.7 | Confident | 85.7 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | -13.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F751 | F751-G753 PolarHBondContact O-N 2.94Å; F751-G753 VanDerWaalsContact O-N 3.12Å |
| 754 | L | 88.7 | Confident | 85.9 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | trans | -97.6 | 117.5 | 173.5 | -176.8 | 64.7 | 0 | 0 | 0 | 109.8 | I728 L740 P742 M746 F751 I759 | I728-L754 HydrophobicContact CD1-CD2 4.08Å; I728-L754 HydrophobicContact CG1-CD2 3.95Å; I728-L754 HydrophobicContact CG2-CD2 4.05Å; L740-L754 HydrophobicContact CB-CD1 3.91Å; P742-L754 HydrophobicContact CB-CD2 4.41Å; P742-L754 HydrophobicContact CG-CD2 3.91Å; P742-L754 HydrophobicContact CG-CG 4.01Å; M746-L754 HydrophobicContact CE-CD2 4.13Å; M746-L754 HydrophobicContact SD-CD2 4.38Å; F751-L754 HydrophobicContact CB-CB 4.3Å; F751-L754 HydrophobicContact CB-CD2 4.49Å; F751-L754 HydrophobicContact CD1-CB 4.25Å; F751-L754 WeakPolarHBondContact O-CB 3.32Å; F751-L754 PolarHBondContact O-N 3.09Å; L754-I759 HydrophobicContact CD1-CD1 4.06Å; L754-I759 HydrophobicContact CD1-CG1 3.81Å | ||
| 755 | S | 85.3 | Confident | 86.4 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | trans | -76.9 | 157.8 | 174.5 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | P742 D757 G758 I759 | P742-S755 WeakPolarHBondContact CD-O 3.33Å; P742-S755 WeakPolarHBondContact CG-O 3.45Å; S755-D757 VanDerWaalsContact C-N 3.26Å; S755-D757 PolarHBondContact O-N 3.07Å; S755-G758 WeakPolarHBondContact O-CA 3.34Å; S755-G758 PolarHBondContact O-N 3.42Å; S755-G758 PolarHBondContact OG-O 3.37Å; S755-I759 VanDerWaalsContact OG-CG2 3.26Å; S755-I759 WeakPolarHBondContact OG-CG2 3.02Å | ||
| 756 | E | 83.1 | Confident | 86.6 | Confident | 177 Ų | 177 | 54.7 Ų | 54.7 | 83% | 0.827 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.8 | 173.3 | -68.6 | -172.7 | 174.5 | 0 | 0 | 112.4 | G758 | E756-G758 PolarHBondContact O-N 3.15Š|
| 757 | D | 84.9 | Confident | 86.7 | Confident | 159 Ų | 159 | 54.7 Ų | 54.7 | 85% | 0.85 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.4 | 177 | -65.7 | -39.2 | 0 | 0 | 0 | 113.7 | S755 | S755-D757 VanDerWaalsContact C-N 3.26Å; S755-D757 PolarHBondContact O-N 3.07Å |
| 758 | G | 89.4 | Confident | 87.2 | Confident | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | trans | 77.1 | 173.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L740 S755 E756 | L740-G758 CarbonylContact O-C 3.56Å; L740-G758 WeakPolarHBondContact O-CA 3.26Å; S755-G758 WeakPolarHBondContact O-CA 3.34Å; S755-G758 PolarHBondContact O-N 3.42Å; S755-G758 PolarHBondContact OG-O 3.37Å; E756-G758 PolarHBondContact O-N 3.15Å | ||
| 759 | I | 91.7 | Very high | 87.5 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.9 | -177.6 | 60.5 | 178.2 | 0 | 0 | 0 | 110.4 | V739 L740 L754 S755 I761 L783 | V739-I759 CarbonylContact C-O 3.56Å; V739-I759 WeakPolarHBondContact CA-O 3.33Å; L740-I759 HydrophobicContact CB-CG1 3.94Å; L740-I759 HydrophobicContact CD1-CD1 4.37Å; L740-I759 HydrophobicContact CD1-CG1 4.45Å; L740-I759 PolarHBondContact N-O 2.66Å; L740-I759 PolarHBondContact O-N 3.28Å; L754-I759 HydrophobicContact CD1-CD1 4.06Å; L754-I759 HydrophobicContact CD1-CG1 3.81Å; S755-I759 VanDerWaalsContact OG-CG2 3.26Å; S755-I759 WeakPolarHBondContact OG-CG2 3.02Å; I759-I761 HydrophobicContact CD1-CG2 4.06Å; I759-I761 HydrophobicContact CG1-CG2 4.14Å; I759-L783 HydrophobicContact CD1-CD1 3.38Å; I759-L783 HydrophobicContact CD1-CD2 4.2Å; I759-L783 HydrophobicContact CD1-CG 4.36Å |
| 760 | T | 92.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.4 | 170.7 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | M737 A774 Q775 | M737-T760 HydrophobicContact CB-CG2 4.14Å; M737-T760 HydrophobicContact CG-CG2 4.42Å; M737-T760 HydrophobicContact SD-CG2 4.22Å; T760-A774 HydrophobicContact CG2-CB 4.18Å; T760-A774 WeakPolarHBondContact O-CA 3.45Å; T760-Q775 PolarHBondContact O-N 2.97Å |
| 761 | I | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.6 | -179.9 | 67 | 156.9 | 0 | 0 | 0 | 110.9 | M720 F723 M737 I738 L740 I759 F763 Q775 I777 L783 | M720-I761 HydrophobicContact CE-CD1 4.39Å; F723-I761 HydrophobicContact CE2-CD1 3.87Å; M737-I761 WeakPolarHBondContact CA-O 3.21Å; I738-I761 HydrophobicContact CB-CD1 4.37Å; I738-I761 HydrophobicContact CB-CG1 3.92Å; I738-I761 HydrophobicContact CG2-CG1 4.44Å; I738-I761 PolarHBondContact N-O 3.21Å; I738-I761 VanDerWaalsContact O-CG1 3.29Å; I738-I761 WeakPolarHBondContact O-CG1 3.41Å; I738-I761 PolarHBondContact O-N 2.98Å; L740-I761 HydrophobicContact CD1-CD1 3.77Å; L740-I761 HydrophobicContact CD1-CG1 4.24Å; L740-I761 HydrophobicContact CD1-CG2 3.97Å; L740-I761 HydrophobicContact CD2-CD1 4.18Å; L740-I761 HydrophobicContact CG-CD1 3.96Å; L740-I761 HydrophobicContact CG-CG1 4.08Å; L740-I761 HydrophobicContact CG-CG2 4.3Å; I759-I761 HydrophobicContact CD1-CG2 4.06Å; I759-I761 HydrophobicContact CG1-CG2 4.14Å; I761-F763 HydrophobicContact CD1-CE2 4.05Å; I761-F763 HydrophobicContact CD1-CZ 4.19Å; I761-Q775 CarbonylContact C-O 3.54Å; I761-Q775 WeakPolarHBondContact CA-O 3.3Å; I761-Q775 HydrophobicContact CG2-CB 4.43Å; I761-I777 HydrophobicContact CB-CD1 4.04Å; I761-I777 HydrophobicContact CB-CG1 3.65Å; I761-I777 HydrophobicContact CD1-CG1 3.92Å; I761-I777 HydrophobicContact CG1-CG1 4.35Å; I761-I777 HydrophobicContact CG2-CD1 3.81Å; I761-I777 HydrophobicContact CG2-CG1 4.01Å; I761-L783 HydrophobicContact CG2-CD1 4.4Å |
| 762 | T | 94.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.7 | 169.7 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | N736 D764 V767 A768 A774 Q775 I777 | N736-T762 PolarHBondContact O-OG1 2.89Å; T762-D764 PolarHBondContact OG1-N 3.36Å; T762-D764 VanDerWaalsContact OG1-N 3.07Å; T762-D764 PolarHBondContact OG1-O 2.89Å; T762-V767 HydrophobicContact CG2-CG1 4.32Å; T762-A768 HydrophobicContact CG2-CB 3.53Å; T762-A774 HydrophobicContact CG2-CB 3.93Å; T762-Q775 PolarHBondContact N-O 2.94Å; T762-I777 PolarHBondContact O-N 3.1Å |
| 763 | F | 94.9 | Very high | 86.6 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -100.1 | -4.9 | 171.9 | -61.9 | -90.1 | 0 | 0 | 0 | 112.1 | L715 I716 A719 M720 I738 I761 I777 | L715-F763 HydrophobicContact CD2-CD1 4.05Å; L715-F763 HydrophobicContact CD2-CE1 4.4Å; L715-F763 HydrophobicContact CG-CD1 4.06Å; L715-F763 HydrophobicContact CG-CE1 4.05Å; I716-F763 HydrophobicContact CD1-CB 4.03Å; I716-F763 HydrophobicContact CD1-CG 4.29Å; I716-F763 HydrophobicContact CG1-CB 3.87Å; I716-F763 HydrophobicContact CG1-CD1 3.87Å; I716-F763 HydrophobicContact CG1-CD2 4.14Å; I716-F763 HydrophobicContact CG1-CE1 4.45Å; I716-F763 HydrophobicContact CG1-CG 3.69Å; I716-F763 HydrophobicContact CG2-CD2 4.3Å; I716-F763 HydrophobicContact CG2-CE2 4.33Å; A719-F763 HydrophobicContact CB-CE1 3.73Å; A719-F763 HydrophobicContact CB-CZ 3.65Å; M720-F763 HydrophobicContact CE-CE2 3.53Å; M720-F763 HydrophobicContact CE-CZ 3.55Å; I738-F763 HydrophobicContact CD1-CE2 4.11Å; I761-F763 HydrophobicContact CD1-CE2 4.05Å; I761-F763 HydrophobicContact CD1-CZ 4.19Å; F763-I777 HydrophobicContact CD1-CB 3.84Å; F763-I777 HydrophobicContact CD1-CG2 3.94Å; F763-I777 HydrophobicContact CE1-CB 3.69Å; F763-I777 HydrophobicContact CE1-CG2 3.37Å; F763-I777 HydrophobicContact CZ-CB 4.21Å; F763-I777 HydrophobicContact CZ-CG2 4.01Å |
| 764 | D | 92.5 | Very high | 86.8 | Confident | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | trans | -97.4 | 120.1 | -179 | -178.5 | -39.6 | 0 | 0 | 0 | 109.1 | N736 T762 E766 V767 A768 | N736-D764 HydrophobicContact CB-CB 4.33Å; N736-D764 PolarHBondContact ND2-OD2 3.24Å; T762-D764 PolarHBondContact OG1-N 3.36Å; T762-D764 VanDerWaalsContact OG1-N 3.07Å; T762-D764 PolarHBondContact OG1-O 2.89Å; D764-E766 WeakPolarHBondContact OD1-CB 3.49Å; D764-E766 PolarHBondContact OD1-N 2.87Å; D764-V767 HydrophobicContact CB-CB 3.98Å; D764-V767 HydrophobicContact CB-CG2 3.89Å; D764-V767 PolarHBondContact O-N 3.26Å; D764-V767 PolarHBondContact OD1-N 2.88Å; D764-A768 WeakPolarHBondContact O-CB 3.39Å; D764-A768 PolarHBondContact O-N 3.41Å | ||
| 765 | R | 92.2 | Very high | 86.9 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | -177.8 | -177.5 | -179 | -63.2 | -76 | -9.9 | 111.7 | R148 Q150 T152 D710 V767 A768 L769 F776 | R148-R765 PolarHBondContact O-NH2 3.24Å; Q150-R765 PolarHBondContact O-NH1 2.75Å; T152-R765 PolarHBondContact O-NH1 3.01Å; D710-R765 IonicContact OD1-CZ 2.66Å; D710-R765 IonicContact OD1-NH2 2.65Å; D710-R765 PolarHBondContact OD1-NH2 3.42Å; D710-R765 IonicContact OD2-CZ 2.82Å; D710-R765 VanDerWaalsContact OD2-CZ 3.22Å; D710-R765 IonicContact OD2-NE 2.78Å; D710-R765 PolarHBondContact OD2-NE 2.69Å; D710-R765 IonicContact OD2-NH2 3.94Å; D710-R765 PolarHBondContact OD2-NH2 3.03Å; R765-V767 VanDerWaalsContact C-N 3.35Å; R765-V767 PolarHBondContact O-N 3.38Å; R765-A768 CarbonylContact O-C 3.54Å; R765-A768 WeakPolarHBondContact O-CB 3.45Å; R765-A768 PolarHBondContact O-N 3.2Å; R765-A768 VanDerWaalsContact O-N 3.12Å; R765-L769 HydrophobicContact CG-CD1 4.06Å; R765-L769 HydrophobicContact CG-CG 4.32Å; R765-L769 VanDerWaalsContact O-CG 3.26Å; R765-L769 WeakPolarHBondContact O-CG 3.5Å; R765-L769 PolarHBondContact O-N 3.12Å; R765-F776 HydrophobicContact CB-CE2 3.88Å; R765-F776 HydrophobicContact CB-CZ 3.91Å; R765-F776 HydrophobicContact CG-CZ 4.41Å; R765-F776 VanDerWaalsContact CZ-CE1 3.45Å |
| 766 | E | 87.4 | Confident | 87.3 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | -177.9 | -69.2 | -58.5 | 121.8 | 0 | 0 | 110.7 | D764 A768 L769 A770 | D764-E766 WeakPolarHBondContact OD1-CB 3.49Å; D764-E766 PolarHBondContact OD1-N 2.87Å; E766-A768 VanDerWaalsContact C-N 3.32Å; E766-A768 PolarHBondContact O-N 3.01Å; E766-L769 PolarHBondContact O-N 3.39Å; E766-A770 WeakPolarHBondContact O-CB 3.23Å; E766-A770 PolarHBondContact O-N 3.27Å |
| 767 | V | 86.5 | Confident | 87.9 | Confident | 28 Ų | 28 | 44 Ų | 44 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 171.5 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | M737 T762 D764 R765 L769 A770 R771 | M737-V767 HydrophobicContact CG-CG1 4Å; T762-V767 HydrophobicContact CG2-CG1 4.32Å; D764-V767 HydrophobicContact CB-CB 3.98Å; D764-V767 HydrophobicContact CB-CG2 3.89Å; D764-V767 PolarHBondContact O-N 3.26Å; D764-V767 PolarHBondContact OD1-N 2.88Å; R765-V767 VanDerWaalsContact C-N 3.35Å; R765-V767 PolarHBondContact O-N 3.38Å; V767-L769 VanDerWaalsContact C-N 3.32Å; V767-L769 PolarHBondContact O-N 3.14Å; V767-A770 PolarHBondContact O-N 3.08Å; V767-R771 HydrophobicContact CG1-CG 4.34Å; V767-R771 VanDerWaalsContact O-CB 3.28Å; V767-R771 WeakPolarHBondContact O-CB 3.5Å; V767-R771 PolarHBondContact O-N 3.32Å |
| 768 | A | 89 | Confident | 88.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -32.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R151 T762 D764 R765 E766 F776 | R151-A768 WeakPolarHBondContact CD-O 3.39Å; R151-A768 HydrophobicContact CG-CB 3.89Å; T762-A768 HydrophobicContact CG2-CB 3.53Å; D764-A768 WeakPolarHBondContact O-CB 3.39Å; D764-A768 PolarHBondContact O-N 3.41Å; R765-A768 CarbonylContact O-C 3.54Å; R765-A768 WeakPolarHBondContact O-CB 3.45Å; R765-A768 PolarHBondContact O-N 3.2Å; R765-A768 VanDerWaalsContact O-N 3.12Å; E766-A768 VanDerWaalsContact C-N 3.32Å; E766-A768 PolarHBondContact O-N 3.01Å; A768-F776 HydrophobicContact CB-CB 3.67Å; A768-F776 HydrophobicContact CB-CD2 3.98Å; A768-F776 HydrophobicContact CB-CG 4.07Å |
| 769 | L | 85.8 | Confident | 88.5 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 29% | 0.288 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -72.3 | -37 | 175.3 | -69 | 174.3 | 0 | 0 | 0 | 111.5 | R151 S153 R765 E766 V767 | R151-L769 HydrophobicContact CG-CD2 4.44Å; S153-L769 WeakPolarHBondContact OG-CD1 3.45Å; R765-L769 HydrophobicContact CG-CD1 4.06Å; R765-L769 HydrophobicContact CG-CG 4.32Å; R765-L769 VanDerWaalsContact O-CG 3.26Å; R765-L769 WeakPolarHBondContact O-CG 3.5Å; R765-L769 PolarHBondContact O-N 3.12Å; E766-L769 PolarHBondContact O-N 3.39Å; V767-L769 VanDerWaalsContact C-N 3.32Å; V767-L769 PolarHBondContact O-N 3.14Å |
| 770 | A | 76.5 | Confident | 88.6 | Confident | 82 Ų | 82 | 36.8 Ų | 36.8 | 68% | 0.678 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -76.7 | -29.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E766 V767 | E766-A770 WeakPolarHBondContact O-CB 3.23Å; E766-A770 PolarHBondContact O-N 3.27Å; V767-A770 PolarHBondContact O-N 3.08Å |
| 771 | R | 76.2 | Confident | 88.6 | Confident | 77 Ų | 77 | 35.9 Ų | 35.9 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | trans | -114.6 | 96.5 | -173.7 | -67.5 | -67.9 | -62.4 | -99.7 | -8.6 | 111.7 | M737 V767 D773 A774 | M737-R771 VanDerWaalsContact CE-NH1 3.28Å; M737-R771 HydrophobicContact SD-CG 4.3Å; V767-R771 HydrophobicContact CG1-CG 4.34Å; V767-R771 VanDerWaalsContact O-CB 3.28Å; V767-R771 WeakPolarHBondContact O-CB 3.5Å; V767-R771 PolarHBondContact O-N 3.32Å; R771-D773 IonicContact CZ-OD1 3.1Å; R771-D773 IonicContact CZ-OD2 3.3Å; R771-D773 IonicContact NE-OD1 2.77Å; R771-D773 PolarHBondContact NE-OD1 3.07Å; R771-D773 IonicContact NE-OD2 2.68Å; R771-D773 IonicContact NH2-OD1 3.03Å; R771-D773 PolarHBondContact NH2-OD1 3.36Å; R771-D773 IonicContact NH2-OD2 3.48Å; R771-D773 PolarHBondContact NH2-OD2 3.39Å; R771-D773 PolarHBondContact O-N 3.07Å; R771-A774 HydrophobicContact CB-CB 4.04Å; R771-A774 PolarHBondContact O-N 3.34Å | ||
| 772 | E | 72.6 | Confident | 88.5 | Confident | 116 Ų | 116 | 37.8 Ų | 37.8 | 54% | 0.542 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.8 | -179.7 | -64.7 | -161.9 | 158.2 | 0 | 0 | 114 | R151 R221 A774 | R151-E772 PolarHBondContact NH1-O 3.28Å; R221-E772 IonicContact CZ-OE2 2.6Å; R221-E772 IonicContact NH1-OE1 3.4Å; R221-E772 IonicContact NH1-OE2 3.47Å; R221-E772 PolarHBondContact NH1-OE2 2.96Å; E772-A774 VanDerWaalsContact C-N 3.26Å; E772-A774 PolarHBondContact O-N 3.47Å |
| 773 | D | 77.4 | Confident | 88.4 | Confident | 78 Ų | 78 | 37.9 Ų | 37.9 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.3 | 177.7 | 64.4 | -44.1 | 0 | 0 | 0 | 113.5 | R733 R771 | R733-D773 IonicContact NH1-OD2 2.99Å; R733-D773 PolarHBondContact NH1-OD2 2.87Å; R771-D773 IonicContact CZ-OD1 3.1Å; R771-D773 IonicContact CZ-OD2 3.3Å; R771-D773 IonicContact NE-OD1 2.77Å; R771-D773 PolarHBondContact NE-OD1 3.07Å; R771-D773 IonicContact NE-OD2 2.68Å; R771-D773 IonicContact NH2-OD1 3.03Å; R771-D773 PolarHBondContact NH2-OD1 3.36Å; R771-D773 IonicContact NH2-OD2 3.48Å; R771-D773 PolarHBondContact NH2-OD2 3.39Å; R771-D773 PolarHBondContact O-N 3.07Å |
| 774 | A | 86.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 133.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R151 T760 T762 R771 E772 | R151-A774 PolarHBondContact NH1-O 3.31Å; T760-A774 HydrophobicContact CG2-CB 4.18Å; T760-A774 WeakPolarHBondContact O-CA 3.45Å; T762-A774 HydrophobicContact CG2-CB 3.93Å; R771-A774 HydrophobicContact CB-CB 4.04Å; R771-A774 PolarHBondContact O-N 3.34Å; E772-A774 VanDerWaalsContact C-N 3.26Å; E772-A774 PolarHBondContact O-N 3.47Å |
| 775 | Q | 91.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 27% | 0.266 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.5 | 169.2 | -63.6 | -176.7 | 19.8 | 0 | 0 | 110.1 | T760 I761 T762 H781 | T760-Q775 PolarHBondContact O-N 2.97Å; I761-Q775 CarbonylContact C-O 3.54Å; I761-Q775 WeakPolarHBondContact CA-O 3.3Å; I761-Q775 HydrophobicContact CG2-CB 4.43Å; T762-Q775 PolarHBondContact N-O 2.94Å; Q775-H781 PolarHBondContact OE1-CE1 3.41Å; Q775-H781 PolarHBondContact OE1-NE2 3.4Å |
| 776 | F | 94.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113.6 | 178 | -179.2 | -129 | 0 | 0 | 0 | 110.5 | R151 R765 A768 T778 H781 | R151-F776 HydrophobicContact CB-CB 4.06Å; R151-F776 HydrophobicContact CG-CB 3.89Å; R765-F776 HydrophobicContact CB-CE2 3.88Å; R765-F776 HydrophobicContact CB-CZ 3.91Å; R765-F776 HydrophobicContact CG-CZ 4.41Å; R765-F776 VanDerWaalsContact CZ-CE1 3.45Å; A768-F776 HydrophobicContact CB-CB 3.67Å; A768-F776 HydrophobicContact CB-CD2 3.98Å; A768-F776 HydrophobicContact CB-CG 4.07Å; F776-T778 HydrophobicContact CD1-CG2 3.61Å; F776-T778 HydrophobicContact CE1-CG2 3.17Å; F776-T778 HydrophobicContact CE2-CG2 4.37Å; F776-T778 HydrophobicContact CG-CG2 4.36Å; F776-T778 HydrophobicContact CZ-CG2 3.62Å; F776-H781 PolarHBondContact O-CD2 3.37Å |
| 777 | I | 95.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -90.6 | 122.3 | -176.1 | -56.6 | -58.5 | 0 | 0 | 0 | 110.4 | L715 I761 T762 F763 H781 L783 I784 | L715-I777 WeakPolarHBondContact CD2-O 3.33Å; I761-I777 HydrophobicContact CB-CD1 4.04Å; I761-I777 HydrophobicContact CB-CG1 3.65Å; I761-I777 HydrophobicContact CD1-CG1 3.92Å; I761-I777 HydrophobicContact CG1-CG1 4.35Å; I761-I777 HydrophobicContact CG2-CD1 3.81Å; I761-I777 HydrophobicContact CG2-CG1 4.01Å; T762-I777 PolarHBondContact O-N 3.1Å; F763-I777 HydrophobicContact CD1-CB 3.84Å; F763-I777 HydrophobicContact CD1-CG2 3.94Å; F763-I777 HydrophobicContact CE1-CB 3.69Å; F763-I777 HydrophobicContact CE1-CG2 3.37Å; F763-I777 HydrophobicContact CZ-CB 4.21Å; F763-I777 HydrophobicContact CZ-CG2 4.01Å; I777-H781 HydrophobicContact CD1-CB 4.49Å; I777-L783 HydrophobicContact CD1-CD1 3.96Å; I777-I784 HydrophobicContact CG2-CD1 3.87Å; I777-I784 HydrophobicContact CG2-CG1 3.67Å | ||
| 778 | T | 94.3 | Very high | 88.5 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | -132.3 | 174.1 | 174.5 | 66.8 | 0 | 0 | 0 | 0 | 109.5 | G149 F776 E780 H781 I784 | G149-T778 WeakPolarHBondContact CA-OG1 3.44Å; F776-T778 HydrophobicContact CD1-CG2 3.61Å; F776-T778 HydrophobicContact CE1-CG2 3.17Å; F776-T778 HydrophobicContact CE2-CG2 4.37Å; F776-T778 HydrophobicContact CG-CG2 4.36Å; F776-T778 HydrophobicContact CZ-CG2 3.62Å; T778-E780 PolarHBondContact O-N 3.04Å; T778-E780 PolarHBondContact OG1-N 3.4Å; T778-H781 VanDerWaalsContact O-CB 3.31Å; T778-H781 WeakPolarHBondContact O-CB 3.24Å; T778-H781 PolarHBondContact O-N 3.16Å; T778-H781 VanDerWaalsContact O-N 3.13Å; T778-H781 PolarHBondContact OG1-N 3.27Å; T778-I784 WeakPolarHBondContact O-CG1 3.41Å | ||
| 779 | W | 92.9 | Very high | 88.3 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.7 | 170 | -68.3 | 110.1 | 0 | 0 | 0 | 114 | Y135 Q139 L715 F718 I784 | Y135-W779 HydrophobicContact CD1-CH2 4.09Å; Y135-W779 HydrophobicContact CD1-CZ2 4.09Å; Y135-W779 AromaticContact CD2-CH2 3.56Å; Y135-W779 HydrophobicContact CD2-CH2 3.56Å; Y135-W779 HydrophobicContact CD2-CZ2 4.31Å; Y135-W779 HydrophobicContact CD2-CZ3 4.3Å; Y135-W779 HydrophobicContact CE2-CH2 4.22Å; Y135-W779 AromaticContact CG-CH2 3.49Å; Y135-W779 HydrophobicContact CG-CH2 3.49Å; Y135-W779 VanDerWaalsContact CG-CH2 3.49Å; Y135-W779 AromaticContact CG-CZ2 3.96Å; Y135-W779 HydrophobicContact CG-CZ2 3.96Å; Y135-W779 HydrophobicContact CG-CZ3 4.15Å; Q139-W779 HydrophobicContact CG-CB 3.91Å; Q139-W779 HydrophobicContact CG-CD2 3.97Å; Q139-W779 HydrophobicContact CG-CE3 4.42Å; Q139-W779 HydrophobicContact CG-CG 3.73Å; L715-W779 HydrophobicContact CB-CZ2 3.9Å; L715-W779 HydrophobicContact CD1-CD2 3.7Å; L715-W779 HydrophobicContact CD1-CE3 3.95Å; L715-W779 HydrophobicContact CD1-CG 4.17Å; L715-W779 HydrophobicContact CD1-CH2 4.22Å; L715-W779 HydrophobicContact CD1-CZ2 4Å; L715-W779 HydrophobicContact CD1-CZ3 4.2Å; F718-W779 HydrophobicContact CB-CH2 3.81Å; F718-W779 AromaticContact CD1-CH2 3.6Å; F718-W779 HydrophobicContact CD1-CH2 3.6Å; F718-W779 AromaticContact CD1-CZ3 3.42Å; F718-W779 HydrophobicContact CD1-CZ3 3.42Å; F718-W779 VanDerWaalsContact CD1-CZ3 3.42Å; F718-W779 HydrophobicContact CD2-CH2 4.45Å; F718-W779 HydrophobicContact CE1-CH2 4.33Å; F718-W779 AromaticContact CE1-CZ3 3.75Å; F718-W779 HydrophobicContact CE1-CZ3 3.75Å; F718-W779 AromaticContact CG-CH2 3.68Å; F718-W779 HydrophobicContact CG-CH2 3.68Å; F718-W779 AromaticContact CG-CZ3 3.97Å; F718-W779 HydrophobicContact CG-CZ3 3.97Å; W779-I784 HydrophobicContact CE3-CG2 4.03Å; W779-I784 HydrophobicContact CZ3-CG2 4.45Å |
| 780 | E | 92.1 | Very high | 88.3 | Confident | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -8.7 | -179.2 | -67.8 | 173.2 | -175.3 | 0 | 0 | 112.3 | G146 R148 G149 H192 L196 T778 R785 | G146-E780 WeakPolarHBondContact CA-OE2 3.28Å; G146-E780 PolarHBondContact N-OE1 2.91Å; R148-E780 IonicContact CZ-OE1 2.84Å; R148-E780 PolarHBondContact N-OE2 3.5Å; R148-E780 IonicContact NE-OE1 3.24Å; R148-E780 IonicContact NH2-OE1 3.37Å; G149-E780 PolarHBondContact N-OE2 3.18Å; H192-E780 IonicContact CE1-OE2 2.94Å; H192-E780 PolarHBondContact CE1-OE2 2.84Å; L196-E780 HydrophobicContact CD1-CB 4.2Å; L196-E780 HydrophobicContact CD1-CG 4.11Å; T778-E780 PolarHBondContact O-N 3.04Å; T778-E780 PolarHBondContact OG1-N 3.4Å; E780-R785 VanDerWaalsContact O-CD 3.23Å; E780-R785 WeakPolarHBondContact O-CD 3.4Å |
| 781 | H | 93.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -64.8 | 138.6 | -178.4 | -167.4 | -88.3 | 0 | 0 | 0 | 111.9 | N224 Q775 F776 I777 T778 L783 I784 R785 | N224-H781 PolarHBondContact ND2-CD2 3.34Å; Q775-H781 PolarHBondContact OE1-CE1 3.41Å; Q775-H781 PolarHBondContact OE1-NE2 3.4Å; F776-H781 PolarHBondContact O-CD2 3.37Å; I777-H781 HydrophobicContact CD1-CB 4.49Å; T778-H781 VanDerWaalsContact O-CB 3.31Å; T778-H781 WeakPolarHBondContact O-CB 3.24Å; T778-H781 PolarHBondContact O-N 3.16Å; T778-H781 VanDerWaalsContact O-N 3.13Å; T778-H781 PolarHBondContact OG1-N 3.27Å; H781-L783 VanDerWaalsContact C-N 3.31Å; H781-L783 VanDerWaalsContact CE1-CD1 3.5Å; H781-L783 WeakPolarHBondContact CE1-CD1 3.4Å; H781-L783 PolarHBondContact ND1-N 2.99Å; H781-L783 PolarHBondContact O-N 3.08Å; H781-I784 HydrophobicContact CB-CG1 4.43Å; H781-I784 PolarHBondContact O-N 3.11Å; H781-R785 PolarHBondContact O-N 3.46Å |
| 782 | P | 91.4 | Very high | 89.2 | Confident | 41 Ų | 41 | 33.6 Ų | 33.6 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -52.5 | -42 | -179.1 | -30.1 | 36 | 0 | 0 | 0 | 114.5 | N224 I784 R785 N786 | N224-P782 HydrophobicContact CB-CG 3.8Å; P782-I784 VanDerWaalsContact C-N 3.3Å; P782-I784 PolarHBondContact O-N 3.09Å; P782-R785 PolarHBondContact O-N 2.86Å; P782-N786 VanDerWaalsContact O-CB 3.23Å; P782-N786 WeakPolarHBondContact O-CB 3.27Å; P782-N786 PolarHBondContact O-N 3.18Å; P782-N786 PolarHBondContact O-ND2 3.16Å; P782-N786 VanDerWaalsContact O-ND2 3.16Å |
| 783 | L | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -41.1 | 177.1 | -66.4 | 167.3 | 0 | 0 | 0 | 113 | F723 L740 F751 I759 I761 I777 H781 G787 | F723-L783 HydrophobicContact CE1-CB 4.49Å; L740-L783 HydrophobicContact CD1-CD1 4.44Å; F751-L783 HydrophobicContact CD1-CD2 3.92Å; F751-L783 HydrophobicContact CE1-CB 4.34Å; F751-L783 HydrophobicContact CE1-CD2 3.69Å; F751-L783 WeakPolarHBondContact CZ-O 3.42Å; I759-L783 HydrophobicContact CD1-CD1 3.38Å; I759-L783 HydrophobicContact CD1-CD2 4.2Å; I759-L783 HydrophobicContact CD1-CG 4.36Å; I761-L783 HydrophobicContact CG2-CD1 4.4Å; I777-L783 HydrophobicContact CD1-CD1 3.96Å; H781-L783 VanDerWaalsContact C-N 3.31Å; H781-L783 VanDerWaalsContact CE1-CD1 3.5Å; H781-L783 WeakPolarHBondContact CE1-CD1 3.4Å; H781-L783 PolarHBondContact ND1-N 2.99Å; H781-L783 PolarHBondContact O-N 3.08Å; L783-G787 PolarHBondContact O-N 2.81Å |
| 784 | I | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.6 | -43.9 | 180 | -59 | -57 | 0 | 0 | 0 | 109.8 | F718 A719 L722 F723 I777 T778 W779 H781 P782 G787 L788 | F718-I784 HydrophobicContact CE1-CG2 4.47Å; A719-I784 HydrophobicContact CB-CD1 3.7Å; L722-I784 HydrophobicContact CD2-CD1 4.36Å; F723-I784 HydrophobicContact CE1-CD1 4.29Å; F723-I784 HydrophobicContact CZ-CD1 3.88Å; I777-I784 HydrophobicContact CG2-CD1 3.87Å; I777-I784 HydrophobicContact CG2-CG1 3.67Å; T778-I784 WeakPolarHBondContact O-CG1 3.41Å; W779-I784 HydrophobicContact CE3-CG2 4.03Å; W779-I784 HydrophobicContact CZ3-CG2 4.45Å; H781-I784 HydrophobicContact CB-CG1 4.43Å; H781-I784 PolarHBondContact O-N 3.11Å; P782-I784 VanDerWaalsContact C-N 3.3Å; P782-I784 PolarHBondContact O-N 3.09Å; I784-G787 PolarHBondContact O-N 2.79Å; I784-L788 HydrophobicContact CG2-CD1 4.06Å; I784-L788 HydrophobicContact CG2-CG 4.41Å; I784-L788 WeakPolarHBondContact O-CB 3.32Å; I784-L788 VanDerWaalsContact O-CG 3.27Å; I784-L788 WeakPolarHBondContact O-CG 3.4Å; I784-L788 PolarHBondContact O-N 2.88Å |
| 785 | R | 90.3 | Very high | 88.7 | Confident | 121 Ų | 121 | 31 Ų | 31 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.7 | -67.7 | -179.3 | 65.5 | -153.1 | 2 | 112.5 | L196 E780 H781 P782 G787 L788 D789 | L196-R785 VanDerWaalsContact CD2-CZ 3.49Å; E780-R785 VanDerWaalsContact O-CD 3.23Å; E780-R785 WeakPolarHBondContact O-CD 3.4Å; H781-R785 PolarHBondContact O-N 3.46Å; P782-R785 PolarHBondContact O-N 2.86Å; R785-G787 VanDerWaalsContact C-N 3.34Å; R785-L788 WeakPolarHBondContact O-CB 3.47Å; R785-L788 PolarHBondContact O-N 2.91Å; R785-D789 WeakPolarHBondContact O-CB 3.22Å; R785-D789 PolarHBondContact O-N 3.39Å |
| 786 | N | 89.7 | Confident | 88.1 | Confident | 56 Ų | 56 | 29.2 Ų | 29.2 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.5 | -65.2 | -20.2 | 0 | 0 | 0 | 111.2 | F751 P752 P782 D789 L790 | F751-N786 HydrophobicContact CE2-CB 4.38Å; F751-N786 HydrophobicContact CZ-CB 4.11Å; P752-N786 PolarHBondContact O-ND2 2.68Å; P782-N786 VanDerWaalsContact O-CB 3.23Å; P782-N786 WeakPolarHBondContact O-CB 3.27Å; P782-N786 PolarHBondContact O-N 3.18Å; P782-N786 PolarHBondContact O-ND2 3.16Å; P782-N786 VanDerWaalsContact O-ND2 3.16Å; N786-D789 PolarHBondContact O-N 3.35Å; N786-L790 VanDerWaalsContact O-CB 3.29Å; N786-L790 WeakPolarHBondContact O-CB 3.48Å; N786-L790 PolarHBondContact O-N 2.94Å |
| 787 | G | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.5 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L783 I784 R785 L790 I791 | L783-G787 PolarHBondContact O-N 2.81Å; I784-G787 PolarHBondContact O-N 2.79Å; R785-G787 VanDerWaalsContact C-N 3.34Å; G787-L790 PolarHBondContact O-N 3Å; G787-I791 WeakPolarHBondContact O-CB 3.46Å; G787-I791 VanDerWaalsContact O-CG1 3.27Å; G787-I791 WeakPolarHBondContact O-CG1 3.34Å; G787-I791 PolarHBondContact O-N 3.44Å |
| 788 | L | 90.2 | Very high | 87.5 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 170.1 | -75.6 | 169 | 0 | 0 | 0 | 110.5 | A132 F718 I784 R785 I791 L792 | A132-L788 HydrophobicContact CB-CD2 3.52Å; F718-L788 HydrophobicContact CE1-CD2 3.87Å; F718-L788 HydrophobicContact CE1-CG 4.32Å; F718-L788 HydrophobicContact CE2-CD2 4.5Å; F718-L788 HydrophobicContact CZ-CD2 3.47Å; F718-L788 VanDerWaalsContact CZ-CD2 3.47Å; F718-L788 HydrophobicContact CZ-CG 4.34Å; I784-L788 HydrophobicContact CG2-CD1 4.06Å; I784-L788 HydrophobicContact CG2-CG 4.41Å; I784-L788 WeakPolarHBondContact O-CB 3.32Å; I784-L788 VanDerWaalsContact O-CG 3.27Å; I784-L788 WeakPolarHBondContact O-CG 3.4Å; I784-L788 PolarHBondContact O-N 2.88Å; R785-L788 WeakPolarHBondContact O-CB 3.47Å; R785-L788 PolarHBondContact O-N 2.91Å; L788-I791 PolarHBondContact O-N 2.99Å; L788-L792 VanDerWaalsContact O-CB 3.24Å; L788-L792 WeakPolarHBondContact O-CB 3.45Å; L788-L792 WeakPolarHBondContact O-CG 3.5Å; L788-L792 PolarHBondContact O-N 2.95Å |
| 789 | D | 84.6 | Confident | 87.3 | Confident | 105 Ų | 105 | 29.9 Ų | 29.9 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -60.5 | -47.6 | 178.9 | -172.5 | 57.6 | 0 | 0 | 0 | 111.8 | R785 N786 I791 L792 S793 | R785-D789 WeakPolarHBondContact O-CB 3.22Å; R785-D789 PolarHBondContact O-N 3.39Å; N786-D789 PolarHBondContact O-N 3.35Å; D789-I791 VanDerWaalsContact C-N 3.34Å; D789-I791 PolarHBondContact O-N 2.91Å; D789-L792 PolarHBondContact O-N 3.37Å; D789-S793 WeakPolarHBondContact O-CB 3.45Å; D789-S793 PolarHBondContact O-N 3.27Å; D789-S793 PolarHBondContact O-OG 3.46Å |
| 790 | L | 84.7 | Confident | 87.2 | Confident | 46 Ų | 46 | 30.5 Ų | 30.5 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 176.6 | 178.6 | 64.4 | 0 | 0 | 0 | 112.2 | I726 V748 F751 N786 G787 G794 | I726-L790 HydrophobicContact CD1-CD2 4.31Å; I726-L790 HydrophobicContact CG1-CD2 4.15Å; V748-L790 HydrophobicContact CG1-CD1 3.74Å; V748-L790 HydrophobicContact CG1-CD2 4.29Å; V748-L790 HydrophobicContact CG2-CD2 4.12Å; F751-L790 HydrophobicContact CD2-CD2 4.3Å; F751-L790 HydrophobicContact CE2-CD2 4.11Å; N786-L790 VanDerWaalsContact O-CB 3.29Å; N786-L790 WeakPolarHBondContact O-CB 3.48Å; N786-L790 PolarHBondContact O-N 2.94Å; G787-L790 PolarHBondContact O-N 3Å; L790-G794 PolarHBondContact O-N 3.22Å |
| 791 | I | 87.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.4 | -32.6 | -178.6 | -66 | -62.8 | 0 | 0 | 0 | 111.8 | L128 R129 L722 I725 G787 L788 D789 | L128-I791 HydrophobicContact CD2-CD1 4.06Å; L128-I791 HydrophobicContact CD2-CG1 4.04Å; L128-I791 HydrophobicContact CD2-CG2 4.45Å; R129-I791 HydrophobicContact CB-CG2 4.14Å; R129-I791 HydrophobicContact CG-CG2 4.38Å; R129-I791 PolarHBondContact NH1-O 3.48Å; L722-I791 HydrophobicContact CD1-CG1 3.67Å; I725-I791 HydrophobicContact CG2-CD1 4.06Å; G787-I791 WeakPolarHBondContact O-CB 3.46Å; G787-I791 VanDerWaalsContact O-CG1 3.27Å; G787-I791 WeakPolarHBondContact O-CG1 3.34Å; G787-I791 PolarHBondContact O-N 3.44Å; L788-I791 PolarHBondContact O-N 2.99Å; D789-I791 VanDerWaalsContact C-N 3.34Å; D789-I791 PolarHBondContact O-N 2.91Å |
| 792 | L | 84.6 | Confident | 87.3 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -89.9 | -31.2 | -174.8 | -65.1 | -176.4 | 0 | 0 | 0 | 113.8 | R129 A132 R133 L788 D789 | R129-L792 HydrophobicContact CG-CD2 4.1Å; R129-L792 PolarHBondContact NH1-O 3.38Å; R129-L792 PolarHBondContact NH2-O 2.96Å; A132-L792 HydrophobicContact CB-CD1 4.47Å; A132-L792 HydrophobicContact CB-CD2 3.77Å; A132-L792 HydrophobicContact CB-CG 4.18Å; R133-L792 HydrophobicContact CG-CD2 3.63Å; L788-L792 VanDerWaalsContact O-CB 3.24Å; L788-L792 WeakPolarHBondContact O-CB 3.45Å; L788-L792 WeakPolarHBondContact O-CG 3.5Å; L788-L792 PolarHBondContact O-N 2.95Å; D789-L792 PolarHBondContact O-N 3.37Å |
| 793 | S | 76.3 | Confident | 87.4 | Confident | 83 Ų | 83 | 34.8 Ų | 34.8 | 58% | 0.58 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -79.1 | -34.4 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | D789 | D789-S793 WeakPolarHBondContact O-CB 3.45Å; D789-S793 PolarHBondContact O-N 3.27Å; D789-S793 PolarHBondContact O-OG 3.46Å |
| 794 | G | 73.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 37.1 Ų | 37.1 | 27% | 0.268 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -76.8 | 171.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R129 L790 T796 | R129-G794 PolarHBondContact NH1-O 2.83Å; L790-G794 PolarHBondContact O-N 3.22Å; G794-T796 VanDerWaalsContact C-N 3.34Å |
| 795 | D | 76.5 | Confident | 86.9 | Confident | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | trans | -87.3 | -4.5 | 176.3 | -68.9 | -19.8 | 0 | 0 | 0 | 113.6 | S15 R114 G797 S798 | S15-D795 WeakPolarHBondContact CB-OD2 3.26Å; S15-D795 PolarHBondContact OG-OD2 3.43Å; R114-D795 IonicContact CZ-OD2 2.66Å; R114-D795 IonicContact NH1-OD2 3.06Å; R114-D795 PolarHBondContact NH1-OD2 2.96Å; D795-G797 PolarHBondContact O-N 3.15Å; D795-S798 WeakPolarHBondContact O-CB 3.49Å; D795-S798 PolarHBondContact O-N 3.47Å; D795-S798 VanDerWaalsContact O-N 3.09Å; D795-S798 PolarHBondContact O-OG 2.84Å | ||
| 796 | T | 79.9 | Confident | 86.8 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 125.3 | -176.1 | -61.5 | 0 | 0 | 0 | 0 | 111 | R125 G794 S798 | R125-T796 HydrophobicContact CB-CG2 4.3Å; R125-T796 HydrophobicContact CG-CG2 4.2Å; G794-T796 VanDerWaalsContact C-N 3.34Å; T796-S798 VanDerWaalsContact C-N 3.31Å |
| 797 | G | 87.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 15.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D121 F126 R129 D795 | D121-G797 WeakPolarHBondContact OD2-CA 3.38Å; D121-G797 PolarHBondContact OD2-N 2.9Å; F126-G797 WeakPolarHBondContact CA-O 3.32Å; F126-G797 VanDerWaalsContact CD2-O 3.31Å; F126-G797 WeakPolarHBondContact CD2-O 3.21Å; R129-G797 WeakPolarHBondContact CD-O 3.09Å; D795-G797 PolarHBondContact O-N 3.15Å |
| 798 | S | 88.3 | Confident | 86.2 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -75.7 | -29.4 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | R114 D795 T796 | R114-S798 WeakPolarHBondContact CD-OG 3.21Å; R114-S798 PolarHBondContact NE-OG 3.45Å; R114-S798 VanDerWaalsContact NE-OG 3.11Å; D795-S798 WeakPolarHBondContact O-CB 3.49Å; D795-S798 PolarHBondContact O-N 3.47Å; D795-S798 VanDerWaalsContact O-N 3.09Å; D795-S798 PolarHBondContact O-OG 2.84Å; T796-S798 VanDerWaalsContact C-N 3.31Å |
| 799 | S | 90.1 | Very high | 86 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | trans | -145.5 | 136.1 | -178.3 | 84.3 | 0 | 0 | 0 | 0 | 112.6 | P111 Q119 D121 | P111-S799 WeakPolarHBondContact O-CB 3.4Å; Q119-S799 PolarHBondContact O-OG 3.2Å; D121-S799 WeakPolarHBondContact CB-O 3.3Å; D121-S799 PolarHBondContact N-O 3.3Å | ||
| 800 | T | 92.6 | Very high | 86.1 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 17% | 0.172 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -149.7 | 167.9 | -178.3 | -168.4 | 0 | 0 | 0 | 0 | 111.5 | D121 M123 F126 | D121-T800 WeakPolarHBondContact O-CB 3.4Å; D121-T800 PolarHBondContact O-OG1 2.84Å; M123-T800 HydrophobicContact SD-CG2 3.56Å; M123-T800 VanDerWaalsContact SD-CG2 3.56Å; F126-T800 HydrophobicContact CB-CG2 3.73Å; F126-T800 HydrophobicContact CD1-CG2 4.22Å; F126-T800 HydrophobicContact CD2-CG2 3.97Å; F126-T800 HydrophobicContact CG-CG2 3.71Å |
| 801 | I | 93.4 | Very high | 86.1 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | trans | -137.7 | 138.1 | 170.5 | -165.8 | 172.1 | 0 | 0 | 0 | 109.9 | I120 V868 L876 V877 | I120-I801 HydrophobicContact CD1-CG2 3.91Å; I120-I801 HydrophobicContact CG2-CB 4.44Å; I120-I801 HydrophobicContact CG2-CG2 3.75Å; I801-V868 HydrophobicContact CG2-CB 4.25Å; I801-L876 HydrophobicContact CD1-CB 3.84Å; I801-L876 HydrophobicContact CD1-CD1 4.45Å; I801-V877 HydrophobicContact CD1-CG2 3.83Å | ||
| 802 | S | 93.5 | Very high | 86.1 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.4 | 178.2 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 803 | L | 92.6 | Very high | 86.4 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 129.3 | 173.1 | -71.5 | 167.4 | 0 | 0 | 0 | 110.4 | N866 V868 L876 | L803-N866 HydrophobicContact CB-CB 4.38Å; L803-N866 PolarHBondContact N-O 3.21Å; L803-N866 PolarHBondContact O-N 3.42Å; L803-V868 HydrophobicContact CB-CG2 4.31Å; L803-V868 HydrophobicContact CD1-CG2 3.83Å; L803-V868 HydrophobicContact CG-CG2 3.54Å; L803-L876 HydrophobicContact CD2-CD1 4.42Å |
| 804 | L | 91.7 | Very high | 87.2 | Confident | 50 Ų | 50 | 65 Ų | 65 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111.5 | 172.6 | -180 | 65.5 | 0 | 0 | 0 | 110.3 | N806 L809 L815 F861 Q864 L865 | L804-N806 HydrophobicContact CD2-CB 4.44Å; L804-N806 HydrophobicContact CG-CB 4.13Å; L804-N806 PolarHBondContact O-N 2.82Å; L804-L809 HydrophobicContact CD2-CD1 3.6Å; L804-L815 HydrophobicContact CD2-CD1 4.29Å; L804-F861 HydrophobicContact CD1-CE2 4.22Å; L804-F861 HydrophobicContact CD2-CE2 3.89Å; L804-Q864 HydrophobicContact CD1-CB 3.85Å; L804-L865 HydrophobicContact CB-CD2 4.06Å; L804-L865 HydrophobicContact CD1-CD2 4.13Å |
| 805 | K | 87.9 | Confident | 88.3 | Confident | 167 Ų | 167 | 66.1 Ų | 66.1 | 73% | 0.726 | 38% | 0.382 | S | S | * | . | trans | -89.7 | 81.5 | 175.4 | -70 | -177.1 | -170.7 | 167.6 | 0 | 111 | N866 | K805-N866 VanDerWaalsContact CD-OD1 3.23Å; K805-N866 WeakPolarHBondContact CD-OD1 3.42Å; K805-N866 WeakPolarHBondContact CE-OD1 3.22Å; K805-N866 WeakPolarHBondContact CG-OD1 3.43Å | ||
| 806 | N | 86.6 | Confident | 89.1 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 35% | 0.353 | 38% | 0.379 | S | S | . | . | trans | -121.2 | 116 | 176.8 | -169 | -21.1 | 0 | 0 | 0 | 111.4 | L804 A808 L809 | L804-N806 HydrophobicContact CD2-CB 4.44Å; L804-N806 HydrophobicContact CG-CB 4.13Å; L804-N806 PolarHBondContact O-N 2.82Å; N806-A808 PolarHBondContact O-N 3.18Å; N806-A808 WeakPolarHBondContact OD1-CB 3.31Å; N806-A808 PolarHBondContact OD1-N 3.42Å; N806-L809 HydrophobicContact CB-CD1 4.11Å; N806-L809 HydrophobicContact CB-CG 4.27Å; N806-L809 PolarHBondContact O-N 3.24Å | ||
| 807 | K | 83.1 | Confident | 89.9 | Confident | 217 Ų | 217 | 66.1 Ų | 66.1 | 94% | 0.943 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.3 | 180 | -66.3 | -176.5 | -178.8 | 177.4 | 0 | 113.7 | ||
| 808 | A | 85.3 | Confident | 90.1 | Very high | 87 Ų | 87 | 67.3 Ų | 67.3 | 72% | 0.719 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N806 | N806-A808 PolarHBondContact O-N 3.18Å; N806-A808 WeakPolarHBondContact OD1-CB 3.31Å; N806-A808 PolarHBondContact OD1-N 3.42Å |
| 809 | L | 85.7 | Confident | 90.4 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -95.6 | 141.1 | 178.8 | -65.8 | 175.8 | 0 | 0 | 0 | 110.6 | L804 N806 | L804-L809 HydrophobicContact CD2-CD1 3.6Å; N806-L809 HydrophobicContact CB-CD1 4.11Å; N806-L809 HydrophobicContact CB-CG 4.27Å; N806-L809 PolarHBondContact O-N 3.24Å |
| 810 | P | 86.8 | Confident | 90.4 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 141.6 | 172.8 | -24.5 | 34 | 0 | 0 | 0 | 112 | G812 T813 | P810-G812 PolarHBondContact O-N 2.7Å; P810-T813 WeakPolarHBondContact O-CB 3.25Å; P810-T813 PolarHBondContact O-N 3.42Å; P810-T813 PolarHBondContact O-OG1 3.33Å |
| 811 | V | 86.2 | Confident | 90 | Very high | 157 Ų | 157 | 69.4 Ų | 69.4 | 95% | 0.952 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 133.9 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 812 | G | 86.6 | Confident | 89.6 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 78% | 0.784 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 7.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P810 L814 | P810-G812 PolarHBondContact O-N 2.7Å; G812-L814 PolarHBondContact O-N 3.3Å |
| 813 | T | 91.7 | Very high | 88.7 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | trans | -58.6 | 124.4 | 170.1 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | P810 L815 | P810-T813 WeakPolarHBondContact O-CB 3.25Å; P810-T813 PolarHBondContact O-N 3.42Å; P810-T813 PolarHBondContact O-OG1 3.33Å; T813-L815 HydrophobicContact CG2-CD2 4.35Å; T813-L815 HydrophobicContact CG2-CG 4.32Å | ||
| 814 | L | 93 | Very high | 87.7 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 18% | 0.183 | 37% | 0.367 | C | S | . | . | trans | -104.3 | 128.1 | 174 | 179.2 | 64.7 | 0 | 0 | 0 | 108.8 | G812 V816 V880 D883 V884 I887 | G812-L814 PolarHBondContact O-N 3.3Å; L814-V816 HydrophobicContact CG-CG2 4.48Å; L814-V880 HydrophobicContact CD1-CB 4.38Å; L814-V880 HydrophobicContact CD1-CG1 4.35Å; L814-V880 HydrophobicContact CD1-CG2 4.26Å; L814-V880 HydrophobicContact CD2-CB 4.04Å; L814-V880 HydrophobicContact CD2-CG1 4.38Å; L814-D883 HydrophobicContact CD2-CB 3.66Å; L814-V884 HydrophobicContact CD2-CG2 4.32Å; L814-I887 HydrophobicContact CD2-CD1 3.88Å; L814-I887 HydrophobicContact CG-CD1 4.32Å | ||
| 815 | L | 94.5 | Very high | 86.5 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.5 | 171.3 | -61.9 | 176.4 | 0 | 0 | 0 | 108.2 | L804 T813 L844 L845 D846 L852 F861 | L804-L815 HydrophobicContact CD2-CD1 4.29Å; T813-L815 HydrophobicContact CG2-CD2 4.35Å; T813-L815 HydrophobicContact CG2-CG 4.32Å; L815-L844 HydrophobicContact CB-CD1 4.05Å; L815-L845 CarbonylContact C-O 3.49Å; L815-L845 WeakPolarHBondContact CA-O 3.32Å; L815-D846 HydrophobicContact CD2-CB 4.12Å; L815-L852 HydrophobicContact CD2-CD1 3.97Å; L815-F861 HydrophobicContact CD1-CE2 4.33Å; L815-F861 HydrophobicContact CD1-CZ 4.14Å |
| 816 | V | 94.8 | Very high | 85.5 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 10% | 0.097 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.9 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 108 | L814 L818 L845 V884 I887 | L814-V816 HydrophobicContact CG-CG2 4.48Å; V816-L818 HydrophobicContact CG1-CD1 4.49Å; V816-L818 HydrophobicContact CG1-CD2 3.73Å; V816-L818 HydrophobicContact CG1-CG 3.97Å; V816-L845 PolarHBondContact N-O 2.77Å; V816-L845 PolarHBondContact O-N 3.13Å; V816-V884 HydrophobicContact CG2-CG2 4.22Å; V816-I887 HydrophobicContact CB-CG2 3.79Å; V816-I887 HydrophobicContact CG1-CG2 4.4Å; V816-I887 HydrophobicContact CG2-CB 4.18Å; V816-I887 HydrophobicContact CG2-CD1 3.61Å; V816-I887 HydrophobicContact CG2-CG2 3.86Å |
| 817 | E | 95.3 | Very high | 84.6 | Confident | 35 Ų | 35 | 61.3 Ų | 61.3 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.1 | 175.6 | -169.2 | 165 | -136 | 0 | 0 | 109.4 | R842 M843 L844 | E817-R842 IonicContact OE1-CZ 3.74Å; E817-R842 IonicContact OE1-NE 3.01Å; E817-R842 PolarHBondContact OE1-NE 3.28Å; E817-R842 IonicContact OE1-NH2 3.08Å; E817-R842 PolarHBondContact OE1-NH2 3.21Å; E817-M843 CarbonylContact C-O 3.33Å; E817-M843 WeakPolarHBondContact CA-O 3.28Å; E817-L844 HydrophobicContact CB-CD1 3.88Å; E817-L844 HydrophobicContact CG-CD1 4.31Å |
| 818 | L | 93.6 | Very high | 84 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130 | -177.1 | -57.6 | 171 | 0 | 0 | 0 | 108.9 | V816 Y820 M843 L845 L888 | V816-L818 HydrophobicContact CG1-CD1 4.49Å; V816-L818 HydrophobicContact CG1-CD2 3.73Å; V816-L818 HydrophobicContact CG1-CG 3.97Å; L818-Y820 HydrophobicContact CB-CD2 4.17Å; L818-Y820 HydrophobicContact CB-CE2 3.77Å; L818-Y820 HydrophobicContact CD1-CE2 3.91Å; L818-Y820 HydrophobicContact CG-CE2 4.45Å; L818-M843 HydrophobicContact CB-CB 4.41Å; L818-M843 PolarHBondContact N-O 3.47Å; L818-M843 PolarHBondContact O-N 2.94Å; L818-L845 HydrophobicContact CD1-CD1 3.96Å; L818-L888 HydrophobicContact CD1-CD2 4.02Å; L818-L888 HydrophobicContact CD2-CD2 3.46Å; L818-L888 VanDerWaalsContact CD2-CD2 3.46Å; L818-L888 HydrophobicContact CG-CD2 4.39Å |
| 819 | I | 92.8 | Very high | 83.6 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 99.7 | 171.7 | -51.7 | -55.1 | 0 | 0 | 0 | 107.1 | F126 Y130 P840 R842 | F126-I819 HydrophobicContact CZ-CG1 3.95Å; Y130-I819 HydrophobicContact CD2-CD1 3.51Å; Y130-I819 HydrophobicContact CD2-CG1 3.89Å; Y130-I819 HydrophobicContact CD2-CG2 3.92Å; Y130-I819 HydrophobicContact CE2-CD1 3.76Å; Y130-I819 HydrophobicContact CE2-CG2 4.42Å; Y130-I819 HydrophobicContact CG-CD1 4.32Å; I819-P840 HydrophobicContact CG2-CB 3.89Å; I819-R842 HydrophobicContact CD1-CB 3.71Å; I819-R842 HydrophobicContact CD1-CG 3.65Å |
| 820 | Y | 89.9 | Confident | 83.2 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 152.3 | 169.7 | -70.9 | -86.8 | 0 | 0 | 0 | 109.5 | L818 P840 V841 M843 I895 | L818-Y820 HydrophobicContact CB-CD2 4.17Å; L818-Y820 HydrophobicContact CB-CE2 3.77Å; L818-Y820 HydrophobicContact CD1-CE2 3.91Å; L818-Y820 HydrophobicContact CG-CE2 4.45Å; Y820-P840 CarbonylContact O-C 3.5Å; Y820-P840 VanDerWaalsContact O-CA 3.32Å; Y820-P840 WeakPolarHBondContact O-CA 3.48Å; Y820-V841 PolarHBondContact N-O 2.78Å; Y820-V841 PolarHBondContact O-N 2.81Å; Y820-M843 HydrophobicContact CD2-SD 3.9Å; Y820-M843 HydrophobicContact CE2-SD 3.85Å; Y820-I895 HydrophobicContact CD1-CB 4.46Å; Y820-I895 HydrophobicContact CD1-CG1 4.04Å; Y820-I895 HydrophobicContact CD1-CG2 4.12Å; Y820-I895 HydrophobicContact CD2-CB 3.98Å; Y820-I895 HydrophobicContact CD2-CD1 3.88Å; Y820-I895 HydrophobicContact CD2-CG1 3.77Å; Y820-I895 HydrophobicContact CD2-CG2 4.38Å; Y820-I895 HydrophobicContact CE1-CG2 3.95Å; Y820-I895 HydrophobicContact CE2-CB 4.11Å; Y820-I895 HydrophobicContact CE2-CG1 4.39Å; Y820-I895 HydrophobicContact CE2-CG2 4.22Å; Y820-I895 HydrophobicContact CG-CB 4.16Å; Y820-I895 HydrophobicContact CG-CD1 3.9Å; Y820-I895 HydrophobicContact CG-CG1 3.57Å; Y820-I895 HydrophobicContact CG-CG2 4.33Å |
| 821 | V | 85.9 | Confident | 82.9 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.4 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | E823 P838 T839 | V821-E823 HydrophobicContact CG1-CB 4.43Å; V821-E823 HydrophobicContact CG1-CG 4.44Å; V821-P838 HydrophobicContact CG1-CB 3.77Å; V821-T839 WeakPolarHBondContact CA-O 3.2Å |
| 822 | V | 83.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118.5 | 171 | -174.7 | 0 | 0 | 0 | 0 | 107 | L836 T839 V841 A899 L902 I903 T955 | V822-L836 HydrophobicContact CG1-CD1 4.25Å; V822-L836 HydrophobicContact CG1-CD2 4.36Å; V822-T839 PolarHBondContact N-O 3.42Å; V822-T839 PolarHBondContact O-N 3.44Å; V822-V841 HydrophobicContact CG2-CG2 3.85Å; V822-A899 HydrophobicContact CG1-CB 4.33Å; V822-A899 HydrophobicContact CG2-CB 3.7Å; V822-L902 HydrophobicContact CG2-CD1 4.04Å; V822-I903 HydrophobicContact CG1-CD1 4.18Å; V822-I903 HydrophobicContact CG1-CG1 3.93Å; V822-T955 HydrophobicContact CG2-CG2 3.9Å |
| 823 | E | 76 | Confident | 82.6 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 162.3 | -179.6 | 60.5 | -176.1 | -160.5 | 0 | 0 | 110.3 | R133 V821 P838 V954 | R133-E823 IonicContact NH1-OE2 3.5Å; V821-E823 HydrophobicContact CG1-CB 4.43Å; V821-E823 HydrophobicContact CG1-CG 4.44Å; E823-P838 HydrophobicContact CB-CB 4.25Å; E823-P838 HydrophobicContact CB-CG 4.34Å; E823-V954 PolarHBondContact O-N 3.06Å |
| 824 | A | 70.3 | Confident | 82.4 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | trans | -127 | 146.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L832 A953 | A824-L832 HydrophobicContact CB-CD2 3.54Å; A824-A953 HydrophobicContact CB-CB 3.63Å | ||
| 825 | Q | 66.2 | Low | 82.2 | Confident | 112 Ų | 112 | 43.9 Ų | 43.9 | 52% | 0.523 | 22% | 0.22 | S | C | . | . | trans | -86 | 115.9 | 177.4 | -63 | -61.6 | -34.3 | 0 | 0 | 108.7 | P1078 | Q825-P1078 PolarHBondContact OE1-O 2.92Š| ||
| 826 | A | 66.9 | Low | 81.9 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | trans | -148.7 | 147.5 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | L830 L832 | A826-L830 HydrophobicContact CB-CD1 4.2Å; A826-L832 HydrophobicContact CB-CB 4.01Å; A826-L832 HydrophobicContact CB-CD2 3.69Å; A826-L832 HydrophobicContact CB-CG 4.49Å | ||
| 827 | P | 68 | Low | 81.7 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | trans | -54.9 | 144.5 | 166.9 | -23 | 32.8 | 0 | 0 | 0 | 111.6 | Q829 L830 | P827-Q829 PolarHBondContact O-N 3.29Å; P827-L830 HydrophobicContact CG-CD1 4.49Å; P827-L830 PolarHBondContact O-N 3.08Å; P827-L830 VanDerWaalsContact O-N 3.15Å | ||
| 828 | K | 71.1 | Confident | 81.1 | Confident | 151 Ų | 151 | 40.5 Ų | 40.5 | 66% | 0.657 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -59.2 | -34.8 | -177.4 | -70 | -178.9 | -179.9 | 173.2 | 0 | 112.4 | L830 Q831 | K828-L830 PolarHBondContact O-N 3.45Å; K828-L830 VanDerWaalsContact O-N 3.15Å; K828-Q831 PolarHBondContact O-N 3.06Å |
| 829 | Q | 75.9 | Confident | 81 | Confident | 91 Ų | 91 | 40.5 Ų | 40.5 | 43% | 0.425 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57.7 | -27.8 | -179.7 | -61.9 | 74 | 14 | 0 | 0 | 112.8 | G198 E201 P827 Q831 | G198-Q829 WeakPolarHBondContact O-CG 3.17Å; E201-Q829 PolarHBondContact OE1-NE2 3.09Å; P827-Q829 PolarHBondContact O-N 3.29Å; Q829-Q831 PolarHBondContact O-N 3.37Å |
| 830 | L | 78.6 | Confident | 81 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -73.3 | -13.3 | 176.7 | -61.6 | -174.6 | 0 | 0 | 0 | 112.9 | A826 P827 K828 L832 N942 Q945 V946 | A826-L830 HydrophobicContact CB-CD1 4.2Å; P827-L830 HydrophobicContact CG-CD1 4.49Å; P827-L830 PolarHBondContact O-N 3.08Å; P827-L830 VanDerWaalsContact O-N 3.15Å; K828-L830 PolarHBondContact O-N 3.45Å; K828-L830 VanDerWaalsContact O-N 3.15Å; L830-L832 PolarHBondContact O-N 2.84Å; L830-L832 VanDerWaalsContact O-N 3.1Å; L830-N942 WeakPolarHBondContact CD2-OD1 3.45Å; L830-N942 PolarHBondContact O-OD1 3.14Å; L830-Q945 HydrophobicContact CD1-CB 3.72Å; L830-Q945 HydrophobicContact CD2-CB 3.81Å; L830-Q945 HydrophobicContact CG-CB 4.46Å; L830-V946 HydrophobicContact CB-CG2 4.04Å |
| 831 | Q | 80.5 | Confident | 81.2 | Confident | 38 Ų | 38 | 39 Ų | 39 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | trans | 53 | 31.2 | -179.1 | -56.5 | 179.7 | -2.2 | 0 | 0 | 113.6 | S197 K828 Q829 N833 R834 | S197-Q831 PolarHBondContact OG-NE2 3.03Å; K828-Q831 PolarHBondContact O-N 3.06Å; Q829-Q831 PolarHBondContact O-N 3.37Å; Q831-N833 PolarHBondContact O-N 2.96Å; Q831-N833 VanDerWaalsContact O-N 3.07Å; Q831-R834 WeakPolarHBondContact O-CG 3.4Å; Q831-R834 PolarHBondContact O-N 2.95Å; Q831-R834 VanDerWaalsContact OE1-NH1 3.15Å | ||
| 832 | L | 82.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -57.2 | -31.5 | -173.5 | -175.2 | 66.2 | 0 | 0 | 0 | 113.1 | A824 A826 L830 R834 F835 L836 V946 L950 | A824-L832 HydrophobicContact CB-CD2 3.54Å; A826-L832 HydrophobicContact CB-CB 4.01Å; A826-L832 HydrophobicContact CB-CD2 3.69Å; A826-L832 HydrophobicContact CB-CG 4.49Å; L830-L832 PolarHBondContact O-N 2.84Å; L830-L832 VanDerWaalsContact O-N 3.1Å; L832-R834 PolarHBondContact O-N 2.8Å; L832-F835 PolarHBondContact O-N 2.99Å; L832-L836 PolarHBondContact O-N 2.68Å; L832-V946 HydrophobicContact CD1-CB 4.45Å; L832-V946 HydrophobicContact CD1-CG1 3.77Å; L832-V946 HydrophobicContact CD1-CG2 4.41Å; L832-L950 HydrophobicContact CD1-CD1 4.13Å; L832-L950 HydrophobicContact CD1-CD2 3.82Å; L832-L950 HydrophobicContact CD1-CG 3.72Å; L832-L950 HydrophobicContact CD2-CD2 4.48Å |
| 833 | N | 83.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 32% | 0.316 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -57.6 | -20 | 178.4 | -70.1 | -20 | 0 | 0 | 0 | 113.8 | F140 Q831 F835 P837 | F140-N833 HydrophobicContact CB-CB 4.32Å; F140-N833 HydrophobicContact CD1-CB 3.91Å; F140-N833 HydrophobicContact CD2-CB 4.46Å; F140-N833 HydrophobicContact CE1-CB 4.34Å; F140-N833 HydrophobicContact CG-CB 4Å; Q831-N833 PolarHBondContact O-N 2.96Å; Q831-N833 VanDerWaalsContact O-N 3.07Å; N833-F835 PolarHBondContact O-N 3.16Å; N833-P837 HydrophobicContact CB-CB 4.31Å; N833-P837 VanDerWaalsContact O-CB 3.27Å; N833-P837 WeakPolarHBondContact O-CB 3.23Å; N833-P837 WeakPolarHBondContact O-CD 3.25Å; N833-P837 WeakPolarHBondContact O-CG 3.42Å |
| 834 | R | 86.9 | Confident | 83.1 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -70 | -24.4 | 174.5 | 80.4 | -165.2 | -177.2 | 167.7 | 7.2 | 112.9 | Q831 L832 | Q831-R834 WeakPolarHBondContact O-CG 3.4Å; Q831-R834 PolarHBondContact O-N 2.95Å; Q831-R834 VanDerWaalsContact OE1-NH1 3.15Å; L832-R834 PolarHBondContact O-N 2.8Å |
| 835 | F | 90.1 | Very high | 84.3 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -48.2 | 179.3 | -54.3 | -63.8 | 0 | 0 | 0 | 111.5 | L832 N833 A906 E909 A910 K913 L914 V946 | L832-F835 PolarHBondContact O-N 2.99Å; N833-F835 PolarHBondContact O-N 3.16Å; F835-A906 HydrophobicContact CB-CB 4.41Å; F835-E909 HydrophobicContact CD1-CG 4.2Å; F835-A910 HydrophobicContact CB-CB 4.35Å; F835-A910 HydrophobicContact CD1-CB 3.94Å; F835-A910 HydrophobicContact CD2-CB 3.74Å; F835-A910 HydrophobicContact CE1-CB 4.05Å; F835-A910 HydrophobicContact CE2-CB 3.83Å; F835-A910 HydrophobicContact CG-CB 3.77Å; F835-A910 HydrophobicContact CZ-CB 3.96Å; F835-K913 HydrophobicContact CE1-CB 4.28Å; F835-K913 HydrophobicContact CE1-CD 3.95Å; F835-L914 HydrophobicContact CE2-CD1 4.15Å; F835-L914 HydrophobicContact CZ-CD1 4.25Å; F835-L914 HydrophobicContact CZ-CG 4.16Å; F835-V946 HydrophobicContact CD2-CG1 4.32Å; F835-V946 HydrophobicContact CE2-CG1 4.38Å |
| 836 | L | 88.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -133.5 | 78.4 | 178.2 | -171.7 | 65.3 | 0 | 0 | 0 | 109.9 | V822 L832 I903 A906 L950 A953 | V822-L836 HydrophobicContact CG1-CD1 4.25Å; V822-L836 HydrophobicContact CG1-CD2 4.36Å; L832-L836 PolarHBondContact O-N 2.68Å; L836-I903 HydrophobicContact CD2-CG1 4.09Å; L836-A906 HydrophobicContact CB-CB 3.83Å; L836-A906 HydrophobicContact CD1-CB 4.27Å; L836-A906 HydrophobicContact CG-CB 4.49Å; L836-L950 HydrophobicContact CB-CD2 3.88Å; L836-L950 HydrophobicContact CD2-CD2 3.68Å; L836-L950 HydrophobicContact CG-CD2 4.45Å; L836-A953 HydrophobicContact CD2-CB 4.05Å |
| 837 | P | 88.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -67.7 | 165.7 | 167.7 | 30 | -30.7 | 0 | 0 | 0 | 109.8 | S137 F140 R141 N833 T839 | S137-P837 WeakPolarHBondContact O-CG 3.4Å; F140-P837 HydrophobicContact CB-CB 3.7Å; F140-P837 HydrophobicContact CB-CG 4.21Å; F140-P837 HydrophobicContact CD2-CB 3.89Å; F140-P837 HydrophobicContact CG-CB 4.13Å; R141-P837 HydrophobicContact CG-CG 3.88Å; N833-P837 HydrophobicContact CB-CB 4.31Å; N833-P837 VanDerWaalsContact O-CB 3.27Å; N833-P837 WeakPolarHBondContact O-CB 3.23Å; N833-P837 WeakPolarHBondContact O-CD 3.25Å; N833-P837 WeakPolarHBondContact O-CG 3.42Å; P837-T839 WeakPolarHBondContact O-CB 3.38Å; P837-T839 PolarHBondContact O-N 3.45Å; P837-T839 PolarHBondContact O-OG1 2.76Å | ||
| 838 | P | 83.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | trans | -55 | 97 | 172.6 | -26.4 | 35.7 | 0 | 0 | 0 | 111.5 | V821 E823 P840 | V821-P838 HydrophobicContact CG1-CB 3.77Å; E823-P838 HydrophobicContact CB-CB 4.25Å; E823-P838 HydrophobicContact CB-CG 4.34Å; P838-P840 WeakPolarHBondContact O-CD 3.42Å | ||
| 839 | T | 91.8 | Very high | 88.7 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 115.6 | -164.1 | -64.3 | 0 | 0 | 0 | 0 | 109.4 | S137 V821 V822 P837 V841 L902 | S137-T839 PolarHBondContact OG-OG1 2.83Å; V821-T839 WeakPolarHBondContact CA-O 3.2Å; V822-T839 PolarHBondContact N-O 3.42Å; V822-T839 PolarHBondContact O-N 3.44Å; P837-T839 WeakPolarHBondContact O-CB 3.38Å; P837-T839 PolarHBondContact O-N 3.45Å; P837-T839 PolarHBondContact O-OG1 2.76Å; T839-V841 PolarHBondContact O-N 3.11Å; T839-L902 HydrophobicContact CG2-CD1 4.22Å |
| 840 | P | 93.4 | Very high | 89.5 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.4 | 178.3 | 30.2 | -34.1 | 0 | 0 | 0 | 111.1 | Y130 R133 K134 I819 Y820 P838 | Y130-P840 HydrophobicContact CE2-CB 4.31Å; R133-P840 HydrophobicContact CB-CB 3.84Å; R133-P840 HydrophobicContact CB-CG 3.82Å; K134-P840 HydrophobicContact CB-CG 4.32Å; I819-P840 HydrophobicContact CG2-CB 3.89Å; Y820-P840 CarbonylContact O-C 3.5Å; Y820-P840 VanDerWaalsContact O-CA 3.32Å; Y820-P840 WeakPolarHBondContact O-CA 3.48Å; P838-P840 WeakPolarHBondContact O-CD 3.42Å |
| 841 | V | 92.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109.6 | 170.9 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | Y820 V822 T839 I895 L902 | Y820-V841 PolarHBondContact N-O 2.78Å; Y820-V841 PolarHBondContact O-N 2.81Å; V822-V841 HydrophobicContact CG2-CG2 3.85Å; T839-V841 PolarHBondContact O-N 3.11Å; V841-I895 HydrophobicContact CB-CD1 3.6Å; V841-I895 HydrophobicContact CG1-CD1 3.43Å; V841-I895 VanDerWaalsContact CG1-CD1 3.43Å; V841-I895 HydrophobicContact CG2-CD1 4.18Å; V841-L902 HydrophobicContact CG2-CD1 3.54Å |
| 842 | R | 95.1 | Very high | 90.9 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131 | 178.9 | 177.5 | 175.6 | 172.3 | -116.6 | 1.1 | 111 | Y130 E817 I819 A853 V856 | Y130-R842 HydrophobicContact CE2-CB 4.07Å; E817-R842 IonicContact OE1-CZ 3.74Å; E817-R842 IonicContact OE1-NE 3.01Å; E817-R842 PolarHBondContact OE1-NE 3.28Å; E817-R842 IonicContact OE1-NH2 3.08Å; E817-R842 PolarHBondContact OE1-NH2 3.21Å; I819-R842 HydrophobicContact CD1-CB 3.71Å; I819-R842 HydrophobicContact CD1-CG 3.65Å; R842-A853 HydrophobicContact CG-CB 4.31Å; R842-A853 PolarHBondContact NH1-O 2.95Å; R842-A853 WeakPolarHBondContact O-CB 3.47Å; R842-V856 PolarHBondContact NH1-O 3.29Å; R842-V856 PolarHBondContact NH2-O 2.95Å; R842-V856 VanDerWaalsContact NH2-O 3.13Å |
| 843 | M | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 137.5 | 172.5 | -63.3 | 177.9 | 59.7 | 0 | 0 | 109.5 | E817 L818 Y820 L845 Q894 I895 | E817-M843 CarbonylContact C-O 3.33Å; E817-M843 WeakPolarHBondContact CA-O 3.28Å; L818-M843 HydrophobicContact CB-CB 4.41Å; L818-M843 PolarHBondContact N-O 3.47Å; L818-M843 PolarHBondContact O-N 2.94Å; Y820-M843 HydrophobicContact CD2-SD 3.9Å; Y820-M843 HydrophobicContact CE2-SD 3.85Å; M843-L845 HydrophobicContact CB-CG 4.49Å; M843-L845 HydrophobicContact CE-CD1 4.14Å; M843-L845 HydrophobicContact CE-CD2 3.85Å; M843-L845 HydrophobicContact CE-CG 4.32Å; M843-Q894 HydrophobicContact CE-CB 3.8Å; M843-Q894 HydrophobicContact CE-CG 3.81Å; M843-Q894 VanDerWaalsContact CE-OE1 3.28Å; M843-I895 HydrophobicContact SD-CB 3.92Å; M843-I895 HydrophobicContact SD-CD1 4.03Å |
| 844 | L | 96.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 97.8 | 175.6 | 179.6 | 65.5 | 0 | 0 | 0 | 107.8 | L815 E817 N851 L852 A853 V856 F861 | L815-L844 HydrophobicContact CB-CD1 4.05Å; E817-L844 HydrophobicContact CB-CD1 3.88Å; E817-L844 HydrophobicContact CG-CD1 4.31Å; L844-N851 PolarHBondContact N-OD1 3.34Å; L844-N851 CarbonylContact O-C 3.49Å; L844-N851 WeakPolarHBondContact O-CA 3.22Å; L844-L852 HydrophobicContact CB-CB 4.37Å; L844-L852 HydrophobicContact CD2-CB 4.1Å; L844-L852 HydrophobicContact CG-CB 4.25Å; L844-L852 WeakPolarHBondContact O-CB 3.41Å; L844-L852 PolarHBondContact O-N 3.02Å; L844-A853 HydrophobicContact CB-CB 4.21Å; L844-V856 HydrophobicContact CD2-CB 3.84Å; L844-V856 HydrophobicContact CD2-CG1 3.8Å; L844-V856 HydrophobicContact CD2-CG2 4.17Å; L844-F861 HydrophobicContact CD1-CE1 4.12Å; L844-F861 HydrophobicContact CD1-CZ 4.24Å; L844-F861 HydrophobicContact CD2-CE1 4.37Å; L844-F861 HydrophobicContact CD2-CZ 4.29Å |
| 845 | L | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135.3 | -170.7 | -59.7 | -177.4 | 0 | 0 | 0 | 111.5 | L815 V816 L818 M843 N850 N851 I887 | L815-L845 CarbonylContact C-O 3.49Å; L815-L845 WeakPolarHBondContact CA-O 3.32Å; V816-L845 PolarHBondContact N-O 2.77Å; V816-L845 PolarHBondContact O-N 3.13Å; L818-L845 HydrophobicContact CD1-CD1 3.96Å; M843-L845 HydrophobicContact CB-CG 4.49Å; M843-L845 HydrophobicContact CE-CD1 4.14Å; M843-L845 HydrophobicContact CE-CD2 3.85Å; M843-L845 HydrophobicContact CE-CG 4.32Å; L845-N850 WeakPolarHBondContact CA-O 3.27Å; L845-N851 HydrophobicContact CD2-CB 3.79Å; L845-I887 HydrophobicContact CB-CG2 3.51Å; L845-I887 HydrophobicContact CD1-CG2 3.73Å; L845-I887 HydrophobicContact CG-CG2 4.26Å |
| 846 | D | 93.5 | Very high | 92.2 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 177.2 | 163.6 | 76.8 | 5.2 | 0 | 0 | 0 | 111.6 | L815 N848 G849 N850 | L815-D846 HydrophobicContact CD2-CB 4.12Å; D846-N848 PolarHBondContact O-N 3.49Å; D846-N848 VanDerWaalsContact O-N 3.07Å; D846-N848 WeakPolarHBondContact OD1-CA 3.38Å; D846-N848 WeakPolarHBondContact OD1-CB 3.31Å; D846-N848 PolarHBondContact OD1-N 3.08Å; D846-G849 PolarHBondContact O-N 3.28Å; D846-G849 PolarHBondContact OD1-N 2.91Å; D846-N850 PolarHBondContact N-O 3.36Å; D846-N850 VanDerWaalsContact N-O 3.16Å; D846-N850 PolarHBondContact OD1-N 3.06Å; D846-N850 PolarHBondContact OD1-ND2 3.41Å; D846-N850 PolarHBondContact OD2-ND2 2.96Å |
| 847 | K | 90.2 | Very high | 92.4 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.7 | 178.1 | -174.2 | 166.4 | 179.9 | 155.7 | 0 | 114.5 | D883 | K847-D883 WeakPolarHBondContact CE-OD1 3.42Å; K847-D883 IonicContact NZ-OD1 3.77Å; K847-D883 PolarHBondContact NZ-OD1 3.01Å; K847-D883 IonicContact NZ-OD2 3.6Å; K847-D883 PolarHBondContact NZ-OD2 3.05Å |
| 848 | N | 90.8 | Very high | 92.7 | Very high | 125 Ų | 125 | 48.8 Ų | 48.8 | 67% | 0.668 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.8 | 178 | -56.2 | -48.3 | 0 | 0 | 0 | 112.6 | D846 | D846-N848 PolarHBondContact O-N 3.49Å; D846-N848 VanDerWaalsContact O-N 3.07Å; D846-N848 WeakPolarHBondContact OD1-CA 3.38Å; D846-N848 WeakPolarHBondContact OD1-CB 3.31Å; D846-N848 PolarHBondContact OD1-N 3.08Å |
| 849 | G | 90 | Very high | 93.1 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | trans | 80.9 | 15.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | D846 N851 | D846-G849 PolarHBondContact O-N 3.28Å; D846-G849 PolarHBondContact OD1-N 2.91Å; G849-N851 PolarHBondContact O-N 2.7Å | ||
| 850 | N | 93.3 | Very high | 93 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | trans | -73.6 | 125.2 | 173.5 | -59.8 | -55.9 | 0 | 0 | 0 | 109.8 | L845 D846 L852 | L845-N850 WeakPolarHBondContact CA-O 3.27Å; D846-N850 PolarHBondContact N-O 3.36Å; D846-N850 VanDerWaalsContact N-O 3.16Å; D846-N850 PolarHBondContact OD1-N 3.06Å; D846-N850 PolarHBondContact OD1-ND2 3.41Å; D846-N850 PolarHBondContact OD2-ND2 2.96Å; N850-L852 PolarHBondContact O-N 3.49Å | ||
| 851 | N | 94.4 | Very high | 93 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 115.3 | 176.7 | -172.9 | 6.8 | 0 | 0 | 0 | 111.9 | L844 L845 G849 A853 | L844-N851 PolarHBondContact N-OD1 3.34Å; L844-N851 CarbonylContact O-C 3.49Å; L844-N851 WeakPolarHBondContact O-CA 3.22Å; L845-N851 HydrophobicContact CD2-CB 3.79Å; G849-N851 PolarHBondContact O-N 2.7Å; N851-A853 VanDerWaalsContact OD1-CB 3.25Å; N851-A853 WeakPolarHBondContact OD1-CB 3.47Å; N851-A853 PolarHBondContact OD1-N 2.81Å |
| 852 | L | 94 | Very high | 92.9 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | trans | -99.2 | 0.6 | -178.4 | -56.7 | 178.7 | 0 | 0 | 0 | 113.5 | L815 L844 N850 A854 Q855 V856 | L815-L852 HydrophobicContact CD2-CD1 3.97Å; L844-L852 HydrophobicContact CB-CB 4.37Å; L844-L852 HydrophobicContact CD2-CB 4.1Å; L844-L852 HydrophobicContact CG-CB 4.25Å; L844-L852 WeakPolarHBondContact O-CB 3.41Å; L844-L852 PolarHBondContact O-N 3.02Å; N850-L852 PolarHBondContact O-N 3.49Å; L852-A854 VanDerWaalsContact C-N 3.28Å; L852-A854 PolarHBondContact O-N 2.98Å; L852-Q855 PolarHBondContact O-N 3.32Å; L852-Q855 VanDerWaalsContact O-N 3.09Å; L852-Q855 PolarHBondContact O-OE1 2.87Å; L852-V856 HydrophobicContact CB-CG2 4.28Å; L852-V856 WeakPolarHBondContact O-CB 3.41Å; L852-V856 WeakPolarHBondContact O-CG2 3.49Å; L852-V856 PolarHBondContact O-N 3.46Å | ||
| 853 | A | 93.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -35.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R842 L844 N851 Q855 | R842-A853 HydrophobicContact CG-CB 4.31Å; R842-A853 PolarHBondContact NH1-O 2.95Å; R842-A853 WeakPolarHBondContact O-CB 3.47Å; L844-A853 HydrophobicContact CB-CB 4.21Å; N851-A853 VanDerWaalsContact OD1-CB 3.25Å; N851-A853 WeakPolarHBondContact OD1-CB 3.47Å; N851-A853 PolarHBondContact OD1-N 2.81Å; A853-Q855 VanDerWaalsContact C-N 3.34Å |
| 854 | A | 92 | Very high | 92.7 | Very high | 99 Ų | 99 | 65.5 Ų | 65.5 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -26.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L852 | L852-A854 VanDerWaalsContact C-N 3.28Å; L852-A854 PolarHBondContact O-N 2.98Å |
| 855 | Q | 92.3 | Very high | 92.5 | Very high | 141 Ų | 141 | 66.8 Ų | 66.8 | 66% | 0.659 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -16.8 | 178.9 | -58.9 | 84.4 | 2.6 | 0 | 0 | 112.6 | L852 A853 | L852-Q855 PolarHBondContact O-N 3.32Å; L852-Q855 VanDerWaalsContact O-N 3.09Å; L852-Q855 PolarHBondContact O-OE1 2.87Å; A853-Q855 VanDerWaalsContact C-N 3.34Å |
| 856 | V | 91.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -123.1 | 92.8 | -172.5 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | R842 L844 L852 F861 | R842-V856 PolarHBondContact NH1-O 3.29Å; R842-V856 PolarHBondContact NH2-O 2.95Å; R842-V856 VanDerWaalsContact NH2-O 3.13Å; L844-V856 HydrophobicContact CD2-CB 3.84Å; L844-V856 HydrophobicContact CD2-CG1 3.8Å; L844-V856 HydrophobicContact CD2-CG2 4.17Å; L852-V856 HydrophobicContact CB-CG2 4.28Å; L852-V856 WeakPolarHBondContact O-CB 3.41Å; L852-V856 WeakPolarHBondContact O-CG2 3.49Å; L852-V856 PolarHBondContact O-N 3.46Å; V856-F861 HydrophobicContact CG1-CB 3.65Å; V856-F861 HydrophobicContact CG1-CD1 4.47Å; V856-F861 HydrophobicContact CG1-CD2 3.49Å; V856-F861 VanDerWaalsContact CG1-CD2 3.49Å; V856-F861 HydrophobicContact CG1-CE2 4.22Å; V856-F861 HydrophobicContact CG1-CG 3.63Å |
| 857 | E | 93.4 | Very high | 92.1 | Very high | 129 Ų | 129 | 72.8 Ų | 72.8 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | trans | -57.8 | 137.8 | 178.3 | -117.3 | -57.7 | 137.6 | 0 | 0 | 112.3 | F861 | E857-F861 WeakPolarHBondContact O-CB 2.98Å; E857-F861 PolarHBondContact O-N 2.96Å | ||
| 858 | F | 94.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 2% | 0.022 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.1 | -51 | -168.6 | 177.5 | -98.9 | 0 | 0 | 0 | 112.3 | F126 A127 Y130 T860 F861 N862 | F126-F858 HydrophobicContact CE1-CE2 4.29Å; A127-F858 HydrophobicContact CB-CE1 4.16Å; A127-F858 HydrophobicContact CB-CZ 3.99Å; Y130-F858 AromaticContact CD1-CD1 3.52Å; Y130-F858 HydrophobicContact CD1-CD1 3.52Å; Y130-F858 AromaticContact CD1-CD2 3.82Å; Y130-F858 HydrophobicContact CD1-CD2 3.82Å; Y130-F858 AromaticContact CD1-CE1 3.43Å; Y130-F858 HydrophobicContact CD1-CE1 3.43Å; Y130-F858 VanDerWaalsContact CD1-CE1 3.43Å; Y130-F858 AromaticContact CD1-CE2 3.71Å; Y130-F858 HydrophobicContact CD1-CE2 3.71Å; Y130-F858 AromaticContact CD1-CG 3.72Å; Y130-F858 HydrophobicContact CD1-CG 3.72Å; Y130-F858 AromaticContact CD1-CZ 3.53Å; Y130-F858 HydrophobicContact CD1-CZ 3.53Å; Y130-F858 HydrophobicContact CE1-CB 3.97Å; Y130-F858 AromaticContact CE1-CD1 3.59Å; Y130-F858 HydrophobicContact CE1-CD1 3.59Å; Y130-F858 AromaticContact CE1-CD2 3.81Å; Y130-F858 HydrophobicContact CE1-CD2 3.81Å; Y130-F858 HydrophobicContact CE1-CE1 4.03Å; Y130-F858 HydrophobicContact CE1-CE2 4.2Å; Y130-F858 AromaticContact CE1-CG 3.48Å; Y130-F858 HydrophobicContact CE1-CG 3.48Å; Y130-F858 VanDerWaalsContact CE1-CG 3.48Å; Y130-F858 HydrophobicContact CE1-CZ 4.31Å; Y130-F858 HydrophobicContact CG-CE1 4.39Å; Y130-F858 HydrophobicContact CG-CE2 4.17Å; Y130-F858 HydrophobicContact CG-CZ 4.1Å; F858-T860 PolarHBondContact O-N 2.98Å; F858-F861 PolarHBondContact O-N 3.18Å; F858-N862 VanDerWaalsContact O-CB 3.31Å; F858-N862 WeakPolarHBondContact O-CB 3.2Å; F858-N862 PolarHBondContact O-N 3.2Å |
| 859 | E | 91.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 67.5 Ų | 67.5 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.2 | -40.6 | -174.2 | -71.4 | -60.4 | 155.4 | 0 | 0 | 112.3 | R131 F861 R863 | R131-E859 IonicContact CZ-OE1 3.96Å; R131-E859 VanDerWaalsContact CZ-OE1 3.3Å; R131-E859 IonicContact CZ-OE2 2.67Å; R131-E859 IonicContact NE-OE1 3.17Å; R131-E859 PolarHBondContact NE-OE1 3.47Å; R131-E859 IonicContact NE-OE2 3.55Å; R131-E859 VanDerWaalsContact NH2-CD 3.28Å; R131-E859 IonicContact NH2-OE1 3.18Å; R131-E859 PolarHBondContact NH2-OE1 3.21Å; R131-E859 IonicContact NH2-OE2 2.72Å; R131-E859 PolarHBondContact NH2-OE2 3.42Å; E859-F861 VanDerWaalsContact C-N 3.33Å; E859-R863 VanDerWaalsContact O-CG 3.32Å; E859-R863 WeakPolarHBondContact O-CG 3.24Å; E859-R863 PolarHBondContact O-N 3.16Å |
| 860 | T | 90.6 | Very high | 90.9 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | F858 Q864 | F858-T860 PolarHBondContact O-N 2.98Å; T860-Q864 WeakPolarHBondContact O-CG 3.26Å |
| 861 | F | 92.6 | Very high | 90.2 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 176.1 | -175.6 | -117.4 | 0 | 0 | 0 | 111.6 | L804 L815 L844 V856 E857 F858 E859 R863 Q864 L865 | L804-F861 HydrophobicContact CD1-CE2 4.22Å; L804-F861 HydrophobicContact CD2-CE2 3.89Å; L815-F861 HydrophobicContact CD1-CE2 4.33Å; L815-F861 HydrophobicContact CD1-CZ 4.14Å; L844-F861 HydrophobicContact CD1-CE1 4.12Å; L844-F861 HydrophobicContact CD1-CZ 4.24Å; L844-F861 HydrophobicContact CD2-CE1 4.37Å; L844-F861 HydrophobicContact CD2-CZ 4.29Å; V856-F861 HydrophobicContact CG1-CB 3.65Å; V856-F861 HydrophobicContact CG1-CD1 4.47Å; V856-F861 HydrophobicContact CG1-CD2 3.49Å; V856-F861 VanDerWaalsContact CG1-CD2 3.49Å; V856-F861 HydrophobicContact CG1-CE2 4.22Å; V856-F861 HydrophobicContact CG1-CG 3.63Å; E857-F861 WeakPolarHBondContact O-CB 2.98Å; E857-F861 PolarHBondContact O-N 2.96Å; F858-F861 PolarHBondContact O-N 3.18Å; E859-F861 VanDerWaalsContact C-N 3.33Å; F861-R863 VanDerWaalsContact C-N 3.27Å; F861-R863 PolarHBondContact O-N 3.38Å; F861-Q864 WeakPolarHBondContact O-CB 3.49Å; F861-Q864 PolarHBondContact O-N 3.3Å; F861-L865 HydrophobicContact CD1-CD1 4.31Å; F861-L865 HydrophobicContact CE1-CD1 4.14Å; F861-L865 HydrophobicContact CE1-CD2 4.28Å; F861-L865 HydrophobicContact CE2-CD2 4.44Å; F861-L865 HydrophobicContact CZ-CD2 4.08Å |
| 862 | N | 92.5 | Very high | 89.8 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.2 | -41 | 179.7 | -174.2 | 38 | 0 | 0 | 0 | 112.2 | M123 F858 Q864 L865 | M123-N862 VanDerWaalsContact CE-OD1 3.26Å; M123-N862 WeakPolarHBondContact CE-OD1 3.43Å; M123-N862 VanDerWaalsContact CG-OD1 3.25Å; M123-N862 WeakPolarHBondContact CG-OD1 3.5Å; F858-N862 VanDerWaalsContact O-CB 3.31Å; F858-N862 WeakPolarHBondContact O-CB 3.2Å; F858-N862 PolarHBondContact O-N 3.2Å; N862-Q864 PolarHBondContact O-N 3.13Å; N862-L865 WeakPolarHBondContact O-CB 3.23Å; N862-L865 PolarHBondContact O-N 3.44Å; N862-L865 VanDerWaalsContact O-N 3.16Å |
| 863 | R | 91.5 | Very high | 89.4 | Confident | 201 Ų | 201 | 69.1 Ų | 69.1 | 76% | 0.758 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.9 | -21 | 176.9 | -70.6 | 173.8 | -170.4 | -177.7 | 2.8 | 114.6 | E859 F861 | E859-R863 VanDerWaalsContact O-CG 3.32Å; E859-R863 WeakPolarHBondContact O-CG 3.24Å; E859-R863 PolarHBondContact O-N 3.16Å; F861-R863 VanDerWaalsContact C-N 3.27Å; F861-R863 PolarHBondContact O-N 3.38Å |
| 864 | Q | 91.9 | Very high | 89 | Confident | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -87.9 | -10.3 | 178.2 | -64.4 | 176.9 | 18.5 | 0 | 0 | 113 | L804 T860 F861 N862 | L804-Q864 HydrophobicContact CD1-CB 3.85Å; T860-Q864 WeakPolarHBondContact O-CG 3.26Å; F861-Q864 WeakPolarHBondContact O-CB 3.49Å; F861-Q864 PolarHBondContact O-N 3.3Å; N862-Q864 PolarHBondContact O-N 3.13Å |
| 865 | L | 92.8 | Very high | 88.6 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.3 | -178 | -64.1 | 179.6 | 0 | 0 | 0 | 111 | M123 L804 F861 N862 | M123-L865 HydrophobicContact CE-CD1 3.67Å; M123-L865 HydrophobicContact CG-CD1 4.44Å; M123-L865 HydrophobicContact SD-CD1 3.95Å; L804-L865 HydrophobicContact CB-CD2 4.06Å; L804-L865 HydrophobicContact CD1-CD2 4.13Å; F861-L865 HydrophobicContact CD1-CD1 4.31Å; F861-L865 HydrophobicContact CE1-CD1 4.14Å; F861-L865 HydrophobicContact CE1-CD2 4.28Å; F861-L865 HydrophobicContact CE2-CD2 4.44Å; F861-L865 HydrophobicContact CZ-CD2 4.08Å; N862-L865 WeakPolarHBondContact O-CB 3.23Å; N862-L865 PolarHBondContact O-N 3.44Å; N862-L865 VanDerWaalsContact O-N 3.16Å |
| 866 | N | 92.2 | Very high | 88.4 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.7 | 174.1 | -65.1 | 123 | 0 | 0 | 0 | 110.3 | L803 K805 | L803-N866 HydrophobicContact CB-CB 4.38Å; L803-N866 PolarHBondContact N-O 3.21Å; L803-N866 PolarHBondContact O-N 3.42Å; K805-N866 VanDerWaalsContact CD-OD1 3.23Å; K805-N866 WeakPolarHBondContact CD-OD1 3.42Å; K805-N866 WeakPolarHBondContact CE-OD1 3.22Å; K805-N866 WeakPolarHBondContact CG-OD1 3.43Å |
| 867 | A | 88.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 66 Ų | 66 | 78% | 0.777 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 144.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 868 | V | 87.5 | Confident | 87.8 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | trans | -115.3 | 136.1 | 175.6 | -171.8 | 0 | 0 | 0 | 0 | 108.3 | I801 L803 T872 L876 | I801-V868 HydrophobicContact CG2-CB 4.25Å; L803-V868 HydrophobicContact CB-CG2 4.31Å; L803-V868 HydrophobicContact CD1-CG2 3.83Å; L803-V868 HydrophobicContact CG-CG2 3.54Å; V868-T872 HydrophobicContact CG1-CG2 4Å; V868-L876 HydrophobicContact CG1-CD1 4.25Å | ||
| 869 | N | 83.5 | Confident | 87.5 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | trans | -65.8 | 146.6 | 173.1 | 71.2 | 52.3 | 0 | 0 | 0 | 110.3 | H871 T872 G873 | N869-H871 VanDerWaalsContact C-N 3.29Å; N869-H871 PolarHBondContact O-N 3.38Å; N869-H871 VanDerWaalsContact O-N 3.14Å; N869-H871 PolarHBondContact OD1-N 3.02Å; N869-T872 VanDerWaalsContact CG-OG1 3.27Å; N869-T872 PolarHBondContact ND2-OG1 3.06Å; N869-T872 PolarHBondContact O-N 3.49Å; N869-T872 VanDerWaalsContact O-N 3.08Å; N869-T872 WeakPolarHBondContact OD1-CB 3.39Å; N869-T872 PolarHBondContact OD1-N 3.37Å; N869-T872 PolarHBondContact OD1-OG1 2.68Å; N869-G873 PolarHBondContact O-N 3.31Å | ||
| 870 | R | 76.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -48.6 | -45.5 | -174.6 | -171.3 | -176.2 | -171.3 | 135.4 | 36.6 | 114.4 | D12 V50 T51 G873 S874 | D12-R870 IonicContact OD1-NH2 3.68Å; D12-R870 PolarHBondContact OD1-NH2 2.93Å; D12-R870 IonicContact OD2-CZ 2.77Å; D12-R870 IonicContact OD2-NH1 2.71Å; D12-R870 PolarHBondContact OD2-NH1 2.92Å; D12-R870 IonicContact OD2-NH2 2.78Å; D12-R870 PolarHBondContact OD2-NH2 3.42Å; V50-R870 PolarHBondContact O-NH1 3.29Å; V50-R870 VanDerWaalsContact O-NH1 3.13Å; T51-R870 PolarHBondContact OG1-NH2 3.25Å; R870-G873 PolarHBondContact O-N 3.49Å; R870-S874 PolarHBondContact O-N 3.12Å |
| 871 | H | 77.9 | Confident | 87.1 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | -177.7 | 174.7 | -92.9 | 0 | 0 | 0 | 112.8 | N869 K875 | N869-H871 VanDerWaalsContact C-N 3.29Å; N869-H871 PolarHBondContact O-N 3.38Å; N869-H871 VanDerWaalsContact O-N 3.14Å; N869-H871 PolarHBondContact OD1-N 3.02Å; H871-K875 WeakPolarHBondContact CE1-CE 3.42Å; H871-K875 PolarHBondContact CE1-NZ 3.41Å; H871-K875 VanDerWaalsContact CE1-NZ 3.33Å; H871-K875 WeakPolarHBondContact NE2-CE 3.37Å; H871-K875 WeakPolarHBondContact O-CG 3.36Å; H871-K875 PolarHBondContact O-N 3Å |
| 872 | T | 85.2 | Confident | 86.8 | Confident | 55 Ų | 55 | 71 Ų | 71 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 174.8 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | V868 N869 K875 L876 | V868-T872 HydrophobicContact CG1-CG2 4Å; N869-T872 VanDerWaalsContact CG-OG1 3.27Å; N869-T872 PolarHBondContact ND2-OG1 3.06Å; N869-T872 PolarHBondContact O-N 3.49Å; N869-T872 VanDerWaalsContact O-N 3.08Å; N869-T872 WeakPolarHBondContact OD1-CB 3.39Å; N869-T872 PolarHBondContact OD1-N 3.37Å; N869-T872 PolarHBondContact OD1-OG1 2.68Å; T872-K875 PolarHBondContact O-N 3.1Å; T872-L876 HydrophobicContact CG2-CD1 4.18Å; T872-L876 HydrophobicContact CG2-CG 4.5Å; T872-L876 VanDerWaalsContact O-CG 3.32Å; T872-L876 WeakPolarHBondContact O-CG 3.42Å; T872-L876 PolarHBondContact O-N 3.44Å |
| 873 | G | 86.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57 | -53.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | I120 N869 R870 K875 L876 V877 | I120-G873 VanDerWaalsContact CD1-C 3.44Å; N869-G873 PolarHBondContact O-N 3.31Å; R870-G873 PolarHBondContact O-N 3.49Å; G873-K875 VanDerWaalsContact C-N 3.32Å; G873-K875 PolarHBondContact O-N 3.31Å; G873-L876 WeakPolarHBondContact O-CB 3.31Å; G873-L876 PolarHBondContact O-N 2.8Å; G873-V877 WeakPolarHBondContact O-CG2 3.48Å; G873-V877 PolarHBondContact O-N 3.35Å |
| 874 | S | 83.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58 | -41.1 | 178.4 | 171.8 | 0 | 0 | 0 | 0 | 112.6 | R870 L876 V877 N878 | R870-S874 PolarHBondContact O-N 3.12Å; S874-L876 PolarHBondContact O-N 3.21Å; S874-V877 PolarHBondContact O-N 3.04Å; S874-N878 WeakPolarHBondContact O-CB 3.39Å; S874-N878 PolarHBondContact O-N 2.99Å; S874-N878 PolarHBondContact O-ND2 2.81Å |
| 875 | K | 85.4 | Confident | 86.3 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 174.5 | -73.4 | -175.3 | 177.7 | -171.7 | 0 | 113 | H871 T872 G873 A879 | H871-K875 WeakPolarHBondContact CE1-CE 3.42Å; H871-K875 PolarHBondContact CE1-NZ 3.41Å; H871-K875 VanDerWaalsContact CE1-NZ 3.33Å; H871-K875 WeakPolarHBondContact NE2-CE 3.37Å; H871-K875 WeakPolarHBondContact O-CG 3.36Å; H871-K875 PolarHBondContact O-N 3Å; T872-K875 PolarHBondContact O-N 3.1Å; G873-K875 VanDerWaalsContact C-N 3.32Å; G873-K875 PolarHBondContact O-N 3.31Å; K875-A879 PolarHBondContact O-N 3.21Å; K875-A879 VanDerWaalsContact O-N 3.13Å |
| 876 | L | 88 | Confident | 86.1 | Confident | 65 Ų | 65 | 64.5 Ų | 64.5 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 177.2 | -72.3 | 170.9 | 0 | 0 | 0 | 110.9 | I801 L803 V868 T872 G873 S874 N878 A879 V880 | I801-L876 HydrophobicContact CD1-CB 3.84Å; I801-L876 HydrophobicContact CD1-CD1 4.45Å; L803-L876 HydrophobicContact CD2-CD1 4.42Å; V868-L876 HydrophobicContact CG1-CD1 4.25Å; T872-L876 HydrophobicContact CG2-CD1 4.18Å; T872-L876 HydrophobicContact CG2-CG 4.5Å; T872-L876 VanDerWaalsContact O-CG 3.32Å; T872-L876 WeakPolarHBondContact O-CG 3.42Å; T872-L876 PolarHBondContact O-N 3.44Å; G873-L876 WeakPolarHBondContact O-CB 3.31Å; G873-L876 PolarHBondContact O-N 2.8Å; S874-L876 PolarHBondContact O-N 3.21Å; L876-N878 VanDerWaalsContact C-N 3.35Å; L876-N878 PolarHBondContact O-N 3.19Å; L876-A879 WeakPolarHBondContact O-CB 3.03Å; L876-A879 PolarHBondContact O-N 2.69Å; L876-A879 VanDerWaalsContact O-N 3.08Å; L876-V880 WeakPolarHBondContact O-CG2 3.37Å; L876-V880 PolarHBondContact O-N 2.68Å; L876-V880 VanDerWaalsContact O-N 3.12Å |
| 877 | V | 87.7 | Confident | 86.1 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.7 | -49.4 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L115 F116 I120 I801 G873 S874 A879 V880 Q881 | L115-V877 HydrophobicContact CD1-CG1 4.47Å; L115-V877 HydrophobicContact CD1-CG2 3.76Å; L115-V877 HydrophobicContact CG-CG1 4Å; L115-V877 HydrophobicContact CG-CG2 4.18Å; L115-V877 WeakPolarHBondContact O-CG1 3.36Å; F116-V877 HydrophobicContact CD1-CG1 3.72Å; F116-V877 HydrophobicContact CE1-CG1 4.3Å; I120-V877 HydrophobicContact CD1-CG2 4.03Å; I801-V877 HydrophobicContact CD1-CG2 3.83Å; G873-V877 WeakPolarHBondContact O-CG2 3.48Å; G873-V877 PolarHBondContact O-N 3.35Å; S874-V877 PolarHBondContact O-N 3.04Å; V877-A879 VanDerWaalsContact C-N 3.27Å; V877-A879 PolarHBondContact O-N 3.29Å; V877-V880 CarbonylContact O-C 3.55Å; V877-V880 PolarHBondContact O-N 3.41Å; V877-V880 VanDerWaalsContact O-N 3.12Å; V877-Q881 PolarHBondContact O-N 2.74Å |
| 878 | N | 83.6 | Confident | 86.1 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 176.7 | -75.9 | -24.9 | 0 | 0 | 0 | 112.3 | N56 S874 L876 V880 | N56-N878 PolarHBondContact ND2-OD1 3.4Å; S874-N878 WeakPolarHBondContact O-CB 3.39Å; S874-N878 PolarHBondContact O-N 2.99Å; S874-N878 PolarHBondContact O-ND2 2.81Å; L876-N878 VanDerWaalsContact C-N 3.35Å; L876-N878 PolarHBondContact O-N 3.19Å; N878-V880 VanDerWaalsContact C-N 3.3Å; N878-V880 PolarHBondContact O-N 3.01Å |
| 879 | A | 87.6 | Confident | 86 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 69% | 0.686 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.2 | -26.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K875 L876 V877 | K875-A879 PolarHBondContact O-N 3.21Å; K875-A879 VanDerWaalsContact O-N 3.13Å; L876-A879 WeakPolarHBondContact O-CB 3.03Å; L876-A879 PolarHBondContact O-N 2.69Å; L876-A879 VanDerWaalsContact O-N 3.08Å; V877-A879 VanDerWaalsContact C-N 3.27Å; V877-A879 PolarHBondContact O-N 3.29Å |
| 880 | V | 88.3 | Confident | 86.2 | Confident | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -107.9 | 5.3 | -179.4 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | L814 L876 V877 N878 Q882 D883 V884 | L814-V880 HydrophobicContact CD1-CB 4.38Å; L814-V880 HydrophobicContact CD1-CG1 4.35Å; L814-V880 HydrophobicContact CD1-CG2 4.26Å; L814-V880 HydrophobicContact CD2-CB 4.04Å; L814-V880 HydrophobicContact CD2-CG1 4.38Å; L876-V880 WeakPolarHBondContact O-CG2 3.37Å; L876-V880 PolarHBondContact O-N 2.68Å; L876-V880 VanDerWaalsContact O-N 3.12Å; V877-V880 CarbonylContact O-C 3.55Å; V877-V880 PolarHBondContact O-N 3.41Å; V877-V880 VanDerWaalsContact O-N 3.12Å; N878-V880 VanDerWaalsContact C-N 3.3Å; N878-V880 PolarHBondContact O-N 3.01Å; V880-Q882 VanDerWaalsContact C-N 3.31Å; V880-Q882 PolarHBondContact O-N 3.33Å; V880-D883 PolarHBondContact O-N 3.14Å; V880-V884 HydrophobicContact CB-CG2 4.34Å; V880-V884 HydrophobicContact CG2-CG2 3.75Å; V880-V884 WeakPolarHBondContact O-CG2 3.2Å; V880-V884 PolarHBondContact O-N 3.03Å |
| 881 | Q | 86.2 | Confident | 86.8 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -51.9 | -46.1 | -172.2 | -177.5 | 175.4 | 8.4 | 0 | 0 | 112.8 | N56 F116 V877 V884 H885 | N56-Q881 PolarHBondContact ND2-OE1 2.79Å; N56-Q881 VanDerWaalsContact ND2-OE1 3.15Å; F116-Q881 HydrophobicContact CD1-CB 4.32Å; F116-Q881 HydrophobicContact CD1-CG 3.72Å; F116-Q881 HydrophobicContact CE1-CB 4.18Å; F116-Q881 HydrophobicContact CE1-CG 3.71Å; F116-Q881 HydrophobicContact CG-CG 4.27Å; F116-Q881 HydrophobicContact CZ-CG 4.22Å; V877-Q881 PolarHBondContact O-N 2.74Å; Q881-V884 PolarHBondContact O-N 3.44Å; Q881-H885 PolarHBondContact O-N 3.21Å |
| 882 | Q | 86.2 | Confident | 87 | Confident | 174 Ų | 174 | 58.7 Ų | 58.7 | 81% | 0.813 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 178.5 | -68.5 | -176.4 | -12.7 | 0 | 0 | 112.7 | V880 H885 A886 | V880-Q882 VanDerWaalsContact C-N 3.31Å; V880-Q882 PolarHBondContact O-N 3.33Å; Q882-H885 PolarHBondContact O-N 3.42Å; Q882-A886 PolarHBondContact O-N 2.81Å; Q882-A886 VanDerWaalsContact O-N 3.11Å |
| 883 | D | 89.9 | Confident | 87 | Confident | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 177.9 | -74 | -30.2 | 0 | 0 | 0 | 110.6 | L814 K847 V880 A886 I887 | L814-D883 HydrophobicContact CD2-CB 3.66Å; K847-D883 WeakPolarHBondContact CE-OD1 3.42Å; K847-D883 IonicContact NZ-OD1 3.77Å; K847-D883 PolarHBondContact NZ-OD1 3.01Å; K847-D883 IonicContact NZ-OD2 3.6Å; K847-D883 PolarHBondContact NZ-OD2 3.05Å; V880-D883 PolarHBondContact O-N 3.14Å; D883-A886 PolarHBondContact O-N 3.29Å; D883-I887 WeakPolarHBondContact O-CD1 3.36Å; D883-I887 WeakPolarHBondContact O-CG1 3.29Å; D883-I887 PolarHBondContact O-N 3.09Å |
| 884 | V | 89.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.5 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | F116 L814 V816 V880 Q881 A886 I887 L888 | F116-V884 HydrophobicContact CE1-CB 4.22Å; F116-V884 HydrophobicContact CE1-CG1 4.1Å; F116-V884 HydrophobicContact CZ-CB 4.17Å; F116-V884 HydrophobicContact CZ-CG1 3.81Å; L814-V884 HydrophobicContact CD2-CG2 4.32Å; V816-V884 HydrophobicContact CG2-CG2 4.22Å; V880-V884 HydrophobicContact CB-CG2 4.34Å; V880-V884 HydrophobicContact CG2-CG2 3.75Å; V880-V884 WeakPolarHBondContact O-CG2 3.2Å; V880-V884 PolarHBondContact O-N 3.03Å; Q881-V884 PolarHBondContact O-N 3.44Å; V884-A886 VanDerWaalsContact C-N 3.31Å; V884-A886 PolarHBondContact O-N 3.39Å; V884-I887 PolarHBondContact O-N 3.36Å; V884-L888 HydrophobicContact CG1-CD1 4.1Å; V884-L888 HydrophobicContact CG1-CG 4.27Å; V884-L888 VanDerWaalsContact O-CG 3.32Å; V884-L888 WeakPolarHBondContact O-CG 3.4Å; V884-L888 PolarHBondContact O-N 2.67Å |
| 885 | H | 86.5 | Confident | 87.4 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 177.9 | -141.1 | 84 | 0 | 0 | 0 | 112 | Q881 Q882 L888 Q889 | Q881-H885 PolarHBondContact O-N 3.21Å; Q882-H885 PolarHBondContact O-N 3.42Å; H885-L888 PolarHBondContact O-N 2.82Å; H885-Q889 WeakPolarHBondContact O-CG 3.43Å; H885-Q889 PolarHBondContact O-N 3.49Å |
| 886 | A | 88.2 | Confident | 87.3 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q882 D883 V884 Q889 L890 | Q882-A886 PolarHBondContact O-N 2.81Å; Q882-A886 VanDerWaalsContact O-N 3.11Å; D883-A886 PolarHBondContact O-N 3.29Å; V884-A886 VanDerWaalsContact C-N 3.31Å; V884-A886 PolarHBondContact O-N 3.39Å; A886-Q889 PolarHBondContact O-N 3.35Å; A886-L890 WeakPolarHBondContact O-CG 3.34Å; A886-L890 PolarHBondContact O-N 3.01Å |
| 887 | I | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 178 | -65.3 | 163 | 0 | 0 | 0 | 111.4 | L814 V816 L845 D883 V884 Q889 L890 G891 | L814-I887 HydrophobicContact CD2-CD1 3.88Å; L814-I887 HydrophobicContact CG-CD1 4.32Å; V816-I887 HydrophobicContact CB-CG2 3.79Å; V816-I887 HydrophobicContact CG1-CG2 4.4Å; V816-I887 HydrophobicContact CG2-CB 4.18Å; V816-I887 HydrophobicContact CG2-CD1 3.61Å; V816-I887 HydrophobicContact CG2-CG2 3.86Å; L845-I887 HydrophobicContact CB-CG2 3.51Å; L845-I887 HydrophobicContact CD1-CG2 3.73Å; L845-I887 HydrophobicContact CG-CG2 4.26Å; D883-I887 WeakPolarHBondContact O-CD1 3.36Å; D883-I887 WeakPolarHBondContact O-CG1 3.29Å; D883-I887 PolarHBondContact O-N 3.09Å; V884-I887 PolarHBondContact O-N 3.36Å; I887-Q889 PolarHBondContact O-N 2.99Å; I887-L890 PolarHBondContact O-N 3.04Å; I887-G891 PolarHBondContact O-N 3.38Å |
| 888 | L | 87.2 | Confident | 87.3 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.7 | -73.4 | 171.6 | 0 | 0 | 0 | 111.7 | Q112 L818 V884 H885 L890 G891 E892 | Q112-L888 HydrophobicContact CB-CD1 3.92Å; Q112-L888 HydrophobicContact CG-CD1 4.45Å; L818-L888 HydrophobicContact CD1-CD2 4.02Å; L818-L888 HydrophobicContact CD2-CD2 3.46Å; L818-L888 VanDerWaalsContact CD2-CD2 3.46Å; L818-L888 HydrophobicContact CG-CD2 4.39Å; V884-L888 HydrophobicContact CG1-CD1 4.1Å; V884-L888 HydrophobicContact CG1-CG 4.27Å; V884-L888 VanDerWaalsContact O-CG 3.32Å; V884-L888 WeakPolarHBondContact O-CG 3.4Å; V884-L888 PolarHBondContact O-N 2.67Å; H885-L888 PolarHBondContact O-N 2.82Å; L888-L890 VanDerWaalsContact C-N 3.32Å; L888-L890 PolarHBondContact O-N 3.34Å; L888-G891 PolarHBondContact O-N 2.92Å; L888-G891 VanDerWaalsContact O-N 3.13Å; L888-E892 PolarHBondContact O-N 3.49Å |
| 889 | Q | 85.2 | Confident | 87.5 | Confident | 122 Ų | 122 | 64.8 Ų | 64.8 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 176.3 | -70.6 | 178 | -6 | 0 | 0 | 112.5 | H885 A886 I887 G891 | H885-Q889 WeakPolarHBondContact O-CG 3.43Å; H885-Q889 PolarHBondContact O-N 3.49Å; A886-Q889 PolarHBondContact O-N 3.35Å; I887-Q889 PolarHBondContact O-N 2.99Å; Q889-G891 VanDerWaalsContact C-N 3.34Å |
| 890 | L | 89.6 | Confident | 87.5 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 173.9 | -65.7 | 172.3 | 0 | 0 | 0 | 111.5 | A886 I887 L888 Q894 | A886-L890 WeakPolarHBondContact O-CG 3.34Å; A886-L890 PolarHBondContact O-N 3.01Å; I887-L890 PolarHBondContact O-N 3.04Å; L888-L890 VanDerWaalsContact C-N 3.32Å; L888-L890 PolarHBondContact O-N 3.34Å; L890-Q894 PolarHBondContact O-N 3.29Å |
| 891 | G | 88.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I887 L888 Q889 A893 Q894 I895 | I887-G891 PolarHBondContact O-N 3.38Å; L888-G891 PolarHBondContact O-N 2.92Å; L888-G891 VanDerWaalsContact O-N 3.13Å; Q889-G891 VanDerWaalsContact C-N 3.34Å; G891-A893 VanDerWaalsContact C-N 3.31Å; G891-A893 PolarHBondContact O-N 3.23Å; G891-Q894 PolarHBondContact O-N 2.85Å; G891-I895 PolarHBondContact O-N 3.43Å |
| 892 | E | 82.5 | Confident | 88 | Confident | 114 Ų | 114 | 71 Ų | 71 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 178.1 | -75.9 | 179 | -175.4 | 0 | 0 | 112.5 | L888 Q894 I895 E896 | L888-E892 PolarHBondContact O-N 3.49Å; E892-Q894 VanDerWaalsContact C-N 3.33Å; E892-Q894 PolarHBondContact O-N 3.34Å; E892-I895 VanDerWaalsContact O-CG2 3.29Å; E892-I895 WeakPolarHBondContact O-CG2 3.48Å; E892-E896 PolarHBondContact O-N 3.44Å |
| 893 | A | 84.6 | Confident | 88.1 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.3 | -27.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G891 | G891-A893 VanDerWaalsContact C-N 3.31Å; G891-A893 PolarHBondContact O-N 3.23Å |
| 894 | Q | 89.6 | Confident | 88.2 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -87.3 | -35.5 | -179.8 | -179.9 | 175.7 | 21.8 | 0 | 0 | 112.3 | M843 L890 G891 E892 E896 K897 S898 | M843-Q894 HydrophobicContact CE-CB 3.8Å; M843-Q894 HydrophobicContact CE-CG 3.81Å; M843-Q894 VanDerWaalsContact CE-OE1 3.28Å; L890-Q894 PolarHBondContact O-N 3.29Å; G891-Q894 PolarHBondContact O-N 2.85Å; E892-Q894 VanDerWaalsContact C-N 3.33Å; E892-Q894 PolarHBondContact O-N 3.34Å; Q894-E896 VanDerWaalsContact C-N 3.33Å; Q894-E896 PolarHBondContact O-N 3.44Å; Q894-K897 PolarHBondContact O-N 2.91Å; Q894-S898 PolarHBondContact O-OG 2.88Å |
| 895 | I | 88.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 178.6 | -171.5 | 66.5 | 0 | 0 | 0 | 111.7 | Y820 V841 M843 G891 E892 K897 S898 A899 T955 | Y820-I895 HydrophobicContact CD1-CB 4.46Å; Y820-I895 HydrophobicContact CD1-CG1 4.04Å; Y820-I895 HydrophobicContact CD1-CG2 4.12Å; Y820-I895 HydrophobicContact CD2-CB 3.98Å; Y820-I895 HydrophobicContact CD2-CD1 3.88Å; Y820-I895 HydrophobicContact CD2-CG1 3.77Å; Y820-I895 HydrophobicContact CD2-CG2 4.38Å; Y820-I895 HydrophobicContact CE1-CG2 3.95Å; Y820-I895 HydrophobicContact CE2-CB 4.11Å; Y820-I895 HydrophobicContact CE2-CG1 4.39Å; Y820-I895 HydrophobicContact CE2-CG2 4.22Å; Y820-I895 HydrophobicContact CG-CB 4.16Å; Y820-I895 HydrophobicContact CG-CD1 3.9Å; Y820-I895 HydrophobicContact CG-CG1 3.57Å; Y820-I895 HydrophobicContact CG-CG2 4.33Å; V841-I895 HydrophobicContact CB-CD1 3.6Å; V841-I895 HydrophobicContact CG1-CD1 3.43Å; V841-I895 VanDerWaalsContact CG1-CD1 3.43Å; V841-I895 HydrophobicContact CG2-CD1 4.18Å; M843-I895 HydrophobicContact SD-CB 3.92Å; M843-I895 HydrophobicContact SD-CD1 4.03Å; G891-I895 PolarHBondContact O-N 3.43Å; E892-I895 VanDerWaalsContact O-CG2 3.29Å; E892-I895 WeakPolarHBondContact O-CG2 3.48Å; I895-K897 PolarHBondContact O-N 3.02Å; I895-K897 VanDerWaalsContact O-N 3.14Å; I895-S898 PolarHBondContact O-N 2.97Å; I895-A899 WeakPolarHBondContact O-CB 3.17Å; I895-A899 PolarHBondContact O-N 3.17Å; I895-T955 HydrophobicContact CG1-CG2 3.82Å |
| 896 | E | 84.7 | Confident | 88.7 | Confident | 134 Ų | 134 | 62.3 Ų | 62.3 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -53 | -40 | 179.9 | -172.2 | 178.6 | -174.3 | 0 | 0 | 112.1 | E892 Q894 R900 | E892-E896 PolarHBondContact O-N 3.44Å; Q894-E896 VanDerWaalsContact C-N 3.33Å; Q894-E896 PolarHBondContact O-N 3.44Å; E896-R900 VanDerWaalsContact O-CB 3.3Å; E896-R900 WeakPolarHBondContact O-CB 3.37Å; E896-R900 PolarHBondContact O-N 2.71Å |
| 897 | K | 87.3 | Confident | 88.9 | Confident | 164 Ų | 164 | 64.1 Ų | 64.1 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.8 | -42.7 | 176 | -64 | 179.2 | -176.6 | 174.6 | 0 | 112.7 | Q894 I895 A901 | Q894-K897 PolarHBondContact O-N 2.91Å; I895-K897 PolarHBondContact O-N 3.02Å; I895-K897 VanDerWaalsContact O-N 3.14Å; K897-A901 PolarHBondContact O-N 3.25Å; K897-A901 VanDerWaalsContact O-N 3.14Å |
| 898 | S | 88.8 | Confident | 89 | Confident | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.8 | -39.8 | -177.3 | -53.2 | 0 | 0 | 0 | 0 | 111 | Q894 I895 A901 L902 | Q894-S898 PolarHBondContact O-OG 2.88Å; I895-S898 PolarHBondContact O-N 2.97Å; S898-A901 PolarHBondContact O-N 3.01Å; S898-L902 WeakPolarHBondContact O-CG 3.43Å; S898-L902 PolarHBondContact O-N 3.33Å; S898-L902 VanDerWaalsContact O-N 3.12Å |
| 899 | A | 86.1 | Confident | 89.3 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V822 I895 A901 L902 I903 T955 | V822-A899 HydrophobicContact CG1-CB 4.33Å; V822-A899 HydrophobicContact CG2-CB 3.7Å; I895-A899 WeakPolarHBondContact O-CB 3.17Å; I895-A899 PolarHBondContact O-N 3.17Å; A899-A901 VanDerWaalsContact C-N 3.27Å; A899-A901 PolarHBondContact O-N 2.82Å; A899-L902 PolarHBondContact O-N 3.16Å; A899-L902 VanDerWaalsContact O-N 3.09Å; A899-I903 VanDerWaalsContact O-CG1 3.29Å; A899-I903 WeakPolarHBondContact O-CG1 3.35Å; A899-I903 PolarHBondContact O-N 2.96Å; A899-T955 HydrophobicContact CB-CG2 3.11Å |
| 900 | R | 88.6 | Confident | 89.7 | Confident | 170 Ų | 170 | 64.5 Ų | 64.5 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.2 | -41.5 | 175.2 | -172.1 | 170.5 | -175.5 | 159.4 | 5.4 | 111.9 | E896 L902 I903 D904 | E896-R900 VanDerWaalsContact O-CB 3.3Å; E896-R900 WeakPolarHBondContact O-CB 3.37Å; E896-R900 PolarHBondContact O-N 2.71Å; R900-L902 VanDerWaalsContact C-N 3.34Å; R900-L902 PolarHBondContact O-N 3.25Å; R900-I903 PolarHBondContact O-N 3.42Å; R900-D904 VanDerWaalsContact O-CB 3.32Å; R900-D904 WeakPolarHBondContact O-CB 3.41Å; R900-D904 PolarHBondContact O-N 3.48Å |
| 901 | A | 92 | Very high | 89.8 | Confident | 59 Ų | 59 | 63 Ų | 63 | 49% | 0.488 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | K897 S898 A899 A905 | K897-A901 PolarHBondContact O-N 3.25Å; K897-A901 VanDerWaalsContact O-N 3.14Å; S898-A901 PolarHBondContact O-N 3.01Å; A899-A901 VanDerWaalsContact C-N 3.27Å; A899-A901 PolarHBondContact O-N 2.82Å; A901-A905 WeakPolarHBondContact O-CB 3.48Å; A901-A905 PolarHBondContact O-N 2.95Å |
| 902 | L | 91.8 | Very high | 90 | Very high | 61 Ų | 61 | 69.9 Ų | 69.9 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 175.6 | -72.3 | 169.2 | 0 | 0 | 0 | 112.1 | V822 T839 V841 S898 A899 R900 A905 A906 | V822-L902 HydrophobicContact CG2-CD1 4.04Å; T839-L902 HydrophobicContact CG2-CD1 4.22Å; V841-L902 HydrophobicContact CG2-CD1 3.54Å; S898-L902 WeakPolarHBondContact O-CG 3.43Å; S898-L902 PolarHBondContact O-N 3.33Å; S898-L902 VanDerWaalsContact O-N 3.12Å; A899-L902 PolarHBondContact O-N 3.16Å; A899-L902 VanDerWaalsContact O-N 3.09Å; R900-L902 VanDerWaalsContact C-N 3.34Å; R900-L902 PolarHBondContact O-N 3.25Å; L902-A905 PolarHBondContact O-N 3Å; L902-A906 WeakPolarHBondContact O-CB 3.48Å; L902-A906 PolarHBondContact O-N 3.36Å |
| 903 | I | 88.7 | Confident | 90.4 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.2 | -66.1 | 162 | 0 | 0 | 0 | 110.2 | V822 L836 A899 R900 A905 A906 R907 L950 A953 | V822-I903 HydrophobicContact CG1-CD1 4.18Å; V822-I903 HydrophobicContact CG1-CG1 3.93Å; L836-I903 HydrophobicContact CD2-CG1 4.09Å; A899-I903 VanDerWaalsContact O-CG1 3.29Å; A899-I903 WeakPolarHBondContact O-CG1 3.35Å; A899-I903 PolarHBondContact O-N 2.96Å; R900-I903 PolarHBondContact O-N 3.42Å; I903-A905 VanDerWaalsContact C-N 3.31Å; I903-A905 PolarHBondContact O-N 3.12Å; I903-A906 PolarHBondContact O-N 2.88Å; I903-R907 VanDerWaalsContact O-CB 3.28Å; I903-R907 WeakPolarHBondContact O-CB 3.14Å; I903-R907 PolarHBondContact O-N 3.49Å; I903-L950 WeakPolarHBondContact CG2-O 3.46Å; I903-A953 HydrophobicContact CD1-CB 3.68Å; I903-A953 HydrophobicContact CG1-CB 3.78Å; I903-A953 HydrophobicContact CG2-CB 4.25Å |
| 904 | D | 92.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.9 | -71.6 | -24 | 0 | 0 | 0 | 111.3 | R900 R907 N908 | R900-D904 VanDerWaalsContact O-CB 3.32Å; R900-D904 WeakPolarHBondContact O-CB 3.41Å; R900-D904 PolarHBondContact O-N 3.48Å; D904-R907 PolarHBondContact O-N 3.04Å; D904-N908 PolarHBondContact O-N 3.04Å; D904-N908 PolarHBondContact O-ND2 2.62Å; D904-N908 VanDerWaalsContact O-ND2 3.17Å |
| 905 | A | 94.1 | Very high | 90.7 | Very high | 55 Ų | 55 | 65.5 Ų | 65.5 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A901 L902 I903 R907 N908 E909 | A901-A905 WeakPolarHBondContact O-CB 3.48Å; A901-A905 PolarHBondContact O-N 2.95Å; L902-A905 PolarHBondContact O-N 3Å; I903-A905 VanDerWaalsContact C-N 3.31Å; I903-A905 PolarHBondContact O-N 3.12Å; A905-R907 VanDerWaalsContact C-N 3.3Å; A905-R907 PolarHBondContact O-N 3.23Å; A905-N908 PolarHBondContact O-N 3.27Å; A905-E909 WeakPolarHBondContact O-CB 3.4Å; A905-E909 PolarHBondContact O-N 3.29Å |
| 906 | A | 92.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F835 L836 L902 I903 E909 A910 L950 | F835-A906 HydrophobicContact CB-CB 4.41Å; L836-A906 HydrophobicContact CB-CB 3.83Å; L836-A906 HydrophobicContact CD1-CB 4.27Å; L836-A906 HydrophobicContact CG-CB 4.49Å; L902-A906 WeakPolarHBondContact O-CB 3.48Å; L902-A906 PolarHBondContact O-N 3.36Å; I903-A906 PolarHBondContact O-N 2.88Å; A906-E909 PolarHBondContact O-N 3.03Å; A906-A910 WeakPolarHBondContact O-CB 3.29Å; A906-A910 PolarHBondContact O-N 3.25Å; A906-L950 HydrophobicContact CB-CD2 4.22Å |
| 907 | R | 92.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 33% | 0.328 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 176.1 | -173.1 | 177.1 | -171 | -96 | 0.5 | 112.1 | I903 D904 A905 A910 D911 M947 L950 D951 | I903-R907 VanDerWaalsContact O-CB 3.28Å; I903-R907 WeakPolarHBondContact O-CB 3.14Å; I903-R907 PolarHBondContact O-N 3.49Å; D904-R907 PolarHBondContact O-N 3.04Å; A905-R907 VanDerWaalsContact C-N 3.3Å; A905-R907 PolarHBondContact O-N 3.23Å; R907-A910 PolarHBondContact O-N 3.4Å; R907-D911 WeakPolarHBondContact O-CB 3.33Å; R907-D911 PolarHBondContact O-N 2.83Å; R907-M947 HydrophobicContact CG-CE 3.61Å; R907-M947 HydrophobicContact CG-SD 3.83Å; R907-L950 HydrophobicContact CB-CD1 4.17Å; R907-D951 IonicContact CZ-OD1 3.85Å; R907-D951 IonicContact NE-OD1 2.87Å; R907-D951 PolarHBondContact NE-OD1 3.42Å; R907-D951 IonicContact NH2-OD1 3.19Å; R907-D951 IonicContact NH2-OD2 3.87Å |
| 908 | N | 94.3 | Very high | 90.6 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.1 | -43.8 | 176.6 | -67.4 | -26 | 0 | 0 | 0 | 111.4 | D904 A905 D911 E912 | D904-N908 PolarHBondContact O-N 3.04Å; D904-N908 PolarHBondContact O-ND2 2.62Å; D904-N908 VanDerWaalsContact O-ND2 3.17Å; A905-N908 PolarHBondContact O-N 3.27Å; N908-D911 PolarHBondContact O-N 3.46Å; N908-E912 VanDerWaalsContact O-CB 3.3Å; N908-E912 WeakPolarHBondContact O-CB 3.49Å; N908-E912 PolarHBondContact O-N 3.12Å |
| 909 | E | 94.2 | Very high | 90.5 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.6 | -176.3 | 179.7 | 170.1 | 0 | 0 | 111.9 | R141 F835 A905 A906 K913 | R141-E909 IonicContact NH2-OE2 3.5Å; F835-E909 HydrophobicContact CD1-CG 4.2Å; A905-E909 WeakPolarHBondContact O-CB 3.4Å; A905-E909 PolarHBondContact O-N 3.29Å; A906-E909 PolarHBondContact O-N 3.03Å; E909-K913 HydrophobicContact CG-CD 4.05Å; E909-K913 WeakPolarHBondContact O-CB 3.46Å; E909-K913 WeakPolarHBondContact O-CG 3.24Å; E909-K913 PolarHBondContact O-N 2.98Å; E909-K913 IonicContact OE1-NZ 2.91Å; E909-K913 PolarHBondContact OE1-NZ 3.05Å |
| 910 | A | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F835 A906 R907 L914 V946 L950 | F835-A910 HydrophobicContact CB-CB 4.35Å; F835-A910 HydrophobicContact CD1-CB 3.94Å; F835-A910 HydrophobicContact CD2-CB 3.74Å; F835-A910 HydrophobicContact CE1-CB 4.05Å; F835-A910 HydrophobicContact CE2-CB 3.83Å; F835-A910 HydrophobicContact CG-CB 3.77Å; F835-A910 HydrophobicContact CZ-CB 3.96Å; A906-A910 WeakPolarHBondContact O-CB 3.29Å; A906-A910 PolarHBondContact O-N 3.25Å; R907-A910 PolarHBondContact O-N 3.4Å; A910-L914 WeakPolarHBondContact O-CB 3.37Å; A910-L914 WeakPolarHBondContact O-CG 3.27Å; A910-L914 PolarHBondContact O-N 3.37Å; A910-V946 HydrophobicContact CB-CG1 3.93Å; A910-L950 HydrophobicContact CB-CD1 4.13Å |
| 911 | D | 93.1 | Very high | 90 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 178.9 | -168.9 | 36.5 | 0 | 0 | 0 | 111.6 | R907 N908 S915 R943 M947 | R907-D911 WeakPolarHBondContact O-CB 3.33Å; R907-D911 PolarHBondContact O-N 2.83Å; N908-D911 PolarHBondContact O-N 3.46Å; D911-S915 WeakPolarHBondContact O-CB 3.21Å; D911-S915 PolarHBondContact O-N 2.96Å; D911-S915 PolarHBondContact O-OG 3.36Å; D911-S915 PolarHBondContact OD1-OG 3.15Å; D911-R943 IonicContact OD1-CZ 2.68Å; D911-R943 VanDerWaalsContact OD1-CZ 3.25Å; D911-R943 IonicContact OD1-NE 2.69Å; D911-R943 PolarHBondContact OD1-NE 3.07Å; D911-R943 IonicContact OD1-NH2 2.75Å; D911-R943 PolarHBondContact OD1-NH2 3.49Å; D911-M947 HydrophobicContact CB-CE 3.82Å; D911-M947 HydrophobicContact CB-SD 4.18Å |
| 912 | E | 91.8 | Very high | 89.7 | Confident | 143 Ų | 143 | 61 Ų | 61 | 67% | 0.668 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.3 | -52.9 | 177.9 | -176.8 | -178.8 | 175.1 | 0 | 0 | 111.5 | N908 A916 | N908-E912 VanDerWaalsContact O-CB 3.3Å; N908-E912 WeakPolarHBondContact O-CB 3.49Å; N908-E912 PolarHBondContact O-N 3.12Å; E912-A916 WeakPolarHBondContact O-CB 3.36Å; E912-A916 PolarHBondContact O-N 3.44Å |
| 913 | K | 89.8 | Confident | 89.1 | Confident | 111 Ų | 111 | 60.7 Ų | 60.7 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | -176.2 | -76.1 | 177.3 | 171.7 | 173.9 | 0 | 112.4 | F835 E909 A916 E917 | F835-K913 HydrophobicContact CE1-CB 4.28Å; F835-K913 HydrophobicContact CE1-CD 3.95Å; E909-K913 HydrophobicContact CG-CD 4.05Å; E909-K913 WeakPolarHBondContact O-CB 3.46Å; E909-K913 WeakPolarHBondContact O-CG 3.24Å; E909-K913 PolarHBondContact O-N 2.98Å; E909-K913 IonicContact OE1-NZ 2.91Å; E909-K913 PolarHBondContact OE1-NZ 3.05Å; K913-A916 PolarHBondContact O-N 3.27Å; K913-E917 WeakPolarHBondContact O-CB 3.32Å; K913-E917 PolarHBondContact O-N 3.49Å |
| 914 | L | 89.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.8 | -36.7 | -179 | -70.8 | 170.3 | 0 | 0 | 0 | 112 | F835 A910 E917 L918 R943 V946 | F835-L914 HydrophobicContact CE2-CD1 4.15Å; F835-L914 HydrophobicContact CZ-CD1 4.25Å; F835-L914 HydrophobicContact CZ-CG 4.16Å; A910-L914 WeakPolarHBondContact O-CB 3.37Å; A910-L914 WeakPolarHBondContact O-CG 3.27Å; A910-L914 PolarHBondContact O-N 3.37Å; L914-E917 PolarHBondContact O-N 2.77Å; L914-L918 WeakPolarHBondContact O-CB 3.02Å; L914-L918 PolarHBondContact O-N 2.85Å; L914-R943 HydrophobicContact CB-CB 4.09Å; L914-R943 HydrophobicContact CB-CG 3.99Å; L914-R943 HydrophobicContact CD1-CB 4.03Å; L914-R943 HydrophobicContact CD1-CG 4.21Å; L914-V946 HydrophobicContact CD1-CB 4.4Å; L914-V946 HydrophobicContact CD1-CG1 4.27Å |
| 915 | S | 90.7 | Very high | 88.1 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 175.2 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | D911 E917 L918 S919 R943 | D911-S915 WeakPolarHBondContact O-CB 3.21Å; D911-S915 PolarHBondContact O-N 2.96Å; D911-S915 PolarHBondContact O-OG 3.36Å; D911-S915 PolarHBondContact OD1-OG 3.15Å; S915-E917 VanDerWaalsContact C-N 3.33Å; S915-E917 PolarHBondContact O-N 3.38Å; S915-L918 PolarHBondContact O-N 2.67Å; S915-S919 WeakPolarHBondContact O-CB 3.29Å; S915-S919 PolarHBondContact O-N 2.87Å; S915-S919 PolarHBondContact O-OG 3.46Å; S915-R943 PolarHBondContact OG-NE 3.47Å; S915-R943 VanDerWaalsContact OG-NE 3.1Å |
| 916 | A | 85.7 | Confident | 87.2 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E912 K913 R920 | E912-A916 WeakPolarHBondContact O-CB 3.36Å; E912-A916 PolarHBondContact O-N 3.44Å; K913-A916 PolarHBondContact O-N 3.27Å; A916-R920 WeakPolarHBondContact O-CB 3.32Å; A916-R920 PolarHBondContact O-N 2.93Å |
| 917 | E | 86 | Confident | 86.1 | Confident | 74 Ų | 74 | 65 Ų | 65 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 175.1 | -176.2 | 170 | -163.9 | 0 | 0 | 111.8 | K913 L914 S915 R920 L921 I939 | K913-E917 WeakPolarHBondContact O-CB 3.32Å; K913-E917 PolarHBondContact O-N 3.49Å; L914-E917 PolarHBondContact O-N 2.77Å; S915-E917 VanDerWaalsContact C-N 3.33Å; S915-E917 PolarHBondContact O-N 3.38Å; E917-R920 PolarHBondContact O-N 2.95Å; E917-L921 HydrophobicContact CG-CD1 4.3Å; E917-L921 WeakPolarHBondContact O-CG 3.4Å; E917-L921 PolarHBondContact O-N 3.05Å; E917-I939 HydrophobicContact CG-CD1 4.43Å |
| 918 | L | 88 | Confident | 85.2 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -52.1 | 177.2 | -177.3 | 64 | 0 | 0 | 0 | 111.5 | L914 S915 R920 L921 E922 L936 I939 E940 | L914-L918 WeakPolarHBondContact O-CB 3.02Å; L914-L918 PolarHBondContact O-N 2.85Å; S915-L918 PolarHBondContact O-N 2.67Å; L918-R920 VanDerWaalsContact C-N 3.29Å; L918-R920 PolarHBondContact O-N 3.43Å; L918-L921 PolarHBondContact O-N 2.8Å; L918-L921 VanDerWaalsContact O-N 3.07Å; L918-E922 HydrophobicContact CD1-CG 4.47Å; L918-E922 WeakPolarHBondContact O-CG 3.42Å; L918-E922 PolarHBondContact O-N 3.18Å; L918-L936 HydrophobicContact CD1-CD2 3.85Å; L918-I939 HydrophobicContact CB-CG2 4.16Å; L918-I939 HydrophobicContact CD1-CG2 4.21Å; L918-E940 HydrophobicContact CD2-CB 4.47Å |
| 919 | S | 85.2 | Confident | 84.2 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 178.5 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | S915 A923 | S915-S919 WeakPolarHBondContact O-CB 3.29Å; S915-S919 PolarHBondContact O-N 2.87Å; S915-S919 PolarHBondContact O-OG 3.46Å; S919-A923 VanDerWaalsContact O-CB 3.31Å; S919-A923 WeakPolarHBondContact O-CB 3.17Å; S919-A923 PolarHBondContact O-N 3.42Å |
| 920 | R | 82.5 | Confident | 83.4 | Confident | 150 Ų | 150 | 57.4 Ų | 57.4 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 173.4 | -179 | -176.8 | 175.2 | -173.2 | -1.1 | 110.8 | A916 E917 L918 A923 L924 | A916-R920 WeakPolarHBondContact O-CB 3.32Å; A916-R920 PolarHBondContact O-N 2.93Å; E917-R920 PolarHBondContact O-N 2.95Å; L918-R920 VanDerWaalsContact C-N 3.29Å; L918-R920 PolarHBondContact O-N 3.43Å; R920-A923 PolarHBondContact O-N 3.39Å; R920-L924 HydrophobicContact CG-CD1 3.88Å; R920-L924 HydrophobicContact CG-CG 4.31Å; R920-L924 WeakPolarHBondContact O-CB 3.44Å; R920-L924 WeakPolarHBondContact O-CG 3.39Å; R920-L924 PolarHBondContact O-N 2.94Å |
| 921 | L | 82.8 | Confident | 82.8 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 179.7 | -70.4 | 175.6 | 0 | 0 | 0 | 113 | E917 L918 L924 R925 I931 L936 I939 | E917-L921 HydrophobicContact CG-CD1 4.3Å; E917-L921 WeakPolarHBondContact O-CG 3.4Å; E917-L921 PolarHBondContact O-N 3.05Å; L918-L921 PolarHBondContact O-N 2.8Å; L918-L921 VanDerWaalsContact O-N 3.07Å; L921-L924 HydrophobicContact CD2-CD1 4.43Å; L921-L924 PolarHBondContact O-N 3.12Å; L921-R925 VanDerWaalsContact O-CB 3.31Å; L921-R925 WeakPolarHBondContact O-CB 3.5Å; L921-R925 PolarHBondContact O-N 3.34Å; L921-I931 HydrophobicContact CD2-CD1 4.19Å; L921-I931 WeakPolarHBondContact O-CD1 3.39Å; L921-L936 HydrophobicContact CB-CD2 3.57Å; L921-I939 HydrophobicContact CD1-CD1 3.08Å |
| 922 | E | 85.5 | Confident | 82.4 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 172.7 | -71.7 | 176.6 | 151.3 | 0 | 0 | 111.4 | L918 R925 A926 L936 | L918-E922 HydrophobicContact CD1-CG 4.47Å; L918-E922 WeakPolarHBondContact O-CG 3.42Å; L918-E922 PolarHBondContact O-N 3.18Å; E922-R925 PolarHBondContact O-N 2.66Å; E922-A926 PolarHBondContact O-N 3.39Å; E922-L936 HydrophobicContact CG-CD2 4.03Å |
| 923 | A | 78.6 | Confident | 82 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S919 R920 R925 A926 | S919-A923 VanDerWaalsContact O-CB 3.31Å; S919-A923 WeakPolarHBondContact O-CB 3.17Å; S919-A923 PolarHBondContact O-N 3.42Å; R920-A923 PolarHBondContact O-N 3.39Å; A923-R925 VanDerWaalsContact C-N 3.28Å; A923-R925 PolarHBondContact O-N 3.06Å; A923-A926 WeakPolarHBondContact O-CB 3.44Å; A923-A926 PolarHBondContact O-N 2.97Å |
| 924 | L | 77.6 | Confident | 81.8 | Confident | 18 Ų | 18 | 53.3 Ų | 53.3 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -31.6 | 175.6 | -71.7 | 171.2 | 0 | 0 | 0 | 111.6 | D409 R920 L921 A926 V927 N928 I931 | D409-L924 HydrophobicContact CB-CD2 3.42Å; D409-L924 VanDerWaalsContact CB-CD2 3.42Å; R920-L924 HydrophobicContact CG-CD1 3.88Å; R920-L924 HydrophobicContact CG-CG 4.31Å; R920-L924 WeakPolarHBondContact O-CB 3.44Å; R920-L924 WeakPolarHBondContact O-CG 3.39Å; R920-L924 PolarHBondContact O-N 2.94Å; L921-L924 HydrophobicContact CD2-CD1 4.43Å; L921-L924 PolarHBondContact O-N 3.12Å; L924-A926 VanDerWaalsContact C-N 3.28Å; L924-A926 PolarHBondContact O-N 3.35Å; L924-V927 VanDerWaalsContact O-CG2 3.25Å; L924-V927 WeakPolarHBondContact O-CG2 3.41Å; L924-V927 PolarHBondContact O-N 3.17Å; L924-N928 WeakPolarHBondContact O-CA 3.46Å; L924-N928 WeakPolarHBondContact O-CB 3.11Å; L924-N928 PolarHBondContact O-N 3.28Å; L924-I931 HydrophobicContact CB-CD1 3.33Å |
| 925 | R | 82.7 | Confident | 81.7 | Confident | 118 Ų | 118 | 54 Ų | 54 | 45% | 0.445 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -31.6 | 179.3 | 177.5 | 175.4 | 174.4 | -152.9 | 4.7 | 111.7 | L921 E922 A923 V927 I931 D933 | L921-R925 VanDerWaalsContact O-CB 3.31Å; L921-R925 WeakPolarHBondContact O-CB 3.5Å; L921-R925 PolarHBondContact O-N 3.34Å; E922-R925 PolarHBondContact O-N 2.66Å; A923-R925 VanDerWaalsContact C-N 3.28Å; A923-R925 PolarHBondContact O-N 3.06Å; R925-V927 PolarHBondContact O-N 3.28Å; R925-I931 HydrophobicContact CB-CB 4.09Å; R925-I931 HydrophobicContact CB-CD1 4.21Å; R925-I931 HydrophobicContact CB-CG2 4.24Å; R925-I931 HydrophobicContact CG-CB 4.4Å; R925-D933 IonicContact CZ-OD1 2.63Å; R925-D933 IonicContact NE-OD1 3.53Å; R925-D933 IonicContact NH1-OD1 3.07Å; R925-D933 IonicContact NH2-OD1 3.83Å; R925-D933 PolarHBondContact NH2-OD1 3.43Å; R925-D933 IonicContact NH2-OD2 3.63Å |
| 926 | A | 76.1 | Confident | 81.5 | Confident | 75 Ų | 75 | 53 Ų | 53 | 62% | 0.62 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60 | -30.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E922 A923 L924 | E922-A926 PolarHBondContact O-N 3.39Å; A923-A926 WeakPolarHBondContact O-CB 3.44Å; A923-A926 PolarHBondContact O-N 2.97Å; L924-A926 VanDerWaalsContact C-N 3.28Å; L924-A926 PolarHBondContact O-N 3.35Å |
| 927 | V | 69.8 | Low | 81.7 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -111 | -23.2 | -176.3 | -65.1 | 0 | 0 | 0 | 0 | 114.8 | E379 R410 L924 R925 | E379-V927 WeakPolarHBondContact OE2-CG1 3.45Å; R410-V927 HydrophobicContact CG-CB 3.93Å; R410-V927 HydrophobicContact CG-CG1 4.3Å; R410-V927 HydrophobicContact CG-CG2 4.08Å; L924-V927 VanDerWaalsContact O-CG2 3.25Å; L924-V927 WeakPolarHBondContact O-CG2 3.41Å; L924-V927 PolarHBondContact O-N 3.17Å; R925-V927 PolarHBondContact O-N 3.28Å |
| 928 | N | 72.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -122 | 104.6 | -174.5 | -167.3 | -32.2 | 0 | 0 | 0 | 110 | D409 L924 N930 I931 | D409-N928 WeakPolarHBondContact O-CB 3.25Å; D409-N928 PolarHBondContact O-ND2 2.89Å; L924-N928 WeakPolarHBondContact O-CA 3.46Å; L924-N928 WeakPolarHBondContact O-CB 3.11Å; L924-N928 PolarHBondContact O-N 3.28Å; N928-N930 PolarHBondContact O-N 3.26Å; N928-N930 VanDerWaalsContact O-N 3.12Å; N928-N930 VanDerWaalsContact OD1-CB 3.27Å; N928-N930 WeakPolarHBondContact OD1-CB 3.36Å; N928-N930 PolarHBondContact OD1-N 2.87Å; N928-I931 PolarHBondContact O-N 3.28Å | ||
| 929 | P | 73.7 | Confident | 81.8 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -3.8 | -177.7 | 29.9 | -37.6 | 0 | 0 | 0 | 114.4 | R335 I931 | R335-P929 VanDerWaalsContact NE-CG 3.27Å; P929-I931 VanDerWaalsContact C-N 3.25Å; P929-I931 PolarHBondContact O-N 3.32Å |
| 930 | N | 75.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.1 | 178.5 | -58.1 | -5.1 | 0 | 0 | 0 | 113.4 | R335 G412 V416 N928 R932 | R335-N930 WeakPolarHBondContact CG-OD1 3.02Å; R335-N930 PolarHBondContact NE-OD1 3.13Å; G412-N930 PolarHBondContact O-ND2 3.48Å; V416-N930 HydrophobicContact CG2-CB 4.1Å; V416-N930 WeakPolarHBondContact CG2-ND2 3.46Å; N928-N930 PolarHBondContact O-N 3.26Å; N928-N930 VanDerWaalsContact O-N 3.12Å; N928-N930 VanDerWaalsContact OD1-CB 3.27Å; N928-N930 WeakPolarHBondContact OD1-CB 3.36Å; N928-N930 PolarHBondContact OD1-N 2.87Å; N930-R932 PolarHBondContact O-N 2.91Å |
| 931 | I | 80 | Confident | 82.4 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | trans | -82 | 116.5 | 176.7 | -58 | -170.4 | 0 | 0 | 0 | 108.4 | L921 L924 R925 N928 P929 L936 | L921-I931 HydrophobicContact CD2-CD1 4.19Å; L921-I931 WeakPolarHBondContact O-CD1 3.39Å; L924-I931 HydrophobicContact CB-CD1 3.33Å; R925-I931 HydrophobicContact CB-CB 4.09Å; R925-I931 HydrophobicContact CB-CD1 4.21Å; R925-I931 HydrophobicContact CB-CG2 4.24Å; R925-I931 HydrophobicContact CG-CB 4.4Å; N928-I931 PolarHBondContact O-N 3.28Å; P929-I931 VanDerWaalsContact C-N 3.25Å; P929-I931 PolarHBondContact O-N 3.32Å; I931-L936 HydrophobicContact CG2-CD1 4.33Å; I931-L936 HydrophobicContact CG2-CG 4.19Å | ||
| 932 | R | 84.6 | Confident | 82.6 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | trans | -78.9 | 147.6 | -175.5 | -56.2 | 157.7 | 48.8 | 172.2 | 10.8 | 111.1 | A170 P307 N930 D934 E935 L936 | A170-R932 PolarHBondContact O-NH1 3.33Å; P307-R932 PolarHBondContact O-NH1 3.44Å; N930-R932 PolarHBondContact O-N 2.91Å; R932-D934 VanDerWaalsContact C-N 3.29Å; R932-D934 WeakPolarHBondContact CB-OD1 3.45Å; R932-D934 IonicContact CZ-OD1 2.97Å; R932-D934 IonicContact CZ-OD2 2.7Å; R932-D934 VanDerWaalsContact CZ-OD2 3.29Å; R932-D934 IonicContact NE-OD1 2.69Å; R932-D934 PolarHBondContact NE-OD1 3.2Å; R932-D934 IonicContact NE-OD2 2.74Å; R932-D934 IonicContact NH2-OD1 3.58Å; R932-D934 PolarHBondContact NH2-OD1 3.47Å; R932-D934 IonicContact NH2-OD2 2.74Å; R932-D934 PolarHBondContact NH2-OD2 3.39Å; R932-D934 PolarHBondContact O-N 3.33Å; R932-E935 HydrophobicContact CB-CB 4.36Å; R932-E935 PolarHBondContact O-N 3.11Å; R932-L936 PolarHBondContact O-N 3.13Å | ||
| 933 | D | 84.3 | Confident | 82.8 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 178.4 | -71.7 | -15.9 | 0 | 0 | 0 | 112.5 | R925 T937 | R925-D933 IonicContact CZ-OD1 2.63Å; R925-D933 IonicContact NE-OD1 3.53Å; R925-D933 IonicContact NH1-OD1 3.07Å; R925-D933 IonicContact NH2-OD1 3.83Å; R925-D933 PolarHBondContact NH2-OD1 3.43Å; R925-D933 IonicContact NH2-OD2 3.63Å; D933-T937 WeakPolarHBondContact O-CB 3.13Å; D933-T937 PolarHBondContact O-N 3.44Å; D933-T937 PolarHBondContact O-OG1 2.73Å |
| 934 | D | 86.3 | Confident | 83.4 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.5 | -30.9 | 178.9 | 68 | -46.3 | 0 | 0 | 0 | 112.3 | R932 T937 A938 | R932-D934 VanDerWaalsContact C-N 3.29Å; R932-D934 WeakPolarHBondContact CB-OD1 3.45Å; R932-D934 IonicContact CZ-OD1 2.97Å; R932-D934 IonicContact CZ-OD2 2.7Å; R932-D934 VanDerWaalsContact CZ-OD2 3.29Å; R932-D934 IonicContact NE-OD1 2.69Å; R932-D934 PolarHBondContact NE-OD1 3.2Å; R932-D934 IonicContact NE-OD2 2.74Å; R932-D934 IonicContact NH2-OD1 3.58Å; R932-D934 PolarHBondContact NH2-OD1 3.47Å; R932-D934 IonicContact NH2-OD2 2.74Å; R932-D934 PolarHBondContact NH2-OD2 3.39Å; R932-D934 PolarHBondContact O-N 3.33Å; D934-T937 PolarHBondContact O-N 3.27Å; D934-A938 WeakPolarHBondContact O-CB 3.3Å; D934-A938 PolarHBondContact O-N 2.84Å |
| 935 | E | 86.4 | Confident | 83.6 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.065 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 172.6 | -174.1 | 176.1 | -164 | 0 | 0 | 111.4 | R415 R932 A938 I939 | R415-E935 IonicContact CZ-OE1 3.44Å; R415-E935 IonicContact CZ-OE2 2.67Å; R415-E935 IonicContact NH2-OE1 2.66Å; R415-E935 PolarHBondContact NH2-OE1 2.82Å; R415-E935 IonicContact NH2-OE2 3.7Å; R415-E935 PolarHBondContact NH2-OE2 3.38Å; R932-E935 HydrophobicContact CB-CB 4.36Å; R932-E935 PolarHBondContact O-N 3.11Å; E935-A938 PolarHBondContact O-N 3.36Å; E935-I939 HydrophobicContact CG-CD1 4.28Å; E935-I939 WeakPolarHBondContact O-CG1 3.18Å; E935-I939 PolarHBondContact O-N 3Å; E935-I939 VanDerWaalsContact O-N 3.08Å |
| 936 | L | 87.5 | Confident | 83.7 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.2 | -78.4 | 173.1 | 0 | 0 | 0 | 111.8 | L918 L921 E922 I931 R932 A938 I939 E940 | L918-L936 HydrophobicContact CD1-CD2 3.85Å; L921-L936 HydrophobicContact CB-CD2 3.57Å; E922-L936 HydrophobicContact CG-CD2 4.03Å; I931-L936 HydrophobicContact CG2-CD1 4.33Å; I931-L936 HydrophobicContact CG2-CG 4.19Å; R932-L936 PolarHBondContact O-N 3.13Å; L936-A938 VanDerWaalsContact C-N 3.29Å; L936-A938 PolarHBondContact O-N 3.11Å; L936-I939 PolarHBondContact O-N 2.88Å; L936-E940 PolarHBondContact O-N 3.2Å |
| 937 | T | 89.8 | Confident | 84.3 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | D933 D934 S941 | D933-T937 WeakPolarHBondContact O-CB 3.13Å; D933-T937 PolarHBondContact O-N 3.44Å; D933-T937 PolarHBondContact O-OG1 2.73Å; D934-T937 PolarHBondContact O-N 3.27Å; T937-S941 WeakPolarHBondContact O-CB 3.41Å; T937-S941 PolarHBondContact O-N 2.84Å |
| 938 | A | 87.5 | Confident | 84.6 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D934 E935 L936 S941 N942 | D934-A938 WeakPolarHBondContact O-CB 3.3Å; D934-A938 PolarHBondContact O-N 2.84Å; E935-A938 PolarHBondContact O-N 3.36Å; L936-A938 VanDerWaalsContact C-N 3.29Å; L936-A938 PolarHBondContact O-N 3.11Å; A938-S941 PolarHBondContact O-N 2.86Å; A938-N942 WeakPolarHBondContact O-CB 3.17Å; A938-N942 PolarHBondContact O-N 2.79Å |
| 939 | I | 87.9 | Confident | 84.8 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 178.7 | -69.6 | 167.5 | 0 | 0 | 0 | 111.3 | E917 L918 L921 E935 L936 N942 R943 | E917-I939 HydrophobicContact CG-CD1 4.43Å; L918-I939 HydrophobicContact CB-CG2 4.16Å; L918-I939 HydrophobicContact CD1-CG2 4.21Å; L921-I939 HydrophobicContact CD1-CD1 3.08Å; E935-I939 HydrophobicContact CG-CD1 4.28Å; E935-I939 WeakPolarHBondContact O-CG1 3.18Å; E935-I939 PolarHBondContact O-N 3Å; E935-I939 VanDerWaalsContact O-N 3.08Å; L936-I939 PolarHBondContact O-N 2.88Å; I939-N942 PolarHBondContact O-N 3.42Å; I939-R943 WeakPolarHBondContact O-CB 3.37Å; I939-R943 PolarHBondContact O-N 2.66Å |
| 940 | E | 91.1 | Very high | 85.1 | Confident | 115 Ų | 115 | 46.5 Ų | 46.5 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 174.7 | -173.9 | 178.4 | -163.8 | 0 | 0 | 111.2 | L918 L936 R943 Q944 | L918-E940 HydrophobicContact CD2-CB 4.47Å; L936-E940 PolarHBondContact O-N 3.2Å; E940-R943 PolarHBondContact O-N 2.98Å; E940-Q944 PolarHBondContact O-N 3.5Å |
| 941 | S | 89.5 | Confident | 85 | Confident | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | T937 A938 Q944 Q945 | T937-S941 WeakPolarHBondContact O-CB 3.41Å; T937-S941 PolarHBondContact O-N 2.84Å; A938-S941 PolarHBondContact O-N 2.86Å; S941-Q944 PolarHBondContact O-N 3Å; S941-Q945 WeakPolarHBondContact O-CG 3.36Å; S941-Q945 PolarHBondContact O-N 3.08Å; S941-Q945 PolarHBondContact OG-NE2 2.93Å |
| 942 | N | 87.5 | Confident | 84.4 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.7 | -174.2 | -0.1 | 0 | 0 | 0 | 110.4 | L830 A938 I939 Q944 Q945 V946 | L830-N942 WeakPolarHBondContact CD2-OD1 3.45Å; L830-N942 PolarHBondContact O-OD1 3.14Å; A938-N942 WeakPolarHBondContact O-CB 3.17Å; A938-N942 PolarHBondContact O-N 2.79Å; I939-N942 PolarHBondContact O-N 3.42Å; N942-Q944 VanDerWaalsContact C-N 3.34Å; N942-Q944 PolarHBondContact O-N 3.42Å; N942-Q945 PolarHBondContact O-N 2.79Å; N942-V946 WeakPolarHBondContact O-CB 3.43Å; N942-V946 VanDerWaalsContact O-CG2 3.3Å; N942-V946 WeakPolarHBondContact O-CG2 3.37Å; N942-V946 PolarHBondContact O-N 3.13Å; N942-V946 VanDerWaalsContact OD1-CG2 3.24Å; N942-V946 WeakPolarHBondContact OD1-CG2 3.19Å |
| 943 | R | 90.2 | Very high | 83.6 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.7 | -47.8 | 174.9 | -178.4 | 179 | 163.1 | -85 | -2.2 | 111.8 | D911 L914 S915 I939 E940 M947 | D911-R943 IonicContact OD1-CZ 2.68Å; D911-R943 VanDerWaalsContact OD1-CZ 3.25Å; D911-R943 IonicContact OD1-NE 2.69Å; D911-R943 PolarHBondContact OD1-NE 3.07Å; D911-R943 IonicContact OD1-NH2 2.75Å; D911-R943 PolarHBondContact OD1-NH2 3.49Å; L914-R943 HydrophobicContact CB-CB 4.09Å; L914-R943 HydrophobicContact CB-CG 3.99Å; L914-R943 HydrophobicContact CD1-CB 4.03Å; L914-R943 HydrophobicContact CD1-CG 4.21Å; S915-R943 PolarHBondContact OG-NE 3.47Å; S915-R943 VanDerWaalsContact OG-NE 3.1Å; I939-R943 WeakPolarHBondContact O-CB 3.37Å; I939-R943 PolarHBondContact O-N 2.66Å; E940-R943 PolarHBondContact O-N 2.98Å; R943-M947 WeakPolarHBondContact O-CG 3.46Å; R943-M947 PolarHBondContact O-N 3.44Å; R943-M947 VanDerWaalsContact O-N 3.11Å |
| 944 | Q | 89.2 | Confident | 82.5 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 178.3 | -173.9 | -179.2 | -14.1 | 0 | 0 | 111.8 | E940 S941 N942 V946 M947 E948 | E940-Q944 PolarHBondContact O-N 3.5Å; S941-Q944 PolarHBondContact O-N 3Å; N942-Q944 VanDerWaalsContact C-N 3.34Å; N942-Q944 PolarHBondContact O-N 3.42Å; Q944-V946 PolarHBondContact O-N 3.47Å; Q944-M947 PolarHBondContact O-N 3.32Å; Q944-E948 WeakPolarHBondContact CG-OE1 3.46Å; Q944-E948 PolarHBondContact NE2-OE1 2.74Å; Q944-E948 WeakPolarHBondContact O-CG 3.5Å; Q944-E948 PolarHBondContact O-N 3.17Å |
| 945 | Q | 83.1 | Confident | 80.9 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | -177.5 | -69.2 | -179.1 | 59.2 | 0 | 0 | 113.1 | L830 S941 N942 E948 S949 | L830-Q945 HydrophobicContact CD1-CB 3.72Å; L830-Q945 HydrophobicContact CD2-CB 3.81Å; L830-Q945 HydrophobicContact CG-CB 4.46Å; S941-Q945 WeakPolarHBondContact O-CG 3.36Å; S941-Q945 PolarHBondContact O-N 3.08Å; S941-Q945 PolarHBondContact OG-NE2 2.93Å; N942-Q945 PolarHBondContact O-N 2.79Å; Q945-E948 PolarHBondContact O-N 3.31Å; Q945-S949 WeakPolarHBondContact O-CB 3.39Å; Q945-S949 PolarHBondContact O-N 3.33Å; Q945-S949 PolarHBondContact O-OG 3.35Å |
| 946 | V | 84.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 173.4 | 161 | 0 | 0 | 0 | 0 | 110.6 | L830 L832 F835 A910 L914 N942 Q944 S949 L950 | L830-V946 HydrophobicContact CB-CG2 4.04Å; L832-V946 HydrophobicContact CD1-CB 4.45Å; L832-V946 HydrophobicContact CD1-CG1 3.77Å; L832-V946 HydrophobicContact CD1-CG2 4.41Å; F835-V946 HydrophobicContact CD2-CG1 4.32Å; F835-V946 HydrophobicContact CE2-CG1 4.38Å; A910-V946 HydrophobicContact CB-CG1 3.93Å; L914-V946 HydrophobicContact CD1-CB 4.4Å; L914-V946 HydrophobicContact CD1-CG1 4.27Å; N942-V946 WeakPolarHBondContact O-CB 3.43Å; N942-V946 VanDerWaalsContact O-CG2 3.3Å; N942-V946 WeakPolarHBondContact O-CG2 3.37Å; N942-V946 PolarHBondContact O-N 3.13Å; N942-V946 VanDerWaalsContact OD1-CG2 3.24Å; N942-V946 WeakPolarHBondContact OD1-CG2 3.19Å; Q944-V946 PolarHBondContact O-N 3.47Å; V946-S949 PolarHBondContact O-N 2.88Å; V946-L950 HydrophobicContact CG1-CD1 4.01Å; V946-L950 WeakPolarHBondContact O-CG 3.26Å; V946-L950 PolarHBondContact O-N 3.07Å |
| 947 | M | 88.3 | Confident | 76.6 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 179.1 | -64.9 | -64.6 | -86.8 | 0 | 0 | 111.4 | R907 D911 R943 Q944 S949 L950 D951 | R907-M947 HydrophobicContact CG-CE 3.61Å; R907-M947 HydrophobicContact CG-SD 3.83Å; D911-M947 HydrophobicContact CB-CE 3.82Å; D911-M947 HydrophobicContact CB-SD 4.18Å; R943-M947 WeakPolarHBondContact O-CG 3.46Å; R943-M947 PolarHBondContact O-N 3.44Å; R943-M947 VanDerWaalsContact O-N 3.11Å; Q944-M947 PolarHBondContact O-N 3.32Å; M947-S949 VanDerWaalsContact C-N 3.33Å; M947-S949 PolarHBondContact O-N 2.95Å; M947-L950 PolarHBondContact O-N 2.88Å; M947-D951 VanDerWaalsContact O-CG 3.31Å; M947-D951 PolarHBondContact O-N 3.41Å |
| 948 | E | 77.5 | Confident | 73.6 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 46% | 0.463 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 174.9 | -72.5 | 175.5 | -167.8 | 0 | 0 | 112 | Q944 Q945 D951 Q952 | Q944-E948 WeakPolarHBondContact CG-OE1 3.46Å; Q944-E948 PolarHBondContact NE2-OE1 2.74Å; Q944-E948 WeakPolarHBondContact O-CG 3.5Å; Q944-E948 PolarHBondContact O-N 3.17Å; Q945-E948 PolarHBondContact O-N 3.31Å; E948-D951 PolarHBondContact O-N 3.38Å; E948-Q952 WeakPolarHBondContact O-CG 3.23Å; E948-Q952 PolarHBondContact O-N 3.37Å |
| 949 | S | 76.1 | Confident | 70.9 | Confident | 15 Ų | 15 | 70 Ų | 70 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | Q945 V946 M947 Q952 A953 | Q945-S949 WeakPolarHBondContact O-CB 3.39Å; Q945-S949 PolarHBondContact O-N 3.33Å; Q945-S949 PolarHBondContact O-OG 3.35Å; V946-S949 PolarHBondContact O-N 2.88Å; M947-S949 VanDerWaalsContact C-N 3.33Å; M947-S949 PolarHBondContact O-N 2.95Å; S949-Q952 CarbonylContact O-C 3.6Å; S949-Q952 PolarHBondContact O-N 3.5Å; S949-A953 PolarHBondContact O-N 2.61Å |
| 950 | L | 80.5 | Confident | 68.3 | Low | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 175.5 | -75.1 | 171.8 | 0 | 0 | 0 | 112.3 | L832 L836 I903 A906 R907 A910 V946 M947 Q952 A953 | L832-L950 HydrophobicContact CD1-CD1 4.13Å; L832-L950 HydrophobicContact CD1-CD2 3.82Å; L832-L950 HydrophobicContact CD1-CG 3.72Å; L832-L950 HydrophobicContact CD2-CD2 4.48Å; L836-L950 HydrophobicContact CB-CD2 3.88Å; L836-L950 HydrophobicContact CD2-CD2 3.68Å; L836-L950 HydrophobicContact CG-CD2 4.45Å; I903-L950 WeakPolarHBondContact CG2-O 3.46Å; A906-L950 HydrophobicContact CB-CD2 4.22Å; R907-L950 HydrophobicContact CB-CD1 4.17Å; A910-L950 HydrophobicContact CB-CD1 4.13Å; V946-L950 HydrophobicContact CG1-CD1 4.01Å; V946-L950 WeakPolarHBondContact O-CG 3.26Å; V946-L950 PolarHBondContact O-N 3.07Å; M947-L950 PolarHBondContact O-N 2.88Å; L950-Q952 PolarHBondContact O-N 3.17Å; L950-A953 WeakPolarHBondContact O-CB 3.26Å; L950-A953 PolarHBondContact O-N 3.43Å |
| 951 | D | 74.1 | Confident | 65.9 | Low | 102 Ų | 102 | 70.8 Ų | 70.8 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.8 | -22.7 | 175.3 | -71.8 | -13.2 | 0 | 0 | 0 | 111.8 | R907 M947 E948 | R907-D951 IonicContact CZ-OD1 3.85Å; R907-D951 IonicContact NE-OD1 2.87Å; R907-D951 PolarHBondContact NE-OD1 3.42Å; R907-D951 IonicContact NH2-OD1 3.19Å; R907-D951 IonicContact NH2-OD2 3.87Å; M947-D951 VanDerWaalsContact O-CG 3.31Å; M947-D951 PolarHBondContact O-N 3.41Å; E948-D951 PolarHBondContact O-N 3.38Å |
| 952 | Q | 67.4 | Low | 63.8 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.603 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.5 | 173.8 | -64.9 | -179.7 | 10.4 | 0 | 0 | 114 | E948 S949 L950 V954 | E948-Q952 WeakPolarHBondContact O-CG 3.23Å; E948-Q952 PolarHBondContact O-N 3.37Å; S949-Q952 CarbonylContact O-C 3.6Å; S949-Q952 PolarHBondContact O-N 3.5Å; L950-Q952 PolarHBondContact O-N 3.17Å; Q952-V954 PolarHBondContact O-N 2.73Å |
| 953 | A | 66.5 | Low | 62.4 | Low | 13 Ų | 13 | 82.8 Ų | 82.8 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | trans | -61.9 | 135.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | A824 L836 I903 S949 L950 | A824-A953 HydrophobicContact CB-CB 3.63Å; L836-A953 HydrophobicContact CD2-CB 4.05Å; I903-A953 HydrophobicContact CD1-CB 3.68Å; I903-A953 HydrophobicContact CG1-CB 3.78Å; I903-A953 HydrophobicContact CG2-CB 4.25Å; S949-A953 PolarHBondContact O-N 2.61Å; L950-A953 WeakPolarHBondContact O-CB 3.26Å; L950-A953 PolarHBondContact O-N 3.43Å | ||
| 954 | V | 61.5 | Low | 61.8 | Low | 70 Ų | 70 | 80.4 Ų | 80.4 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.7 | -177.9 | -70.6 | 0 | 0 | 0 | 0 | 110 | E823 Q952 E956 | E823-V954 PolarHBondContact O-N 3.06Å; Q952-V954 PolarHBondContact O-N 2.73Å; V954-E956 PolarHBondContact O-N 3.13Å |
| 955 | T | 52.4 | Low | 61.5 | Low | 35 Ų | 35 | 81.6 Ų | 81.6 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 120.2 | 155.9 | 45.6 | 0 | 0 | 0 | 0 | 106.7 | V822 I895 A899 | V822-T955 HydrophobicContact CG2-CG2 3.9Å; I895-T955 HydrophobicContact CG1-CG2 3.82Å; A899-T955 HydrophobicContact CB-CG2 3.11Å |
| 956 | E | 48.2 | Very low | 61.7 | Low | 111 Ų | 111 | 78.2 Ų | 78.2 | 52% | 0.519 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -55.4 | 147.2 | 171.8 | -102.8 | -156.6 | 145.3 | 0 | 0 | 111.1 | V954 | V954-E956 PolarHBondContact O-N 3.13Š|
| 957 | P | 35.3 | Very low | 61.7 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | cis | -122.1 | 97.6 | -3.7 | 33.9 | -15 | 0 | 0 | 0 | 111.2 | ||||
| 958 | K | 27.9 | Very low | 61.7 | Low | 176 Ų | 176 | 83 Ų | 83 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | trans | -94.2 | 98.9 | 142 | -78.9 | -174 | -179.6 | 175.8 | 0 | 106.6 | G960 | K958-G960 PolarHBondContact O-N 3Š| ||
| 959 | M | 29.9 | Very low | 61.7 | Low | 159 Ų | 159 | 86.9 Ų | 86.9 | 78% | 0.783 | 46% | 0.456 | S | S | * | . | trans | -63 | 77.7 | 153.6 | -87.7 | -173.9 | 171.9 | 0 | 0 | 106.8 | M961 | M959-M961 PolarHBondContact O-N 2.74Å; M959-M961 VanDerWaalsContact O-N 3.15Å | ||
| 960 | G | 34.6 | Very low | 62.1 | Low | 63 Ų | 63 | 90.3 Ų | 90.3 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | trans | -73.6 | 101.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | K958 E962 | K958-G960 PolarHBondContact O-N 3Å; G960-E962 PolarHBondContact O-N 3.39Å | ||
| 961 | M | 40.7 | Very low | 62.4 | Low | 81 Ų | 81 | 95.5 Ų | 95.5 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | trans | -55.6 | 120.6 | 143.6 | -78.4 | -176.6 | 170.7 | 0 | 0 | 105.2 | M959 N963 L991 M1023 | M959-M961 PolarHBondContact O-N 2.74Å; M959-M961 VanDerWaalsContact O-N 3.15Å; M961-N963 PolarHBondContact O-N 3.48Å; M961-L991 HydrophobicContact CE-CD2 4.2Å; M961-M1023 HydrophobicContact SD-SD 4.15Å | ||
| 962 | E | 45.1 | Very low | 63.1 | Low | 168 Ų | 168 | 92.5 Ų | 92.5 | 79% | 0.785 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -47.4 | 130.7 | 168 | -71.9 | -176.5 | 152.4 | 0 | 0 | 108.6 | G960 Y964 | G960-E962 PolarHBondContact O-N 3.39Å; E962-Y964 PolarHBondContact O-N 2.93Å |
| 963 | N | 57 | Low | 64.4 | Low | 161 Ų | 161 | 88.8 Ų | 88.8 | 86% | 0.861 | 47% | 0.467 | S | S | * | . | trans | 2.3 | 87.8 | 175.6 | -83.5 | -25.1 | 0 | 0 | 0 | 114.4 | M961 N965 | M961-N963 PolarHBondContact O-N 3.48Å; N963-N965 PolarHBondContact O-N 2.97Å | ||
| 964 | Y | 79.2 | Confident | 65.8 | Low | 26 Ų | 26 | 91.9 Ų | 91.9 | 10% | 0.102 | 48% | 0.482 | C | S | . | . | trans | -68 | 94 | 178.4 | -178.6 | -110.7 | 0 | 0 | 0 | 110.5 | E962 P966 G989 L991 E999 H1000 D1002 M1023 | E962-Y964 PolarHBondContact O-N 2.93Å; Y964-P966 HydrophobicContact CD1-CG 4.32Å; Y964-P966 HydrophobicContact CE1-CB 4.25Å; Y964-P966 HydrophobicContact CE1-CG 3.77Å; Y964-P966 HydrophobicContact CE2-CB 4.3Å; Y964-P966 VanDerWaalsContact O-CD 3.31Å; Y964-P966 WeakPolarHBondContact O-CD 3.48Å; Y964-G989 VanDerWaalsContact CE2-O 3.25Å; Y964-G989 WeakPolarHBondContact CE2-O 3.35Å; Y964-L991 HydrophobicContact CE1-CD1 4.02Å; Y964-L991 HydrophobicContact CE2-CB 4.48Å; Y964-L991 HydrophobicContact CE2-CD1 3.91Å; Y964-L991 HydrophobicContact CE2-CG 3.65Å; Y964-L991 WeakPolarHBondContact OH-CB 3.48Å; Y964-L991 WeakPolarHBondContact OH-CG 3.19Å; Y964-L991 PolarHBondContact OH-N 3.27Å; Y964-E999 WeakPolarHBondContact CD1-O 3.39Å; Y964-H1000 VanDerWaalsContact CB-CD2 3.42Å; Y964-H1000 WeakPolarHBondContact CB-CD2 3.32Å; Y964-H1000 AromaticContact CD1-CD2 3.68Å; Y964-H1000 AromaticContact CG-CD2 3.62Å; Y964-D1002 VanDerWaalsContact CE1-O 3.3Å; Y964-D1002 WeakPolarHBondContact CE1-O 3.17Å; Y964-D1002 PolarHBondContact OH-O 3.18Å; Y964-M1023 HydrophobicContact CD2-CG 4.5Å; Y964-M1023 HydrophobicContact CD2-SD 3.44Å; Y964-M1023 WeakPolarHBondContact CD2-SD 3.34Å; Y964-M1023 HydrophobicContact CE2-CG 4.07Å; Y964-M1023 HydrophobicContact CE2-SD 3.57Å; Y964-M1023 VanDerWaalsContact CE2-SD 3.57Å | ||
| 965 | N | 81.2 | Confident | 67.4 | Low | 137 Ų | 137 | 93 Ų | 93 | 73% | 0.733 | 48% | 0.484 | S | S | * | . | trans | -115.8 | 79.2 | 178.3 | -169.6 | 18.7 | 0 | 0 | 0 | 109.7 | N963 | N963-N965 PolarHBondContact O-N 2.97Š| ||
| 966 | P | 87.1 | Confident | 69.5 | Low | 7 Ų | 7 | 97 Ų | 97 | 5% | 0.045 | 50% | 0.497 | C | S | . | . | trans | -63.9 | 141.6 | -172.5 | 24.3 | -33.7 | 0 | 0 | 0 | 111.8 | Y964 Q968 L990 D1002 | Y964-P966 HydrophobicContact CD1-CG 4.32Å; Y964-P966 HydrophobicContact CE1-CB 4.25Å; Y964-P966 HydrophobicContact CE1-CG 3.77Å; Y964-P966 HydrophobicContact CE2-CB 4.3Å; Y964-P966 VanDerWaalsContact O-CD 3.31Å; Y964-P966 WeakPolarHBondContact O-CD 3.48Å; P966-Q968 PolarHBondContact O-N 3.13Å; P966-Q968 PolarHBondContact O-NE2 2.98Å; P966-L990 HydrophobicContact CB-CB 4.47Å; P966-L990 HydrophobicContact CB-CD1 3.61Å; P966-D1002 HydrophobicContact CG-CB 3.97Å; P966-D1002 WeakPolarHBondContact CG-OD2 3.44Å | ||
| 967 | P | 85.7 | Confident | 71.8 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 28% | 0.279 | 49% | 0.49 | S | S | . | . | trans | -58.5 | 128.8 | 179.1 | 10.8 | -17.9 | 0 | 0 | 0 | 111.7 | P987 S988 R1007 | P967-P987 HydrophobicContact CB-CG 4.49Å; P967-P987 HydrophobicContact CG-CB 3.86Å; P967-P987 HydrophobicContact CG-CG 3.74Å; P967-S988 WeakPolarHBondContact CG-O 3.49Å; P967-R1007 PolarHBondContact O-NH1 2.82Å; P967-R1007 PolarHBondContact O-NH2 2.79Å | ||
| 968 | Q | 87.3 | Confident | 74.7 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | trans | -97.1 | -18.2 | -176.2 | -57.8 | -61.2 | -7.7 | 0 | 0 | 113 | P966 P970 W971 D1002 R1007 | P966-Q968 PolarHBondContact O-N 3.13Å; P966-Q968 PolarHBondContact O-NE2 2.98Å; Q968-P970 CarbonylContact O-C 3.43Å; Q968-W971 WeakPolarHBondContact O-CA 3.46Å; Q968-W971 PolarHBondContact O-N 3.46Å; Q968-D1002 PolarHBondContact NE2-OD2 3.37Å; Q968-R1007 VanDerWaalsContact OE1-NH2 3.11Å | ||
| 969 | E | 78.1 | Confident | 77.7 | Confident | 181 Ų | 181 | 93.4 Ų | 93.4 | 85% | 0.846 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -130.5 | 129 | 178.2 | -70.5 | -168.7 | -178.5 | 0 | 0 | 112 | ||
| 970 | P | 83.6 | Confident | 80.9 | Confident | 88 Ų | 88 | 90.9 Ų | 90.9 | 57% | 0.571 | 47% | 0.469 | S | S | * | . | S | Bend | cis | -61.9 | 143.8 | -14.6 | 27.7 | -34.8 | 0 | 0 | 0 | 111.6 | Q968 L972 V973 | Q968-P970 CarbonylContact O-C 3.43Å; P970-L972 PolarHBondContact O-N 2.95Å; P970-V973 HydrophobicContact CB-CG2 3.74Å; P970-V973 HydrophobicContact CG-CG2 3.22Å |
| 971 | W | 87.5 | Confident | 83.8 | Confident | 109 Ų | 109 | 89.7 Ų | 89.7 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -58.4 | -45.2 | -175.8 | -179.2 | -99 | 0 | 0 | 0 | 113.2 | Q968 R1007 | Q968-W971 WeakPolarHBondContact O-CA 3.46Å; Q968-W971 PolarHBondContact O-N 3.46Å; W971-R1007 HydrophobicContact CZ2-CG 3.79Å; W971-R1007 WeakPolarHBondContact O-CD 3.29Å; W971-R1007 PolarHBondContact O-NH1 3.3Å |
| 972 | L | 89.8 | Confident | 86.5 | Confident | 39 Ų | 39 | 86 Ų | 86 | 20% | 0.204 | 43% | 0.429 | C | S | . | . | trans | -157.5 | 126.3 | 172.9 | -169.2 | 74 | 0 | 0 | 0 | 107.8 | P970 I974 M982 V984 V1004 I1008 | P970-L972 PolarHBondContact O-N 2.95Å; L972-I974 HydrophobicContact CD2-CD1 4.47Å; L972-I974 HydrophobicContact CD2-CG1 4.12Å; L972-I974 HydrophobicContact CG-CG1 4.41Å; L972-M982 HydrophobicContact CD2-SD 4.41Å; L972-V984 HydrophobicContact CD1-CB 4.27Å; L972-V984 HydrophobicContact CD1-CG1 4.16Å; L972-V984 HydrophobicContact CD1-CG2 4.49Å; L972-V984 HydrophobicContact CD2-CG1 4.05Å; L972-V984 HydrophobicContact CG-CB 4.5Å; L972-V984 HydrophobicContact CG-CG1 4.05Å; L972-V1004 HydrophobicContact CD1-CG1 4.39Å; L972-I1008 HydrophobicContact CD2-CD1 4.36Å; L972-I1008 HydrophobicContact CD2-CG1 3.6Å | ||
| 973 | V | 93.5 | Very high | 89 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 31% | 0.309 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 103.2 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | P970 L975 V984 N985 | P970-V973 HydrophobicContact CB-CG2 3.74Å; P970-V973 HydrophobicContact CG-CG2 3.22Å; V973-L975 HydrophobicContact CG1-CD2 4.28Å; V973-V984 CarbonylContact O-C 3.58Å; V973-V984 VanDerWaalsContact O-CA 3.22Å; V973-V984 WeakPolarHBondContact O-CA 3.32Å; V973-N985 HydrophobicContact CB-CB 4.07Å; V973-N985 HydrophobicContact CG1-CB 4.09Å; V973-N985 PolarHBondContact O-N 3.22Å |
| 974 | I | 95.6 | Very high | 90.8 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 119.8 | 176.4 | -56.1 | 172 | 0 | 0 | 0 | 108.3 | L972 Q977 M982 V984 | L972-I974 HydrophobicContact CD2-CD1 4.47Å; L972-I974 HydrophobicContact CD2-CG1 4.12Å; L972-I974 HydrophobicContact CG-CG1 4.41Å; I974-Q977 HydrophobicContact CG2-CB 4.12Å; I974-M982 HydrophobicContact CD1-CE 4.02Å; I974-M982 HydrophobicContact CD1-SD 4.02Å; I974-M982 HydrophobicContact CG1-SD 4.09Å; I974-M982 HydrophobicContact CG2-CG 3.99Å; I974-V984 HydrophobicContact CG1-CG1 4.22Å |
| 975 | L | 96.4 | Very high | 91.6 | Very high | 92 Ų | 92 | 73.2 Ų | 73.2 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -36.4 | 177 | -62.4 | 179.3 | 0 | 0 | 0 | 111.9 | V973 V983 N985 V1028 | V973-L975 HydrophobicContact CG1-CD2 4.28Å; L975-V983 HydrophobicContact CB-CB 4.44Å; L975-V983 HydrophobicContact CB-CG1 4.26Å; L975-V983 HydrophobicContact CD1-CG1 4.33Å; L975-V983 PolarHBondContact N-O 3.25Å; L975-N985 HydrophobicContact CD1-CB 3.99Å; L975-N985 HydrophobicContact CD2-CB 4.06Å; L975-N985 HydrophobicContact CG-CB 4.01Å; L975-V1028 HydrophobicContact CD1-CG1 4.26Å; L975-V1028 HydrophobicContact CD1-CG2 3.9Å |
| 976 | Y | 96.5 | Very high | 92.3 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 48% | 0.475 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 146.4 | -179.6 | 179 | -96.3 | 0 | 0 | 0 | 109.9 | D978 I981 M982 V983 | Y976-D978 HydrophobicContact CE1-CB 3.96Å; Y976-D978 WeakPolarHBondContact CE1-OD2 3.48Å; Y976-D978 PolarHBondContact OH-OD2 2.92Å; Y976-I981 HydrophobicContact CD1-CD1 4.22Å; Y976-I981 HydrophobicContact CD1-CG1 4.24Å; Y976-I981 HydrophobicContact CE1-CD1 4.07Å; Y976-I981 HydrophobicContact CE1-CG1 4.02Å; Y976-M982 CarbonylContact O-C 3.59Å; Y976-V983 HydrophobicContact CD1-CG2 4.1Å; Y976-V983 PolarHBondContact N-O 3.36Å; Y976-V983 PolarHBondContact O-N 2.85Å |
| 977 | Q | 96.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 68.3 Ų | 68.3 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 134.1 | 172.8 | -176.7 | -176.7 | -13.9 | 0 | 0 | 109.5 | I974 I981 M982 Y1012 L1033 | I974-Q977 HydrophobicContact CG2-CB 4.12Å; Q977-I981 WeakPolarHBondContact CA-O 3.39Å; Q977-M982 HydrophobicContact CG-CE 4.23Å; Q977-Y1012 VanDerWaalsContact NE2-CZ 3.28Å; Q977-Y1012 PolarHBondContact NE2-OH 2.89Å; Q977-L1033 HydrophobicContact CG-CD1 4.15Å |
| 978 | D | 94.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 69.3 Ų | 69.3 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | trans | -131.8 | -166.5 | 167.5 | 67.1 | 22.6 | 0 | 0 | 0 | 110.5 | Y976 H980 I981 L1033 | Y976-D978 HydrophobicContact CE1-CB 3.96Å; Y976-D978 WeakPolarHBondContact CE1-OD2 3.48Å; Y976-D978 PolarHBondContact OH-OD2 2.92Å; D978-H980 PolarHBondContact O-N 3.49Å; D978-H980 WeakPolarHBondContact OD1-CA 3.42Å; D978-H980 PolarHBondContact OD1-N 3.33Å; D978-I981 PolarHBondContact N-O 3.33Å; D978-I981 WeakPolarHBondContact OD1-CG1 3.44Å; D978-I981 PolarHBondContact OD1-N 2.96Å; D978-L1033 WeakPolarHBondContact O-CD1 3.42Å | ||
| 979 | D | 92.6 | Very high | 92.8 | Very high | 145 Ų | 145 | 66.7 Ų | 66.7 | 78% | 0.775 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -68.8 | -10.9 | -179.6 | -66 | -24.9 | 0 | 0 | 0 | 113.8 | ||
| 980 | H | 95.4 | Very high | 93.5 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -121.3 | -35.9 | -170.1 | -66.7 | -41.2 | 0 | 0 | 0 | 113.6 | D978 L1033 A1037 | D978-H980 PolarHBondContact O-N 3.49Å; D978-H980 WeakPolarHBondContact OD1-CA 3.42Å; D978-H980 PolarHBondContact OD1-N 3.33Å; H980-L1033 PolarHBondContact O-N 3.47Å; H980-A1037 HydrophobicContact CB-CB 4.06Å; H980-A1037 WeakPolarHBondContact O-CB 3.46Å |
| 981 | I | 96.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.3 | -172.9 | 67.5 | 168.3 | 0 | 0 | 0 | 111.8 | Y976 Q977 D978 V983 V1030 V1031 A1037 L1041 | Y976-I981 HydrophobicContact CD1-CD1 4.22Å; Y976-I981 HydrophobicContact CD1-CG1 4.24Å; Y976-I981 HydrophobicContact CE1-CD1 4.07Å; Y976-I981 HydrophobicContact CE1-CG1 4.02Å; Q977-I981 WeakPolarHBondContact CA-O 3.39Å; D978-I981 PolarHBondContact N-O 3.33Å; D978-I981 WeakPolarHBondContact OD1-CG1 3.44Å; D978-I981 PolarHBondContact OD1-N 2.96Å; I981-V983 HydrophobicContact CD1-CG2 4.31Å; I981-V1030 HydrophobicContact CB-CG1 4.24Å; I981-V1030 HydrophobicContact CD1-CG1 4.38Å; I981-V1030 HydrophobicContact CG2-CG1 4.49Å; I981-V1031 CarbonylContact C-O 3.59Å; I981-V1031 WeakPolarHBondContact CA-O 3.5Å; I981-A1037 HydrophobicContact CG2-CB 4.14Å; I981-L1041 HydrophobicContact CG2-CD1 3.65Å |
| 982 | M | 96.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.9 | 166.5 | -175.8 | -175.9 | -72.5 | 0 | 0 | 108.5 | L972 I974 Y976 Q977 V984 I1008 Y1012 V1030 V1031 L1033 | L972-M982 HydrophobicContact CD2-SD 4.41Å; I974-M982 HydrophobicContact CD1-CE 4.02Å; I974-M982 HydrophobicContact CD1-SD 4.02Å; I974-M982 HydrophobicContact CG1-SD 4.09Å; I974-M982 HydrophobicContact CG2-CG 3.99Å; Y976-M982 CarbonylContact O-C 3.59Å; Q977-M982 HydrophobicContact CG-CE 4.23Å; M982-V984 HydrophobicContact CG-CG1 3.9Å; M982-V984 HydrophobicContact SD-CG1 3.87Å; M982-I1008 HydrophobicContact SD-CD1 3.97Å; M982-I1008 HydrophobicContact SD-CG1 3.9Å; M982-I1008 HydrophobicContact SD-CG2 4.17Å; M982-Y1012 HydrophobicContact CE-CD2 3.8Å; M982-Y1012 HydrophobicContact CE-CE2 3.48Å; M982-Y1012 VanDerWaalsContact CE-CE2 3.48Å; M982-V1030 CarbonylContact O-C 3.51Å; M982-V1030 WeakPolarHBondContact O-CA 3.37Å; M982-V1031 PolarHBondContact N-O 3.36Å; M982-V1031 PolarHBondContact O-N 3.13Å; M982-L1033 HydrophobicContact CB-CD1 4.28Å; M982-L1033 HydrophobicContact CB-CD2 4.05Å; M982-L1033 HydrophobicContact CB-CG 4.23Å; M982-L1033 HydrophobicContact CE-CD2 4.42Å |
| 983 | V | 97.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.121 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.5 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | L975 Y976 I981 V1028 I1029 V1030 | L975-V983 HydrophobicContact CB-CB 4.44Å; L975-V983 HydrophobicContact CB-CG1 4.26Å; L975-V983 HydrophobicContact CD1-CG1 4.33Å; L975-V983 PolarHBondContact N-O 3.25Å; Y976-V983 HydrophobicContact CD1-CG2 4.1Å; Y976-V983 PolarHBondContact N-O 3.36Å; Y976-V983 PolarHBondContact O-N 2.85Å; I981-V983 HydrophobicContact CD1-CG2 4.31Å; V983-V1028 HydrophobicContact CG1-CG1 3.3Å; V983-I1029 CarbonylContact C-O 3.59Å; V983-I1029 WeakPolarHBondContact CA-O 3.35Å; V983-V1030 HydrophobicContact CG1-CG2 4.39Å; V983-V1030 HydrophobicContact CG2-CG1 4.41Å; V983-V1030 HydrophobicContact CG2-CG2 4.09Å |
| 984 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.2 | -178.1 | -58 | 0 | 0 | 0 | 0 | 111.2 | L972 V973 I974 M982 V1004 I1008 V1028 I1029 | L972-V984 HydrophobicContact CD1-CB 4.27Å; L972-V984 HydrophobicContact CD1-CG1 4.16Å; L972-V984 HydrophobicContact CD1-CG2 4.49Å; L972-V984 HydrophobicContact CD2-CG1 4.05Å; L972-V984 HydrophobicContact CG-CB 4.5Å; L972-V984 HydrophobicContact CG-CG1 4.05Å; V973-V984 CarbonylContact O-C 3.58Å; V973-V984 VanDerWaalsContact O-CA 3.22Å; V973-V984 WeakPolarHBondContact O-CA 3.32Å; I974-V984 HydrophobicContact CG1-CG1 4.22Å; M982-V984 HydrophobicContact CG-CG1 3.9Å; M982-V984 HydrophobicContact SD-CG1 3.87Å; V984-V1004 HydrophobicContact CG2-CG1 3.63Å; V984-I1008 HydrophobicContact CG1-CD1 4.04Å; V984-I1008 HydrophobicContact CG2-CD1 4.48Å; V984-V1028 WeakPolarHBondContact O-CA 3.13Å; V984-I1029 HydrophobicContact CG2-CB 3.95Å; V984-I1029 HydrophobicContact CG2-CG2 4.34Å; V984-I1029 PolarHBondContact N-O 2.93Å; V984-I1029 PolarHBondContact O-N 3.06Å |
| 985 | N | 95.7 | Very high | 93 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 101.9 | 167.5 | -173.6 | 10.5 | 0 | 0 | 0 | 108.7 | V973 L975 P987 | V973-N985 HydrophobicContact CB-CB 4.07Å; V973-N985 HydrophobicContact CG1-CB 4.09Å; V973-N985 PolarHBondContact O-N 3.22Å; L975-N985 HydrophobicContact CD1-CB 3.99Å; L975-N985 HydrophobicContact CD2-CB 4.06Å; L975-N985 HydrophobicContact CG-CB 4.01Å; N985-P987 WeakPolarHBondContact O-CD 3.26Å |
| 986 | K | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123.1 | 177.8 | 174.7 | -167.9 | 163.2 | -48.9 | 0 | 109.2 | L990 V1004 L1021 D1022 M1023 T1025 S1026 G1027 I1029 | K986-L990 WeakPolarHBondContact CE-O 3.43Å; K986-L990 PolarHBondContact NZ-O 3.49Å; K986-V1004 HydrophobicContact CB-CG2 4.04Å; K986-V1004 HydrophobicContact CD-CG2 4.25Å; K986-V1004 HydrophobicContact CG-CG2 3.76Å; K986-L1021 HydrophobicContact CD-CB 4.1Å; K986-L1021 HydrophobicContact CD-CD1 4.45Å; K986-D1022 WeakPolarHBondContact CE-O 3.28Å; K986-D1022 PolarHBondContact NZ-O 3.44Å; K986-D1022 VanDerWaalsContact NZ-O 3.1Å; K986-M1023 PolarHBondContact NZ-O 3.28Å; K986-T1025 PolarHBondContact NZ-O 3.21Å; K986-S1026 CarbonylContact O-C 3.44Å; K986-S1026 WeakPolarHBondContact O-CA 3.4Å; K986-S1026 WeakPolarHBondContact O-CB 3.37Å; K986-G1027 PolarHBondContact N-O 3.41Å; K986-G1027 PolarHBondContact O-N 3.04Å; K986-I1029 HydrophobicContact CB-CD1 3.92Å; K986-I1029 HydrophobicContact CB-CG1 4.22Å; K986-I1029 HydrophobicContact CD-CD1 3.42Å; K986-I1029 VanDerWaalsContact CD-CD1 3.42Å; K986-I1029 HydrophobicContact CD-CG1 4.41Å; K986-I1029 HydrophobicContact CG-CD1 4.21Å |
| 987 | P | 92.8 | Very high | 90.3 | Very high | 41 Ų | 41 | 52 Ų | 52 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 159.5 | 170.1 | 30.2 | -35 | 0 | 0 | 0 | 111.9 | P967 N985 L990 | P967-P987 HydrophobicContact CB-CG 4.49Å; P967-P987 HydrophobicContact CG-CB 3.86Å; P967-P987 HydrophobicContact CG-CG 3.74Å; N985-P987 WeakPolarHBondContact O-CD 3.26Å; P987-L990 HydrophobicContact CG-CB 4.03Å; P987-L990 HydrophobicContact CG-CD2 4.16Å |
| 988 | S | 90.7 | Very high | 88.9 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 143 | 166.2 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | P967 A1024 | P967-S988 WeakPolarHBondContact CG-O 3.49Å; S988-A1024 WeakPolarHBondContact CB-O 3.41Å; S988-A1024 PolarHBondContact OG-O 3.11Å |
| 989 | G | 88.5 | Confident | 88 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -7.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y964 M1023 | Y964-G989 VanDerWaalsContact CE2-O 3.25Å; Y964-G989 WeakPolarHBondContact CE2-O 3.35Å; G989-M1023 PolarHBondContact N-O 3.43Å |
| 990 | L | 92.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -98.1 | 140.2 | 170.8 | -178.5 | 63.7 | 0 | 0 | 0 | 109.4 | P966 K986 P987 V1004 | P966-L990 HydrophobicContact CB-CB 4.47Å; P966-L990 HydrophobicContact CB-CD1 3.61Å; K986-L990 WeakPolarHBondContact CE-O 3.43Å; K986-L990 PolarHBondContact NZ-O 3.49Å; P987-L990 HydrophobicContact CG-CB 4.03Å; P987-L990 HydrophobicContact CG-CD2 4.16Å; L990-V1004 HydrophobicContact CD2-CG2 3.51Å; L990-V1004 HydrophobicContact CG-CG2 4.01Å |
| 991 | L | 92.5 | Very high | 86.9 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 147.5 | 172.9 | -72.9 | 166 | 0 | 0 | 0 | 111.5 | M961 Y964 V993 H1000 S1003 V1004 M1023 | M961-L991 HydrophobicContact CE-CD2 4.2Å; Y964-L991 HydrophobicContact CE1-CD1 4.02Å; Y964-L991 HydrophobicContact CE2-CB 4.48Å; Y964-L991 HydrophobicContact CE2-CD1 3.91Å; Y964-L991 HydrophobicContact CE2-CG 3.65Å; Y964-L991 WeakPolarHBondContact OH-CB 3.48Å; Y964-L991 WeakPolarHBondContact OH-CG 3.19Å; Y964-L991 PolarHBondContact OH-N 3.27Å; L991-V993 WeakPolarHBondContact CB-O 3.14Å; L991-H1000 HydrophobicContact CD1-CB 3.93Å; L991-S1003 CarbonylContact O-C 3.55Å; L991-S1003 WeakPolarHBondContact O-CA 3.42Å; L991-S1003 WeakPolarHBondContact O-CB 3.35Å; L991-V1004 PolarHBondContact O-N 3.45Å; L991-M1023 HydrophobicContact CD2-CB 3.9Å; L991-M1023 HydrophobicContact CD2-CG 4.15Å; L991-M1023 HydrophobicContact CD2-SD 4.37Å; L991-M1023 HydrophobicContact CG-CG 4.38Å |
| 992 | S | 93.5 | Very high | 86.7 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -69.8 | -40.1 | 171.1 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | M1005 L1021 I1029 | S992-M1005 WeakPolarHBondContact O-CB 3.34Å; S992-M1005 PolarHBondContact O-N 3.36Å; S992-M1005 VanDerWaalsContact O-N 3.15Å; S992-L1021 PolarHBondContact OG-N 3.14Å; S992-L1021 PolarHBondContact OG-O 3.35Å; S992-I1029 WeakPolarHBondContact OG-CD1 3.21Å |
| 993 | V | 90.3 | Very high | 86.5 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -132.7 | 151.6 | -177.6 | -67 | 0 | 0 | 0 | 0 | 108.6 | L991 M1005 | L991-V993 WeakPolarHBondContact CB-O 3.14Å; V993-M1005 HydrophobicContact CG1-CB 4.47Å |
| 994 | P | 85 | Confident | 86.4 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | trans | -61.8 | 142.2 | -177.6 | 25.3 | -34.3 | 0 | 0 | 0 | 111.5 | S1003 T1006 | P994-S1003 WeakPolarHBondContact CD-OG 3.3Å; P994-T1006 HydrophobicContact CB-CG2 3.9Å; P994-T1006 HydrophobicContact CG-CG2 3.91Å | ||
| 995 | G | 79 | Confident | 86.3 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | -79.8 | 175.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | H1000 | G995-H1000 PolarHBondContact N-O 3.13Š| ||
| 996 | R | 65.9 | Low | 86.2 | Confident | 215 Ų | 215 | 49.8 Ų | 49.8 | 81% | 0.811 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -74.2 | -30.7 | -178.1 | -170.7 | 177.8 | 178.7 | -177.5 | -0.4 | 113.6 | ||
| 997 | L | 69.5 | Low | 86.2 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 45% | 0.45 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -85.8 | 151.5 | -178.9 | -62.3 | 176.2 | 0 | 0 | 0 | 110.8 | E999 H1000 | L997-E999 VanDerWaalsContact C-N 3.29Å; L997-E999 HydrophobicContact CB-CG 4.1Å; L997-E999 PolarHBondContact O-N 3.14Å; L997-H1000 PolarHBondContact O-N 3.1Å |
| 998 | E | 67.5 | Low | 86.2 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 62% | 0.621 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -56.8 | -43.1 | -178 | -170 | 63.1 | -150.4 | 0 | 0 | 112 | H1000 K1001 | E998-H1000 PolarHBondContact O-N 3.2Å; E998-K1001 WeakPolarHBondContact O-CB 3.37Å; E998-K1001 PolarHBondContact O-N 3.12Å; E998-K1001 WeakPolarHBondContact OE1-CD 3.45Å; E998-K1001 IonicContact OE1-NZ 3.79Å; E998-K1001 PolarHBondContact OE1-NZ 3.41Å; E998-K1001 WeakPolarHBondContact OE2-CE 3.39Å; E998-K1001 IonicContact OE2-NZ 3.63Å; E998-K1001 PolarHBondContact OE2-NZ 3.06Å |
| 999 | E | 75.1 | Confident | 86.4 | Confident | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -59 | -30 | 175.7 | 58.7 | -134.6 | -150 | 0 | 0 | 113 | Y964 L997 K1001 | Y964-E999 WeakPolarHBondContact CD1-O 3.39Å; L997-E999 VanDerWaalsContact C-N 3.29Å; L997-E999 HydrophobicContact CB-CG 4.1Å; L997-E999 PolarHBondContact O-N 3.14Å; E999-K1001 PolarHBondContact O-N 3.34Å |
| 1000 | H | 81.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.069 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -90.6 | 7.9 | -178 | -58.5 | 160 | 0 | 0 | 0 | 114.1 | Y964 L991 G995 L997 E998 | Y964-H1000 VanDerWaalsContact CB-CD2 3.42Å; Y964-H1000 WeakPolarHBondContact CB-CD2 3.32Å; Y964-H1000 AromaticContact CD1-CD2 3.68Å; Y964-H1000 AromaticContact CG-CD2 3.62Å; L991-H1000 HydrophobicContact CD1-CB 3.93Å; G995-H1000 PolarHBondContact N-O 3.13Å; L997-H1000 PolarHBondContact O-N 3.1Å; E998-H1000 PolarHBondContact O-N 3.2Å |
| 1001 | K | 84.5 | Confident | 86.2 | Confident | 100 Ų | 100 | 58.8 Ų | 58.8 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -71.6 | -30 | -179.4 | -78.3 | -171.2 | 176.5 | 168.8 | 0 | 113.9 | E998 E999 S1003 T1006 | E998-K1001 WeakPolarHBondContact O-CB 3.37Å; E998-K1001 PolarHBondContact O-N 3.12Å; E998-K1001 WeakPolarHBondContact OE1-CD 3.45Å; E998-K1001 IonicContact OE1-NZ 3.79Å; E998-K1001 PolarHBondContact OE1-NZ 3.41Å; E998-K1001 WeakPolarHBondContact OE2-CE 3.39Å; E998-K1001 IonicContact OE2-NZ 3.63Å; E998-K1001 PolarHBondContact OE2-NZ 3.06Å; E999-K1001 PolarHBondContact O-N 3.34Å; K1001-S1003 PolarHBondContact O-N 3.29Å; K1001-T1006 WeakPolarHBondContact O-CB 3.32Å; K1001-T1006 VanDerWaalsContact O-CG2 3.26Å; K1001-T1006 WeakPolarHBondContact O-CG2 3.18Å; K1001-T1006 PolarHBondContact O-OG1 3.42Å |
| 1002 | D | 90.6 | Very high | 86.2 | Confident | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | trans | -69.1 | 121.4 | 176 | -175.5 | 12.2 | 0 | 0 | 0 | 109.7 | Y964 P966 Q968 R1007 | Y964-D1002 VanDerWaalsContact CE1-O 3.3Å; Y964-D1002 WeakPolarHBondContact CE1-O 3.17Å; Y964-D1002 PolarHBondContact OH-O 3.18Å; P966-D1002 HydrophobicContact CG-CB 3.97Å; P966-D1002 WeakPolarHBondContact CG-OD2 3.44Å; Q968-D1002 PolarHBondContact NE2-OD2 3.37Å; D1002-R1007 WeakPolarHBondContact OD1-CG 3.48Å; D1002-R1007 IonicContact OD1-CZ 3.54Å; D1002-R1007 IonicContact OD1-NE 3.33Å; D1002-R1007 PolarHBondContact OD1-NE 2.89Å; D1002-R1007 IonicContact OD1-NH2 3.29Å; D1002-R1007 PolarHBondContact OD1-NH2 3.26Å; D1002-R1007 IonicContact OD2-CZ 3.3Å; D1002-R1007 IonicContact OD2-NE 3.79Å; D1002-R1007 IonicContact OD2-NH2 3.48Å; D1002-R1007 PolarHBondContact OD2-NH2 3.01Å | ||
| 1003 | S | 94 | Very high | 85.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -156.5 | 166.7 | -174.8 | 68.2 | 0 | 0 | 0 | 0 | 110 | L991 P994 K1001 M1005 T1006 R1007 | L991-S1003 CarbonylContact O-C 3.55Å; L991-S1003 WeakPolarHBondContact O-CA 3.42Å; L991-S1003 WeakPolarHBondContact O-CB 3.35Å; P994-S1003 WeakPolarHBondContact CD-OG 3.3Å; K1001-S1003 PolarHBondContact O-N 3.29Å; S1003-M1005 PolarHBondContact O-N 2.7Å; S1003-M1005 PolarHBondContact OG-N 3.33Å; S1003-T1006 PolarHBondContact N-OG1 3.37Å; S1003-T1006 PolarHBondContact O-N 2.93Å; S1003-T1006 PolarHBondContact O-OG1 3.25Å; S1003-T1006 PolarHBondContact OG-N 3.43Å; S1003-T1006 VanDerWaalsContact OG-N 3.09Å; S1003-T1006 PolarHBondContact OG-OG1 2.97Å; S1003-R1007 WeakPolarHBondContact O-CB 3.44Å; S1003-R1007 VanDerWaalsContact O-CG 3.25Å; S1003-R1007 WeakPolarHBondContact O-CG 3.41Å; S1003-R1007 PolarHBondContact O-N 3.41Å |
| 1004 | V | 94.7 | Very high | 85.8 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -51 | -44.9 | 170.8 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L972 V984 K986 L990 L991 R1007 I1008 | L972-V1004 HydrophobicContact CD1-CG1 4.39Å; V984-V1004 HydrophobicContact CG2-CG1 3.63Å; K986-V1004 HydrophobicContact CB-CG2 4.04Å; K986-V1004 HydrophobicContact CD-CG2 4.25Å; K986-V1004 HydrophobicContact CG-CG2 3.76Å; L990-V1004 HydrophobicContact CD2-CG2 3.51Å; L990-V1004 HydrophobicContact CG-CG2 4.01Å; L991-V1004 PolarHBondContact O-N 3.45Å; V1004-R1007 PolarHBondContact O-N 2.97Å; V1004-I1008 HydrophobicContact CG1-CD1 3.7Å; V1004-I1008 VanDerWaalsContact O-CG1 3.3Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.2Å; V1004-I1008 PolarHBondContact O-N 3.35Å |
| 1005 | M | 94.6 | Very high | 86.1 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 3% | 0.034 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -48.9 | -176.9 | -166 | 70.6 | -85.4 | 0 | 0 | 112.3 | S992 V993 S1003 R1007 I1008 Q1009 A1015 S1017 V1031 | S992-M1005 WeakPolarHBondContact O-CB 3.34Å; S992-M1005 PolarHBondContact O-N 3.36Å; S992-M1005 VanDerWaalsContact O-N 3.15Å; V993-M1005 HydrophobicContact CG1-CB 4.47Å; S1003-M1005 PolarHBondContact O-N 2.7Å; S1003-M1005 PolarHBondContact OG-N 3.33Å; M1005-R1007 VanDerWaalsContact C-N 3.3Å; M1005-R1007 PolarHBondContact O-N 3.4Å; M1005-I1008 HydrophobicContact CE-CB 3.89Å; M1005-I1008 HydrophobicContact CE-CG2 3.98Å; M1005-I1008 PolarHBondContact O-N 3.47Å; M1005-I1008 VanDerWaalsContact O-N 3.16Å; M1005-Q1009 HydrophobicContact CE-CG 3.9Å; M1005-Q1009 HydrophobicContact CG-CG 4.43Å; M1005-Q1009 WeakPolarHBondContact O-CB 3.44Å; M1005-Q1009 PolarHBondContact O-N 2.93Å; M1005-A1015 HydrophobicContact CE-CB 3.7Å; M1005-S1017 PolarHBondContact SD-N 3.47Å; M1005-V1031 HydrophobicContact CE-CG1 3.47Å; M1005-V1031 VanDerWaalsContact CE-CG1 3.47Å; M1005-V1031 HydrophobicContact SD-CG1 4.08Å |
| 1006 | T | 93.1 | Very high | 86.8 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66 | -32.9 | 179.2 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | P994 K1001 S1003 R1010 | P994-T1006 HydrophobicContact CB-CG2 3.9Å; P994-T1006 HydrophobicContact CG-CG2 3.91Å; K1001-T1006 WeakPolarHBondContact O-CB 3.32Å; K1001-T1006 VanDerWaalsContact O-CG2 3.26Å; K1001-T1006 WeakPolarHBondContact O-CG2 3.18Å; K1001-T1006 PolarHBondContact O-OG1 3.42Å; S1003-T1006 PolarHBondContact N-OG1 3.37Å; S1003-T1006 PolarHBondContact O-N 2.93Å; S1003-T1006 PolarHBondContact O-OG1 3.25Å; S1003-T1006 PolarHBondContact OG-N 3.43Å; S1003-T1006 VanDerWaalsContact OG-N 3.09Å; S1003-T1006 PolarHBondContact OG-OG1 2.97Å; T1006-R1010 PolarHBondContact O-N 2.96Å; T1006-R1010 VanDerWaalsContact O-N 3.17Å |
| 1007 | R | 94.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -40 | 171.8 | -70.6 | -176.9 | -171.3 | -168.9 | 1.5 | 112.7 | P967 Q968 W971 D1002 S1003 V1004 M1005 | P967-R1007 PolarHBondContact O-NH1 2.82Å; P967-R1007 PolarHBondContact O-NH2 2.79Å; Q968-R1007 VanDerWaalsContact OE1-NH2 3.11Å; W971-R1007 HydrophobicContact CZ2-CG 3.79Å; W971-R1007 WeakPolarHBondContact O-CD 3.29Å; W971-R1007 PolarHBondContact O-NH1 3.3Å; D1002-R1007 WeakPolarHBondContact OD1-CG 3.48Å; D1002-R1007 IonicContact OD1-CZ 3.54Å; D1002-R1007 IonicContact OD1-NE 3.33Å; D1002-R1007 PolarHBondContact OD1-NE 2.89Å; D1002-R1007 IonicContact OD1-NH2 3.29Å; D1002-R1007 PolarHBondContact OD1-NH2 3.26Å; D1002-R1007 IonicContact OD2-CZ 3.3Å; D1002-R1007 IonicContact OD2-NE 3.79Å; D1002-R1007 IonicContact OD2-NH2 3.48Å; D1002-R1007 PolarHBondContact OD2-NH2 3.01Å; S1003-R1007 WeakPolarHBondContact O-CB 3.44Å; S1003-R1007 VanDerWaalsContact O-CG 3.25Å; S1003-R1007 WeakPolarHBondContact O-CG 3.41Å; S1003-R1007 PolarHBondContact O-N 3.41Å; V1004-R1007 PolarHBondContact O-N 2.97Å; M1005-R1007 VanDerWaalsContact C-N 3.3Å; M1005-R1007 PolarHBondContact O-N 3.4Å |
| 1008 | I | 93.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.5 | -44.9 | 176.6 | -68 | 166.5 | 0 | 0 | 0 | 110.9 | L972 M982 V984 V1004 M1005 R1010 D1011 Y1012 A1015 V1031 L1033 | L972-I1008 HydrophobicContact CD2-CD1 4.36Å; L972-I1008 HydrophobicContact CD2-CG1 3.6Å; M982-I1008 HydrophobicContact SD-CD1 3.97Å; M982-I1008 HydrophobicContact SD-CG1 3.9Å; M982-I1008 HydrophobicContact SD-CG2 4.17Å; V984-I1008 HydrophobicContact CG1-CD1 4.04Å; V984-I1008 HydrophobicContact CG2-CD1 4.48Å; V1004-I1008 HydrophobicContact CG1-CD1 3.7Å; V1004-I1008 VanDerWaalsContact O-CG1 3.3Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.2Å; V1004-I1008 PolarHBondContact O-N 3.35Å; M1005-I1008 HydrophobicContact CE-CB 3.89Å; M1005-I1008 HydrophobicContact CE-CG2 3.98Å; M1005-I1008 PolarHBondContact O-N 3.47Å; M1005-I1008 VanDerWaalsContact O-N 3.16Å; I1008-R1010 PolarHBondContact O-N 3.41Å; I1008-D1011 PolarHBondContact O-N 2.98Å; I1008-Y1012 HydrophobicContact CG2-CD2 4.28Å; I1008-Y1012 PolarHBondContact O-N 3.47Å; I1008-A1015 HydrophobicContact CG2-CB 3.66Å; I1008-V1031 HydrophobicContact CD1-CB 4.15Å; I1008-V1031 HydrophobicContact CD1-CG1 4.27Å; I1008-V1031 HydrophobicContact CD1-CG2 3.64Å; I1008-V1031 HydrophobicContact CG2-CG1 4.42Å; I1008-L1033 HydrophobicContact CG2-CD2 4.47Å |
| 1009 | Q | 93.6 | Very high | 90.4 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -24 | -178.7 | -85.1 | 167.4 | -14.1 | 0 | 0 | 113.5 | M1005 D1011 Y1012 P1013 A1015 | M1005-Q1009 HydrophobicContact CE-CG 3.9Å; M1005-Q1009 HydrophobicContact CG-CG 4.43Å; M1005-Q1009 WeakPolarHBondContact O-CB 3.44Å; M1005-Q1009 PolarHBondContact O-N 2.93Å; Q1009-D1011 PolarHBondContact O-N 3.33Å; Q1009-Y1012 WeakPolarHBondContact CA-O 3.47Å; Q1009-Y1012 CarbonylContact O-C 3.45Å; Q1009-P1013 WeakPolarHBondContact O-CA 3.48Å; Q1009-A1015 HydrophobicContact CG-CB 4.46Å; Q1009-A1015 PolarHBondContact NE2-O 3.43Å |
| 1010 | R | 89.3 | Confident | 91.1 | Very high | 155 Ų | 155 | 54.9 Ų | 54.9 | 59% | 0.585 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -42.6 | 171 | -166.2 | -168.3 | 76 | -167.5 | -2.1 | 112.3 | T1006 I1008 | T1006-R1010 PolarHBondContact O-N 2.96Å; T1006-R1010 VanDerWaalsContact O-N 3.17Å; I1008-R1010 PolarHBondContact O-N 3.41Å |
| 1011 | D | 89 | Confident | 91.5 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -21.9 | -176.9 | -57.1 | -18.2 | 0 | 0 | 0 | 111.4 | I1008 Q1009 | I1008-D1011 PolarHBondContact O-N 2.98Å; Q1009-D1011 PolarHBondContact O-N 3.33Å |
| 1012 | Y | 91.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 35% | 0.349 | 26% | 0.261 | S | S | . | . | trans | -133 | 78 | 179.4 | -58.8 | -88.7 | 0 | 0 | 0 | 111.8 | Q977 M982 I1008 Q1009 Q1014 A1015 L1033 | Q977-Y1012 VanDerWaalsContact NE2-CZ 3.28Å; Q977-Y1012 PolarHBondContact NE2-OH 2.89Å; M982-Y1012 HydrophobicContact CE-CD2 3.8Å; M982-Y1012 HydrophobicContact CE-CE2 3.48Å; M982-Y1012 VanDerWaalsContact CE-CE2 3.48Å; I1008-Y1012 HydrophobicContact CG2-CD2 4.28Å; I1008-Y1012 PolarHBondContact O-N 3.47Å; Q1009-Y1012 WeakPolarHBondContact CA-O 3.47Å; Q1009-Y1012 CarbonylContact O-C 3.45Å; Y1012-Q1014 PolarHBondContact O-N 3.23Å; Y1012-A1015 WeakPolarHBondContact O-CB 3.32Å; Y1012-A1015 PolarHBondContact O-N 3.47Å; Y1012-L1033 HydrophobicContact CD1-CD2 4.19Å; Y1012-L1033 HydrophobicContact CG-CD2 4.04Å | ||
| 1013 | P | 87.2 | Confident | 91.2 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 65% | 0.649 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.6 | -171.7 | -25.9 | 34.5 | 0 | 0 | 0 | 115.6 | Q1009 A1015 | Q1009-P1013 WeakPolarHBondContact O-CA 3.48Å; P1013-A1015 VanDerWaalsContact C-N 3.29Å |
| 1014 | Q | 88 | Confident | 90.8 | Very high | 137 Ų | 137 | 58.6 Ų | 58.6 | 64% | 0.64 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.1 | 177.5 | -62.9 | -70 | -33.9 | 0 | 0 | 113 | Y1012 | Y1012-Q1014 PolarHBondContact O-N 3.23Š|
| 1015 | A | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -71.5 | 137.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1005 I1008 Q1009 Y1012 P1013 V1031 A1032 L1033 | M1005-A1015 HydrophobicContact CE-CB 3.7Å; I1008-A1015 HydrophobicContact CG2-CB 3.66Å; Q1009-A1015 HydrophobicContact CG-CB 4.46Å; Q1009-A1015 PolarHBondContact NE2-O 3.43Å; Y1012-A1015 WeakPolarHBondContact O-CB 3.32Å; Y1012-A1015 PolarHBondContact O-N 3.47Å; P1013-A1015 VanDerWaalsContact C-N 3.29Å; A1015-V1031 HydrophobicContact CB-CG1 4Å; A1015-A1032 CarbonylContact C-O 3.56Å; A1015-A1032 WeakPolarHBondContact CA-O 3.5Å; A1015-L1033 HydrophobicContact CB-CD2 3.91Å | ||
| 1016 | E | 92.9 | Very high | 90.3 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.1 | -173.5 | -77 | -71.7 | 179 | 0 | 0 | 111.3 | V1031 A1032 E1038 | E1016-V1031 WeakPolarHBondContact O-CG1 3.37Å; E1016-A1032 PolarHBondContact N-O 3.14Å; E1016-A1032 PolarHBondContact O-N 2.88Å; E1016-E1038 HydrophobicContact CB-CB 4.33Å; E1016-E1038 HydrophobicContact CB-CG 3.77Å; E1016-E1038 HydrophobicContact CG-CG 4.41Å |
| 1017 | S | 93.4 | Very high | 90.4 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137.7 | 176.7 | 72.2 | 0 | 0 | 0 | 0 | 111.1 | M1005 K1042 | M1005-S1017 PolarHBondContact SD-N 3.47Å; S1017-K1042 VanDerWaalsContact O-CE 3.23Å; S1017-K1042 WeakPolarHBondContact O-CE 3.22Å |
| 1018 | V | 92.6 | Very high | 90.4 | Very high | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -116.1 | -18.9 | 179.6 | -60 | 0 | 0 | 0 | 0 | 112.8 | V1030 A1032 E1038 L1041 K1042 F1045 | V1018-V1030 HydrophobicContact CG2-CB 4.47Å; V1018-V1030 VanDerWaalsContact CG2-O 3.3Å; V1018-V1030 WeakPolarHBondContact CG2-O 3.44Å; V1018-A1032 HydrophobicContact CG1-CB 3.82Å; V1018-E1038 HydrophobicContact CG1-CG 4.35Å; V1018-L1041 HydrophobicContact CB-CB 3.88Å; V1018-L1041 HydrophobicContact CG1-CB 3.7Å; V1018-L1041 HydrophobicContact CG1-CD1 4.05Å; V1018-L1041 HydrophobicContact CG2-CB 4.04Å; V1018-L1041 HydrophobicContact CG2-CD1 4.14Å; V1018-K1042 HydrophobicContact CB-CG 4.26Å; V1018-K1042 HydrophobicContact CG1-CG 4.3Å; V1018-F1045 HydrophobicContact CB-CD2 4.38Å; V1018-F1045 HydrophobicContact CB-CE2 4.46Å; V1018-F1045 HydrophobicContact CG2-CD2 4.13Å; V1018-F1045 HydrophobicContact CG2-CE2 3.73Å |
| 1019 | H | 92.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 66 Ų | 66 | 12% | 0.12 | 35% | 0.345 | C | S | . | . | trans | -159 | 172.1 | 174.1 | 77.6 | 124.5 | 0 | 0 | 0 | 108.7 | I1029 V1030 F1045 | H1019-I1029 WeakPolarHBondContact NE2-CA 3.46Å; H1019-V1030 PolarHBondContact CD2-O 2.95Å; H1019-V1030 PolarHBondContact NE2-N 3.47Å; H1019-F1045 HydrophobicContact CB-CD1 3.93Å; H1019-F1045 HydrophobicContact CB-CD2 4.15Å; H1019-F1045 HydrophobicContact CB-CE1 3.75Å; H1019-F1045 HydrophobicContact CB-CE2 4Å; H1019-F1045 HydrophobicContact CB-CG 4.13Å; H1019-F1045 HydrophobicContact CB-CZ 3.79Å; H1019-F1045 AromaticContact CD2-CE2 3.98Å; H1019-F1045 AromaticContact CD2-CZ 3.69Å; H1019-F1045 AromaticContact CG-CE1 3.64Å; H1019-F1045 AromaticContact CG-CE2 3.9Å; H1019-F1045 AromaticContact CG-CZ 3.4Å; H1019-F1045 AromaticContact ND1-CE1 3.7Å; H1019-F1045 AromaticContact ND1-CZ 3.7Å | ||
| 1020 | R | 90.2 | Very high | 90.5 | Very high | 163 Ų | 163 | 64.7 Ų | 64.7 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | trans | -138.8 | 152.8 | -177.3 | 53.5 | -175 | -78.8 | 165.8 | -5.9 | 110.9 | ||||
| 1021 | L | 89.4 | Confident | 90.8 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | trans | -115 | 148.9 | 164 | -63.8 | 176 | 0 | 0 | 0 | 107.3 | K986 S992 T1025 I1029 Y1054 | K986-L1021 HydrophobicContact CD-CB 4.1Å; K986-L1021 HydrophobicContact CD-CD1 4.45Å; S992-L1021 PolarHBondContact OG-N 3.14Å; S992-L1021 PolarHBondContact OG-O 3.35Å; L1021-T1025 HydrophobicContact CB-CG2 4.43Å; L1021-T1025 HydrophobicContact CD2-CG2 4.32Å; L1021-I1029 HydrophobicContact CB-CD1 4.23Å; L1021-I1029 HydrophobicContact CD1-CD1 4.14Å; L1021-I1029 HydrophobicContact CD1-CG1 3.74Å; L1021-I1029 HydrophobicContact CG-CD1 4.11Å; L1021-I1029 HydrophobicContact CG-CG1 3.97Å; L1021-Y1054 HydrophobicContact CD2-CE1 4.31Å; L1021-Y1054 VanDerWaalsContact CD2-OH 3.24Å; L1021-Y1054 WeakPolarHBondContact CD2-OH 3.3Å | ||
| 1022 | D | 85.4 | Confident | 91.1 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | trans | -64.8 | 158.8 | 174.7 | -65.7 | -36.6 | 0 | 0 | 0 | 111.1 | K986 A1024 T1025 | K986-D1022 WeakPolarHBondContact CE-O 3.28Å; K986-D1022 PolarHBondContact NZ-O 3.44Å; K986-D1022 VanDerWaalsContact NZ-O 3.1Å; D1022-A1024 VanDerWaalsContact C-N 3.29Å; D1022-A1024 PolarHBondContact O-N 3.48Å; D1022-T1025 PolarHBondContact O-N 2.91Å | ||
| 1023 | M | 84.2 | Confident | 91.2 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -48.1 | -174.9 | -174.8 | -178 | 73.4 | 0 | 0 | 111.8 | M961 Y964 K986 G989 L991 T1025 | M961-M1023 HydrophobicContact SD-SD 4.15Å; Y964-M1023 HydrophobicContact CD2-CG 4.5Å; Y964-M1023 HydrophobicContact CD2-SD 3.44Å; Y964-M1023 WeakPolarHBondContact CD2-SD 3.34Å; Y964-M1023 HydrophobicContact CE2-CG 4.07Å; Y964-M1023 HydrophobicContact CE2-SD 3.57Å; Y964-M1023 VanDerWaalsContact CE2-SD 3.57Å; K986-M1023 PolarHBondContact NZ-O 3.28Å; G989-M1023 PolarHBondContact N-O 3.43Å; L991-M1023 HydrophobicContact CD2-CB 3.9Å; L991-M1023 HydrophobicContact CD2-CG 4.15Å; L991-M1023 HydrophobicContact CD2-SD 4.37Å; L991-M1023 HydrophobicContact CG-CG 4.38Å; M1023-T1025 VanDerWaalsContact C-N 3.29Å; M1023-T1025 PolarHBondContact O-N 3.49Å |
| 1024 | A | 84.4 | Confident | 91.3 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 58% | 0.579 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S988 D1022 S1026 | S988-A1024 WeakPolarHBondContact CB-O 3.41Å; S988-A1024 PolarHBondContact OG-O 3.11Å; D1022-A1024 VanDerWaalsContact C-N 3.29Å; D1022-A1024 PolarHBondContact O-N 3.48Å; A1024-S1026 PolarHBondContact O-N 3.42Å |
| 1025 | T | 88.4 | Confident | 91.3 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | trans | -84.7 | 116.4 | -177.5 | -50.1 | 0 | 0 | 0 | 0 | 110.3 | K986 L1021 D1022 M1023 Y1054 | K986-T1025 PolarHBondContact NZ-O 3.21Å; L1021-T1025 HydrophobicContact CB-CG2 4.43Å; L1021-T1025 HydrophobicContact CD2-CG2 4.32Å; D1022-T1025 PolarHBondContact O-N 2.91Å; M1023-T1025 VanDerWaalsContact C-N 3.29Å; M1023-T1025 PolarHBondContact O-N 3.49Å; T1025-Y1054 HydrophobicContact CG2-CE1 4.23Å | ||
| 1026 | S | 91.7 | Very high | 91.2 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | trans | -79.6 | 157.6 | 167.9 | 59.5 | 0 | 0 | 0 | 0 | 111 | K986 A1024 | K986-S1026 CarbonylContact O-C 3.44Å; K986-S1026 WeakPolarHBondContact O-CA 3.4Å; K986-S1026 WeakPolarHBondContact O-CB 3.37Å; A1024-S1026 PolarHBondContact O-N 3.42Å | ||
| 1027 | G | 93.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.9 | -166.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | K986 | K986-G1027 PolarHBondContact N-O 3.41Å; K986-G1027 PolarHBondContact O-N 3.04Å |
| 1028 | V | 94.8 | Very high | 91.3 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126 | -172 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | L975 V983 V984 | L975-V1028 HydrophobicContact CD1-CG1 4.26Å; L975-V1028 HydrophobicContact CD1-CG2 3.9Å; V983-V1028 HydrophobicContact CG1-CG1 3.3Å; V984-V1028 WeakPolarHBondContact O-CA 3.13Å |
| 1029 | I | 95.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.7 | 171.3 | -68.8 | -172.4 | 0 | 0 | 0 | 110.4 | V983 V984 K986 S992 H1019 L1021 V1031 | V983-I1029 CarbonylContact C-O 3.59Å; V983-I1029 WeakPolarHBondContact CA-O 3.35Å; V984-I1029 HydrophobicContact CG2-CB 3.95Å; V984-I1029 HydrophobicContact CG2-CG2 4.34Å; V984-I1029 PolarHBondContact N-O 2.93Å; V984-I1029 PolarHBondContact O-N 3.06Å; K986-I1029 HydrophobicContact CB-CD1 3.92Å; K986-I1029 HydrophobicContact CB-CG1 4.22Å; K986-I1029 HydrophobicContact CD-CD1 3.42Å; K986-I1029 VanDerWaalsContact CD-CD1 3.42Å; K986-I1029 HydrophobicContact CD-CG1 4.41Å; K986-I1029 HydrophobicContact CG-CD1 4.21Å; S992-I1029 WeakPolarHBondContact OG-CD1 3.21Å; H1019-I1029 WeakPolarHBondContact NE2-CA 3.46Å; L1021-I1029 HydrophobicContact CB-CD1 4.23Å; L1021-I1029 HydrophobicContact CD1-CD1 4.14Å; L1021-I1029 HydrophobicContact CD1-CG1 3.74Å; L1021-I1029 HydrophobicContact CG-CD1 4.11Å; L1021-I1029 HydrophobicContact CG-CG1 3.97Å; I1029-V1031 HydrophobicContact CG2-CG2 3.85Å |
| 1030 | V | 95.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.4 | 164 | -171.1 | 0 | 0 | 0 | 0 | 110 | I981 M982 V983 V1018 H1019 L1041 | I981-V1030 HydrophobicContact CB-CG1 4.24Å; I981-V1030 HydrophobicContact CD1-CG1 4.38Å; I981-V1030 HydrophobicContact CG2-CG1 4.49Å; M982-V1030 CarbonylContact O-C 3.51Å; M982-V1030 WeakPolarHBondContact O-CA 3.37Å; V983-V1030 HydrophobicContact CG1-CG2 4.39Å; V983-V1030 HydrophobicContact CG2-CG1 4.41Å; V983-V1030 HydrophobicContact CG2-CG2 4.09Å; V1018-V1030 HydrophobicContact CG2-CB 4.47Å; V1018-V1030 VanDerWaalsContact CG2-O 3.3Å; V1018-V1030 WeakPolarHBondContact CG2-O 3.44Å; H1019-V1030 PolarHBondContact CD2-O 2.95Å; H1019-V1030 PolarHBondContact NE2-N 3.47Å; V1030-L1041 HydrophobicContact CG1-CD1 3.83Å; V1030-L1041 HydrophobicContact CG1-CD2 4.33Å |
| 1031 | V | 95.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | I981 M982 M1005 I1008 A1015 E1016 I1029 | I981-V1031 CarbonylContact C-O 3.59Å; I981-V1031 WeakPolarHBondContact CA-O 3.5Å; M982-V1031 PolarHBondContact N-O 3.36Å; M982-V1031 PolarHBondContact O-N 3.13Å; M1005-V1031 HydrophobicContact CE-CG1 3.47Å; M1005-V1031 VanDerWaalsContact CE-CG1 3.47Å; M1005-V1031 HydrophobicContact SD-CG1 4.08Å; I1008-V1031 HydrophobicContact CD1-CB 4.15Å; I1008-V1031 HydrophobicContact CD1-CG1 4.27Å; I1008-V1031 HydrophobicContact CD1-CG2 3.64Å; I1008-V1031 HydrophobicContact CG2-CG1 4.42Å; A1015-V1031 HydrophobicContact CB-CG1 4Å; E1016-V1031 WeakPolarHBondContact O-CG1 3.37Å; I1029-V1031 HydrophobicContact CG2-CG2 3.85Å |
| 1032 | A | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1015 E1016 V1018 A1037 E1038 L1041 | A1015-A1032 CarbonylContact C-O 3.56Å; A1015-A1032 WeakPolarHBondContact CA-O 3.5Å; E1016-A1032 PolarHBondContact N-O 3.14Å; E1016-A1032 PolarHBondContact O-N 2.88Å; V1018-A1032 HydrophobicContact CG1-CB 3.82Å; A1032-A1037 HydrophobicContact CB-CB 4.02Å; A1032-E1038 VanDerWaalsContact CB-CA 3.43Å; A1032-E1038 HydrophobicContact CB-CB 3.72Å; A1032-E1038 HydrophobicContact CB-CG 4.5Å; A1032-E1038 VanDerWaalsContact CB-N 3.32Å; A1032-L1041 HydrophobicContact CB-CD1 4.16Å |
| 1033 | L | 94.2 | Very high | 92.1 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -89.8 | -11 | 174.8 | -60.3 | -179.1 | 0 | 0 | 0 | 112.7 | Q977 D978 H980 M982 I1008 Y1012 A1015 | Q977-L1033 HydrophobicContact CG-CD1 4.15Å; D978-L1033 WeakPolarHBondContact O-CD1 3.42Å; H980-L1033 PolarHBondContact O-N 3.47Å; M982-L1033 HydrophobicContact CB-CD1 4.28Å; M982-L1033 HydrophobicContact CB-CD2 4.05Å; M982-L1033 HydrophobicContact CB-CG 4.23Å; M982-L1033 HydrophobicContact CE-CD2 4.42Å; I1008-L1033 HydrophobicContact CG2-CD2 4.47Å; Y1012-L1033 HydrophobicContact CD1-CD2 4.19Å; Y1012-L1033 HydrophobicContact CG-CD2 4.04Å; A1015-L1033 HydrophobicContact CB-CD2 3.91Å |
| 1034 | T | 89.5 | Confident | 92.7 | Very high | 43 Ų | 43 | 53.5 Ų | 53.5 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -136.2 | 150.5 | 179.4 | 67.4 | 0 | 0 | 0 | 0 | 111 | A1036 A1037 E1038 | T1034-A1036 PolarHBondContact O-N 3.31Å; T1034-A1037 PolarHBondContact O-N 3.49Å; T1034-A1037 VanDerWaalsContact O-N 3.13Å; T1034-A1037 WeakPolarHBondContact OG1-CB 3.35Å; T1034-A1037 PolarHBondContact OG1-N 3.42Å; T1034-E1038 PolarHBondContact O-N 3.43Å |
| 1035 | K | 88 | Confident | 93.1 | Very high | 122 Ų | 122 | 52.2 Ų | 52.2 | 53% | 0.53 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.2 | -29.8 | 175.7 | -70 | -143.6 | 175.6 | -158.5 | 0 | 114.3 | R1039 | K1035-R1039 WeakPolarHBondContact O-CG 3.39Å; K1035-R1039 PolarHBondContact O-N 2.91Å; K1035-R1039 VanDerWaalsContact O-N 3.12Å |
| 1036 | A | 88.2 | Confident | 93.1 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.7 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1034 E1038 E1040 | T1034-A1036 PolarHBondContact O-N 3.31Å; A1036-E1038 VanDerWaalsContact C-N 3.35Å; A1036-E1040 PolarHBondContact O-N 3.44Å |
| 1037 | A | 93.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 61 Ų | 61 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | H980 I981 A1032 T1034 E1040 L1041 | H980-A1037 HydrophobicContact CB-CB 4.06Å; H980-A1037 WeakPolarHBondContact O-CB 3.46Å; I981-A1037 HydrophobicContact CG2-CB 4.14Å; A1032-A1037 HydrophobicContact CB-CB 4.02Å; T1034-A1037 PolarHBondContact O-N 3.49Å; T1034-A1037 VanDerWaalsContact O-N 3.13Å; T1034-A1037 WeakPolarHBondContact OG1-CB 3.35Å; T1034-A1037 PolarHBondContact OG1-N 3.42Å; A1037-E1040 PolarHBondContact O-N 2.88Å; A1037-L1041 VanDerWaalsContact O-CB 3.26Å; A1037-L1041 WeakPolarHBondContact O-CB 3.49Å; A1037-L1041 VanDerWaalsContact O-CG 3.31Å; A1037-L1041 WeakPolarHBondContact O-CG 3.33Å; A1037-L1041 PolarHBondContact O-N 3.17Å |
| 1038 | E | 95.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 12% | 0.121 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.4 | -50.6 | 177.3 | -175.3 | -149.2 | 157.4 | 0 | 0 | 111.6 | E1016 V1018 A1032 T1034 A1036 E1040 K1042 | E1016-E1038 HydrophobicContact CB-CB 4.33Å; E1016-E1038 HydrophobicContact CB-CG 3.77Å; E1016-E1038 HydrophobicContact CG-CG 4.41Å; V1018-E1038 HydrophobicContact CG1-CG 4.35Å; A1032-E1038 VanDerWaalsContact CB-CA 3.43Å; A1032-E1038 HydrophobicContact CB-CB 3.72Å; A1032-E1038 HydrophobicContact CB-CG 4.5Å; A1032-E1038 VanDerWaalsContact CB-N 3.32Å; T1034-E1038 PolarHBondContact O-N 3.43Å; A1036-E1038 VanDerWaalsContact C-N 3.35Å; E1038-E1040 PolarHBondContact O-N 3.25Å; E1038-K1042 HydrophobicContact CG-CD 4.1Å; E1038-K1042 VanDerWaalsContact O-CB 3.29Å; E1038-K1042 WeakPolarHBondContact O-CB 3.19Å; E1038-K1042 WeakPolarHBondContact O-CG 3.45Å; E1038-K1042 PolarHBondContact O-N 3.06Å; E1038-K1042 WeakPolarHBondContact OE1-CE 3.46Å; E1038-K1042 IonicContact OE1-NZ 2.99Å; E1038-K1042 PolarHBondContact OE1-NZ 3.19Å |
| 1039 | R | 89.8 | Confident | 92.7 | Very high | 187 Ų | 187 | 71.8 Ų | 71.8 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.9 | -45.5 | 179.1 | -74.2 | 174.5 | 179.7 | 179.1 | -0.7 | 111.8 | K1035 R1043 | K1035-R1039 WeakPolarHBondContact O-CG 3.39Å; K1035-R1039 PolarHBondContact O-N 2.91Å; K1035-R1039 VanDerWaalsContact O-N 3.12Å; R1039-R1043 PolarHBondContact O-N 3.11Å; R1039-R1043 VanDerWaalsContact O-N 3.09Å |
| 1040 | E | 95.2 | Very high | 92.5 | Very high | 79 Ų | 79 | 73.6 Ų | 73.6 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.1 | -44.5 | -178.7 | -179.7 | 51.4 | -149.3 | 0 | 0 | 111.8 | A1036 A1037 E1038 R1043 Q1044 | A1036-E1040 PolarHBondContact O-N 3.44Å; A1037-E1040 PolarHBondContact O-N 2.88Å; E1038-E1040 PolarHBondContact O-N 3.25Å; E1040-R1043 VanDerWaalsContact O-CB 3.32Å; E1040-R1043 WeakPolarHBondContact O-CB 3.35Å; E1040-R1043 PolarHBondContact O-N 3.31Å; E1040-R1043 IonicContact OE1-CZ 3.16Å; E1040-R1043 IonicContact OE1-NE 3.29Å; E1040-R1043 PolarHBondContact OE1-NE 3.38Å; E1040-R1043 IonicContact OE1-NH2 2.68Å; E1040-R1043 PolarHBondContact OE1-NH2 2.86Å; E1040-R1043 IonicContact OE2-NE 2.73Å; E1040-R1043 PolarHBondContact OE2-NE 2.88Å; E1040-Q1044 WeakPolarHBondContact O-CG 3.36Å; E1040-Q1044 PolarHBondContact O-N 2.92Å; E1040-Q1044 PolarHBondContact OE1-NE2 3.12Å |
| 1041 | L | 94.9 | Very high | 92.3 | Very high | 20 Ų | 20 | 81.9 Ų | 81.9 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 177 | -75 | 169.1 | 0 | 0 | 0 | 112.1 | I981 V1018 V1030 A1032 A1037 R1043 Q1044 F1045 | I981-L1041 HydrophobicContact CG2-CD1 3.65Å; V1018-L1041 HydrophobicContact CB-CB 3.88Å; V1018-L1041 HydrophobicContact CG1-CB 3.7Å; V1018-L1041 HydrophobicContact CG1-CD1 4.05Å; V1018-L1041 HydrophobicContact CG2-CB 4.04Å; V1018-L1041 HydrophobicContact CG2-CD1 4.14Å; V1030-L1041 HydrophobicContact CG1-CD1 3.83Å; V1030-L1041 HydrophobicContact CG1-CD2 4.33Å; A1032-L1041 HydrophobicContact CB-CD1 4.16Å; A1037-L1041 VanDerWaalsContact O-CB 3.26Å; A1037-L1041 WeakPolarHBondContact O-CB 3.49Å; A1037-L1041 VanDerWaalsContact O-CG 3.31Å; A1037-L1041 WeakPolarHBondContact O-CG 3.33Å; A1037-L1041 PolarHBondContact O-N 3.17Å; L1041-R1043 PolarHBondContact O-N 3.29Å; L1041-Q1044 PolarHBondContact O-N 3.37Å; L1041-Q1044 VanDerWaalsContact O-N 3.14Å; L1041-F1045 VanDerWaalsContact O-CD2 3.29Å; L1041-F1045 WeakPolarHBondContact O-CD2 3.49Å; L1041-F1045 PolarHBondContact O-N 3.25Å |
| 1042 | K | 93.7 | Very high | 92 | Very high | 79 Ų | 79 | 87.1 Ų | 87.1 | 34% | 0.343 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 174.5 | -77.7 | -179.3 | 176.3 | 174.2 | 0 | 111.6 | S1017 V1018 E1038 R1046 | S1017-K1042 VanDerWaalsContact O-CE 3.23Å; S1017-K1042 WeakPolarHBondContact O-CE 3.22Å; V1018-K1042 HydrophobicContact CB-CG 4.26Å; V1018-K1042 HydrophobicContact CG1-CG 4.3Å; E1038-K1042 HydrophobicContact CG-CD 4.1Å; E1038-K1042 VanDerWaalsContact O-CB 3.29Å; E1038-K1042 WeakPolarHBondContact O-CB 3.19Å; E1038-K1042 WeakPolarHBondContact O-CG 3.45Å; E1038-K1042 PolarHBondContact O-N 3.06Å; E1038-K1042 WeakPolarHBondContact OE1-CE 3.46Å; E1038-K1042 IonicContact OE1-NZ 2.99Å; E1038-K1042 PolarHBondContact OE1-NZ 3.19Å; K1042-R1046 VanDerWaalsContact O-CB 3.27Å; K1042-R1046 WeakPolarHBondContact O-CB 3.23Å; K1042-R1046 PolarHBondContact O-N 3.08Å; K1042-R1046 VanDerWaalsContact O-N 3.09Å |
| 1043 | R | 94.6 | Very high | 91.9 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 171.1 | -171.4 | -158.3 | 69.5 | 71.4 | 3 | 110.5 | R1039 E1040 L1041 F1045 R1046 E1047 E1049 | R1039-R1043 PolarHBondContact O-N 3.11Å; R1039-R1043 VanDerWaalsContact O-N 3.09Å; E1040-R1043 VanDerWaalsContact O-CB 3.32Å; E1040-R1043 WeakPolarHBondContact O-CB 3.35Å; E1040-R1043 PolarHBondContact O-N 3.31Å; E1040-R1043 IonicContact OE1-CZ 3.16Å; E1040-R1043 IonicContact OE1-NE 3.29Å; E1040-R1043 PolarHBondContact OE1-NE 3.38Å; E1040-R1043 IonicContact OE1-NH2 2.68Å; E1040-R1043 PolarHBondContact OE1-NH2 2.86Å; E1040-R1043 IonicContact OE2-NE 2.73Å; E1040-R1043 PolarHBondContact OE2-NE 2.88Å; L1041-R1043 PolarHBondContact O-N 3.29Å; R1043-F1045 PolarHBondContact O-N 2.95Å; R1043-R1046 WeakPolarHBondContact O-CB 3.39Å; R1043-R1046 PolarHBondContact O-N 3.21Å; R1043-R1046 VanDerWaalsContact O-N 3.12Å; R1043-E1047 HydrophobicContact CG-CG 4.39Å; R1043-E1047 WeakPolarHBondContact O-CG 3.15Å; R1043-E1047 PolarHBondContact O-N 3.07Å; R1043-E1049 IonicContact CZ-OE1 2.69Å; R1043-E1049 VanDerWaalsContact CZ-OE1 3.24Å; R1043-E1049 IonicContact NH1-OE1 3.3Å; R1043-E1049 PolarHBondContact NH1-OE1 3.34Å; R1043-E1049 IonicContact NH2-OE1 3.51Å; R1043-E1049 PolarHBondContact NH2-OE1 3.38Å; R1043-E1049 IonicContact NH2-OE2 3.68Å; R1043-E1049 PolarHBondContact NH2-OE2 2.85Å |
| 1044 | Q | 95.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.3 | -45.8 | -179.8 | -68.2 | 178.7 | 17.1 | 0 | 0 | 112.5 | E1040 L1041 E1047 R1048 E1049 P1050 | E1040-Q1044 WeakPolarHBondContact O-CG 3.36Å; E1040-Q1044 PolarHBondContact O-N 2.92Å; E1040-Q1044 PolarHBondContact OE1-NE2 3.12Å; L1041-Q1044 PolarHBondContact O-N 3.37Å; L1041-Q1044 VanDerWaalsContact O-N 3.14Å; Q1044-E1047 CarbonylContact O-C 3.57Å; Q1044-E1047 PolarHBondContact O-N 3.46Å; Q1044-R1048 PolarHBondContact O-N 3.33Å; Q1044-R1048 VanDerWaalsContact O-N 3.08Å; Q1044-E1049 HydrophobicContact CB-CB 4.34Å; Q1044-E1049 WeakPolarHBondContact CG-OE2 3.43Å; Q1044-E1049 PolarHBondContact O-N 3.05Å; Q1044-P1050 HydrophobicContact CB-CG 4.2Å; Q1044-P1050 WeakPolarHBondContact O-CD 3.31Å |
| 1045 | F | 92.7 | Very high | 91.6 | Very high | 44 Ų | 44 | 107.3 Ų | 107.3 | 19% | 0.193 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 176.5 | -83.6 | -74.2 | 0 | 0 | 0 | 112.8 | V1018 H1019 L1041 R1043 R1048 P1050 | V1018-F1045 HydrophobicContact CB-CD2 4.38Å; V1018-F1045 HydrophobicContact CB-CE2 4.46Å; V1018-F1045 HydrophobicContact CG2-CD2 4.13Å; V1018-F1045 HydrophobicContact CG2-CE2 3.73Å; H1019-F1045 HydrophobicContact CB-CD1 3.93Å; H1019-F1045 HydrophobicContact CB-CD2 4.15Å; H1019-F1045 HydrophobicContact CB-CE1 3.75Å; H1019-F1045 HydrophobicContact CB-CE2 4Å; H1019-F1045 HydrophobicContact CB-CG 4.13Å; H1019-F1045 HydrophobicContact CB-CZ 3.79Å; H1019-F1045 AromaticContact CD2-CE2 3.98Å; H1019-F1045 AromaticContact CD2-CZ 3.69Å; H1019-F1045 AromaticContact CG-CE1 3.64Å; H1019-F1045 AromaticContact CG-CE2 3.9Å; H1019-F1045 AromaticContact CG-CZ 3.4Å; H1019-F1045 AromaticContact ND1-CE1 3.7Å; H1019-F1045 AromaticContact ND1-CZ 3.7Å; L1041-F1045 VanDerWaalsContact O-CD2 3.29Å; L1041-F1045 WeakPolarHBondContact O-CD2 3.49Å; L1041-F1045 PolarHBondContact O-N 3.25Å; R1043-F1045 PolarHBondContact O-N 2.95Å; F1045-R1048 PolarHBondContact O-N 3.29Å; F1045-P1050 HydrophobicContact CD1-CB 4.47Å; F1045-P1050 HydrophobicContact CD1-CG 4.06Å; F1045-P1050 HydrophobicContact CD2-CG 4.48Å; F1045-P1050 HydrophobicContact CE1-CB 4.15Å; F1045-P1050 HydrophobicContact CE1-CG 4.09Å; F1045-P1050 HydrophobicContact CE2-CG 4.49Å; F1045-P1050 HydrophobicContact CG-CG 4.26Å; F1045-P1050 HydrophobicContact CZ-CB 4.49Å; F1045-P1050 HydrophobicContact CZ-CG 4.3Å |
| 1046 | R | 88.5 | Confident | 91.5 | Very high | 187 Ų | 187 | 105.1 Ų | 105.1 | 71% | 0.706 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -44.6 | 175.8 | -174 | -169.6 | -51.6 | 174.8 | 2.8 | 111.7 | K1042 R1043 R1048 | K1042-R1046 VanDerWaalsContact O-CB 3.27Å; K1042-R1046 WeakPolarHBondContact O-CB 3.23Å; K1042-R1046 PolarHBondContact O-N 3.08Å; K1042-R1046 VanDerWaalsContact O-N 3.09Å; R1043-R1046 WeakPolarHBondContact O-CB 3.39Å; R1043-R1046 PolarHBondContact O-N 3.21Å; R1043-R1046 VanDerWaalsContact O-N 3.12Å; R1046-R1048 PolarHBondContact O-N 2.67Å |
| 1047 | E | 88.9 | Confident | 91.3 | Very high | 115 Ų | 115 | 113.8 Ų | 113.8 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 4.9 | 176.9 | -57.1 | -52.5 | 141.8 | 0 | 0 | 113 | R1043 Q1044 E1049 | R1043-E1047 HydrophobicContact CG-CG 4.39Å; R1043-E1047 WeakPolarHBondContact O-CG 3.15Å; R1043-E1047 PolarHBondContact O-N 3.07Å; Q1044-E1047 CarbonylContact O-C 3.57Å; Q1044-E1047 PolarHBondContact O-N 3.46Å; E1047-E1049 HydrophobicContact CB-CG 4.16Å; E1047-E1049 PolarHBondContact O-N 3.03Å; E1047-E1049 VanDerWaalsContact O-N 3.14Å |
| 1048 | R | 89.6 | Confident | 90.8 | Very high | 222 Ų | 222 | 117.6 Ų | 117.6 | 84% | 0.838 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 29.9 | -178.9 | -56.6 | -178.1 | 177.9 | -174.3 | -0.6 | 114 | Q1044 F1045 R1046 | Q1044-R1048 PolarHBondContact O-N 3.33Å; Q1044-R1048 VanDerWaalsContact O-N 3.08Å; F1045-R1048 PolarHBondContact O-N 3.29Å; R1046-R1048 PolarHBondContact O-N 2.67Å |
| 1049 | E | 93.5 | Very high | 90.2 | Very high | 101 Ų | 101 | 129 Ų | 129 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | trans | -64.6 | -40.6 | 176.4 | -66.3 | 177.2 | -160 | 0 | 0 | 113 | R1043 Q1044 E1047 K1051 | R1043-E1049 IonicContact CZ-OE1 2.69Å; R1043-E1049 VanDerWaalsContact CZ-OE1 3.24Å; R1043-E1049 IonicContact NH1-OE1 3.3Å; R1043-E1049 PolarHBondContact NH1-OE1 3.34Å; R1043-E1049 IonicContact NH2-OE1 3.51Å; R1043-E1049 PolarHBondContact NH2-OE1 3.38Å; R1043-E1049 IonicContact NH2-OE2 3.68Å; R1043-E1049 PolarHBondContact NH2-OE2 2.85Å; Q1044-E1049 HydrophobicContact CB-CB 4.34Å; Q1044-E1049 WeakPolarHBondContact CG-OE2 3.43Å; Q1044-E1049 PolarHBondContact O-N 3.05Å; E1047-E1049 HydrophobicContact CB-CG 4.16Å; E1047-E1049 PolarHBondContact O-N 3.03Å; E1047-E1049 VanDerWaalsContact O-N 3.14Å; E1049-K1051 PolarHBondContact O-N 3.43Å | ||
| 1050 | P | 91.8 | Very high | 89.9 | Confident | 42 Ų | 42 | 122.3 Ų | 122.3 | 27% | 0.273 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -68.6 | 125.5 | 176.1 | -20 | 33.5 | 0 | 0 | 0 | 111.6 | Q1044 F1045 | Q1044-P1050 HydrophobicContact CB-CG 4.2Å; Q1044-P1050 WeakPolarHBondContact O-CD 3.31Å; F1045-P1050 HydrophobicContact CD1-CB 4.47Å; F1045-P1050 HydrophobicContact CD1-CG 4.06Å; F1045-P1050 HydrophobicContact CD2-CG 4.48Å; F1045-P1050 HydrophobicContact CE1-CB 4.15Å; F1045-P1050 HydrophobicContact CE1-CG 4.09Å; F1045-P1050 HydrophobicContact CE2-CG 4.49Å; F1045-P1050 HydrophobicContact CG-CG 4.26Å; F1045-P1050 HydrophobicContact CZ-CB 4.49Å; F1045-P1050 HydrophobicContact CZ-CG 4.3Å |
| 1051 | K | 91.4 | Very high | 89.2 | Confident | 204 Ų | 204 | 127.7 Ų | 127.7 | 89% | 0.887 | 59% | 0.588 | S | S | * | * | trans | -89.2 | 133.2 | 171 | -62.7 | -174.3 | 179.8 | -175.1 | 0 | 110.1 | E1049 | E1049-K1051 PolarHBondContact O-N 3.43Š| ||
| 1052 | K | 89.4 | Confident | 88.4 | Confident | 113 Ų | 113 | 131.3 Ų | 131.3 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | trans | -111.9 | 136.6 | 179.3 | -56.8 | 178.6 | -174.7 | -179.7 | 0 | 109.6 | Y1054 | K1052-Y1054 HydrophobicContact CB-CD2 4.42Å; K1052-Y1054 HydrophobicContact CB-CE2 3.73Å; K1052-Y1054 HydrophobicContact CD-CE2 4.28Å | ||
| 1053 | Q | 90.8 | Very high | 87.6 | Confident | 196 Ų | 196 | 133.5 Ų | 133.5 | 92% | 0.916 | 64% | 0.638 | S | S | * | * | trans | -124.3 | 129 | 173.4 | -71.7 | -178.7 | -27.4 | 0 | 0 | 108.4 | ||||
| 1054 | Y | 89 | Confident | 87.1 | Confident | 134 Ų | 134 | 133.6 Ų | 133.6 | 53% | 0.525 | 65% | 0.649 | S | S | . | * | trans | -117.5 | 140.2 | 178 | -67.2 | -91.1 | 0 | 0 | 0 | 109.4 | L1021 T1025 K1052 | L1021-Y1054 HydrophobicContact CD2-CE1 4.31Å; L1021-Y1054 VanDerWaalsContact CD2-OH 3.24Å; L1021-Y1054 WeakPolarHBondContact CD2-OH 3.3Å; T1025-Y1054 HydrophobicContact CG2-CE1 4.23Å; K1052-Y1054 HydrophobicContact CB-CD2 4.42Å; K1052-Y1054 HydrophobicContact CB-CE2 3.73Å; K1052-Y1054 HydrophobicContact CD-CE2 4.28Å | ||
| 1055 | V | 89.7 | Confident | 86.5 | Confident | 156 Ų | 156 | 136.5 Ų | 136.5 | 95% | 0.945 | 68% | 0.683 | S | S | * | * | trans | -98.4 | 113 | 165.4 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1056 | A | 86.2 | Confident | 86.3 | Confident | 77 Ų | 77 | 142.9 Ų | 142.9 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | -114.8 | 139 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V1058 | A1056-V1058 HydrophobicContact CB-CG1 4.45Š| ||
| 1057 | R | 83.3 | Confident | 86.2 | Confident | 254 Ų | 254 | 137.6 Ų | 137.6 | 96% | 0.958 | 72% | 0.718 | S | S | * | * | trans | -84.5 | 112 | 161.9 | -176.6 | 177.6 | -178.2 | 177.6 | -0.5 | 106.9 | ||||
| 1058 | V | 82.8 | Confident | 86.1 | Confident | 93 Ų | 93 | 139.3 Ų | 139.3 | 56% | 0.564 | 73% | 0.73 | S | S | * | * | trans | -92.3 | 152 | 178 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | A1056 P1062 | A1056-V1058 HydrophobicContact CB-CG1 4.45Å; V1058-P1062 HydrophobicContact CG2-CG 4.24Å | ||
| 1059 | W | 82 | Confident | 85.7 | Confident | 265 Ų | 265 | 134.7 Ų | 134.7 | 100% | 1.004 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -94.2 | 127.5 | 167.6 | -172.3 | 85.2 | 0 | 0 | 0 | 107.7 | ||
| 1060 | G | 83.8 | Confident | 85.3 | Confident | 47 Ų | 47 | 136.5 Ų | 136.5 | 49% | 0.485 | 74% | 0.739 | S | S | . | * | S | Bend | trans | 101 | 172.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1061 | H | 80.5 | Confident | 84.9 | Confident | 192 Ų | 192 | 138.7 Ų | 138.7 | 89% | 0.889 | 75% | 0.748 | S | S | * | * | trans | -117.2 | 97.9 | 178.7 | -71.3 | -73.9 | 0 | 0 | 0 | 110.2 | S1063 | H1061-S1063 PolarHBondContact O-N 2.84Š| ||
| 1062 | P | 77.7 | Confident | 84.4 | Confident | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 72% | 0.719 | S | S | * | * | trans | -56.4 | 123.5 | 173.4 | -20.5 | 30.9 | 0 | 0 | 0 | 110 | V1058 | V1058-P1062 HydrophobicContact CG2-CG 4.24Š| ||
| 1063 | S | 77.9 | Confident | 83.8 | Confident | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -67.3 | -41.1 | -173.6 | -161 | 0 | 0 | 0 | 0 | 113.8 | H1061 | H1061-S1063 PolarHBondContact O-N 2.84Š|
| 1064 | P | 83.7 | Confident | 83.3 | Confident | 86 Ų | 86 | 123.5 Ų | 123.5 | 56% | 0.558 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -85.9 | 146.6 | 168.5 | 34.4 | -33.1 | 0 | 0 | 0 | 111.4 | E1066 | P1064-E1066 WeakPolarHBondContact CB-O 3.22Å; P1064-E1066 PolarHBondContact O-N 3.13Å |
| 1065 | A | 83.8 | Confident | 82.3 | Confident | 118 Ų | 118 | 118.8 Ų | 118.8 | 98% | 0.975 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -68.2 | -20.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1066 | E | 87.2 | Confident | 81.5 | Confident | 177 Ų | 177 | 112.4 Ų | 112.4 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -144.5 | 151.2 | 173.8 | 62.4 | -178.4 | -171.3 | 0 | 0 | 109.6 | P1064 | P1064-E1066 WeakPolarHBondContact CB-O 3.22Å; P1064-E1066 PolarHBondContact O-N 3.13Å |
| 1067 | G | 87.3 | Confident | 80.5 | Confident | 77 Ų | 77 | 116.8 Ų | 116.8 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | trans | -171.5 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1068 | L | 86.6 | Confident | 79.1 | Confident | 150 Ų | 150 | 108.6 Ų | 108.6 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -119.3 | 129 | 175.1 | 177.8 | 68.8 | 0 | 0 | 0 | 108.4 | D1070 | L1068-D1070 HydrophobicContact CD2-CB 4.22Å; L1068-D1070 HydrophobicContact CG-CB 4.23Å | ||
| 1069 | V | 81.9 | Confident | 77.8 | Confident | 125 Ų | 125 | 107.6 Ų | 107.6 | 76% | 0.758 | 61% | 0.608 | S | S | * | * | trans | -104.6 | 105.8 | 167.1 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | L1071 | V1069-L1071 HydrophobicContact CG1-CB 4.4Å; V1069-L1071 HydrophobicContact CG1-CD1 3.87Å; V1069-L1071 HydrophobicContact CG1-CG 4.12Å | ||
| 1070 | D | 84.9 | Confident | 76.5 | Confident | 140 Ų | 140 | 100.7 Ų | 100.7 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | trans | -115 | 79.2 | 178.9 | -164.6 | 16.3 | 0 | 0 | 0 | 108.6 | L1068 | L1068-D1070 HydrophobicContact CD2-CB 4.22Å; L1068-D1070 HydrophobicContact CG-CB 4.23Å | ||
| 1071 | L | 83.2 | Confident | 75.4 | Confident | 88 Ų | 88 | 104.1 Ų | 104.1 | 46% | 0.461 | 60% | 0.595 | S | S | . | * | trans | -129.2 | 141.7 | -176.3 | -67.6 | 172.6 | 0 | 0 | 0 | 109.5 | V1069 L1073 V1085 | V1069-L1071 HydrophobicContact CG1-CB 4.4Å; V1069-L1071 HydrophobicContact CG1-CD1 3.87Å; V1069-L1071 HydrophobicContact CG1-CG 4.12Å; L1071-L1073 PolarHBondContact O-N 3.2Å; L1071-V1085 HydrophobicContact CB-CG1 3.98Å; L1071-V1085 HydrophobicContact CB-CG2 4.25Å; L1071-V1085 HydrophobicContact CD1-CG1 4.09Å; L1071-V1085 HydrophobicContact CD1-CG2 4.11Å; L1071-V1085 HydrophobicContact CG-CG1 4.45Å | ||
| 1072 | P | 79.9 | Confident | 74.9 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 28% | 0.279 | 58% | 0.581 | S | S | . | * | trans | -68.9 | 131.9 | 178.1 | 29.5 | -34.5 | 0 | 0 | 0 | 110 | V1085 C1086 | P1072-V1085 WeakPolarHBondContact O-CA 3.39Å; P1072-C1086 HydrophobicContact CG-CB 4.47Å; P1072-C1086 VanDerWaalsContact CG-O 3.31Å; P1072-C1086 WeakPolarHBondContact CG-O 3.43Å; P1072-C1086 PolarHBondContact O-N 3.02Å | ||
| 1073 | L | 78.5 | Confident | 74.9 | Confident | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.8 | 176.7 | -68.9 | 173.5 | 0 | 0 | 0 | 109.6 | L1071 K1084 V1085 | L1071-L1073 PolarHBondContact O-N 3.2Å; L1073-K1084 WeakPolarHBondContact CA-O 3.45Å; L1073-V1085 HydrophobicContact CD2-CG2 4.03Å |
| 1074 | I | 78.5 | Confident | 74.9 | Confident | 42 Ų | 42 | 101.7 Ų | 101.7 | 22% | 0.215 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 163.4 | 170.2 | 76.1 | 157.5 | 0 | 0 | 0 | 110.4 | D1076 Q1083 K1084 C1086 C1092 | I1074-D1076 PolarHBondContact O-N 3.39Å; I1074-Q1083 CarbonylContact O-C 3.55Å; I1074-Q1083 WeakPolarHBondContact O-CA 3.3Å; I1074-Q1083 WeakPolarHBondContact O-CB 3.48Å; I1074-K1084 HydrophobicContact CG1-CG 3.92Å; I1074-K1084 PolarHBondContact N-O 2.97Å; I1074-K1084 PolarHBondContact O-N 3.42Å; I1074-C1086 HydrophobicContact CB-CB 4.42Å; I1074-C1086 HydrophobicContact CG1-CB 4.2Å; I1074-C1086 HydrophobicContact CG2-CB 3.5Å; I1074-C1086 VanDerWaalsContact CG2-CB 3.5Å; I1074-C1092 HydrophobicContact CG2-CB 4.3Å |
| 1075 | C | 69.7 | Low | 74.9 | Confident | 36 Ų | 36 | 99.3 Ų | 99.3 | 24% | 0.243 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128 | 166.8 | -164.6 | 0 | 0 | 0 | 0 | 109.2 | W1077 R1080 | C1075-W1077 VanDerWaalsContact C-N 3.25Å; C1075-W1077 PolarHBondContact O-N 3.17Å; C1075-R1080 VanDerWaalsContact SG-CG 3.5Å; C1075-R1080 PolarHBondContact SG-NE 3.46Å |
| 1076 | D | 72.9 | Confident | 74.5 | Confident | 22 Ų | 22 | 94.5 Ų | 94.5 | 12% | 0.118 | 50% | 0.501 | C | S | . | . | trans | -75.4 | 86 | 170.4 | -170.6 | 4.1 | 0 | 0 | 0 | 107.6 | I1074 P1078 N1079 R1080 K1082 K1084 | I1074-D1076 PolarHBondContact O-N 3.39Å; D1076-P1078 VanDerWaalsContact C-CD 3.49Å; D1076-P1078 VanDerWaalsContact C-N 3.34Å; D1076-P1078 WeakPolarHBondContact OD1-CD 3.44Å; D1076-N1079 HydrophobicContact CB-CB 4.35Å; D1076-N1079 CarbonylContact O-C 3.59Å; D1076-N1079 VanDerWaalsContact O-C 3.3Å; D1076-N1079 PolarHBondContact O-N 2.77Å; D1076-N1079 PolarHBondContact OD1-ND2 2.86Å; D1076-N1079 WeakPolarHBondContact OD2-CB 3.48Å; D1076-N1079 PolarHBondContact OD2-ND2 3.39Å; D1076-R1080 PolarHBondContact O-N 3.28Å; D1076-K1082 HydrophobicContact CB-CB 4.11Å; D1076-K1082 WeakPolarHBondContact CB-O 3.32Å; D1076-K1082 PolarHBondContact N-O 2.96Å; D1076-K1084 HydrophobicContact CB-CB 4.2Å; D1076-K1084 HydrophobicContact CB-CD 4.32Å; D1076-K1084 HydrophobicContact CB-CG 4.05Å | ||
| 1077 | W | 64.9 | Low | 73.8 | Confident | 168 Ų | 168 | 95.3 Ų | 95.3 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -51.4 | -44 | -170.6 | -71.6 | 95.8 | 0 | 0 | 0 | 113.9 | C1075 | C1075-W1077 VanDerWaalsContact C-N 3.25Å; C1075-W1077 PolarHBondContact O-N 3.17Å |
| 1078 | P | 53.9 | Low | 72.7 | Confident | 83 Ų | 83 | 99.7 Ų | 99.7 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -37.5 | 172.8 | -21.9 | 33.3 | 0 | 0 | 0 | 113.6 | Q825 D1076 | Q825-P1078 PolarHBondContact OE1-O 2.92Å; D1076-P1078 VanDerWaalsContact C-CD 3.49Å; D1076-P1078 VanDerWaalsContact C-N 3.34Å; D1076-P1078 WeakPolarHBondContact OD1-CD 3.44Å |
| 1079 | N | 54.4 | Low | 70.6 | Confident | 71 Ų | 71 | 97 Ų | 97 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 31.8 | -171.5 | -56.3 | -63.6 | 0 | 0 | 0 | 114.2 | D1076 K1082 | D1076-N1079 HydrophobicContact CB-CB 4.35Å; D1076-N1079 CarbonylContact O-C 3.59Å; D1076-N1079 VanDerWaalsContact O-C 3.3Å; D1076-N1079 PolarHBondContact O-N 2.77Å; D1076-N1079 PolarHBondContact OD1-ND2 2.86Å; D1076-N1079 WeakPolarHBondContact OD2-CB 3.48Å; D1076-N1079 PolarHBondContact OD2-ND2 3.39Å; N1079-K1082 HydrophobicContact CB-CB 4.25Å; N1079-K1082 HydrophobicContact CB-CD 3.97Å; N1079-K1082 HydrophobicContact CB-CG 4.4Å; N1079-K1082 WeakPolarHBondContact O-CB 3.45Å; N1079-K1082 VanDerWaalsContact O-CG 3.27Å; N1079-K1082 WeakPolarHBondContact O-CG 3.39Å; N1079-K1082 PolarHBondContact O-N 3.15Å |
| 1080 | R | 54.7 | Low | 68.7 | Low | 121 Ų | 121 | 100.3 Ų | 100.3 | 46% | 0.457 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 138.7 | 179 | -84.2 | 177.4 | 166.6 | -164.3 | -8.4 | 111.9 | C1075 D1076 | C1075-R1080 VanDerWaalsContact SG-CG 3.5Å; C1075-R1080 PolarHBondContact SG-NE 3.46Å; D1076-R1080 PolarHBondContact O-N 3.28Å |
| 1081 | P | 61 | Low | 66.4 | Low | 119 Ų | 119 | 105.2 Ų | 105.2 | 77% | 0.773 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.9 | 19.5 | 9.8 | 36.9 | -36.8 | 0 | 0 | 0 | 115 | ||
| 1082 | K | 69.9 | Low | 64.1 | Low | 135 Ų | 135 | 106.8 Ų | 106.8 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | trans | -63.7 | 156.5 | -179.1 | -62.5 | -177.8 | -170.9 | 171.6 | 0 | 112 | D1076 N1079 | D1076-K1082 HydrophobicContact CB-CB 4.11Å; D1076-K1082 WeakPolarHBondContact CB-O 3.32Å; D1076-K1082 PolarHBondContact N-O 2.96Å; N1079-K1082 HydrophobicContact CB-CB 4.25Å; N1079-K1082 HydrophobicContact CB-CD 3.97Å; N1079-K1082 HydrophobicContact CB-CG 4.4Å; N1079-K1082 WeakPolarHBondContact O-CB 3.45Å; N1079-K1082 VanDerWaalsContact O-CG 3.27Å; N1079-K1082 WeakPolarHBondContact O-CG 3.39Å; N1079-K1082 PolarHBondContact O-N 3.15Å | ||
| 1083 | Q | 78.4 | Confident | 63.3 | Low | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150 | 170.3 | -64.3 | -164.9 | -5.9 | 0 | 0 | 109.1 | I1074 | I1074-Q1083 CarbonylContact O-C 3.55Å; I1074-Q1083 WeakPolarHBondContact O-CA 3.3Å; I1074-Q1083 WeakPolarHBondContact O-CB 3.48Å |
| 1084 | K | 78.6 | Confident | 62.5 | Low | 98 Ų | 98 | 110.1 Ų | 110.1 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.3 | 176.6 | 65.4 | 173.3 | -174.8 | 173.9 | 0 | 110.7 | L1073 I1074 D1076 | L1073-K1084 WeakPolarHBondContact CA-O 3.45Å; I1074-K1084 HydrophobicContact CG1-CG 3.92Å; I1074-K1084 PolarHBondContact N-O 2.97Å; I1074-K1084 PolarHBondContact O-N 3.42Å; D1076-K1084 HydrophobicContact CB-CB 4.2Å; D1076-K1084 HydrophobicContact CB-CD 4.32Å; D1076-K1084 HydrophobicContact CB-CG 4.05Å |
| 1085 | V | 82.4 | Confident | 61.7 | Low | 36 Ų | 36 | 113.9 Ų | 113.9 | 22% | 0.218 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 132.2 | 167.6 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | L1071 P1072 L1073 Y1087 | L1071-V1085 HydrophobicContact CB-CG1 3.98Å; L1071-V1085 HydrophobicContact CB-CG2 4.25Å; L1071-V1085 HydrophobicContact CD1-CG1 4.09Å; L1071-V1085 HydrophobicContact CD1-CG2 4.11Å; L1071-V1085 HydrophobicContact CG-CG1 4.45Å; P1072-V1085 WeakPolarHBondContact O-CA 3.39Å; L1073-V1085 HydrophobicContact CD2-CG2 4.03Å; V1085-Y1087 HydrophobicContact CB-CE2 3.99Å; V1085-Y1087 HydrophobicContact CG1-CD1 4.14Å; V1085-Y1087 HydrophobicContact CG1-CD2 4.25Å; V1085-Y1087 HydrophobicContact CG1-CE1 3.74Å; V1085-Y1087 HydrophobicContact CG1-CE2 3.85Å; V1085-Y1087 HydrophobicContact CG1-CG 4.39Å |
| 1086 | C | 74.8 | Confident | 61.2 | Low | 18 Ų | 18 | 118.5 Ų | 118.5 | 12% | 0.122 | 57% | 0.566 | C | S | . | * | trans | -94.3 | 116.2 | 172 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | P1072 I1074 | P1072-C1086 HydrophobicContact CG-CB 4.47Å; P1072-C1086 VanDerWaalsContact CG-O 3.31Å; P1072-C1086 WeakPolarHBondContact CG-O 3.43Å; P1072-C1086 PolarHBondContact O-N 3.02Å; I1074-C1086 HydrophobicContact CB-CB 4.42Å; I1074-C1086 HydrophobicContact CG1-CB 4.2Å; I1074-C1086 HydrophobicContact CG2-CB 3.5Å; I1074-C1086 VanDerWaalsContact CG2-CB 3.5Å | ||
| 1087 | Y | 74.5 | Confident | 60.5 | Low | 193 Ų | 193 | 124.5 Ų | 124.5 | 76% | 0.757 | 59% | 0.594 | S | S | * | * | trans | -91.2 | -4.4 | 176.7 | -62 | -80.5 | 0 | 0 | 0 | 112.6 | V1085 | V1085-Y1087 HydrophobicContact CB-CE2 3.99Å; V1085-Y1087 HydrophobicContact CG1-CD1 4.14Å; V1085-Y1087 HydrophobicContact CG1-CD2 4.25Å; V1085-Y1087 HydrophobicContact CG1-CE1 3.74Å; V1085-Y1087 HydrophobicContact CG1-CE2 3.85Å; V1085-Y1087 HydrophobicContact CG1-CG 4.39Å | ||
| 1088 | E | 62.8 | Low | 60.2 | Low | 170 Ų | 170 | 121.6 Ų | 121.6 | 79% | 0.794 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -91.6 | -0.7 | -165.2 | -74 | -175.6 | 173.2 | 0 | 0 | 116 | ||
| 1089 | T | 42.5 | Very low | 60.6 | Low | 92 Ų | 92 | 124.4 Ų | 124.4 | 56% | 0.564 | 60% | 0.595 | S | S | * | * | trans | 166.9 | 158.1 | 159.6 | 27.8 | 0 | 0 | 0 | 0 | 114.1 | W1091 | T1089-W1091 PolarHBondContact O-N 2.7Š| ||
| 1090 | E | 42.8 | Very low | 61.1 | Low | 195 Ų | 195 | 128.5 Ų | 128.5 | 91% | 0.911 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 3.2 | 169.9 | -67.6 | -170.2 | 146 | 0 | 0 | 115.6 | ||
| 1091 | W | 35.9 | Very low | 61.6 | Low | 244 Ų | 244 | 129.1 Ų | 129.1 | 92% | 0.924 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 1.1 | -175.4 | -85.1 | 82.5 | 0 | 0 | 0 | 115.3 | T1089 | T1089-W1091 PolarHBondContact O-N 2.7Š|
| 1092 | C | 36 | Very low | 61.7 | Low | 121 Ų | 121 | 130 Ų | 130 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -91.8 | 0 | 165.9 | -75.6 | 0 | 0 | 0 | 0 | 110.6 | I1074 | I1074-C1092 HydrophobicContact CG2-CB 4.3Š|
Retrieved 1,092 of 1,092 residues in 2668.8 ms
(Link to these results)