| 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 | 52 | Low | 83.1 | Confident | 154 Ų | 154 | 73.5 Ų | 73.5 | 76% | 0.759 | 40% | 0.401 | S | S | * | . | 0 | -51.3 | 0 | -71.5 | -55.5 | -176.3 | 0 | 0 | 112.5 | S3 | M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.01Å | |||
| 2 | S | 60.8 | Low | 84.1 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 49% | 0.49 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -68.1 | -17.6 | -163.7 | -32.5 | 0 | 0 | 0 | 0 | 117.4 | E4 L5 | S2-E4 VanDerWaalsContact C-N 3.28Å; S2-E4 PolarHBondContact O-N 3.35Å; S2-L5 PolarHBondContact O-N 3.43Å; S2-L5 VanDerWaalsContact O-N 3.11Å |
| 3 | S | 69.8 | Low | 85.1 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 84% | 0.839 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -70.3 | -11.5 | -169.5 | 48.2 | 0 | 0 | 0 | 0 | 116.2 | M1 L5 | M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.01Å; S3-L5 VanDerWaalsContact C-N 3.32Å |
| 4 | E | 80.5 | Confident | 85.9 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 25% | 0.248 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -85.9 | -4.5 | 173.6 | -67 | -179.7 | 131.7 | 0 | 0 | 112.5 | S2 R18 K21 I26 W28 K43 | S2-E4 VanDerWaalsContact C-N 3.28Å; S2-E4 PolarHBondContact O-N 3.35Å; E4-R18 IonicContact OE2-NH1 3.55Å; E4-K21 IonicContact OE1-NZ 2.71Å; E4-K21 PolarHBondContact OE1-NZ 3.04Å; E4-I26 HydrophobicContact CG-CD1 4.42Å; E4-I26 WeakPolarHBondContact OE1-CD1 3.47Å; E4-I26 WeakPolarHBondContact OE2-CD1 3.31Å; E4-W28 HydrophobicContact CB-CH2 4.26Å; E4-W28 HydrophobicContact CB-CZ2 3.8Å; E4-K43 PolarHBondContact O-NZ 3.48Å |
| 5 | L | 88.3 | Confident | 86.6 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -121 | 143.6 | -170 | -64.1 | 173.9 | 0 | 0 | 0 | 113 | S2 S3 L10 I15 W28 L41 Y89 | S2-L5 PolarHBondContact O-N 3.43Å; S2-L5 VanDerWaalsContact O-N 3.11Å; S3-L5 VanDerWaalsContact C-N 3.32Å; L5-L10 HydrophobicContact CB-CD2 4.05Å; L5-L10 HydrophobicContact CB-CG 4.31Å; L5-L10 HydrophobicContact CD1-CD2 3.91Å; L5-I15 HydrophobicContact CD1-CB 4.43Å; L5-I15 HydrophobicContact CD1-CD1 3.72Å; L5-I15 HydrophobicContact CD1-CG1 3.59Å; L5-I15 HydrophobicContact CD1-CG2 4.11Å; L5-W28 HydrophobicContact CD1-CD2 4.43Å; L5-W28 HydrophobicContact CD1-CZ2 4.41Å; L5-W28 HydrophobicContact CD2-CD2 4.4Å; L5-W28 HydrophobicContact CD2-CE3 4.01Å; L5-W28 HydrophobicContact CD2-CH2 3.47Å; L5-W28 VanDerWaalsContact CD2-CH2 3.47Å; L5-W28 HydrophobicContact CD2-CZ2 3.88Å; L5-W28 HydrophobicContact CD2-CZ3 3.55Å; L5-W28 HydrophobicContact CG-CH2 4.09Å; L5-W28 HydrophobicContact CG-CZ2 4Å; L5-L41 HydrophobicContact CD2-CD2 4.18Å; L5-Y89 HydrophobicContact CD2-CE1 3.7Å |
| 6 | E | 92.1 | Very high | 87.1 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | trans | -81.9 | 150.9 | -179.6 | -70.3 | 165 | -179.2 | 0 | 0 | 112 | H8 I9 L10 A82 E83 C84 Y89 | E6-H8 VanDerWaalsContact C-N 3.31Å; E6-H8 PolarHBondContact O-N 3.35Å; E6-H8 IonicContact OE2-CE1 3.97Å; E6-H8 PolarHBondContact OE2-CE1 3.14Å; E6-H8 IonicContact OE2-NE2 3.18Å; E6-I9 HydrophobicContact CB-CG1 4.41Å; E6-I9 WeakPolarHBondContact O-CB 3.34Å; E6-I9 PolarHBondContact O-N 3.34Å; E6-L10 PolarHBondContact O-N 3.06Å; E6-A82 WeakPolarHBondContact OE2-CA 3.35Å; E6-A82 WeakPolarHBondContact OE2-CB 3.35Å; E6-E83 PolarHBondContact OE1-N 2.97Å; E6-E83 PolarHBondContact OE2-N 3.45Å; E6-C84 PolarHBondContact OE1-N 2.91Å; E6-Y89 WeakPolarHBondContact CG-OH 3.32Å; E6-Y89 PolarHBondContact N-OH 3.46Å; E6-Y89 VanDerWaalsContact OE2-CE2 3.32Å; E6-Y89 WeakPolarHBondContact OE2-CE2 3.22Å | ||
| 7 | P | 92.3 | Very high | 87.5 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 60% | 0.604 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61 | -34.2 | -171 | -24.8 | 35.5 | 0 | 0 | 0 | 114.3 | I9 L10 K11 | P7-I9 PolarHBondContact O-N 3.4Å; P7-L10 PolarHBondContact O-N 3.42Å; P7-K11 PolarHBondContact O-N 2.83Å |
| 8 | H | 93.3 | Very high | 87.9 | Confident | 46 Ų | 46 | 77.7 Ų | 77.7 | 21% | 0.213 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67 | -22.4 | 177.4 | 75.2 | -26.5 | 0 | 0 | 0 | 113.4 | E6 R12 R81 E83 | E6-H8 VanDerWaalsContact C-N 3.31Å; E6-H8 PolarHBondContact O-N 3.35Å; E6-H8 IonicContact OE2-CE1 3.97Å; E6-H8 PolarHBondContact OE2-CE1 3.14Å; E6-H8 IonicContact OE2-NE2 3.18Å; H8-R12 WeakPolarHBondContact O-CD 3.48Å; H8-R12 WeakPolarHBondContact O-CG 3.41Å; H8-R81 PolarHBondContact NE2-O 2.77Å; H8-E83 IonicContact CD2-OE1 2.79Å; H8-E83 IonicContact CG-OE1 3.21Å; H8-E83 IonicContact ND1-OE1 3.96Å |
| 9 | I | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -76.1 | -47.8 | 171.7 | -54.2 | -52.5 | 0 | 0 | 0 | 109.7 | E6 P7 K11 R12 F13 L41 I80 Y89 | E6-I9 HydrophobicContact CB-CG1 4.41Å; E6-I9 WeakPolarHBondContact O-CB 3.34Å; E6-I9 PolarHBondContact O-N 3.34Å; P7-I9 PolarHBondContact O-N 3.4Å; I9-K11 VanDerWaalsContact C-N 3.26Å; I9-K11 PolarHBondContact O-N 3.21Å; I9-R12 CarbonylContact O-C 3.54Å; I9-R12 WeakPolarHBondContact O-CA 3.49Å; I9-R12 PolarHBondContact O-N 3.41Å; I9-F13 HydrophobicContact CG2-CD2 3.96Å; I9-F13 PolarHBondContact O-N 3.16Å; I9-L41 HydrophobicContact CG2-CD1 4.33Å; I9-L41 HydrophobicContact CG2-CD2 3.63Å; I9-I80 HydrophobicContact CD1-CG2 3.79Å; I9-Y89 HydrophobicContact CD1-CD1 4.18Å; I9-Y89 HydrophobicContact CD1-CD2 3.78Å; I9-Y89 HydrophobicContact CD1-CE1 4.41Å; I9-Y89 HydrophobicContact CD1-CE2 4.04Å; I9-Y89 HydrophobicContact CD1-CG 3.84Å; I9-Y89 HydrophobicContact CG1-CD1 4.09Å; I9-Y89 HydrophobicContact CG1-CD2 4.09Å; I9-Y89 HydrophobicContact CG1-CE1 3.85Å; I9-Y89 HydrophobicContact CG1-CE2 3.85Å; I9-Y89 HydrophobicContact CG1-CG 4.19Å |
| 10 | L | 94.9 | Very high | 87.9 | Confident | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -31.1 | -179.6 | -60.2 | 175.2 | 0 | 0 | 0 | 112.6 | L5 E6 P7 R12 F13 I15 R33 | L5-L10 HydrophobicContact CB-CD2 4.05Å; L5-L10 HydrophobicContact CB-CG 4.31Å; L5-L10 HydrophobicContact CD1-CD2 3.91Å; E6-L10 PolarHBondContact O-N 3.06Å; P7-L10 PolarHBondContact O-N 3.42Å; L10-R12 PolarHBondContact O-N 3.02Å; L10-F13 VanDerWaalsContact O-O 3.09Å; L10-I15 HydrophobicContact CD2-CG1 3.75Å; L10-R33 PolarHBondContact O-NE 2.91Å; L10-R33 VanDerWaalsContact O-NE 3.12Å |
| 11 | K | 94.7 | Very high | 87.8 | Confident | 179 Ų | 179 | 77.4 Ų | 77.4 | 78% | 0.778 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.6 | 170.8 | -172.3 | 166.6 | -177.4 | 171.6 | 0 | 113.6 | P7 I9 | P7-K11 PolarHBondContact O-N 2.83Å; I9-K11 VanDerWaalsContact C-N 3.26Å; I9-K11 PolarHBondContact O-N 3.21Å |
| 12 | R | 95.4 | Very high | 89 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 48% | 0.475 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -28.4 | -178.6 | -69.3 | 175.2 | 178.3 | 179.3 | 2.1 | 113.8 | H8 I9 L10 R33 | H8-R12 WeakPolarHBondContact O-CD 3.48Å; H8-R12 WeakPolarHBondContact O-CG 3.41Å; I9-R12 CarbonylContact O-C 3.54Å; I9-R12 WeakPolarHBondContact O-CA 3.49Å; I9-R12 PolarHBondContact O-N 3.41Å; L10-R12 PolarHBondContact O-N 3.02Å; R12-R33 WeakPolarHBondContact O-CB 3.44Å; R12-R33 WeakPolarHBondContact O-CG 3.33Å; R12-R33 PolarHBondContact O-N 3.14Å |
| 13 | F | 97.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.7 | -174.4 | -61.1 | -79.4 | 0 | 0 | 0 | 110.9 | I9 L10 I15 A30 I31 N32 V39 I80 V91 | I9-F13 HydrophobicContact CG2-CD2 3.96Å; I9-F13 PolarHBondContact O-N 3.16Å; L10-F13 VanDerWaalsContact O-O 3.09Å; F13-I15 HydrophobicContact CB-CD1 3.95Å; F13-A30 HydrophobicContact CB-CB 4.29Å; F13-I31 CarbonylContact C-O 3.56Å; F13-I31 WeakPolarHBondContact CA-O 3.5Å; F13-N32 HydrophobicContact CD1-CB 4.25Å; F13-N32 HydrophobicContact CE1-CB 4Å; F13-V39 HydrophobicContact CD1-CG2 3.9Å; F13-V39 HydrophobicContact CE1-CG2 3.92Å; F13-I80 HydrophobicContact CE2-CD1 3.74Å; F13-I80 HydrophobicContact CZ-CD1 4.22Å; F13-V91 HydrophobicContact CE1-CG1 4.01Å; F13-V91 HydrophobicContact CE1-CG2 4.37Å; F13-V91 HydrophobicContact CE2-CG2 4.18Å; F13-V91 HydrophobicContact CZ-CG1 4.11Å; F13-V91 HydrophobicContact CZ-CG2 3.71Å |
| 14 | E | 96.7 | Very high | 89.9 | Confident | 89 Ų | 89 | 74 Ų | 74 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.2 | 165.5 | -166.8 | 155.4 | 118.2 | 0 | 0 | 108.6 | A30 I31 R33 | E14-A30 CarbonylContact O-C 3.54Å; E14-A30 WeakPolarHBondContact O-CA 3.48Å; E14-A30 VanDerWaalsContact O-CB 3.22Å; E14-A30 WeakPolarHBondContact O-CB 3.25Å; E14-I31 HydrophobicContact CB-CB 4.29Å; E14-I31 PolarHBondContact N-O 3.21Å; E14-I31 PolarHBondContact O-N 3.39Å; E14-R33 HydrophobicContact CB-CG 4.48Å; E14-R33 IonicContact OE2-CZ 3.49Å; E14-R33 IonicContact OE2-NH1 2.73Å; E14-R33 PolarHBondContact OE2-NH1 3.08Å; E14-R33 IonicContact OE2-NH2 3.96Å; E14-R33 PolarHBondContact OE2-NH2 2.88Å |
| 15 | I | 96.2 | Very high | 90.2 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 106.7 | -167.9 | -51.2 | -62.1 | 0 | 0 | 0 | 109 | L5 L10 F13 W28 A30 L41 | L5-I15 HydrophobicContact CD1-CB 4.43Å; L5-I15 HydrophobicContact CD1-CD1 3.72Å; L5-I15 HydrophobicContact CD1-CG1 3.59Å; L5-I15 HydrophobicContact CD1-CG2 4.11Å; L10-I15 HydrophobicContact CD2-CG1 3.75Å; F13-I15 HydrophobicContact CB-CD1 3.95Å; I15-W28 HydrophobicContact CG2-CB 4.04Å; I15-W28 HydrophobicContact CG2-CG 3.92Å; I15-A30 HydrophobicContact CD1-CB 3.89Å; I15-L41 HydrophobicContact CD1-CD2 3.71Å |
| 16 | E | 94.9 | Very high | 90.4 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -63.5 | -179 | -62.5 | -179.7 | -147.3 | 0 | 0 | 111.7 | K29 I31 | E16-K29 PolarHBondContact N-O 3.27Å; E16-K29 VanDerWaalsContact N-O 3.08Å; E16-K29 IonicContact OE1-NZ 3.63Å; E16-K29 PolarHBondContact OE1-NZ 3.42Å; E16-K29 VanDerWaalsContact OE2-CD 3.29Å; E16-K29 WeakPolarHBondContact OE2-CD 3.3Å; E16-K29 WeakPolarHBondContact OE2-CE 3.42Å; E16-K29 IonicContact OE2-NZ 3.88Å; E16-K29 PolarHBondContact OE2-NZ 2.91Å; E16-I31 HydrophobicContact CG-CG1 4.47Å; E16-I31 WeakPolarHBondContact OE1-CG1 3.48Å |
| 17 | K | 94.1 | Very high | 90.6 | Very high | 138 Ų | 138 | 71.8 Ų | 71.8 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 132.8 | -163.8 | -176.5 | 175.6 | 179.1 | -179.9 | 0 | 111 | I19 W28 K29 | K17-I19 PolarHBondContact O-N 3.26Å; K17-W28 CarbonylContact O-C 3.56Å; K17-W28 VanDerWaalsContact O-CA 3.27Å; K17-W28 WeakPolarHBondContact O-CA 3.38Å; K17-K29 PolarHBondContact N-O 3.25Å; K17-K29 PolarHBondContact O-N 3.24Å |
| 18 | R | 93.2 | Very high | 90.8 | Very high | 115 Ų | 115 | 67.4 Ų | 67.4 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.3 | 167.8 | -171.7 | 179 | 65.9 | -155.5 | -1.5 | 109.1 | E4 I26 V27 | E4-R18 IonicContact OE2-NH1 3.55Å; R18-I26 HydrophobicContact CG-CG2 3.63Å; R18-V27 CarbonylContact C-O 3.47Å |
| 19 | I | 91.5 | Very high | 91 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -21.8 | -177.8 | 61.2 | 175.7 | 0 | 0 | 0 | 113.2 | K17 V27 K29 A40 Y94 | K17-I19 PolarHBondContact O-N 3.26Å; I19-V27 HydrophobicContact CD1-CB 4.44Å; I19-V27 HydrophobicContact CD1-CG1 3.78Å; I19-V27 HydrophobicContact CG1-CB 3.9Å; I19-V27 HydrophobicContact CG1-CG1 3.76Å; I19-V27 PolarHBondContact N-O 3.31Å; I19-K29 HydrophobicContact CG2-CB 3.99Å; I19-A40 HydrophobicContact CD1-CB 4.48Å; I19-Y94 HydrophobicContact CD1-CD2 4.3Å; I19-Y94 HydrophobicContact CD1-CE2 3.98Å; I19-Y94 HydrophobicContact CG2-CE2 4.48Å |
| 20 | G | 85.5 | Confident | 91.1 | Very high | 27 Ų | 27 | 67.2 Ų | 67.2 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 151.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I26 V27 | G20-I26 WeakPolarHBondContact O-CA 3.33Å; G20-I26 WeakPolarHBondContact O-CG2 3.37Å; G20-V27 PolarHBondContact N-O 3.29Å; G20-V27 VanDerWaalsContact N-O 3.14Å; G20-V27 PolarHBondContact O-N 3.36Å |
| 21 | K | 85.8 | Confident | 91.2 | Very high | 126 Ų | 126 | 66.7 Ų | 66.7 | 55% | 0.548 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 116.5 | 171.7 | 179.9 | 153.9 | -168.9 | 166.3 | 0 | 109 | E4 I26 | E4-K21 IonicContact OE1-NZ 2.71Å; E4-K21 PolarHBondContact OE1-NZ 3.04Å; K21-I26 HydrophobicContact CB-CG1 4.2Å; K21-I26 HydrophobicContact CD-CD1 3.67Å; K21-I26 HydrophobicContact CD-CG1 3.85Å; K21-I26 HydrophobicContact CG-CD1 4.21Å; K21-I26 HydrophobicContact CG-CG1 3.81Å |
| 22 | G | 76.2 | Confident | 91.3 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | -178.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y24 G25 | G22-Y24 PolarHBondContact O-N 2.99Å; G22-G25 PolarHBondContact N-O 3.13Å; G22-G25 PolarHBondContact O-N 2.92Å |
| 23 | A | 72.4 | Confident | 91.4 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 69% | 0.686 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 24 | Y | 77.9 | Confident | 91.3 | Very high | 140 Ų | 140 | 67.4 Ų | 67.4 | 55% | 0.549 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -5.9 | -175.1 | -56.5 | -75.6 | 0 | 0 | 0 | 114.4 | G22 N44 F45 | G22-Y24 PolarHBondContact O-N 2.99Å; Y24-N44 CarbonylContact O-C 3.37Å; Y24-N44 VanDerWaalsContact O-CA 3.32Å; Y24-N44 WeakPolarHBondContact O-CA 3.36Å; Y24-F45 PolarHBondContact O-N 3.25Å |
| 25 | G | 86.6 | Confident | 91.2 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -178.2 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | G22 K43 | G22-G25 PolarHBondContact N-O 3.13Å; G22-G25 PolarHBondContact O-N 2.92Å; G25-K43 CarbonylContact C-O 3.56Å; G25-K43 WeakPolarHBondContact CA-O 3.36Å |
| 26 | I | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.4 | 176.4 | -62.5 | 177.4 | 0 | 0 | 0 | 109.5 | E4 R18 G20 K21 W28 K42 K43 F45 | E4-I26 HydrophobicContact CG-CD1 4.42Å; E4-I26 WeakPolarHBondContact OE1-CD1 3.47Å; E4-I26 WeakPolarHBondContact OE2-CD1 3.31Å; R18-I26 HydrophobicContact CG-CG2 3.63Å; G20-I26 WeakPolarHBondContact O-CA 3.33Å; G20-I26 WeakPolarHBondContact O-CG2 3.37Å; K21-I26 HydrophobicContact CB-CG1 4.2Å; K21-I26 HydrophobicContact CD-CD1 3.67Å; K21-I26 HydrophobicContact CD-CG1 3.85Å; K21-I26 HydrophobicContact CG-CD1 4.21Å; K21-I26 HydrophobicContact CG-CG1 3.81Å; I26-W28 HydrophobicContact CB-CE3 4.46Å; I26-W28 HydrophobicContact CB-CH2 3.53Å; I26-W28 HydrophobicContact CB-CZ2 3.92Å; I26-W28 HydrophobicContact CB-CZ3 3.82Å; I26-W28 HydrophobicContact CD1-CH2 4.4Å; I26-W28 HydrophobicContact CD1-CZ2 4.35Å; I26-W28 HydrophobicContact CG2-CD2 3.87Å; I26-W28 HydrophobicContact CG2-CE3 3.95Å; I26-W28 HydrophobicContact CG2-CH2 3.44Å; I26-W28 VanDerWaalsContact CG2-CH2 3.44Å; I26-W28 HydrophobicContact CG2-CZ2 3.31Å; I26-W28 HydrophobicContact CG2-CZ3 3.74Å; I26-W28 WeakPolarHBondContact O-CZ3 3.28Å; I26-K42 CarbonylContact O-C 3.51Å; I26-K42 WeakPolarHBondContact O-CA 3.23Å; I26-K43 PolarHBondContact N-O 3.46Å; I26-K43 PolarHBondContact O-N 3.16Å; I26-F45 HydrophobicContact CD1-CE2 3.91Å; I26-F45 HydrophobicContact CD1-CZ 3.57Å; I26-F45 HydrophobicContact CG1-CE2 3.71Å; I26-F45 HydrophobicContact CG1-CZ 3.76Å |
| 27 | V | 95 | Very high | 91.3 | Very high | 37 Ų | 37 | 72.7 Ų | 72.7 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.5 | 176.5 | -163.2 | 0 | 0 | 0 | 0 | 110.4 | R18 I19 G20 A40 L41 K42 | R18-V27 CarbonylContact C-O 3.47Å; I19-V27 HydrophobicContact CD1-CB 4.44Å; I19-V27 HydrophobicContact CD1-CG1 3.78Å; I19-V27 HydrophobicContact CG1-CB 3.9Å; I19-V27 HydrophobicContact CG1-CG1 3.76Å; I19-V27 PolarHBondContact N-O 3.31Å; G20-V27 PolarHBondContact N-O 3.29Å; G20-V27 VanDerWaalsContact N-O 3.14Å; G20-V27 PolarHBondContact O-N 3.36Å; V27-A40 HydrophobicContact CG1-CB 4.18Å; V27-L41 CarbonylContact C-O 3.56Å; V27-L41 VanDerWaalsContact CA-O 3.27Å; V27-L41 WeakPolarHBondContact CA-O 3.44Å; V27-K42 HydrophobicContact CG1-CB 4.43Å; V27-K42 HydrophobicContact CG2-CB 4.18Å; V27-K42 HydrophobicContact CG2-CG 4.07Å |
| 28 | W | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.9 | 174 | -58.4 | -100.4 | 0 | 0 | 0 | 111.1 | E4 L5 I15 K17 I26 L41 K43 | E4-W28 HydrophobicContact CB-CH2 4.26Å; E4-W28 HydrophobicContact CB-CZ2 3.8Å; L5-W28 HydrophobicContact CD1-CD2 4.43Å; L5-W28 HydrophobicContact CD1-CZ2 4.41Å; L5-W28 HydrophobicContact CD2-CD2 4.4Å; L5-W28 HydrophobicContact CD2-CE3 4.01Å; L5-W28 HydrophobicContact CD2-CH2 3.47Å; L5-W28 VanDerWaalsContact CD2-CH2 3.47Å; L5-W28 HydrophobicContact CD2-CZ2 3.88Å; L5-W28 HydrophobicContact CD2-CZ3 3.55Å; L5-W28 HydrophobicContact CG-CH2 4.09Å; L5-W28 HydrophobicContact CG-CZ2 4Å; I15-W28 HydrophobicContact CG2-CB 4.04Å; I15-W28 HydrophobicContact CG2-CG 3.92Å; K17-W28 CarbonylContact O-C 3.56Å; K17-W28 VanDerWaalsContact O-CA 3.27Å; K17-W28 WeakPolarHBondContact O-CA 3.38Å; I26-W28 HydrophobicContact CB-CE3 4.46Å; I26-W28 HydrophobicContact CB-CH2 3.53Å; I26-W28 HydrophobicContact CB-CZ2 3.92Å; I26-W28 HydrophobicContact CB-CZ3 3.82Å; I26-W28 HydrophobicContact CD1-CH2 4.4Å; I26-W28 HydrophobicContact CD1-CZ2 4.35Å; I26-W28 HydrophobicContact CG2-CD2 3.87Å; I26-W28 HydrophobicContact CG2-CE3 3.95Å; I26-W28 HydrophobicContact CG2-CH2 3.44Å; I26-W28 VanDerWaalsContact CG2-CH2 3.44Å; I26-W28 HydrophobicContact CG2-CZ2 3.31Å; I26-W28 HydrophobicContact CG2-CZ3 3.74Å; I26-W28 WeakPolarHBondContact O-CZ3 3.28Å; W28-L41 HydrophobicContact CE3-CD2 4.36Å; W28-L41 HydrophobicContact CE3-CG 4.4Å; W28-L41 PolarHBondContact N-O 3.49Å; W28-L41 PolarHBondContact O-N 3.25Å; W28-K43 HydrophobicContact CH2-CB 4.09Å; W28-K43 HydrophobicContact CZ3-CB 3.68Å |
| 29 | K | 97.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.9 | 155.3 | -175.9 | 176.6 | -171.6 | -105 | 0 | 107.7 | E16 K17 I19 V38 Y94 | E16-K29 PolarHBondContact N-O 3.27Å; E16-K29 VanDerWaalsContact N-O 3.08Å; E16-K29 IonicContact OE1-NZ 3.63Å; E16-K29 PolarHBondContact OE1-NZ 3.42Å; E16-K29 VanDerWaalsContact OE2-CD 3.29Å; E16-K29 WeakPolarHBondContact OE2-CD 3.3Å; E16-K29 WeakPolarHBondContact OE2-CE 3.42Å; E16-K29 IonicContact OE2-NZ 3.88Å; E16-K29 PolarHBondContact OE2-NZ 2.91Å; K17-K29 PolarHBondContact N-O 3.25Å; K17-K29 PolarHBondContact O-N 3.24Å; I19-K29 HydrophobicContact CG2-CB 3.99Å; K29-V38 HydrophobicContact CD-CG1 4.34Å; K29-V38 VanDerWaalsContact CE-CG1 3.48Å; K29-V38 HydrophobicContact CG-CG1 3.97Å; K29-Y94 HydrophobicContact CB-CD2 4.12Å; K29-Y94 HydrophobicContact CB-CE2 3.71Å; K29-Y94 HydrophobicContact CD-CD2 4.32Å; K29-Y94 HydrophobicContact CD-CE1 4.25Å; K29-Y94 HydrophobicContact CD-CE2 3.69Å; K29-Y94 HydrophobicContact CG-CD2 3.87Å; K29-Y94 HydrophobicContact CG-CE2 3.61Å |
| 30 | A | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | F13 E14 I15 V39 L41 | F13-A30 HydrophobicContact CB-CB 4.29Å; E14-A30 CarbonylContact O-C 3.54Å; E14-A30 WeakPolarHBondContact O-CA 3.48Å; E14-A30 VanDerWaalsContact O-CB 3.22Å; E14-A30 WeakPolarHBondContact O-CB 3.25Å; I15-A30 HydrophobicContact CD1-CB 3.89Å; A30-V39 HydrophobicContact CB-CG2 4.25Å; A30-V39 PolarHBondContact N-O 2.88Å; A30-V39 WeakPolarHBondContact O-CG2 3.49Å; A30-V39 PolarHBondContact O-N 2.74Å; A30-L41 HydrophobicContact CB-CB 4.33Å |
| 31 | I | 97.8 | Very high | 92.5 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.4 | 171.8 | -56.3 | 172.2 | 0 | 0 | 0 | 108.3 | F13 E14 E16 R33 E37 | F13-I31 CarbonylContact C-O 3.56Å; F13-I31 WeakPolarHBondContact CA-O 3.5Å; E14-I31 HydrophobicContact CB-CB 4.29Å; E14-I31 PolarHBondContact N-O 3.21Å; E14-I31 PolarHBondContact O-N 3.39Å; E16-I31 HydrophobicContact CG-CG1 4.47Å; E16-I31 WeakPolarHBondContact OE1-CG1 3.48Å; I31-R33 PolarHBondContact O-N 3Å; I31-E37 WeakPolarHBondContact CA-O 3.34Å |
| 32 | N | 97.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 113.2 | 170.5 | 178.8 | -13.4 | 0 | 0 | 0 | 109.3 | F13 K34 T35 K36 E37 | F13-N32 HydrophobicContact CD1-CB 4.25Å; F13-N32 HydrophobicContact CE1-CB 4Å; N32-K34 PolarHBondContact O-N 3.11Å; N32-K34 VanDerWaalsContact O-N 3.08Å; N32-K34 PolarHBondContact OD1-N 3.3Å; N32-K34 VanDerWaalsContact OD1-N 3.15Å; N32-T35 WeakPolarHBondContact CB-OG1 3.45Å; N32-T35 PolarHBondContact ND2-OG1 2.92Å; N32-T35 PolarHBondContact O-N 3.26Å; N32-K36 WeakPolarHBondContact O-CA 3.29Å; N32-K36 PolarHBondContact O-N 3.27Å; N32-E37 PolarHBondContact N-O 2.97Å |
| 33 | R | 96.8 | Very high | 93.8 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 39% | 0.389 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27 | -172.9 | -69.1 | -174.5 | 171.7 | -66.5 | -7.1 | 113.5 | L10 R12 E14 I31 K36 | L10-R33 PolarHBondContact O-NE 2.91Å; L10-R33 VanDerWaalsContact O-NE 3.12Å; R12-R33 WeakPolarHBondContact O-CB 3.44Å; R12-R33 WeakPolarHBondContact O-CG 3.33Å; R12-R33 PolarHBondContact O-N 3.14Å; E14-R33 HydrophobicContact CB-CG 4.48Å; E14-R33 IonicContact OE2-CZ 3.49Å; E14-R33 IonicContact OE2-NH1 2.73Å; E14-R33 PolarHBondContact OE2-NH1 3.08Å; E14-R33 IonicContact OE2-NH2 3.96Å; E14-R33 PolarHBondContact OE2-NH2 2.88Å; I31-R33 PolarHBondContact O-N 3Å; R33-K36 PolarHBondContact O-NZ 3.34Å |
| 34 | K | 94.9 | Very high | 94.7 | Very high | 191 Ų | 191 | 50.3 Ų | 50.3 | 83% | 0.83 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -46.1 | 179.9 | -179.2 | 173.6 | 178.5 | 176.6 | 0 | 113.2 | N32 | N32-K34 PolarHBondContact O-N 3.11Å; N32-K34 VanDerWaalsContact O-N 3.08Å; N32-K34 PolarHBondContact OD1-N 3.3Å; N32-K34 VanDerWaalsContact OD1-N 3.15Å |
| 35 | T | 95.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -11.1 | -173.5 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | N32 E37 | N32-T35 WeakPolarHBondContact CB-OG1 3.45Å; N32-T35 PolarHBondContact ND2-OG1 2.92Å; N32-T35 PolarHBondContact O-N 3.26Å; T35-E37 WeakPolarHBondContact CB-OE2 3.23Å; T35-E37 PolarHBondContact O-N 3.47Å; T35-E37 VanDerWaalsContact O-N 3.15Å; T35-E37 VanDerWaalsContact OG1-CD 3.25Å; T35-E37 WeakPolarHBondContact OG1-CG 3.33Å; T35-E37 PolarHBondContact OG1-N 2.78Å; T35-E37 PolarHBondContact OG1-OE2 3.42Å |
| 36 | K | 96.2 | Very high | 95.2 | Very high | 154 Ų | 154 | 49.3 Ų | 49.3 | 67% | 0.67 | 24% | 0.235 | S | C | * | . | trans | 62.4 | 5.5 | -171.6 | -50.3 | -56.4 | -171.4 | -176.2 | 0 | 115 | N32 R33 | N32-K36 WeakPolarHBondContact O-CA 3.29Å; N32-K36 PolarHBondContact O-N 3.27Å; R33-K36 PolarHBondContact O-NZ 3.34Å | ||
| 37 | E | 96.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 46% | 0.458 | 24% | 0.237 | S | C | . | . | trans | -67 | 140.8 | 174.9 | -62.2 | 160.6 | 141.6 | 0 | 0 | 111.5 | I31 N32 T35 | I31-E37 WeakPolarHBondContact CA-O 3.34Å; N32-E37 PolarHBondContact N-O 2.97Å; T35-E37 WeakPolarHBondContact CB-OE2 3.23Å; T35-E37 PolarHBondContact O-N 3.47Å; T35-E37 VanDerWaalsContact O-N 3.15Å; T35-E37 VanDerWaalsContact OG1-CD 3.25Å; T35-E37 WeakPolarHBondContact OG1-CG 3.33Å; T35-E37 PolarHBondContact OG1-N 2.78Å; T35-E37 PolarHBondContact OG1-OE2 3.42Å | ||
| 38 | V | 97.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 131.8 | 167.6 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | K29 Y94 | K29-V38 HydrophobicContact CD-CG1 4.34Å; K29-V38 VanDerWaalsContact CE-CG1 3.48Å; K29-V38 HydrophobicContact CG-CG1 3.97Å; V38-Y94 HydrophobicContact CG1-CD1 3.88Å; V38-Y94 HydrophobicContact CG1-CD2 4.35Å; V38-Y94 HydrophobicContact CG1-CG 3.74Å |
| 39 | V | 97.7 | Very high | 94 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.6 | -175.8 | -65 | 0 | 0 | 0 | 0 | 111.8 | F13 A30 Y77 V91 F92 | F13-V39 HydrophobicContact CD1-CG2 3.9Å; F13-V39 HydrophobicContact CE1-CG2 3.92Å; A30-V39 HydrophobicContact CB-CG2 4.25Å; A30-V39 PolarHBondContact N-O 2.88Å; A30-V39 WeakPolarHBondContact O-CG2 3.49Å; A30-V39 PolarHBondContact O-N 2.74Å; V39-Y77 HydrophobicContact CG1-CD2 3.93Å; V39-Y77 HydrophobicContact CG1-CE2 4.17Å; V39-V91 HydrophobicContact CB-CG1 3.87Å; V39-V91 HydrophobicContact CG1-CG1 4.09Å; V39-V91 HydrophobicContact CG2-CG1 3.95Å; V39-F92 WeakPolarHBondContact CA-O 2.91Å; V39-F92 WeakPolarHBondContact CB-O 3.38Å |
| 40 | A | 97.5 | Very high | 93.5 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 108.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I19 V27 F92 Y94 | I19-A40 HydrophobicContact CD1-CB 4.48Å; V27-A40 HydrophobicContact CG1-CB 4.18Å; A40-F92 HydrophobicContact CB-CB 4.23Å; A40-F92 PolarHBondContact N-O 3.35Å; A40-F92 PolarHBondContact O-N 3.36Å; A40-Y94 HydrophobicContact CB-CD2 4.47Å |
| 41 | L | 97 | Very high | 93 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.6 | 174.7 | 176.3 | 69.6 | 0 | 0 | 0 | 109.2 | L5 I9 I15 V27 W28 A30 Y89 V91 | L5-L41 HydrophobicContact CD2-CD2 4.18Å; I9-L41 HydrophobicContact CG2-CD1 4.33Å; I9-L41 HydrophobicContact CG2-CD2 3.63Å; I15-L41 HydrophobicContact CD1-CD2 3.71Å; V27-L41 CarbonylContact C-O 3.56Å; V27-L41 VanDerWaalsContact CA-O 3.27Å; V27-L41 WeakPolarHBondContact CA-O 3.44Å; W28-L41 HydrophobicContact CE3-CD2 4.36Å; W28-L41 HydrophobicContact CE3-CG 4.4Å; W28-L41 PolarHBondContact N-O 3.49Å; W28-L41 PolarHBondContact O-N 3.25Å; A30-L41 HydrophobicContact CB-CB 4.33Å; L41-Y89 HydrophobicContact CD1-CD1 4.18Å; L41-V91 HydrophobicContact CD1-CG2 4.05Å |
| 42 | K | 95.2 | Very high | 92.4 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.9 | 176.8 | 178.4 | -175 | -173 | -168.8 | 0 | 109.5 | I26 V27 N44 E60 Y89 L90 F92 | I26-K42 CarbonylContact O-C 3.51Å; I26-K42 WeakPolarHBondContact O-CA 3.23Å; V27-K42 HydrophobicContact CG1-CB 4.43Å; V27-K42 HydrophobicContact CG2-CB 4.18Å; V27-K42 HydrophobicContact CG2-CG 4.07Å; K42-N44 WeakPolarHBondContact CD-OD1 3.12Å; K42-N44 WeakPolarHBondContact CE-OD1 3.17Å; K42-N44 WeakPolarHBondContact CG-OD1 3.45Å; K42-E60 IonicContact NZ-OE1 3.08Å; K42-E60 PolarHBondContact NZ-OE1 3.04Å; K42-E60 IonicContact NZ-OE2 2.78Å; K42-Y89 WeakPolarHBondContact O-CA 3.42Å; K42-L90 HydrophobicContact CB-CB 4.32Å; K42-L90 HydrophobicContact CD-CD1 4.24Å; K42-L90 PolarHBondContact N-O 3.08Å; K42-L90 PolarHBondContact O-N 3.21Å; K42-F92 HydrophobicContact CB-CD2 4.27Å; K42-F92 HydrophobicContact CB-CE2 4.1Å; K42-F92 HydrophobicContact CD-CE2 3.77Å; K42-F92 HydrophobicContact CD-CZ 4.49Å |
| 43 | K | 94.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 110.5 | 166.8 | -177.4 | 177.4 | -176.5 | 161 | 0 | 108.3 | E4 G25 I26 W28 F45 D87 Y89 | E4-K43 PolarHBondContact O-NZ 3.48Å; G25-K43 CarbonylContact C-O 3.56Å; G25-K43 WeakPolarHBondContact CA-O 3.36Å; I26-K43 PolarHBondContact N-O 3.46Å; I26-K43 PolarHBondContact O-N 3.16Å; W28-K43 HydrophobicContact CH2-CB 4.09Å; W28-K43 HydrophobicContact CZ3-CB 3.68Å; K43-F45 HydrophobicContact CD-CD1 4.26Å; K43-F45 HydrophobicContact CD-CE1 3.82Å; K43-F45 HydrophobicContact CG-CD1 4.33Å; K43-F45 HydrophobicContact CG-CE1 4.25Å; K43-D87 WeakPolarHBondContact CE-OD2 3.46Å; K43-D87 IonicContact NZ-OD2 2.63Å; K43-D87 PolarHBondContact NZ-OD2 3.34Å; K43-Y89 HydrophobicContact CB-CD1 3.84Å; K43-Y89 HydrophobicContact CB-CE1 3.71Å; K43-Y89 HydrophobicContact CD-CD1 4.47Å; K43-Y89 HydrophobicContact CD-CE1 3.59Å; K43-Y89 WeakPolarHBondContact CE-OH 3.33Å; K43-Y89 HydrophobicContact CG-CD1 4.07Å; K43-Y89 HydrophobicContact CG-CE1 3.66Å; K43-Y89 PolarHBondContact NZ-OH 2.97Å |
| 44 | N | 91.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.6 | 168.7 | -72.1 | 7.9 | 0 | 0 | 0 | 108.3 | Y24 K42 A47 D87 I88 | Y24-N44 CarbonylContact O-C 3.37Å; Y24-N44 VanDerWaalsContact O-CA 3.32Å; Y24-N44 WeakPolarHBondContact O-CA 3.36Å; K42-N44 WeakPolarHBondContact CD-OD1 3.12Å; K42-N44 WeakPolarHBondContact CE-OD1 3.17Å; K42-N44 WeakPolarHBondContact CG-OD1 3.45Å; N44-A47 HydrophobicContact CB-CB 4.22Å; N44-D87 VanDerWaalsContact O-CA 3.29Å; N44-D87 WeakPolarHBondContact O-CA 3.49Å; N44-D87 WeakPolarHBondContact O-CB 3.33Å; N44-I88 HydrophobicContact CB-CG2 3.85Å; N44-I88 PolarHBondContact N-O 3.09Å; N44-I88 PolarHBondContact O-N 2.99Å; N44-I88 VanDerWaalsContact O-N 3.08Å |
| 45 | F | 87.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -82.8 | 145.6 | 175.9 | -64.2 | -52.4 | 0 | 0 | 0 | 111.4 | Y24 I26 K43 A47 D87 | Y24-F45 PolarHBondContact O-N 3.25Å; I26-F45 HydrophobicContact CD1-CE2 3.91Å; I26-F45 HydrophobicContact CD1-CZ 3.57Å; I26-F45 HydrophobicContact CG1-CE2 3.71Å; I26-F45 HydrophobicContact CG1-CZ 3.76Å; K43-F45 HydrophobicContact CD-CD1 4.26Å; K43-F45 HydrophobicContact CD-CE1 3.82Å; K43-F45 HydrophobicContact CG-CD1 4.33Å; K43-F45 HydrophobicContact CG-CE1 4.25Å; F45-A47 PolarHBondContact O-N 3.32Å; F45-D87 WeakPolarHBondContact CA-OD1 3.44Å |
| 46 | D | 86.8 | Confident | 91 | Very high | 61 Ų | 61 | 48 Ų | 48 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 54.3 | 25.6 | 169.3 | -100.6 | -12.3 | 0 | 0 | 0 | 112.8 | F48 R49 K86 D87 | D46-F48 PolarHBondContact O-N 2.85Å; D46-R49 HydrophobicContact CB-CB 3.79Å; D46-R49 WeakPolarHBondContact O-CB 3.34Å; D46-R49 PolarHBondContact O-N 2.87Å; D46-R49 WeakPolarHBondContact OD2-CD 3.44Å; D46-R49 IonicContact OD2-NE 3.65Å; D46-R49 IonicContact OD2-NH1 3.18Å; D46-R49 PolarHBondContact OD2-NH1 3.23Å; D46-K86 CarbonylContact C-O 3.34Å; D46-D87 PolarHBondContact N-OD1 3.24Å |
| 47 | A | 85.4 | Confident | 90.8 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N44 F45 D53 A54 T57 K86 I88 | N44-A47 HydrophobicContact CB-CB 4.22Å; F45-A47 PolarHBondContact O-N 3.32Å; A47-D53 CarbonylContact O-C 3.55Å; A47-A54 VanDerWaalsContact O-CA 3.29Å; A47-A54 WeakPolarHBondContact O-CA 3.44Å; A47-A54 PolarHBondContact O-N 2.98Å; A47-T57 HydrophobicContact CB-CG2 4.18Å; A47-K86 PolarHBondContact N-O 3.31Å; A47-I88 HydrophobicContact CB-CG2 3.86Å |
| 48 | F | 88.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 31.7 | 172.7 | -50 | -66.1 | 0 | 0 | 0 | 112.8 | D46 A54 K86 I88 V340 R344 L347 Y348 | D46-F48 PolarHBondContact O-N 2.85Å; F48-A54 HydrophobicContact CD1-CB 4.14Å; F48-K86 VanDerWaalsContact CD2-O 3.32Å; F48-K86 WeakPolarHBondContact CD2-O 3.13Å; F48-K86 PolarHBondContact N-O 2.79Å; F48-I88 HydrophobicContact CE2-CB 4.27Å; F48-I88 HydrophobicContact CZ-CD1 4.2Å; F48-V340 HydrophobicContact CB-CG1 3.83Å; F48-V340 WeakPolarHBondContact O-CG1 3.16Å; F48-R344 HydrophobicContact CD1-CB 3.68Å; F48-R344 HydrophobicContact CD1-CG 3.97Å; F48-R344 HydrophobicContact CD2-CG 3.95Å; F48-R344 HydrophobicContact CE1-CB 3.79Å; F48-R344 HydrophobicContact CE1-CG 3.93Å; F48-R344 HydrophobicContact CE2-CG 3.92Å; F48-R344 HydrophobicContact CG-CB 4.09Å; F48-R344 HydrophobicContact CG-CG 4Å; F48-R344 HydrophobicContact CZ-CB 4.29Å; F48-R344 HydrophobicContact CZ-CG 3.91Å; F48-L347 HydrophobicContact CE1-CD2 4.18Å; F48-L347 HydrophobicContact CZ-CD2 3.87Å; F48-Y348 WeakPolarHBondContact CE2-OH 3.23Å |
| 49 | R | 86 | Confident | 90.3 | Very high | 176 Ų | 176 | 34.1 Ų | 34.1 | 66% | 0.664 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -76 | -35.9 | 176.3 | 171.4 | 168.7 | 162.5 | -173.8 | -4.7 | 113.5 | D46 | D46-R49 HydrophobicContact CB-CB 3.79Å; D46-R49 WeakPolarHBondContact O-CB 3.34Å; D46-R49 PolarHBondContact O-N 2.87Å; D46-R49 WeakPolarHBondContact OD2-CD 3.44Å; D46-R49 IonicContact OD2-NE 3.65Å; D46-R49 IonicContact OD2-NH1 3.18Å; D46-R49 PolarHBondContact OD2-NH1 3.23Å |
| 50 | N | 86.8 | Confident | 90 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -149.7 | 168 | 179.7 | 69.7 | 73.8 | 0 | 0 | 0 | 111 | T52 D53 A54 V340 | N50-T52 VanDerWaalsContact C-N 3.35Å; N50-T52 PolarHBondContact O-N 2.86Å; N50-T52 WeakPolarHBondContact OD1-CA 3.49Å; N50-T52 VanDerWaalsContact OD1-CB 3.31Å; N50-T52 WeakPolarHBondContact OD1-CB 3.31Å; N50-T52 PolarHBondContact OD1-N 3.39Å; N50-D53 PolarHBondContact ND2-OD2 3.13Å; N50-D53 PolarHBondContact O-N 3.07Å; N50-D53 PolarHBondContact OD1-N 3.05Å; N50-A54 VanDerWaalsContact O-CB 3.31Å; N50-A54 WeakPolarHBondContact O-CB 3.37Å; N50-A54 PolarHBondContact O-N 3.08Å; N50-V340 VanDerWaalsContact C-CG2 3.47Å |
| 51 | Q | 86.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 34.1 Ų | 34.1 | 33% | 0.327 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.1 | -38.7 | -174.5 | -168.6 | 170.6 | 43.6 | 0 | 0 | 113.5 | Q55 Q337 L338 Y343 | Q51-Q55 WeakPolarHBondContact O-CB 3.46Å; Q51-Q55 PolarHBondContact O-N 3.15Å; Q51-Q337 VanDerWaalsContact NE2-C 3.34Å; Q51-Q337 PolarHBondContact NE2-O 2.96Å; Q51-L338 WeakPolarHBondContact CG-O 3.45Å; Q51-L338 PolarHBondContact NE2-O 3.28Å; Q51-Y343 HydrophobicContact CG-CE2 4.16Å |
| 52 | T | 85.5 | Confident | 89.7 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 41% | 0.411 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.6 | -45.5 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | N50 Q55 R56 | N50-T52 VanDerWaalsContact C-N 3.35Å; N50-T52 PolarHBondContact O-N 2.86Å; N50-T52 WeakPolarHBondContact OD1-CA 3.49Å; N50-T52 VanDerWaalsContact OD1-CB 3.31Å; N50-T52 WeakPolarHBondContact OD1-CB 3.31Å; N50-T52 PolarHBondContact OD1-N 3.39Å; T52-Q55 PolarHBondContact O-N 2.98Å; T52-R56 WeakPolarHBondContact O-CB 3.33Å; T52-R56 VanDerWaalsContact O-CG 3.25Å; T52-R56 WeakPolarHBondContact O-CG 3.44Å; T52-R56 PolarHBondContact O-N 3.47Å |
| 53 | D | 86.8 | Confident | 89.6 | Confident | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.193 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -75.6 | -32.1 | -179.2 | -65.4 | -39 | 0 | 0 | 0 | 112.3 | A47 N50 R56 T57 | A47-D53 CarbonylContact O-C 3.55Å; N50-D53 PolarHBondContact ND2-OD2 3.13Å; N50-D53 PolarHBondContact O-N 3.07Å; N50-D53 PolarHBondContact OD1-N 3.05Å; D53-R56 PolarHBondContact O-N 3.01Å; D53-R56 WeakPolarHBondContact OD1-CD 3.38Å; D53-R56 IonicContact OD1-CZ 3.45Å; D53-R56 IonicContact OD1-NE 3.16Å; D53-R56 IonicContact OD1-NH1 3.65Å; D53-R56 PolarHBondContact OD1-NH1 3.43Å; D53-T57 WeakPolarHBondContact O-CB 3.34Å; D53-T57 PolarHBondContact O-N 3.26Å; D53-T57 PolarHBondContact O-OG1 3.28Å |
| 54 | A | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -44 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A47 F48 N50 T57 F58 Y343 | A47-A54 VanDerWaalsContact O-CA 3.29Å; A47-A54 WeakPolarHBondContact O-CA 3.44Å; A47-A54 PolarHBondContact O-N 2.98Å; F48-A54 HydrophobicContact CD1-CB 4.14Å; N50-A54 VanDerWaalsContact O-CB 3.31Å; N50-A54 WeakPolarHBondContact O-CB 3.37Å; N50-A54 PolarHBondContact O-N 3.08Å; A54-T57 PolarHBondContact O-N 3Å; A54-F58 WeakPolarHBondContact O-CB 3.34Å; A54-F58 PolarHBondContact O-N 3Å; A54-Y343 HydrophobicContact CB-CD2 4.06Å; A54-Y343 HydrophobicContact CB-CG 4.16Å |
| 55 | Q | 88.9 | Confident | 89.7 | Confident | 17 Ų | 17 | 33 Ų | 33 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 174.7 | -168.4 | -165.2 | 69.4 | 0 | 0 | 111.8 | Q51 T52 F58 R59 D334 Y343 | Q51-Q55 WeakPolarHBondContact O-CB 3.46Å; Q51-Q55 PolarHBondContact O-N 3.15Å; T52-Q55 PolarHBondContact O-N 2.98Å; Q55-F58 PolarHBondContact O-N 3.4Å; Q55-R59 VanDerWaalsContact CD-NH1 3.28Å; Q55-R59 VanDerWaalsContact O-CB 3.23Å; Q55-R59 WeakPolarHBondContact O-CB 3.31Å; Q55-R59 PolarHBondContact O-N 3.28Å; Q55-D334 PolarHBondContact NE2-O 3.17Å; Q55-Y343 HydrophobicContact CB-CE1 3.91Å; Q55-Y343 HydrophobicContact CB-CE2 4.02Å; Q55-Y343 HydrophobicContact CG-CE1 3.8Å; Q55-Y343 WeakPolarHBondContact CG-OH 3.45Å; Q55-Y343 PolarHBondContact NE2-OH 2.96Å; Q55-Y343 VanDerWaalsContact NE2-OH 3.09Å |
| 56 | R | 88.5 | Confident | 89.9 | Confident | 49 Ų | 49 | 31.2 Ų | 31.2 | 19% | 0.185 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | 174 | -75.5 | 165.7 | -180 | 173 | -3.7 | 111.2 | T52 D53 R59 E60 | T52-R56 WeakPolarHBondContact O-CB 3.33Å; T52-R56 VanDerWaalsContact O-CG 3.25Å; T52-R56 WeakPolarHBondContact O-CG 3.44Å; T52-R56 PolarHBondContact O-N 3.47Å; D53-R56 PolarHBondContact O-N 3.01Å; D53-R56 WeakPolarHBondContact OD1-CD 3.38Å; D53-R56 IonicContact OD1-CZ 3.45Å; D53-R56 IonicContact OD1-NE 3.16Å; D53-R56 IonicContact OD1-NH1 3.65Å; D53-R56 PolarHBondContact OD1-NH1 3.43Å; R56-R59 PolarHBondContact O-N 3.08Å; R56-E60 WeakPolarHBondContact O-CB 3.29Å; R56-E60 PolarHBondContact O-N 2.78Å |
| 57 | T | 91.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | A47 D53 A54 R59 I61 I88 L347 | A47-T57 HydrophobicContact CB-CG2 4.18Å; D53-T57 WeakPolarHBondContact O-CB 3.34Å; D53-T57 PolarHBondContact O-N 3.26Å; D53-T57 PolarHBondContact O-OG1 3.28Å; A54-T57 PolarHBondContact O-N 3Å; T57-R59 VanDerWaalsContact C-N 3.31Å; T57-R59 PolarHBondContact O-N 2.88Å; T57-I61 HydrophobicContact CG2-CD1 3.87Å; T57-I61 WeakPolarHBondContact O-CD1 3.29Å; T57-I61 VanDerWaalsContact O-CG1 3.32Å; T57-I61 WeakPolarHBondContact O-CG1 3.33Å; T57-I61 PolarHBondContact O-N 3.04Å; T57-I88 HydrophobicContact CG2-CG2 3.9Å; T57-L347 HydrophobicContact CG2-CD2 4.35Å |
| 58 | F | 91.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 176.2 | -178.9 | -82.5 | 0 | 0 | 0 | 111.4 | A54 Q55 I61 A62 P331 L332 Y343 R346 L347 M350 | A54-F58 WeakPolarHBondContact O-CB 3.34Å; A54-F58 PolarHBondContact O-N 3Å; Q55-F58 PolarHBondContact O-N 3.4Å; F58-I61 PolarHBondContact O-N 2.84Å; F58-A62 HydrophobicContact CD1-CB 4.46Å; F58-A62 HydrophobicContact CE1-CB 4.19Å; F58-A62 VanDerWaalsContact O-CB 3.31Å; F58-A62 WeakPolarHBondContact O-CB 3.32Å; F58-A62 PolarHBondContact O-N 3.38Å; F58-P331 HydrophobicContact CZ-CB 4.39Å; F58-L332 HydrophobicContact CD1-CD1 3.8Å; F58-L332 HydrophobicContact CD1-CG 4.31Å; F58-L332 HydrophobicContact CD2-CD1 3.89Å; F58-L332 HydrophobicContact CE1-CB 4.06Å; F58-L332 HydrophobicContact CE1-CD1 3.54Å; F58-L332 HydrophobicContact CE1-CG 3.63Å; F58-L332 HydrophobicContact CE2-CD1 3.64Å; F58-L332 HydrophobicContact CE2-CG 4.26Å; F58-L332 HydrophobicContact CG-CD1 4Å; F58-L332 HydrophobicContact CZ-CD1 3.47Å; F58-L332 VanDerWaalsContact CZ-CD1 3.47Å; F58-L332 HydrophobicContact CZ-CG 3.61Å; F58-Y343 HydrophobicContact CB-CD1 4.08Å; F58-Y343 HydrophobicContact CG-CD1 4.29Å; F58-R346 HydrophobicContact CE2-CB 4.26Å; F58-L347 HydrophobicContact CD2-CB 3.96Å; F58-L347 HydrophobicContact CD2-CD1 4.21Å; F58-L347 HydrophobicContact CE2-CB 4.45Å; F58-M350 HydrophobicContact CE2-CE 4.26Å; F58-M350 HydrophobicContact CZ-CE 4.28Å; F58-M350 HydrophobicContact CZ-SD 4.38Å |
| 59 | R | 91.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.011 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.6 | -40 | -176.4 | -178.4 | 174.3 | 57.7 | -117.8 | -9.3 | 113.6 | Q55 R56 T57 I61 A62 F63 G157 A159 R160 D334 | Q55-R59 VanDerWaalsContact CD-NH1 3.28Å; Q55-R59 VanDerWaalsContact O-CB 3.23Å; Q55-R59 WeakPolarHBondContact O-CB 3.31Å; Q55-R59 PolarHBondContact O-N 3.28Å; R56-R59 PolarHBondContact O-N 3.08Å; T57-R59 VanDerWaalsContact C-N 3.31Å; T57-R59 PolarHBondContact O-N 2.88Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 2.96Å; R59-A62 PolarHBondContact O-N 3.39Å; R59-F63 HydrophobicContact CG-CD2 3.6Å; R59-F63 HydrophobicContact CG-CE2 3.44Å; R59-F63 VanDerWaalsContact CG-CE2 3.44Å; R59-F63 WeakPolarHBondContact O-CD2 3.2Å; R59-F63 PolarHBondContact O-N 3.03Å; R59-G157 PolarHBondContact NE-O 3.23Å; R59-G157 VanDerWaalsContact NE-O 3.08Å; R59-G157 PolarHBondContact NH2-O 3.04Å; R59-A159 WeakPolarHBondContact CD-O 3.33Å; R59-R160 VanDerWaalsContact NH1-NH2 3.12Å; R59-D334 WeakPolarHBondContact CD-OD1 3.3Å; R59-D334 IonicContact CZ-OD1 3.82Å; R59-D334 IonicContact NE-OD1 3.27Å; R59-D334 IonicContact NH1-OD1 2.64Å; R59-D334 PolarHBondContact NH1-OD1 3.14Å |
| 60 | E | 93.3 | Very high | 91.2 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.6 | -53 | 171.2 | -173.7 | -169 | 178.2 | 0 | 0 | 109 | K42 R56 L64 | K42-E60 IonicContact NZ-OE1 3.08Å; K42-E60 PolarHBondContact NZ-OE1 3.04Å; K42-E60 IonicContact NZ-OE2 2.78Å; R56-E60 WeakPolarHBondContact O-CB 3.29Å; R56-E60 PolarHBondContact O-N 2.78Å; E60-L64 HydrophobicContact CG-CD1 3.89Å; E60-L64 WeakPolarHBondContact O-CB 3.49Å; E60-L64 WeakPolarHBondContact O-CD1 3.34Å; E60-L64 VanDerWaalsContact O-CG 3.22Å; E60-L64 WeakPolarHBondContact O-CG 3.32Å; E60-L64 PolarHBondContact O-N 2.73Å |
| 61 | I | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | -178.7 | -63.7 | 163.6 | 0 | 0 | 0 | 111.4 | T57 F58 R59 Q65 L76 V79 I88 L90 L347 M350 | T57-I61 HydrophobicContact CG2-CD1 3.87Å; T57-I61 WeakPolarHBondContact O-CD1 3.29Å; T57-I61 VanDerWaalsContact O-CG1 3.32Å; T57-I61 WeakPolarHBondContact O-CG1 3.33Å; T57-I61 PolarHBondContact O-N 3.04Å; F58-I61 PolarHBondContact O-N 2.84Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 2.96Å; I61-Q65 HydrophobicContact CG2-CG 4.23Å; I61-Q65 WeakPolarHBondContact O-CB 3.45Å; I61-Q65 WeakPolarHBondContact O-CG 3.09Å; I61-Q65 PolarHBondContact O-N 2.8Å; I61-L76 HydrophobicContact CG2-CD2 4.09Å; I61-V79 HydrophobicContact CD1-CG1 4.4Å; I61-V79 HydrophobicContact CG2-CG2 4.12Å; I61-I88 HydrophobicContact CD1-CD1 4.11Å; I61-L90 HydrophobicContact CD1-CD2 3.76Å; I61-L90 HydrophobicContact CG1-CD2 3.87Å; I61-L347 HydrophobicContact CB-CD1 4.11Å; I61-L347 HydrophobicContact CD1-CD1 3.8Å; I61-L347 HydrophobicContact CD1-CD2 3.73Å; I61-L347 HydrophobicContact CD1-CG 4.33Å; I61-L347 HydrophobicContact CG2-CD1 3.87Å; I61-M350 HydrophobicContact CG2-CE 4.17Å |
| 62 | A | 93 | Very high | 92.2 | Very high | 10 Ų | 10 | 23.1 Ų | 23.1 | 8% | 0.083 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F58 R59 A66 P330 M350 | F58-A62 HydrophobicContact CD1-CB 4.46Å; F58-A62 HydrophobicContact CE1-CB 4.19Å; F58-A62 VanDerWaalsContact O-CB 3.31Å; F58-A62 WeakPolarHBondContact O-CB 3.32Å; F58-A62 PolarHBondContact O-N 3.38Å; R59-A62 PolarHBondContact O-N 3.39Å; A62-A66 PolarHBondContact O-N 3.43Å; A62-P330 HydrophobicContact CB-CB 4.41Å; A62-M350 HydrophobicContact CB-CE 4.28Å |
| 63 | F | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.1 | -44.2 | 177.5 | -75.4 | -51.5 | 0 | 0 | 0 | 112.5 | R59 Q65 A66 F67 V133 F156 A159 V328 P330 | R59-F63 HydrophobicContact CG-CD2 3.6Å; R59-F63 HydrophobicContact CG-CE2 3.44Å; R59-F63 VanDerWaalsContact CG-CE2 3.44Å; R59-F63 WeakPolarHBondContact O-CD2 3.2Å; R59-F63 PolarHBondContact O-N 3.03Å; F63-Q65 VanDerWaalsContact C-N 3.25Å; F63-Q65 PolarHBondContact O-N 3.31Å; F63-A66 WeakPolarHBondContact O-CA 3.15Å; F63-A66 WeakPolarHBondContact O-CB 3.45Å; F63-A66 PolarHBondContact O-N 3.17Å; F63-F67 HydrophobicContact CB-CD2 4.45Å; F63-F67 HydrophobicContact CD1-CE2 4.03Å; F63-F67 WeakPolarHBondContact O-CD2 3.49Å; F63-F67 PolarHBondContact O-N 3.24Å; F63-V133 HydrophobicContact CD1-CG1 4.2Å; F63-V133 HydrophobicContact CD1-CG2 4.17Å; F63-V133 HydrophobicContact CE1-CB 4.47Å; F63-V133 HydrophobicContact CE1-CG1 3.97Å; F63-V133 HydrophobicContact CE1-CG2 3.57Å; F63-V133 HydrophobicContact CZ-CG1 4.19Å; F63-V133 HydrophobicContact CZ-CG2 4.24Å; F63-F156 HydrophobicContact CB-CB 4.03Å; F63-F156 HydrophobicContact CB-CD1 4.09Å; F63-F156 HydrophobicContact CB-CG 4.27Å; F63-A159 HydrophobicContact CD2-CB 3.76Å; F63-A159 HydrophobicContact CE2-CB 3.87Å; F63-V328 HydrophobicContact CD1-CG1 4.04Å; F63-V328 HydrophobicContact CE1-CG1 4.11Å; F63-P330 HydrophobicContact CZ-CG 4.23Å |
| 64 | L | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51.9 | -49.1 | 172 | -76.6 | 167 | 0 | 0 | 0 | 110.5 | E60 A66 F67 S68 I74 L76 F92 F156 | E60-L64 HydrophobicContact CG-CD1 3.89Å; E60-L64 WeakPolarHBondContact O-CB 3.49Å; E60-L64 WeakPolarHBondContact O-CD1 3.34Å; E60-L64 VanDerWaalsContact O-CG 3.22Å; E60-L64 WeakPolarHBondContact O-CG 3.32Å; E60-L64 PolarHBondContact O-N 2.73Å; L64-A66 PolarHBondContact O-N 2.88Å; L64-A66 VanDerWaalsContact O-N 3.12Å; L64-F67 PolarHBondContact O-N 2.96Å; L64-S68 WeakPolarHBondContact O-CB 3.49Å; L64-S68 PolarHBondContact O-N 3.45Å; L64-I74 HydrophobicContact CD2-CG2 3.64Å; L64-L76 HydrophobicContact CB-CB 4.09Å; L64-L76 HydrophobicContact CB-CD2 3.87Å; L64-L76 HydrophobicContact CD1-CB 4.46Å; L64-L76 HydrophobicContact CD1-CD2 4.06Å; L64-F92 HydrophobicContact CD1-CE1 3.64Å; L64-F92 HydrophobicContact CD1-CZ 3.84Å; L64-F92 HydrophobicContact CD2-CE1 4.18Å; L64-F156 HydrophobicContact CD2-CD2 3.56Å; L64-F156 HydrophobicContact CD2-CE2 3.86Å; L64-F156 HydrophobicContact CG-CD2 3.93Å |
| 65 | Q | 92.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 18.8 Ų | 18.8 | 17% | 0.168 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.2 | -8.6 | 177.4 | -80.2 | -169.4 | 22.8 | 0 | 0 | 116 | I61 F63 L76 K354 | I61-Q65 HydrophobicContact CG2-CG 4.23Å; I61-Q65 WeakPolarHBondContact O-CB 3.45Å; I61-Q65 WeakPolarHBondContact O-CG 3.09Å; I61-Q65 PolarHBondContact O-N 2.8Å; F63-Q65 VanDerWaalsContact C-N 3.25Å; F63-Q65 PolarHBondContact O-N 3.31Å; Q65-L76 HydrophobicContact CG-CD2 4.16Å; Q65-K354 PolarHBondContact O-NZ 3.43Å; Q65-K354 VanDerWaalsContact OE1-CD 3.28Å |
| 66 | A | 92.7 | Very high | 93.9 | Very high | 31 Ų | 31 | 19 Ų | 19 | 26% | 0.256 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -102.2 | -24 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A62 F63 L64 K324 V328 | A62-A66 PolarHBondContact O-N 3.43Å; F63-A66 WeakPolarHBondContact O-CA 3.15Å; F63-A66 WeakPolarHBondContact O-CB 3.45Å; F63-A66 PolarHBondContact O-N 3.17Å; L64-A66 PolarHBondContact O-N 2.88Å; L64-A66 VanDerWaalsContact O-N 3.12Å; A66-K324 WeakPolarHBondContact O-CE 3.4Å; A66-K324 PolarHBondContact O-NZ 3.2Å; A66-V328 HydrophobicContact CB-CG1 3.75Å |
| 67 | F | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -117.1 | -3.2 | -174.7 | -66.4 | -72.6 | 0 | 0 | 0 | 114.8 | F63 L64 N69 H70 I73 Y127 L128 V133 K324 V328 | F63-F67 HydrophobicContact CB-CD2 4.45Å; F63-F67 HydrophobicContact CD1-CE2 4.03Å; F63-F67 WeakPolarHBondContact O-CD2 3.49Å; F63-F67 PolarHBondContact O-N 3.24Å; L64-F67 PolarHBondContact O-N 2.96Å; F67-N69 PolarHBondContact O-N 3.41Å; F67-H70 PolarHBondContact O-N 3.08Å; F67-I73 HydrophobicContact CB-CD1 3.88Å; F67-I73 HydrophobicContact CB-CG2 4.25Å; F67-Y127 AromaticContact CD1-CD1 3.8Å; F67-Y127 HydrophobicContact CD1-CD1 3.8Å; F67-Y127 AromaticContact CD1-CE1 3.73Å; F67-Y127 HydrophobicContact CD1-CE1 3.73Å; F67-Y127 HydrophobicContact CE1-CD1 4.49Å; F67-L128 HydrophobicContact CB-CD2 4.22Å; F67-L128 HydrophobicContact CD1-CD2 3.66Å; F67-L128 HydrophobicContact CD2-CD2 3.54Å; F67-L128 HydrophobicContact CE1-CD2 3.77Å; F67-L128 HydrophobicContact CE2-CD2 3.65Å; F67-L128 HydrophobicContact CG-CD2 3.55Å; F67-L128 HydrophobicContact CZ-CD2 3.76Å; F67-V133 HydrophobicContact CE2-CB 4.07Å; F67-V133 HydrophobicContact CE2-CG1 4.16Å; F67-V133 HydrophobicContact CE2-CG2 3.97Å; F67-V133 HydrophobicContact CZ-CB 3.95Å; F67-V133 HydrophobicContact CZ-CG2 3.9Å; F67-K324 VanDerWaalsContact CD1-CE 3.5Å; F67-K324 HydrophobicContact CE1-CD 4.39Å; F67-K324 HydrophobicContact CE1-CG 3.92Å; F67-V328 HydrophobicContact CE1-CG2 4.06Å; F67-V328 HydrophobicContact CE2-CB 4.18Å; F67-V328 HydrophobicContact CE2-CG1 3.93Å; F67-V328 HydrophobicContact CE2-CG2 4.3Å; F67-V328 HydrophobicContact CZ-CB 3.84Å; F67-V328 HydrophobicContact CZ-CG1 4.09Å; F67-V328 HydrophobicContact CZ-CG2 3.66Å |
| 68 | S | 90.2 | Very high | 94.2 | Very high | 55 Ų | 55 | 24.3 Ų | 24.3 | 39% | 0.385 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 11.3 | -178.5 | 67.3 | 0 | 0 | 0 | 0 | 116.4 | L64 | L64-S68 WeakPolarHBondContact O-CB 3.49Å; L64-S68 PolarHBondContact O-N 3.45Å |
| 69 | N | 91 | Very high | 94.3 | Very high | 88 Ų | 88 | 24.2 Ų | 24.2 | 47% | 0.471 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 3.8 | 174.7 | 72 | -66.3 | 0 | 0 | 0 | 112.6 | F67 Y127 M322 K324 | F67-N69 PolarHBondContact O-N 3.41Å; N69-Y127 PolarHBondContact ND2-OH 2.79Å; N69-Y127 PolarHBondContact OD1-OH 3.08Å; N69-Y127 VanDerWaalsContact OD1-OH 3.06Å; N69-M322 WeakPolarHBondContact ND2-CE 3.15Å; N69-M322 WeakPolarHBondContact O-CE 3.26Å; N69-K324 PolarHBondContact OD1-NZ 3.47Å |
| 70 | H | 96.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -97.9 | 132.6 | 176.3 | -172.8 | -89.5 | 0 | 0 | 0 | 110.6 | F67 N72 I73 Y127 M322 | F67-H70 PolarHBondContact O-N 3.08Å; H70-N72 PolarHBondContact ND1-N 3.43Å; H70-N72 PolarHBondContact O-N 3.15Å; H70-N72 VanDerWaalsContact O-N 3.14Å; H70-I73 HydrophobicContact CB-CB 4.25Å; H70-I73 HydrophobicContact CB-CD1 4Å; H70-I73 HydrophobicContact CB-CG1 4.17Å; H70-I73 PolarHBondContact O-N 2.94Å; H70-I73 VanDerWaalsContact O-N 3.11Å; H70-Y127 HydrophobicContact CB-CD1 3.54Å; H70-Y127 HydrophobicContact CB-CE1 3.67Å; H70-Y127 HydrophobicContact CB-CG 4.43Å; H70-Y127 AromaticContact CD2-CD1 3.63Å; H70-Y127 AromaticContact CD2-CG 3.65Å; H70-Y127 AromaticContact CG-CD1 3.71Å; H70-M322 HydrophobicContact CB-SD 4.39Å; H70-M322 VanDerWaalsContact CD2-SD 3.6Å |
| 71 | P | 96.5 | Very high | 94.3 | Very high | 58 Ų | 58 | 30.1 Ų | 30.1 | 38% | 0.377 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -35.7 | -173.3 | 21.4 | -33.4 | 0 | 0 | 0 | 113.4 | K152 | P71-K152 PolarHBondContact O-NZ 3.49Š|
| 72 | N | 98 | Very high | 94.2 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 18.5 | -177.6 | -52.3 | 109.8 | 0 | 0 | 0 | 115.1 | H70 Q120 A124 V151 L153 | H70-N72 PolarHBondContact ND1-N 3.43Å; H70-N72 PolarHBondContact O-N 3.15Å; H70-N72 VanDerWaalsContact O-N 3.14Å; N72-Q120 PolarHBondContact ND2-OE1 3.17Å; N72-A124 HydrophobicContact CB-CB 4.04Å; N72-V151 WeakPolarHBondContact CA-O 3.18Å; N72-V151 VanDerWaalsContact CB-O 3.3Å; N72-V151 WeakPolarHBondContact CB-O 3.49Å; N72-V151 PolarHBondContact ND2-O 3.07Å; N72-L153 WeakPolarHBondContact O-CB 3.14Å; N72-L153 PolarHBondContact O-N 3.45Å |
| 73 | I | 97.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -122.2 | 134.9 | 171.8 | -65 | 176.5 | 0 | 0 | 0 | 107.8 | F67 H70 G75 A124 Y127 L128 F156 | F67-I73 HydrophobicContact CB-CD1 3.88Å; F67-I73 HydrophobicContact CB-CG2 4.25Å; H70-I73 HydrophobicContact CB-CB 4.25Å; H70-I73 HydrophobicContact CB-CD1 4Å; H70-I73 HydrophobicContact CB-CG1 4.17Å; H70-I73 PolarHBondContact O-N 2.94Å; H70-I73 VanDerWaalsContact O-N 3.11Å; I73-G75 PolarHBondContact O-N 2.88Å; I73-A124 HydrophobicContact CG1-CB 4.23Å; I73-Y127 HydrophobicContact CD1-CD1 4.1Å; I73-L128 HydrophobicContact CD1-CD2 3.81Å; I73-L128 HydrophobicContact CD1-CG 4.09Å; I73-F156 HydrophobicContact CG2-CE2 3.82Å; I73-F156 HydrophobicContact CG2-CZ 3.72Å |
| 74 | I | 97.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | trans | -62.5 | 127.3 | -169.4 | -166.5 | 63.6 | 0 | 0 | 0 | 112.8 | L64 L76 F92 E93 M95 L144 K152 L153 C154 | L64-I74 HydrophobicContact CD2-CG2 3.64Å; I74-L76 PolarHBondContact O-N 3.49Å; I74-F92 HydrophobicContact CG1-CB 4.29Å; I74-F92 HydrophobicContact CG1-CD1 3.85Å; I74-F92 HydrophobicContact CG1-CG 4.42Å; I74-F92 HydrophobicContact CG2-CD1 3.99Å; I74-F92 HydrophobicContact CG2-CE1 3.96Å; I74-E93 HydrophobicContact CD1-CB 3.91Å; I74-E93 HydrophobicContact CD1-CG 4.38Å; I74-M95 HydrophobicContact CD1-CG 3.86Å; I74-L144 HydrophobicContact CD1-CD1 3.91Å; I74-L144 HydrophobicContact CG1-CD1 4.13Å; I74-K152 HydrophobicContact CB-CB 4.39Å; I74-K152 HydrophobicContact CD1-CB 4.07Å; I74-K152 HydrophobicContact CD1-CD 3.82Å; I74-L153 PolarHBondContact N-O 2.89Å; I74-C154 HydrophobicContact CB-CB 4.22Å; I74-C154 HydrophobicContact CG2-CB 3.65Å | ||
| 75 | G | 95.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | trans | -68.5 | 113.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I73 Y77 F92 E93 | I73-G75 PolarHBondContact O-N 2.88Å; G75-Y77 PolarHBondContact O-N 3.38Å; G75-F92 CarbonylContact O-C 3.59Å; G75-F92 VanDerWaalsContact O-CA 3.23Å; G75-F92 WeakPolarHBondContact O-CA 3.41Å; G75-E93 PolarHBondContact N-OE2 3.28Å; G75-E93 PolarHBondContact O-N 2.87Å | ||
| 76 | L | 95.7 | Very high | 92.9 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 95.6 | 170.4 | 179 | 64.3 | 0 | 0 | 0 | 110.1 | I61 L64 Q65 I74 V79 L90 F92 | I61-L76 HydrophobicContact CG2-CD2 4.09Å; L64-L76 HydrophobicContact CB-CB 4.09Å; L64-L76 HydrophobicContact CB-CD2 3.87Å; L64-L76 HydrophobicContact CD1-CB 4.46Å; L64-L76 HydrophobicContact CD1-CD2 4.06Å; Q65-L76 HydrophobicContact CG-CD2 4.16Å; I74-L76 PolarHBondContact O-N 3.49Å; L76-V79 HydrophobicContact CD1-CG2 4.25Å; L76-V79 HydrophobicContact CD2-CG2 4Å; L76-V79 HydrophobicContact CG-CG2 4.35Å; L76-L90 HydrophobicContact CD1-CB 4.18Å; L76-L90 HydrophobicContact CD1-CD2 4.33Å; L76-F92 HydrophobicContact CB-CD1 4.26Å; L76-F92 HydrophobicContact CB-CE1 4.15Å; L76-F92 HydrophobicContact CD1-CD1 4.07Å; L76-F92 HydrophobicContact CD1-CE1 3.8Å; L76-F92 HydrophobicContact CD1-CE2 4.27Å; L76-F92 HydrophobicContact CD1-CG 4.44Å; L76-F92 HydrophobicContact CD1-CZ 3.91Å |
| 77 | Y | 93.8 | Very high | 92.8 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 45% | 0.447 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -39.9 | -174.6 | -62.9 | -13.5 | 0 | 0 | 0 | 113.5 | V39 G75 V91 E93 | V39-Y77 HydrophobicContact CG1-CD2 3.93Å; V39-Y77 HydrophobicContact CG1-CE2 4.17Å; G75-Y77 PolarHBondContact O-N 3.38Å; Y77-V91 PolarHBondContact N-O 2.89Å; Y77-E93 HydrophobicContact CE1-CB 3.97Å; Y77-E93 HydrophobicContact CE2-CB 4.12Å; Y77-E93 WeakPolarHBondContact OH-CB 3.33Å; Y77-E93 WeakPolarHBondContact OH-CG 3.32Å |
| 78 | N | 93 | Very high | 92.7 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 157.5 | -178.4 | -156.1 | -6.2 | 0 | 0 | 0 | 112.8 | V91 K355 | N78-V91 HydrophobicContact CB-CB 3.96Å; N78-V91 HydrophobicContact CB-CG2 4.11Å; N78-V91 PolarHBondContact N-O 3.23Å; N78-V91 VanDerWaalsContact N-O 3.14Å; N78-V91 PolarHBondContact O-N 3.03Å; N78-K355 WeakPolarHBondContact OD1-CE 3.1Å; N78-K355 PolarHBondContact OD1-NZ 3.47Å |
| 79 | V | 93.9 | Very high | 93 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.6 | 169.5 | -174.7 | 0 | 0 | 0 | 0 | 109 | I61 L76 I88 L90 I351 K355 | I61-V79 HydrophobicContact CD1-CG1 4.4Å; I61-V79 HydrophobicContact CG2-CG2 4.12Å; L76-V79 HydrophobicContact CD1-CG2 4.25Å; L76-V79 HydrophobicContact CD2-CG2 4Å; L76-V79 HydrophobicContact CG-CG2 4.35Å; V79-I88 HydrophobicContact CG1-CD1 3.51Å; V79-I88 HydrophobicContact CG1-CG1 3.9Å; V79-L90 HydrophobicContact CB-CD2 4.3Å; V79-L90 HydrophobicContact CG1-CD2 3.8Å; V79-L90 HydrophobicContact CG2-CD2 3.77Å; V79-I351 HydrophobicContact CB-CD1 3.68Å; V79-I351 HydrophobicContact CB-CG1 4.05Å; V79-I351 HydrophobicContact CG1-CD1 3.39Å; V79-I351 HydrophobicContact CG1-CG1 4.3Å; V79-I351 HydrophobicContact CG2-CD1 4.4Å; V79-K355 PolarHBondContact O-NZ 3.02Å |
| 80 | I | 93.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.9 | -172.2 | -56.5 | 172.7 | 0 | 0 | 0 | 108.9 | I9 F13 Y89 V91 | I9-I80 HydrophobicContact CD1-CG2 3.79Å; F13-I80 HydrophobicContact CE2-CD1 3.74Å; F13-I80 HydrophobicContact CZ-CD1 4.22Å; I80-Y89 PolarHBondContact N-O 3.46Å; I80-Y89 PolarHBondContact O-N 2.96Å; I80-V91 HydrophobicContact CD1-CG2 4.06Å |
| 81 | R | 92 | Very high | 93.2 | Very high | 130 Ų | 130 | 36 Ų | 36 | 49% | 0.491 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.9 | 175.1 | 176.1 | 170.8 | -171.3 | -162.2 | 3.5 | 110.2 | H8 D85 Y348 | H8-R81 PolarHBondContact NE2-O 2.77Å; R81-D85 IonicContact CZ-OD1 3.9Å; R81-D85 IonicContact CZ-OD2 2.67Å; R81-D85 IonicContact NE-OD1 3.76Å; R81-D85 PolarHBondContact NE-OD1 3.01Å; R81-D85 IonicContact NH2-OD1 2.85Å; R81-D85 PolarHBondContact NH2-OD1 2.99Å; R81-D85 IonicContact NH2-OD2 2.93Å; R81-D85 PolarHBondContact NH2-OD2 3.32Å; R81-Y348 HydrophobicContact CB-CE1 3.96Å; R81-Y348 HydrophobicContact CG-CE1 4.21Å; R81-Y348 HydrophobicContact CG-CE2 3.93Å |
| 82 | A | 91.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | trans | -78.2 | 146.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E6 C84 D85 D87 Y89 | E6-A82 WeakPolarHBondContact OE2-CA 3.35Å; E6-A82 WeakPolarHBondContact OE2-CB 3.35Å; A82-C84 PolarHBondContact O-N 2.97Å; A82-D85 PolarHBondContact O-N 3.15Å; A82-D87 HydrophobicContact CB-CB 3.81Å; A82-D87 WeakPolarHBondContact CB-O 3.34Å; A82-Y89 HydrophobicContact CB-CD2 3.98Å; A82-Y89 HydrophobicContact CB-CE2 3.67Å | ||
| 83 | E | 89.1 | Confident | 93.1 | Very high | 116 Ų | 116 | 35.9 Ų | 35.9 | 54% | 0.542 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.4 | 176.1 | -63.9 | 172.8 | 174.4 | 0 | 0 | 111 | E6 H8 D85 | E6-E83 PolarHBondContact OE1-N 2.97Å; E6-E83 PolarHBondContact OE2-N 3.45Å; H8-E83 IonicContact CD2-OE1 2.79Å; H8-E83 IonicContact CG-OE1 3.21Å; H8-E83 IonicContact ND1-OE1 3.96Å; E83-D85 PolarHBondContact O-N 2.99Å |
| 84 | C | 86.2 | Confident | 93 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 37% | 0.365 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.3 | 175.9 | 79.2 | 0 | 0 | 0 | 0 | 114.7 | E6 A82 K86 D87 | E6-C84 PolarHBondContact OE1-N 2.91Å; A82-C84 PolarHBondContact O-N 2.97Å; C84-K86 PolarHBondContact O-N 2.94Å; C84-D87 VanDerWaalsContact SG-CB 3.57Å; C84-D87 PolarHBondContact SG-N 3.01Å; C84-D87 VanDerWaalsContact SG-N 3.36Å; C84-D87 PolarHBondContact SG-OD2 3.48Å |
| 85 | D | 83.6 | Confident | 93 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 58.3 | 9.6 | 176.7 | -136.4 | 20.2 | 0 | 0 | 0 | 116.7 | R81 A82 E83 R344 | R81-D85 IonicContact CZ-OD1 3.9Å; R81-D85 IonicContact CZ-OD2 2.67Å; R81-D85 IonicContact NE-OD1 3.76Å; R81-D85 PolarHBondContact NE-OD1 3.01Å; R81-D85 IonicContact NH2-OD1 2.85Å; R81-D85 PolarHBondContact NH2-OD1 2.99Å; R81-D85 IonicContact NH2-OD2 2.93Å; R81-D85 PolarHBondContact NH2-OD2 3.32Å; A82-D85 PolarHBondContact O-N 3.15Å; E83-D85 PolarHBondContact O-N 2.99Å; D85-R344 PolarHBondContact O-NH1 3.37Å; D85-R344 IonicContact OD1-CZ 2.87Å; D85-R344 IonicContact OD1-NH1 3.86Å; D85-R344 IonicContact OD2-CZ 2.7Å; D85-R344 IonicContact OD2-NH1 2.85Å; D85-R344 PolarHBondContact OD2-NH1 3.18Å; D85-R344 IonicContact OD2-NH2 3.32Å; D85-R344 PolarHBondContact OD2-NH2 2.81Å |
| 86 | K | 86.6 | Confident | 92.9 | Very high | 121 Ų | 121 | 43.7 Ų | 43.7 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -108.8 | -39.3 | 174 | -63.1 | 174.7 | -173.8 | 176 | 0 | 112.7 | D46 A47 F48 C84 | D46-K86 CarbonylContact C-O 3.34Å; A47-K86 PolarHBondContact N-O 3.31Å; F48-K86 VanDerWaalsContact CD2-O 3.32Å; F48-K86 WeakPolarHBondContact CD2-O 3.13Å; F48-K86 PolarHBondContact N-O 2.79Å; C84-K86 PolarHBondContact O-N 2.94Å |
| 87 | D | 92 | Very high | 92.9 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | trans | -86.1 | 168.2 | 178.6 | -59.9 | -20.3 | 0 | 0 | 0 | 110.4 | K43 N44 F45 D46 A82 C84 | K43-D87 WeakPolarHBondContact CE-OD2 3.46Å; K43-D87 IonicContact NZ-OD2 2.63Å; K43-D87 PolarHBondContact NZ-OD2 3.34Å; N44-D87 VanDerWaalsContact O-CA 3.29Å; N44-D87 WeakPolarHBondContact O-CA 3.49Å; N44-D87 WeakPolarHBondContact O-CB 3.33Å; F45-D87 WeakPolarHBondContact CA-OD1 3.44Å; D46-D87 PolarHBondContact N-OD1 3.24Å; A82-D87 HydrophobicContact CB-CB 3.81Å; A82-D87 WeakPolarHBondContact CB-O 3.34Å; C84-D87 VanDerWaalsContact SG-CB 3.57Å; C84-D87 PolarHBondContact SG-N 3.01Å; C84-D87 VanDerWaalsContact SG-N 3.36Å; C84-D87 PolarHBondContact SG-OD2 3.48Å | ||
| 88 | I | 93.5 | Very high | 93 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.3 | 168.5 | -166.1 | 166.9 | 0 | 0 | 0 | 111.4 | N44 A47 F48 T57 I61 V79 L347 Y348 | N44-I88 HydrophobicContact CB-CG2 3.85Å; N44-I88 PolarHBondContact N-O 3.09Å; N44-I88 PolarHBondContact O-N 2.99Å; N44-I88 VanDerWaalsContact O-N 3.08Å; A47-I88 HydrophobicContact CB-CG2 3.86Å; F48-I88 HydrophobicContact CE2-CB 4.27Å; F48-I88 HydrophobicContact CZ-CD1 4.2Å; T57-I88 HydrophobicContact CG2-CG2 3.9Å; I61-I88 HydrophobicContact CD1-CD1 4.11Å; V79-I88 HydrophobicContact CG1-CD1 3.51Å; V79-I88 HydrophobicContact CG1-CG1 3.9Å; I88-L347 HydrophobicContact CD1-CD2 3.66Å; I88-Y348 HydrophobicContact CD1-CE1 4.1Å |
| 89 | Y | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.9 | 176.1 | -65.1 | -90 | 0 | 0 | 0 | 110.3 | L5 E6 I9 L41 K42 K43 I80 A82 | L5-Y89 HydrophobicContact CD2-CE1 3.7Å; E6-Y89 WeakPolarHBondContact CG-OH 3.32Å; E6-Y89 PolarHBondContact N-OH 3.46Å; E6-Y89 VanDerWaalsContact OE2-CE2 3.32Å; E6-Y89 WeakPolarHBondContact OE2-CE2 3.22Å; I9-Y89 HydrophobicContact CD1-CD1 4.18Å; I9-Y89 HydrophobicContact CD1-CD2 3.78Å; I9-Y89 HydrophobicContact CD1-CE1 4.41Å; I9-Y89 HydrophobicContact CD1-CE2 4.04Å; I9-Y89 HydrophobicContact CD1-CG 3.84Å; I9-Y89 HydrophobicContact CG1-CD1 4.09Å; I9-Y89 HydrophobicContact CG1-CD2 4.09Å; I9-Y89 HydrophobicContact CG1-CE1 3.85Å; I9-Y89 HydrophobicContact CG1-CE2 3.85Å; I9-Y89 HydrophobicContact CG1-CG 4.19Å; L41-Y89 HydrophobicContact CD1-CD1 4.18Å; K42-Y89 WeakPolarHBondContact O-CA 3.42Å; K43-Y89 HydrophobicContact CB-CD1 3.84Å; K43-Y89 HydrophobicContact CB-CE1 3.71Å; K43-Y89 HydrophobicContact CD-CD1 4.47Å; K43-Y89 HydrophobicContact CD-CE1 3.59Å; K43-Y89 WeakPolarHBondContact CE-OH 3.33Å; K43-Y89 HydrophobicContact CG-CD1 4.07Å; K43-Y89 HydrophobicContact CG-CE1 3.66Å; K43-Y89 PolarHBondContact NZ-OH 2.97Å; I80-Y89 PolarHBondContact N-O 3.46Å; I80-Y89 PolarHBondContact O-N 2.96Å; A82-Y89 HydrophobicContact CB-CD2 3.98Å; A82-Y89 HydrophobicContact CB-CE2 3.67Å |
| 90 | L | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.3 | 175.3 | -56.4 | 176.6 | 0 | 0 | 0 | 108.1 | K42 I61 L76 V79 F92 | K42-L90 HydrophobicContact CB-CB 4.32Å; K42-L90 HydrophobicContact CD-CD1 4.24Å; K42-L90 PolarHBondContact N-O 3.08Å; K42-L90 PolarHBondContact O-N 3.21Å; I61-L90 HydrophobicContact CD1-CD2 3.76Å; I61-L90 HydrophobicContact CG1-CD2 3.87Å; L76-L90 HydrophobicContact CD1-CB 4.18Å; L76-L90 HydrophobicContact CD1-CD2 4.33Å; V79-L90 HydrophobicContact CB-CD2 4.3Å; V79-L90 HydrophobicContact CG1-CD2 3.8Å; V79-L90 HydrophobicContact CG2-CD2 3.77Å; L90-F92 HydrophobicContact CB-CD2 4.08Å; L90-F92 HydrophobicContact CB-CE2 3.43Å; L90-F92 VanDerWaalsContact CB-CE2 3.43Å; L90-F92 HydrophobicContact CB-CZ 4.12Å; L90-F92 HydrophobicContact CD1-CE2 4.03Å; L90-F92 HydrophobicContact CD1-CZ 4.11Å; L90-F92 HydrophobicContact CG-CE2 4.36Å |
| 91 | V | 96.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.6 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | F13 V39 L41 Y77 N78 I80 | F13-V91 HydrophobicContact CE1-CG1 4.01Å; F13-V91 HydrophobicContact CE1-CG2 4.37Å; F13-V91 HydrophobicContact CE2-CG2 4.18Å; F13-V91 HydrophobicContact CZ-CG1 4.11Å; F13-V91 HydrophobicContact CZ-CG2 3.71Å; V39-V91 HydrophobicContact CB-CG1 3.87Å; V39-V91 HydrophobicContact CG1-CG1 4.09Å; V39-V91 HydrophobicContact CG2-CG1 3.95Å; L41-V91 HydrophobicContact CD1-CG2 4.05Å; Y77-V91 PolarHBondContact N-O 2.89Å; N78-V91 HydrophobicContact CB-CB 3.96Å; N78-V91 HydrophobicContact CB-CG2 4.11Å; N78-V91 PolarHBondContact N-O 3.23Å; N78-V91 VanDerWaalsContact N-O 3.14Å; N78-V91 PolarHBondContact O-N 3.03Å; I80-V91 HydrophobicContact CD1-CG2 4.06Å |
| 92 | F | 96.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 37 Ų | 37 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 162.6 | -179.2 | -66.3 | -90.2 | 0 | 0 | 0 | 111.5 | V39 A40 K42 L64 I74 G75 L76 L90 | V39-F92 WeakPolarHBondContact CA-O 2.91Å; V39-F92 WeakPolarHBondContact CB-O 3.38Å; A40-F92 HydrophobicContact CB-CB 4.23Å; A40-F92 PolarHBondContact N-O 3.35Å; A40-F92 PolarHBondContact O-N 3.36Å; K42-F92 HydrophobicContact CB-CD2 4.27Å; K42-F92 HydrophobicContact CB-CE2 4.1Å; K42-F92 HydrophobicContact CD-CE2 3.77Å; K42-F92 HydrophobicContact CD-CZ 4.49Å; L64-F92 HydrophobicContact CD1-CE1 3.64Å; L64-F92 HydrophobicContact CD1-CZ 3.84Å; L64-F92 HydrophobicContact CD2-CE1 4.18Å; I74-F92 HydrophobicContact CG1-CB 4.29Å; I74-F92 HydrophobicContact CG1-CD1 3.85Å; I74-F92 HydrophobicContact CG1-CG 4.42Å; I74-F92 HydrophobicContact CG2-CD1 3.99Å; I74-F92 HydrophobicContact CG2-CE1 3.96Å; G75-F92 CarbonylContact O-C 3.59Å; G75-F92 VanDerWaalsContact O-CA 3.23Å; G75-F92 WeakPolarHBondContact O-CA 3.41Å; L76-F92 HydrophobicContact CB-CD1 4.26Å; L76-F92 HydrophobicContact CB-CE1 4.15Å; L76-F92 HydrophobicContact CD1-CD1 4.07Å; L76-F92 HydrophobicContact CD1-CE1 3.8Å; L76-F92 HydrophobicContact CD1-CE2 4.27Å; L76-F92 HydrophobicContact CD1-CG 4.44Å; L76-F92 HydrophobicContact CD1-CZ 3.91Å; L90-F92 HydrophobicContact CB-CD2 4.08Å; L90-F92 HydrophobicContact CB-CE2 3.43Å; L90-F92 VanDerWaalsContact CB-CE2 3.43Å; L90-F92 HydrophobicContact CB-CZ 4.12Å; L90-F92 HydrophobicContact CD1-CE2 4.03Å; L90-F92 HydrophobicContact CD1-CZ 4.11Å; L90-F92 HydrophobicContact CG-CE2 4.36Å |
| 93 | E | 95.6 | Very high | 93.6 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 20% | 0.201 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -45.7 | 141 | 151.4 | -173.6 | 169 | -151.9 | 0 | 0 | 111.3 | I74 G75 Y77 K152 | I74-E93 HydrophobicContact CD1-CB 3.91Å; I74-E93 HydrophobicContact CD1-CG 4.38Å; G75-E93 PolarHBondContact N-OE2 3.28Å; G75-E93 PolarHBondContact O-N 2.87Å; Y77-E93 HydrophobicContact CE1-CB 3.97Å; Y77-E93 HydrophobicContact CE2-CB 4.12Å; Y77-E93 WeakPolarHBondContact OH-CB 3.33Å; Y77-E93 WeakPolarHBondContact OH-CG 3.32Å; E93-K152 HydrophobicContact CG-CD 4.41Å; E93-K152 WeakPolarHBondContact OE1-CE 3.36Å; E93-K152 IonicContact OE1-NZ 2.65Å; E93-K152 PolarHBondContact OE1-NZ 3.17Å; E93-K152 WeakPolarHBondContact OE2-CD 3.23Å; E93-K152 WeakPolarHBondContact OE2-CE 3.17Å; E93-K152 IonicContact OE2-NZ 2.92Å; E93-K152 PolarHBondContact OE2-NZ 2.84Å |
| 94 | Y | 96.7 | Very high | 93.8 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | trans | -89 | 135.3 | 178.1 | 173.9 | -98.5 | 0 | 0 | 0 | 111 | I19 K29 V38 A40 E96 | I19-Y94 HydrophobicContact CD1-CD2 4.3Å; I19-Y94 HydrophobicContact CD1-CE2 3.98Å; I19-Y94 HydrophobicContact CG2-CE2 4.48Å; K29-Y94 HydrophobicContact CB-CD2 4.12Å; K29-Y94 HydrophobicContact CB-CE2 3.71Å; K29-Y94 HydrophobicContact CD-CD2 4.32Å; K29-Y94 HydrophobicContact CD-CE1 4.25Å; K29-Y94 HydrophobicContact CD-CE2 3.69Å; K29-Y94 HydrophobicContact CG-CD2 3.87Å; K29-Y94 HydrophobicContact CG-CE2 3.61Å; V38-Y94 HydrophobicContact CG1-CD1 3.88Å; V38-Y94 HydrophobicContact CG1-CD2 4.35Å; V38-Y94 HydrophobicContact CG1-CG 3.74Å; A40-Y94 HydrophobicContact CB-CD2 4.47Å; Y94-E96 HydrophobicContact CE1-CG 4.06Å | ||
| 95 | M | 96.5 | Very high | 94 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | trans | -126.1 | 147.1 | 169.5 | -59.5 | -59.8 | -70.5 | 0 | 0 | 108.3 | I74 L144 D146 L150 K152 | I74-M95 HydrophobicContact CD1-CG 3.86Å; M95-L144 HydrophobicContact CB-CB 3.82Å; M95-L144 HydrophobicContact CB-CD1 4.36Å; M95-L144 HydrophobicContact CG-CB 3.76Å; M95-L144 HydrophobicContact CG-CD1 4.1Å; M95-D146 HydrophobicContact CE-CB 3.94Å; M95-L150 WeakPolarHBondContact CE-O 3.46Å; M95-K152 HydrophobicContact CE-CB 4.32Å; M95-K152 HydrophobicContact CE-CD 4.08Å; M95-K152 HydrophobicContact CE-CG 3.94Å; M95-K152 HydrophobicContact CG-CB 4.44Å; M95-K152 HydrophobicContact CG-CD 4.23Å; M95-K152 HydrophobicContact SD-CB 4.42Å; M95-K152 HydrophobicContact SD-CD 3.48Å; M95-K152 WeakPolarHBondContact SD-CD 3.41Å; M95-K152 VanDerWaalsContact SD-CE 3.57Å; M95-K152 HydrophobicContact SD-CG 4Å | ||
| 96 | E | 94 | Very high | 93.9 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 47% | 0.467 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -73.6 | -36.8 | -172.8 | -64.5 | 178 | -143.2 | 0 | 0 | 113.6 | Y94 L145 D146 S147 | Y94-E96 HydrophobicContact CE1-CG 4.06Å; E96-L145 PolarHBondContact N-O 2.73Å; E96-L145 VanDerWaalsContact N-O 3.12Å; E96-D146 HydrophobicContact CG-CB 4.37Å; E96-S147 VanDerWaalsContact OE1-CB 3.24Å; E96-S147 WeakPolarHBondContact OE1-CB 2.98Å; E96-S147 PolarHBondContact OE1-N 3.02Å; E96-S147 PolarHBondContact OE1-OG 2.65Å |
| 97 | T | 94.8 | Very high | 93.5 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | -169.8 | -171.2 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | V102 L144 L145 | T97-V102 HydrophobicContact CG2-CG2 3.53Å; T97-L144 WeakPolarHBondContact O-CA 3.43Å; T97-L145 HydrophobicContact CG2-CB 3.99Å; T97-L145 PolarHBondContact N-O 3.06Å; T97-L145 PolarHBondContact O-N 2.85Å |
| 98 | D | 95.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 158.2 | 177.5 | 62.6 | 79.5 | 0 | 0 | 0 | 110.5 | H100 N101 V102 V143 L144 | D98-H100 PolarHBondContact O-N 3.41Å; D98-H100 VanDerWaalsContact OD1-CB 3.3Å; D98-H100 WeakPolarHBondContact OD1-CB 3.35Å; D98-H100 PolarHBondContact OD1-N 2.96Å; D98-H100 VanDerWaalsContact OD1-N 3.15Å; D98-N101 PolarHBondContact O-N 3.4Å; D98-N101 VanDerWaalsContact O-N 3.14Å; D98-N101 PolarHBondContact OD1-N 3.44Å; D98-N101 PolarHBondContact OD1-ND2 3.05Å; D98-N101 PolarHBondContact OD2-ND2 3.01Å; D98-V102 WeakPolarHBondContact O-CG2 3.41Å; D98-V102 PolarHBondContact O-N 2.83Å; D98-V143 CarbonylContact C-O 3.55Å; D98-V143 VanDerWaalsContact CA-O 3.29Å; D98-V143 WeakPolarHBondContact CA-O 3.27Å; D98-L144 HydrophobicContact CB-CD2 4.12Å |
| 99 | L | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -27.9 | -174.2 | -178.9 | 61.9 | 0 | 0 | 0 | 112.5 | V102 I103 L109 I117 P140 V143 L145 I217 M221 | L99-V102 PolarHBondContact O-N 3.45Å; L99-I103 HydrophobicContact CD1-CD1 3.97Å; L99-I103 HydrophobicContact CD1-CG1 3.92Å; L99-I103 HydrophobicContact CD2-CD1 4.38Å; L99-I103 HydrophobicContact CG-CD1 3.77Å; L99-I103 HydrophobicContact CG-CG1 4.18Å; L99-I103 WeakPolarHBondContact O-CB 3.44Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.35Å; L99-L109 HydrophobicContact CD1-CD1 3.9Å; L99-I117 HydrophobicContact CD1-CD1 4.15Å; L99-I117 HydrophobicContact CD2-CG2 4.1Å; L99-P140 HydrophobicContact CB-CB 4.06Å; L99-P140 WeakPolarHBondContact CB-O 3.38Å; L99-P140 HydrophobicContact CD2-CB 4.32Å; L99-P140 HydrophobicContact CG-CB 4.04Å; L99-P140 PolarHBondContact N-O 3.02Å; L99-V143 HydrophobicContact CB-CB 3.94Å; L99-V143 HydrophobicContact CB-CG1 3.96Å; L99-V143 HydrophobicContact CD2-CB 4.3Å; L99-V143 HydrophobicContact CD2-CG1 4.03Å; L99-V143 PolarHBondContact N-O 2.96Å; L99-L145 HydrophobicContact CB-CD1 4.06Å; L99-L145 HydrophobicContact CD1-CD1 4Å; L99-I217 HydrophobicContact CD2-CG2 3.6Å; L99-M221 HydrophobicContact CD1-CG 4.12Å; L99-M221 HydrophobicContact CD1-SD 3.86Å; L99-M221 HydrophobicContact CD2-CG 4.25Å; L99-M221 HydrophobicContact CD2-SD 4Å |
| 100 | H | 95.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 173.9 | -179.5 | 67.4 | 0 | 0 | 0 | 111.1 | D98 V102 I103 R104 P140 | D98-H100 PolarHBondContact O-N 3.41Å; D98-H100 VanDerWaalsContact OD1-CB 3.3Å; D98-H100 WeakPolarHBondContact OD1-CB 3.35Å; D98-H100 PolarHBondContact OD1-N 2.96Å; D98-H100 VanDerWaalsContact OD1-N 3.15Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.24Å; H100-I103 PolarHBondContact O-N 3.45Å; H100-R104 WeakPolarHBondContact O-CB 3.47Å; H100-R104 PolarHBondContact O-N 3.42Å; H100-P140 HydrophobicContact CB-CB 3.86Å; H100-P140 PolarHBondContact N-O 3.27Å |
| 101 | N | 94.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -30 | 175.1 | -85 | -50.4 | 0 | 0 | 0 | 113.2 | D98 K105 | D98-N101 PolarHBondContact O-N 3.4Å; D98-N101 VanDerWaalsContact O-N 3.14Å; D98-N101 PolarHBondContact OD1-N 3.44Å; D98-N101 PolarHBondContact OD1-ND2 3.05Å; D98-N101 PolarHBondContact OD2-ND2 3.01Å; N101-K105 WeakPolarHBondContact O-CG 3.32Å |
| 102 | V | 95.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.7 | -45.3 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | T97 D98 L99 H100 R104 K105 L109 L145 | T97-V102 HydrophobicContact CG2-CG2 3.53Å; D98-V102 WeakPolarHBondContact O-CG2 3.41Å; D98-V102 PolarHBondContact O-N 2.83Å; L99-V102 PolarHBondContact O-N 3.45Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.24Å; V102-R104 VanDerWaalsContact C-N 3.35Å; V102-R104 PolarHBondContact O-N 2.81Å; V102-K105 PolarHBondContact O-N 3.41Å; V102-L109 HydrophobicContact CG1-CD1 4.07Å; V102-L109 HydrophobicContact CG1-CD2 3.75Å; V102-L109 HydrophobicContact CG1-CG 3.75Å; V102-L145 HydrophobicContact CB-CD1 4.27Å; V102-L145 HydrophobicContact CG2-CD1 3.88Å |
| 103 | I | 95.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.9 | -68.2 | 170.9 | 0 | 0 | 0 | 111 | L99 H100 K105 G106 L109 P140 E220 M221 | L99-I103 HydrophobicContact CD1-CD1 3.97Å; L99-I103 HydrophobicContact CD1-CG1 3.92Å; L99-I103 HydrophobicContact CD2-CD1 4.38Å; L99-I103 HydrophobicContact CG-CD1 3.77Å; L99-I103 HydrophobicContact CG-CG1 4.18Å; L99-I103 WeakPolarHBondContact O-CB 3.44Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.35Å; H100-I103 PolarHBondContact O-N 3.45Å; I103-K105 PolarHBondContact O-N 2.77Å; I103-G106 PolarHBondContact O-N 2.73Å; I103-L109 HydrophobicContact CG1-CD1 3.78Å; I103-P140 HydrophobicContact CD1-CB 4.34Å; I103-P140 HydrophobicContact CD1-CG 4.39Å; I103-E220 HydrophobicContact CD1-CG 3.98Å; I103-E220 HydrophobicContact CG2-CG 4.19Å; I103-M221 HydrophobicContact CD1-CB 4.41Å; I103-M221 HydrophobicContact CD1-CG 3.57Å; I103-M221 HydrophobicContact CG1-CG 4.1Å |
| 104 | R | 92.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 61.1 Ų | 61.1 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.1 | -30.6 | 176.4 | 175.4 | 177.6 | 170.8 | 147 | -4.9 | 113.5 | H100 V102 G106 E831 N835 | H100-R104 WeakPolarHBondContact O-CB 3.47Å; H100-R104 PolarHBondContact O-N 3.42Å; V102-R104 VanDerWaalsContact C-N 3.35Å; V102-R104 PolarHBondContact O-N 2.81Å; R104-G106 PolarHBondContact O-N 3.03Å; R104-E831 IonicContact CZ-OE1 2.98Å; R104-E831 IonicContact NE-OE1 3.37Å; R104-E831 IonicContact NH2-OE1 3.03Å; R104-E831 PolarHBondContact NH2-OE1 3.34Å; R104-N835 PolarHBondContact NH1-OD1 3.05Å; R104-N835 PolarHBondContact NH2-OD1 2.95Å |
| 105 | K | 90.8 | Very high | 93.2 | Very high | 136 Ų | 136 | 59.3 Ų | 59.3 | 59% | 0.591 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.8 | 175.4 | -67.8 | 168.8 | -175.9 | 177.1 | 0 | 113.2 | N101 V102 I103 N107 I108 | N101-K105 WeakPolarHBondContact O-CG 3.32Å; V102-K105 PolarHBondContact O-N 3.41Å; I103-K105 PolarHBondContact O-N 2.77Å; K105-N107 PolarHBondContact O-N 3.34Å; K105-I108 HydrophobicContact CB-CD1 3.56Å; K105-I108 HydrophobicContact CB-CG1 4.25Å; K105-I108 HydrophobicContact CD-CD1 3.67Å; K105-I108 HydrophobicContact CG-CD1 4.25Å |
| 106 | G | 81.7 | Confident | 93.3 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | trans | 76.2 | -119.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | I103 R104 I108 | I103-G106 PolarHBondContact O-N 2.73Å; R104-G106 PolarHBondContact O-N 3.03Å; G106-I108 PolarHBondContact O-N 3.2Å | ||
| 107 | N | 77.9 | Confident | 93.5 | Very high | 169 Ų | 169 | 57.6 Ų | 57.6 | 90% | 0.904 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 16.4 | -158.5 | -65.2 | -10.1 | 0 | 0 | 0 | 116.2 | K105 | K105-N107 PolarHBondContact O-N 3.34Š|
| 108 | I | 89.8 | Confident | 93.6 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 46% | 0.462 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -33.5 | 175.4 | -55.6 | -175.6 | 0 | 0 | 0 | 111.2 | K105 G106 K110 H113 | K105-I108 HydrophobicContact CB-CD1 3.56Å; K105-I108 HydrophobicContact CB-CG1 4.25Å; K105-I108 HydrophobicContact CD-CD1 3.67Å; K105-I108 HydrophobicContact CG-CD1 4.25Å; G106-I108 PolarHBondContact O-N 3.2Å; I108-K110 PolarHBondContact O-N 2.54Å; I108-K110 VanDerWaalsContact O-N 3.13Å; I108-H113 PolarHBondContact O-CE1 2.85Å; I108-H113 PolarHBondContact O-ND1 3.15Å |
| 109 | L | 91.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | trans | -83.5 | 89.1 | -179.3 | -66.6 | 177.7 | 0 | 0 | 0 | 112 | L99 V102 I103 H113 K114 I117 M221 | L99-L109 HydrophobicContact CD1-CD1 3.9Å; V102-L109 HydrophobicContact CG1-CD1 4.07Å; V102-L109 HydrophobicContact CG1-CD2 3.75Å; V102-L109 HydrophobicContact CG1-CG 3.75Å; I103-L109 HydrophobicContact CG1-CD1 3.78Å; L109-H113 HydrophobicContact CD2-CB 3.83Å; L109-K114 HydrophobicContact CB-CG 4.14Å; L109-K114 WeakPolarHBondContact O-CE 3.35Å; L109-I117 HydrophobicContact CD2-CD1 3.74Å; L109-M221 HydrophobicContact CD1-CG 4.09Å; L109-M221 HydrophobicContact CD1-SD 4.21Å | ||
| 110 | K | 93.7 | Very high | 93.8 | Very high | 143 Ų | 143 | 55.1 Ų | 55.1 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | trans | -59.9 | 153.3 | 159.8 | -61.1 | 179.8 | 179.6 | 177.9 | 0 | 109.9 | I108 I112 H113 K114 | I108-K110 PolarHBondContact O-N 2.54Å; I108-K110 VanDerWaalsContact O-N 3.13Å; K110-I112 HydrophobicContact CB-CG2 3.74Å; K110-I112 PolarHBondContact O-N 3.49Å; K110-H113 PolarHBondContact N-ND1 3.35Å; K110-H113 WeakPolarHBondContact O-CA 2.89Å; K110-H113 WeakPolarHBondContact O-CB 3.31Å; K110-H113 PolarHBondContact O-N 2.84Å; K110-K114 PolarHBondContact O-N 3.43Å | ||
| 111 | D | 93.7 | Very high | 94 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -32.3 | -177.8 | -171.8 | 55.4 | 0 | 0 | 0 | 113.2 | H113 K114 Q115 Y311 | D111-H113 VanDerWaalsContact C-N 3.28Å; D111-H113 PolarHBondContact O-N 2.93Å; D111-K114 PolarHBondContact O-N 2.93Å; D111-K114 VanDerWaalsContact O-N 3.13Å; D111-Q115 WeakPolarHBondContact O-CG 3.37Å; D111-Q115 PolarHBondContact O-N 3.12Å; D111-Q115 PolarHBondContact OD2-NE2 3.31Å; D111-Y311 PolarHBondContact OD1-OH 3.14Å |
| 112 | I | 95.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.1 | -40.7 | 169.9 | 178.7 | 68.2 | 0 | 0 | 0 | 112.6 | K110 Y116 F315 | K110-I112 HydrophobicContact CB-CG2 3.74Å; K110-I112 PolarHBondContact O-N 3.49Å; I112-Y116 WeakPolarHBondContact O-CB 3.49Å; I112-Y116 PolarHBondContact O-N 2.95Å; I112-Y116 VanDerWaalsContact O-N 3.09Å; I112-F315 HydrophobicContact CD1-CE1 4.33Å; I112-F315 HydrophobicContact CD1-CZ 3.67Å |
| 113 | H | 96.4 | Very high | 94.3 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 25% | 0.25 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.3 | -42.6 | 176.2 | -49.5 | 161.4 | 0 | 0 | 0 | 110.4 | I108 L109 K110 D111 Q115 Y116 I117 | I108-H113 PolarHBondContact O-CE1 2.85Å; I108-H113 PolarHBondContact O-ND1 3.15Å; L109-H113 HydrophobicContact CD2-CB 3.83Å; K110-H113 PolarHBondContact N-ND1 3.35Å; K110-H113 WeakPolarHBondContact O-CA 2.89Å; K110-H113 WeakPolarHBondContact O-CB 3.31Å; K110-H113 PolarHBondContact O-N 2.84Å; D111-H113 VanDerWaalsContact C-N 3.28Å; D111-H113 PolarHBondContact O-N 2.93Å; H113-Q115 PolarHBondContact O-N 3Å; H113-Y116 PolarHBondContact O-N 3.14Å; H113-I117 WeakPolarHBondContact O-CB 3.48Å; H113-I117 WeakPolarHBondContact O-CD1 3.1Å; H113-I117 WeakPolarHBondContact O-CG1 3.32Å; H113-I117 PolarHBondContact O-N 3.4Å |
| 114 | K | 96.6 | Very high | 94.4 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 178 | -55.8 | -177.2 | -165.6 | -167.6 | 0 | 111.4 | L109 K110 D111 M118 M221 L222 | L109-K114 HydrophobicContact CB-CG 4.14Å; L109-K114 WeakPolarHBondContact O-CE 3.35Å; K110-K114 PolarHBondContact O-N 3.43Å; D111-K114 PolarHBondContact O-N 2.93Å; D111-K114 VanDerWaalsContact O-N 3.13Å; K114-M118 WeakPolarHBondContact O-CG 3.48Å; K114-M118 PolarHBondContact O-N 2.85Å; K114-M221 HydrophobicContact CB-SD 4.45Å; K114-M221 HydrophobicContact CD-CB 4.28Å; K114-M221 WeakPolarHBondContact CE-O 3.47Å; K114-M221 HydrophobicContact CG-CB 4.34Å; K114-M221 HydrophobicContact CG-SD 4.47Å; K114-M221 PolarHBondContact NZ-O 3.26Å; K114-L222 HydrophobicContact CD-CD2 4.27Å |
| 115 | Q | 97.5 | Very high | 94.7 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 174.8 | -67.4 | 178.1 | 19.6 | 0 | 0 | 111.9 | D111 H113 M118 Y119 Y311 F315 | D111-Q115 WeakPolarHBondContact O-CG 3.37Å; D111-Q115 PolarHBondContact O-N 3.12Å; D111-Q115 PolarHBondContact OD2-NE2 3.31Å; H113-Q115 PolarHBondContact O-N 3Å; Q115-M118 PolarHBondContact O-N 3.24Å; Q115-Y119 PolarHBondContact O-N 2.86Å; Q115-Y311 HydrophobicContact CB-CE1 4.39Å; Q115-Y311 VanDerWaalsContact CD-O 3.22Å; Q115-Y311 HydrophobicContact CG-CD1 4.11Å; Q115-Y311 HydrophobicContact CG-CD2 3.74Å; Q115-Y311 HydrophobicContact CG-CE1 3.71Å; Q115-Y311 HydrophobicContact CG-CE2 3.3Å; Q115-Y311 HydrophobicContact CG-CG 4.14Å; Q115-Y311 VanDerWaalsContact CG-O 3.27Å; Q115-Y311 WeakPolarHBondContact CG-O 3.36Å; Q115-Y311 PolarHBondContact OE1-O 3.47Å; Q115-F315 HydrophobicContact CB-CE2 3.77Å |
| 116 | Y | 97.8 | Very high | 95 | Very high | 79 Ų | 79 | 39 Ų | 39 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69 | -36.7 | -177.9 | -172.7 | -128.5 | 0 | 0 | 0 | 112.9 | I112 H113 Y119 Q120 C149 F315 | I112-Y116 WeakPolarHBondContact O-CB 3.49Å; I112-Y116 PolarHBondContact O-N 2.95Å; I112-Y116 VanDerWaalsContact O-N 3.09Å; H113-Y116 PolarHBondContact O-N 3.14Å; Y116-Y119 HydrophobicContact CD2-CD1 4.29Å; Y116-Y119 HydrophobicContact CE2-CD1 4.32Å; Y116-Q120 VanDerWaalsContact CD1-NE2 3.28Å; Y116-Q120 HydrophobicContact CE2-CG 4.25Å; Y116-Q120 WeakPolarHBondContact O-CG 3.37Å; Y116-Q120 PolarHBondContact O-N 3.26Å; Y116-Q120 PolarHBondContact O-NE2 3.38Å; Y116-Q120 VanDerWaalsContact O-NE2 3.13Å; Y116-C149 HydrophobicContact CD1-CB 4.25Å; Y116-F315 AromaticContact CD2-CD1 3.87Å; Y116-F315 HydrophobicContact CD2-CD1 3.87Å; Y116-F315 HydrophobicContact CD2-CD2 4.36Å; Y116-F315 AromaticContact CD2-CE1 3.75Å; Y116-F315 HydrophobicContact CD2-CE1 3.75Å; Y116-F315 HydrophobicContact CD2-CE2 4.26Å; Y116-F315 HydrophobicContact CD2-CG 4.16Å; Y116-F315 AromaticContact CD2-CZ 3.94Å; Y116-F315 HydrophobicContact CD2-CZ 3.94Å; Y116-F315 HydrophobicContact CE2-CD1 4.41Å; Y116-F315 HydrophobicContact CG-CE1 4.32Å; Y116-F315 HydrophobicContact CG-CZ 4.16Å |
| 117 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 173.4 | -71 | 163.4 | 0 | 0 | 0 | 110.1 | L99 L109 H113 Q120 L121 L145 V151 M221 | L99-I117 HydrophobicContact CD1-CD1 4.15Å; L99-I117 HydrophobicContact CD2-CG2 4.1Å; L109-I117 HydrophobicContact CD2-CD1 3.74Å; H113-I117 WeakPolarHBondContact O-CB 3.48Å; H113-I117 WeakPolarHBondContact O-CD1 3.1Å; H113-I117 WeakPolarHBondContact O-CG1 3.32Å; H113-I117 PolarHBondContact O-N 3.4Å; I117-Q120 PolarHBondContact O-N 3.06Å; I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 HydrophobicContact CG2-CG 4.5Å; I117-L121 WeakPolarHBondContact O-CB 3.27Å; I117-L121 VanDerWaalsContact O-CG 3.29Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 3.3Å; I117-L145 HydrophobicContact CD1-CD1 4.39Å; I117-L145 HydrophobicContact CD1-CD2 4.37Å; I117-L145 HydrophobicContact CG1-CD2 4.21Å; I117-V151 HydrophobicContact CB-CG2 4.11Å; I117-V151 HydrophobicContact CG1-CG2 3.99Å; I117-V151 HydrophobicContact CG2-CG2 3.92Å; I117-M221 HydrophobicContact CB-CE 4.49Å; I117-M221 HydrophobicContact CB-SD 4.28Å; I117-M221 HydrophobicContact CD1-SD 4.26Å; I117-M221 HydrophobicContact CG2-CE 4.05Å; I117-M221 HydrophobicContact CG2-SD 3.88Å |
| 118 | M | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.4 | -70.1 | -50.5 | -61.1 | 0 | 0 | 112.9 | K114 Q115 Q120 L121 F122 L214 L218 M221 M292 V312 | K114-M118 WeakPolarHBondContact O-CG 3.48Å; K114-M118 PolarHBondContact O-N 2.85Å; Q115-M118 PolarHBondContact O-N 3.24Å; M118-Q120 PolarHBondContact O-N 2.89Å; M118-L121 PolarHBondContact O-N 2.97Å; M118-L121 HydrophobicContact SD-CD1 4.16Å; M118-F122 HydrophobicContact CB-CD2 4.44Å; M118-F122 HydrophobicContact CB-CE2 3.97Å; M118-F122 HydrophobicContact CB-CZ 4.48Å; M118-F122 HydrophobicContact CE-CE1 3.79Å; M118-F122 HydrophobicContact CE-CE2 4.07Å; M118-F122 HydrophobicContact CE-CZ 3.45Å; M118-F122 VanDerWaalsContact CE-CZ 3.45Å; M118-F122 WeakPolarHBondContact O-CD2 3.45Å; M118-F122 VanDerWaalsContact O-CG 3.29Å; M118-F122 WeakPolarHBondContact O-CG 3.42Å; M118-F122 PolarHBondContact O-N 2.84Å; M118-L214 HydrophobicContact CE-CB 4.25Å; M118-L218 HydrophobicContact CE-CB 4.05Å; M118-L218 HydrophobicContact CE-CD2 4.38Å; M118-L218 HydrophobicContact CG-CD1 3.88Å; M118-L218 HydrophobicContact SD-CB 3.9Å; M118-L218 HydrophobicContact SD-CD1 4.26Å; M118-M221 HydrophobicContact CG-CE 3.71Å; M118-M221 HydrophobicContact SD-CE 3.45Å; M118-M221 WeakPolarHBondContact SD-CE 3.36Å; M118-M292 HydrophobicContact CE-CE 4.12Å; M118-V312 HydrophobicContact CB-CG1 4.03Å |
| 119 | Y | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.4 | -52.2 | 174.9 | 169.6 | -114.7 | 0 | 0 | 0 | 111.7 | Q115 Y116 L121 F122 K123 L307 F315 | Q115-Y119 PolarHBondContact O-N 2.86Å; Y116-Y119 HydrophobicContact CD2-CD1 4.29Å; Y116-Y119 HydrophobicContact CE2-CD1 4.32Å; Y119-L121 PolarHBondContact O-N 3.31Å; Y119-F122 PolarHBondContact O-N 3.45Å; Y119-K123 HydrophobicContact CE1-CD 4.45Å; Y119-K123 WeakPolarHBondContact O-CB 3.3Å; Y119-K123 PolarHBondContact O-N 2.9Å; Y119-L307 HydrophobicContact CD2-CD2 3.58Å; Y119-L307 HydrophobicContact CE2-CD2 3.54Å; Y119-F315 HydrophobicContact CD1-CB 3.56Å; Y119-F315 HydrophobicContact CD1-CG 4.26Å; Y119-F315 HydrophobicContact CD2-CB 3.91Å; Y119-F315 HydrophobicContact CE1-CB 3.83Å; Y119-F315 HydrophobicContact CE2-CB 4.18Å; Y119-F315 WeakPolarHBondContact CE2-O 3.45Å; Y119-F315 HydrophobicContact CG-CB 3.6Å; Y119-F315 HydrophobicContact CG-CD2 4.39Å; Y119-F315 HydrophobicContact CG-CG 4.33Å; Y119-F315 PolarHBondContact OH-O 3.31Å; Y119-F315 VanDerWaalsContact OH-O 3.07Å |
| 120 | Q | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | -179.5 | -67.5 | 175.5 | 83.9 | 0 | 0 | 113 | N72 Y116 I117 M118 K123 A124 C149 V151 | N72-Q120 PolarHBondContact ND2-OE1 3.17Å; Y116-Q120 VanDerWaalsContact CD1-NE2 3.28Å; Y116-Q120 HydrophobicContact CE2-CG 4.25Å; Y116-Q120 WeakPolarHBondContact O-CG 3.37Å; Y116-Q120 PolarHBondContact O-N 3.26Å; Y116-Q120 PolarHBondContact O-NE2 3.38Å; Y116-Q120 VanDerWaalsContact O-NE2 3.13Å; I117-Q120 PolarHBondContact O-N 3.06Å; M118-Q120 PolarHBondContact O-N 2.89Å; Q120-K123 PolarHBondContact O-N 2.83Å; Q120-A124 PolarHBondContact O-N 2.83Å; Q120-C149 PolarHBondContact NE2-O 3.09Å; Q120-V151 HydrophobicContact CB-CB 3.75Å; Q120-V151 HydrophobicContact CB-CG1 4.4Å; Q120-V151 HydrophobicContact CB-CG2 4.06Å |
| 121 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 172.5 | -74.3 | 171.1 | 0 | 0 | 0 | 111.6 | I117 M118 Y119 K123 A124 I125 V143 V151 L153 L214 I217 | I117-L121 HydrophobicContact CG2-CD1 3.88Å; I117-L121 HydrophobicContact CG2-CG 4.5Å; I117-L121 WeakPolarHBondContact O-CB 3.27Å; I117-L121 VanDerWaalsContact O-CG 3.29Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 3.3Å; M118-L121 PolarHBondContact O-N 2.97Å; M118-L121 HydrophobicContact SD-CD1 4.16Å; Y119-L121 PolarHBondContact O-N 3.31Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 2.88Å; L121-A124 PolarHBondContact O-N 2.92Å; L121-I125 WeakPolarHBondContact O-CB 3.2Å; L121-I125 WeakPolarHBondContact O-CG1 3.42Å; L121-I125 PolarHBondContact O-N 2.65Å; L121-V143 HydrophobicContact CD1-CG1 4.46Å; L121-V143 HydrophobicContact CD2-CG1 4.01Å; L121-V143 HydrophobicContact CD2-CG2 3.83Å; L121-V151 HydrophobicContact CD2-CG1 3.77Å; L121-V151 HydrophobicContact CG-CG1 4.08Å; L121-L153 HydrophobicContact CD2-CD1 4.16Å; L121-L214 HydrophobicContact CB-CD1 4.48Å; L121-L214 HydrophobicContact CB-CD2 3.89Å; L121-L214 HydrophobicContact CD1-CD2 4Å; L121-L214 HydrophobicContact CD2-CD2 4.25Å; L121-L214 HydrophobicContact CG-CD2 4.27Å; L121-I217 HydrophobicContact CD1-CG2 4.35Å |
| 122 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 174.9 | -61.6 | -46.7 | 0 | 0 | 0 | 111.9 | M118 Y119 I125 A126 L214 L288 M292 A306 L307 V312 | M118-F122 HydrophobicContact CB-CD2 4.44Å; M118-F122 HydrophobicContact CB-CE2 3.97Å; M118-F122 HydrophobicContact CB-CZ 4.48Å; M118-F122 HydrophobicContact CE-CE1 3.79Å; M118-F122 HydrophobicContact CE-CE2 4.07Å; M118-F122 HydrophobicContact CE-CZ 3.45Å; M118-F122 VanDerWaalsContact CE-CZ 3.45Å; M118-F122 WeakPolarHBondContact O-CD2 3.45Å; M118-F122 VanDerWaalsContact O-CG 3.29Å; M118-F122 WeakPolarHBondContact O-CG 3.42Å; M118-F122 PolarHBondContact O-N 2.84Å; Y119-F122 PolarHBondContact O-N 3.45Å; F122-I125 PolarHBondContact O-N 3.19Å; F122-A126 VanDerWaalsContact O-CB 3.25Å; F122-A126 WeakPolarHBondContact O-CB 3.23Å; F122-A126 PolarHBondContact O-N 3.24Å; F122-L214 HydrophobicContact CD1-CD1 3.65Å; F122-L214 HydrophobicContact CE1-CD1 3.79Å; F122-L288 HydrophobicContact CE2-CD2 4.09Å; F122-L288 HydrophobicContact CZ-CD1 4.15Å; F122-L288 HydrophobicContact CZ-CD2 4.08Å; F122-M292 HydrophobicContact CE1-CE 3.6Å; F122-M292 HydrophobicContact CE1-SD 4Å; F122-M292 HydrophobicContact CZ-CE 3.9Å; F122-M292 HydrophobicContact CZ-SD 3.76Å; F122-A306 HydrophobicContact CD1-CB 3.68Å; F122-A306 HydrophobicContact CD2-CB 4.01Å; F122-A306 HydrophobicContact CE1-CB 3.71Å; F122-A306 HydrophobicContact CE2-CB 4.04Å; F122-A306 HydrophobicContact CG-CB 3.86Å; F122-A306 HydrophobicContact CZ-CB 3.89Å; F122-L307 HydrophobicContact CB-CD2 3.85Å; F122-L307 HydrophobicContact CB-CG 3.8Å; F122-V312 HydrophobicContact CD2-CG1 4.48Å; F122-V312 HydrophobicContact CD2-CG2 4.24Å; F122-V312 HydrophobicContact CE2-CG1 4.2Å; F122-V312 HydrophobicContact CE2-CG2 4.34Å |
| 123 | K | 97.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 15.8 Ų | 15.8 | 8% | 0.078 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 174.9 | -164.2 | 175.8 | 174.1 | -174.8 | 0 | 111.4 | Y119 Q120 L121 Y127 L307 E320 I321 | Y119-K123 HydrophobicContact CE1-CD 4.45Å; Y119-K123 WeakPolarHBondContact O-CB 3.3Å; Y119-K123 PolarHBondContact O-N 2.9Å; Q120-K123 PolarHBondContact O-N 2.83Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 2.88Å; K123-Y127 PolarHBondContact O-N 2.87Å; K123-L307 HydrophobicContact CB-CD2 4.17Å; K123-E320 WeakPolarHBondContact CE-O 3.43Å; K123-E320 IonicContact NZ-OE2 2.73Å; K123-E320 PolarHBondContact NZ-OE2 3.03Å; K123-I321 HydrophobicContact CG-CD1 4.22Å |
| 124 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N72 I73 Q120 L121 Y127 L128 L153 | N72-A124 HydrophobicContact CB-CB 4.04Å; I73-A124 HydrophobicContact CG1-CB 4.23Å; Q120-A124 PolarHBondContact O-N 2.83Å; L121-A124 PolarHBondContact O-N 2.92Å; A124-Y127 PolarHBondContact O-N 2.93Å; A124-L128 WeakPolarHBondContact O-CG 3.38Å; A124-L128 PolarHBondContact O-N 2.99Å; A124-L128 VanDerWaalsContact O-N 3.11Å; A124-L153 HydrophobicContact CB-CD1 4.01Å |
| 125 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -70.6 | -37.7 | -178.6 | -65.4 | -47.2 | 0 | 0 | 0 | 111.8 | L121 F122 Y127 L128 H129 L138 L153 D210 I211 L214 A303 | L121-I125 WeakPolarHBondContact O-CB 3.2Å; L121-I125 WeakPolarHBondContact O-CG1 3.42Å; L121-I125 PolarHBondContact O-N 2.65Å; F122-I125 PolarHBondContact O-N 3.19Å; I125-Y127 VanDerWaalsContact C-N 3.28Å; I125-Y127 PolarHBondContact O-N 3.09Å; I125-L128 HydrophobicContact CD1-CD1 3.91Å; I125-L128 PolarHBondContact O-N 3.39Å; I125-H129 WeakPolarHBondContact CG2-CE1 3.47Å; I125-H129 WeakPolarHBondContact CG2-NE2 3.34Å; I125-H129 VanDerWaalsContact O-CB 3.23Å; I125-H129 WeakPolarHBondContact O-CB 3.46Å; I125-H129 PolarHBondContact O-CD2 3.12Å; I125-H129 VanDerWaalsContact O-CG 3.25Å; I125-H129 PolarHBondContact O-N 3.45Å; I125-L138 HydrophobicContact CD1-CD1 3.79Å; I125-L138 HydrophobicContact CD1-CD2 4.17Å; I125-L138 HydrophobicContact CG1-CD1 4.2Å; I125-L153 HydrophobicContact CD1-CD1 3.6Å; I125-L153 HydrophobicContact CG1-CD1 4.31Å; I125-D210 HydrophobicContact CG2-CB 4.23Å; I125-I211 HydrophobicContact CG2-CD1 4.45Å; I125-L214 HydrophobicContact CB-CD1 4.37Å; I125-L214 HydrophobicContact CG1-CD1 3.86Å; I125-L214 HydrophobicContact CG1-CG 4.42Å; I125-A303 HydrophobicContact CB-CB 4.22Å; I125-A303 HydrophobicContact CG2-CB 3.91Å |
| 126 | A | 97.7 | Very high | 97 | Very high | 12 Ų | 12 | 12.7 Ų | 12.7 | 10% | 0.099 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.4 | -42.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F122 H129 S130 A303 L307 | F122-A126 VanDerWaalsContact O-CB 3.25Å; F122-A126 WeakPolarHBondContact O-CB 3.23Å; F122-A126 PolarHBondContact O-N 3.24Å; A126-H129 PolarHBondContact O-N 2.83Å; A126-S130 WeakPolarHBondContact O-CB 3.41Å; A126-S130 PolarHBondContact O-N 3.28Å; A126-A303 HydrophobicContact CB-CB 3.94Å; A126-L307 HydrophobicContact CB-CD1 4.11Å |
| 127 | Y | 97.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 9.9 Ų | 9.9 | 3% | 0.027 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64 | -45 | 176.3 | -169.5 | -127.3 | 0 | 0 | 0 | 112.9 | F67 N69 H70 I73 K123 A124 I125 S130 G131 M322 K324 | F67-Y127 AromaticContact CD1-CD1 3.8Å; F67-Y127 HydrophobicContact CD1-CD1 3.8Å; F67-Y127 AromaticContact CD1-CE1 3.73Å; F67-Y127 HydrophobicContact CD1-CE1 3.73Å; F67-Y127 HydrophobicContact CE1-CD1 4.49Å; N69-Y127 PolarHBondContact ND2-OH 2.79Å; N69-Y127 PolarHBondContact OD1-OH 3.08Å; N69-Y127 VanDerWaalsContact OD1-OH 3.06Å; H70-Y127 HydrophobicContact CB-CD1 3.54Å; H70-Y127 HydrophobicContact CB-CE1 3.67Å; H70-Y127 HydrophobicContact CB-CG 4.43Å; H70-Y127 AromaticContact CD2-CD1 3.63Å; H70-Y127 AromaticContact CD2-CG 3.65Å; H70-Y127 AromaticContact CG-CD1 3.71Å; I73-Y127 HydrophobicContact CD1-CD1 4.1Å; K123-Y127 PolarHBondContact O-N 2.87Å; A124-Y127 PolarHBondContact O-N 2.93Å; I125-Y127 VanDerWaalsContact C-N 3.28Å; I125-Y127 PolarHBondContact O-N 3.09Å; Y127-S130 PolarHBondContact O-N 2.65Å; Y127-S130 PolarHBondContact O-OG 2.87Å; Y127-G131 PolarHBondContact O-N 3.01Å; Y127-M322 HydrophobicContact CD2-CB 3.7Å; Y127-M322 WeakPolarHBondContact CD2-O 3.35Å; Y127-M322 HydrophobicContact CE2-CB 3.76Å; Y127-M322 HydrophobicContact CG-CB 4.4Å; Y127-K324 HydrophobicContact CD2-CG 4.4Å; Y127-K324 HydrophobicContact CE1-CD 4.47Å; Y127-K324 HydrophobicContact CE2-CD 3.86Å; Y127-K324 HydrophobicContact CE2-CG 3.96Å; Y127-K324 VanDerWaalsContact CZ-CE 3.47Å; Y127-K324 VanDerWaalsContact OH-CE 3.27Å; Y127-K324 WeakPolarHBondContact OH-CE 3.4Å; Y127-K324 PolarHBondContact OH-NZ 3.3Å |
| 128 | L | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.7 | -66.2 | -179.9 | 0 | 0 | 0 | 112.2 | F67 I73 A124 I125 G131 E132 V133 H135 F156 | F67-L128 HydrophobicContact CB-CD2 4.22Å; F67-L128 HydrophobicContact CD1-CD2 3.66Å; F67-L128 HydrophobicContact CD2-CD2 3.54Å; F67-L128 HydrophobicContact CE1-CD2 3.77Å; F67-L128 HydrophobicContact CE2-CD2 3.65Å; F67-L128 HydrophobicContact CG-CD2 3.55Å; F67-L128 HydrophobicContact CZ-CD2 3.76Å; I73-L128 HydrophobicContact CD1-CD2 3.81Å; I73-L128 HydrophobicContact CD1-CG 4.09Å; A124-L128 WeakPolarHBondContact O-CG 3.38Å; A124-L128 PolarHBondContact O-N 2.99Å; A124-L128 VanDerWaalsContact O-N 3.11Å; I125-L128 HydrophobicContact CD1-CD1 3.91Å; I125-L128 PolarHBondContact O-N 3.39Å; L128-G131 CarbonylContact O-C 3.56Å; L128-G131 WeakPolarHBondContact O-CA 3.43Å; L128-G131 PolarHBondContact O-N 2.81Å; L128-E132 PolarHBondContact O-N 2.9Å; L128-V133 CarbonylContact C-O 3.58Å; L128-V133 PolarHBondContact O-N 2.89Å; L128-H135 HydrophobicContact CD1-CB 4.49Å; L128-F156 HydrophobicContact CD1-CE1 3.74Å; L128-F156 HydrophobicContact CD1-CZ 4.23Å; L128-F156 HydrophobicContact CD2-CE1 3.68Å; L128-F156 HydrophobicContact CD2-CZ 4.28Å; L128-F156 HydrophobicContact CG-CE1 4.38Å |
| 129 | H | 97.2 | Very high | 96.6 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 4% | 0.042 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.2 | -30.4 | -177.8 | -75.5 | -168.6 | 0 | 0 | 0 | 112.9 | I125 A126 G131 E132 V133 K207 D210 | I125-H129 WeakPolarHBondContact CG2-CE1 3.47Å; I125-H129 WeakPolarHBondContact CG2-NE2 3.34Å; I125-H129 VanDerWaalsContact O-CB 3.23Å; I125-H129 WeakPolarHBondContact O-CB 3.46Å; I125-H129 PolarHBondContact O-CD2 3.12Å; I125-H129 VanDerWaalsContact O-CG 3.25Å; I125-H129 PolarHBondContact O-N 3.45Å; A126-H129 PolarHBondContact O-N 2.83Å; H129-G131 PolarHBondContact O-N 3.27Å; H129-E132 PolarHBondContact O-N 2.8Å; H129-E132 VanDerWaalsContact O-N 3.15Å; H129-V133 PolarHBondContact CD2-O 2.88Å; H129-K207 HydrophobicContact CB-CD 3.95Å; H129-K207 HydrophobicContact CB-CG 4.29Å; H129-K207 PolarHBondContact CE1-O 3.34Å; H129-K207 WeakPolarHBondContact O-CE 3.47Å; H129-K207 PolarHBondContact O-NZ 3.11Å; H129-D210 IonicContact CD2-OD2 3.09Å; H129-D210 IonicContact CE1-OD2 3.56Å; H129-D210 IonicContact NE2-OD2 3.74Å; H129-D210 PolarHBondContact NE2-OD2 2.94Å |
| 130 | S | 96.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 10.4 Ų | 10.4 | 25% | 0.245 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.1 | -30.1 | 169.3 | 73.4 | 0 | 0 | 0 | 0 | 112.1 | A126 Y127 E132 K324 | A126-S130 WeakPolarHBondContact O-CB 3.41Å; A126-S130 PolarHBondContact O-N 3.28Å; Y127-S130 PolarHBondContact O-N 2.65Å; Y127-S130 PolarHBondContact O-OG 2.87Å; S130-E132 VanDerWaalsContact C-N 3.26Å; S130-E132 PolarHBondContact O-N 2.91Å; S130-K324 PolarHBondContact OG-N 3.21Å |
| 131 | G | 94.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 8.2 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y127 L128 H129 V133 N327 V328 | Y127-G131 PolarHBondContact O-N 3.01Å; L128-G131 CarbonylContact O-C 3.56Å; L128-G131 WeakPolarHBondContact O-CA 3.43Å; L128-G131 PolarHBondContact O-N 2.81Å; H129-G131 PolarHBondContact O-N 3.27Å; G131-V133 PolarHBondContact O-N 3.43Å; G131-N327 CarbonylContact O-C 3.5Å; G131-N327 WeakPolarHBondContact O-CA 3.2Å; G131-V328 PolarHBondContact O-N 3.25Å |
| 132 | E | 94.9 | Very high | 96.2 | Very high | 50 Ų | 50 | 12.4 Ų | 12.4 | 23% | 0.234 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.4 | -170.1 | -68.9 | -53.2 | 132 | 0 | 0 | 114.1 | L128 H129 S130 S161 L162 K207 N327 | L128-E132 PolarHBondContact O-N 2.9Å; H129-E132 PolarHBondContact O-N 2.8Å; H129-E132 VanDerWaalsContact O-N 3.15Å; S130-E132 VanDerWaalsContact C-N 3.26Å; S130-E132 PolarHBondContact O-N 2.91Å; E132-S161 CarbonylContact O-C 3.57Å; E132-S161 VanDerWaalsContact O-CA 3.3Å; E132-S161 WeakPolarHBondContact O-CA 3.21Å; E132-S161 PolarHBondContact O-OG 3.17Å; E132-L162 HydrophobicContact CB-CB 4.37Å; E132-L162 PolarHBondContact O-N 3.14Å; E132-L162 WeakPolarHBondContact OE2-CD1 3.37Å; E132-K207 WeakPolarHBondContact OE1-CE 3.38Å; E132-K207 IonicContact OE1-NZ 2.75Å; E132-K207 PolarHBondContact OE1-NZ 3.11Å; E132-K207 WeakPolarHBondContact OE2-CE 3.2Å; E132-K207 IonicContact OE2-NZ 3.66Å; E132-N327 HydrophobicContact CB-CB 4.21Å; E132-N327 HydrophobicContact CG-CB 4.42Å; E132-N327 WeakPolarHBondContact CG-ND2 3.25Å |
| 133 | V | 94.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.2 | 175.4 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F63 F67 L128 H129 G131 A159 R160 V328 | F63-V133 HydrophobicContact CD1-CG1 4.2Å; F63-V133 HydrophobicContact CD1-CG2 4.17Å; F63-V133 HydrophobicContact CE1-CB 4.47Å; F63-V133 HydrophobicContact CE1-CG1 3.97Å; F63-V133 HydrophobicContact CE1-CG2 3.57Å; F63-V133 HydrophobicContact CZ-CG1 4.19Å; F63-V133 HydrophobicContact CZ-CG2 4.24Å; F67-V133 HydrophobicContact CE2-CB 4.07Å; F67-V133 HydrophobicContact CE2-CG1 4.16Å; F67-V133 HydrophobicContact CE2-CG2 3.97Å; F67-V133 HydrophobicContact CZ-CB 3.95Å; F67-V133 HydrophobicContact CZ-CG2 3.9Å; L128-V133 CarbonylContact C-O 3.58Å; L128-V133 PolarHBondContact O-N 2.89Å; H129-V133 PolarHBondContact CD2-O 2.88Å; G131-V133 PolarHBondContact O-N 3.43Å; V133-A159 HydrophobicContact CG1-CB 4.32Å; V133-R160 WeakPolarHBondContact CA-O 3.37Å; V133-V328 HydrophobicContact CG2-CB 3.85Å; V133-V328 HydrophobicContact CG2-CG1 4.27Å; V133-V328 WeakPolarHBondContact CG2-O 3.17Å |
| 134 | I | 94.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 141.6 | 172 | 54.1 | 169.4 | 0 | 0 | 0 | 111 | R136 A159 R160 L162 K207 D210 | I134-R136 HydrophobicContact CB-CG 4.19Å; I134-R136 HydrophobicContact CD1-CG 3.7Å; I134-R136 HydrophobicContact CG1-CG 3.76Å; I134-A159 CarbonylContact O-C 3.6Å; I134-A159 WeakPolarHBondContact O-CA 3.38Å; I134-A159 WeakPolarHBondContact O-CB 3.41Å; I134-R160 HydrophobicContact CG1-CB 4.43Å; I134-R160 PolarHBondContact N-O 3.05Å; I134-R160 PolarHBondContact O-N 2.83Å; I134-L162 HydrophobicContact CD1-CD2 3.73Å; I134-L162 HydrophobicContact CG1-CD2 4Å; I134-L162 HydrophobicContact CG1-CG 4.46Å; I134-L162 HydrophobicContact CG2-CD1 4.04Å; I134-L162 HydrophobicContact CG2-CD2 4.28Å; I134-L162 HydrophobicContact CG2-CG 4.25Å; I134-K207 HydrophobicContact CG2-CG 4.37Å; I134-D210 WeakPolarHBondContact CA-OD2 3.22Å; I134-D210 WeakPolarHBondContact CB-OD2 3.02Å |
| 135 | H | 94.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -81.2 | -44.5 | -173.7 | -163.3 | -95 | 0 | 0 | 0 | 112.6 | L128 D137 L138 L153 C154 D155 F156 L158 A159 D210 | L128-H135 HydrophobicContact CD1-CB 4.49Å; H135-D137 PolarHBondContact O-N 2.97Å; H135-L138 HydrophobicContact CB-CD1 4.47Å; H135-L138 HydrophobicContact CB-CD2 3.94Å; H135-L138 HydrophobicContact CB-CG 3.98Å; H135-L138 WeakPolarHBondContact ND1-CD2 3.09Å; H135-L153 WeakPolarHBondContact NE2-CD2 3.28Å; H135-C154 PolarHBondContact CE1-O 2.72Å; H135-C154 VanDerWaalsContact CE1-O 3.28Å; H135-C154 PolarHBondContact NE2-O 2.95Å; H135-D155 PolarHBondContact CE1-O 3.04Å; H135-D155 VanDerWaalsContact CE1-O 3.23Å; H135-D155 PolarHBondContact NE2-O 2.88Å; H135-F156 AromaticContact CD2-CD1 3.61Å; H135-F156 AromaticContact CD2-CE1 3.55Å; H135-F156 AromaticContact NE2-CD1 3.86Å; H135-F156 AromaticContact NE2-CE1 3.98Å; H135-F156 AromaticContact NE2-CG 3.9Å; H135-L158 CarbonylContact O-C 3.52Å; H135-A159 WeakPolarHBondContact O-CA 3.18Å; H135-A159 PolarHBondContact O-N 2.72Å; H135-D210 WeakPolarHBondContact CB-OD1 3.09Å; H135-D210 PolarHBondContact N-OD1 3.2Å; H135-D210 VanDerWaalsContact N-OD1 3.09Å; H135-D210 PolarHBondContact N-OD2 3.35Å | ||
| 136 | R | 92.9 | Very high | 96 | Very high | 45 Ų | 45 | 15.3 Ų | 15.3 | 17% | 0.17 | 8% | 0.082 | C | C | . | . | trans | 64.3 | -4.5 | 175.5 | -43.5 | -167.9 | -57.4 | 146.5 | 6.2 | 117.5 | I134 L158 V209 D210 | I134-R136 HydrophobicContact CB-CG 4.19Å; I134-R136 HydrophobicContact CD1-CG 3.7Å; I134-R136 HydrophobicContact CG1-CG 3.76Å; R136-L158 VanDerWaalsContact CZ-O 3.3Å; R136-L158 PolarHBondContact NE-O 2.8Å; R136-L158 PolarHBondContact NH2-O 3.49Å; R136-V209 HydrophobicContact CB-CG1 4.32Å; R136-V209 HydrophobicContact CG-CG1 4.2Å; R136-D210 PolarHBondContact N-OD1 3.21Å | ||
| 137 | D | 93.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 18.9 Ų | 18.9 | 11% | 0.107 | 11% | 0.106 | C | C | . | . | trans | -137.7 | 50.7 | 174.6 | -163.5 | 7.9 | 0 | 0 | 0 | 111.5 | H135 K139 N142 L158 | H135-D137 PolarHBondContact O-N 2.97Å; D137-K139 IonicContact OD1-NZ 2.65Å; D137-K139 PolarHBondContact OD1-NZ 3.3Å; D137-K139 IonicContact OD2-NZ 2.74Å; D137-K139 PolarHBondContact OD2-NZ 2.8Å; D137-N142 PolarHBondContact O-ND2 3.06Å; D137-L158 HydrophobicContact CB-CB 4.12Å; D137-L158 HydrophobicContact CB-CD1 3.97Å; D137-L158 HydrophobicContact CB-CG 4.4Å | ||
| 138 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -79.2 | 126.9 | 170.5 | -62.2 | 173.9 | 0 | 0 | 0 | 109.5 | I125 H135 L153 Y193 D210 L214 I217 | I125-L138 HydrophobicContact CD1-CD1 3.79Å; I125-L138 HydrophobicContact CD1-CD2 4.17Å; I125-L138 HydrophobicContact CG1-CD1 4.2Å; H135-L138 HydrophobicContact CB-CD1 4.47Å; H135-L138 HydrophobicContact CB-CD2 3.94Å; H135-L138 HydrophobicContact CB-CG 3.98Å; H135-L138 WeakPolarHBondContact ND1-CD2 3.09Å; L138-L153 HydrophobicContact CD2-CD1 3.75Å; L138-L153 HydrophobicContact CD2-CD2 3.79Å; L138-L153 HydrophobicContact CD2-CG 3.98Å; L138-Y193 VanDerWaalsContact O-CB 3.28Å; L138-Y193 WeakPolarHBondContact O-CB 3.44Å; L138-D210 HydrophobicContact CD1-CB 3.66Å; L138-L214 HydrophobicContact CD1-CD2 4.05Å; L138-L214 HydrophobicContact CD1-CG 4.06Å; L138-I217 HydrophobicContact CB-CD1 4.17Å | ||
| 139 | K | 96.5 | Very high | 95.3 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 8% | 0.078 | 15% | 0.149 | C | C | . | . | trans | -158.4 | 156.9 | 179 | 54 | -176.6 | 178.5 | -69.7 | 0 | 108.6 | D137 S141 N142 D155 Y193 | D137-K139 IonicContact OD1-NZ 2.65Å; D137-K139 PolarHBondContact OD1-NZ 3.3Å; D137-K139 IonicContact OD2-NZ 2.74Å; D137-K139 PolarHBondContact OD2-NZ 2.8Å; K139-S141 PolarHBondContact O-N 3.39Å; K139-S141 VanDerWaalsContact O-N 3.08Å; K139-N142 WeakPolarHBondContact CE-OD1 3.38Å; K139-N142 HydrophobicContact CG-CB 4.02Å; K139-N142 VanDerWaalsContact NZ-CG 3.28Å; K139-N142 PolarHBondContact NZ-ND2 3.38Å; K139-N142 PolarHBondContact NZ-OD1 3.46Å; K139-N142 VanDerWaalsContact NZ-OD1 3.15Å; K139-N142 PolarHBondContact O-N 3.18Å; K139-D155 IonicContact NZ-OD2 3.49Å; K139-Y193 HydrophobicContact CB-CD1 4.43Å; K139-Y193 HydrophobicContact CB-CD2 3.52Å; K139-Y193 HydrophobicContact CB-CE1 4.47Å; K139-Y193 HydrophobicContact CB-CE2 3.54Å; K139-Y193 HydrophobicContact CB-CG 3.99Å | ||
| 140 | P | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -57.5 | -28 | -176.3 | -27.3 | 36.7 | 0 | 0 | 0 | 114.5 | L99 H100 I103 N142 V143 Y193 I217 | L99-P140 HydrophobicContact CB-CB 4.06Å; L99-P140 WeakPolarHBondContact CB-O 3.38Å; L99-P140 HydrophobicContact CD2-CB 4.32Å; L99-P140 HydrophobicContact CG-CB 4.04Å; L99-P140 PolarHBondContact N-O 3.02Å; H100-P140 HydrophobicContact CB-CB 3.86Å; H100-P140 PolarHBondContact N-O 3.27Å; I103-P140 HydrophobicContact CD1-CB 4.34Å; I103-P140 HydrophobicContact CD1-CG 4.39Å; P140-N142 VanDerWaalsContact C-N 3.28Å; P140-N142 PolarHBondContact O-N 3.33Å; P140-V143 PolarHBondContact O-N 3.39Å; P140-Y193 VanDerWaalsContact CD-CZ 3.41Å; P140-Y193 WeakPolarHBondContact CD-OH 3.11Å; P140-Y193 HydrophobicContact CG-CE1 4.11Å; P140-I217 HydrophobicContact CG-CG1 4.05Å |
| 141 | S | 94.6 | Very high | 95.4 | Very high | 35 Ų | 35 | 26.8 Ų | 26.8 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -77.4 | -7.6 | 175 | 50 | 0 | 0 | 0 | 0 | 115 | K139 | K139-S141 PolarHBondContact O-N 3.39Å; K139-S141 VanDerWaalsContact O-N 3.08Å |
| 142 | N | 96.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -104.7 | 9.9 | 171.7 | -71.8 | 21.9 | 0 | 0 | 0 | 111.9 | D137 K139 P140 C154 D155 | D137-N142 PolarHBondContact O-ND2 3.06Å; K139-N142 WeakPolarHBondContact CE-OD1 3.38Å; K139-N142 HydrophobicContact CG-CB 4.02Å; K139-N142 VanDerWaalsContact NZ-CG 3.28Å; K139-N142 PolarHBondContact NZ-ND2 3.38Å; K139-N142 PolarHBondContact NZ-OD1 3.46Å; K139-N142 VanDerWaalsContact NZ-OD1 3.15Å; K139-N142 PolarHBondContact O-N 3.18Å; P140-N142 VanDerWaalsContact C-N 3.28Å; P140-N142 PolarHBondContact O-N 3.33Å; N142-C154 PolarHBondContact O-N 3.5Å; N142-C154 VanDerWaalsContact O-N 3.09Å; N142-C154 PolarHBondContact O-SG 2.78Å; N142-D155 WeakPolarHBondContact ND2-CB 3.27Å; N142-D155 PolarHBondContact ND2-OD2 3.09Å |
| 143 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 100.6 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | D98 L99 L121 P140 V151 I217 | D98-V143 CarbonylContact C-O 3.55Å; D98-V143 VanDerWaalsContact CA-O 3.29Å; D98-V143 WeakPolarHBondContact CA-O 3.27Å; L99-V143 HydrophobicContact CB-CB 3.94Å; L99-V143 HydrophobicContact CB-CG1 3.96Å; L99-V143 HydrophobicContact CD2-CB 4.3Å; L99-V143 HydrophobicContact CD2-CG1 4.03Å; L99-V143 PolarHBondContact N-O 2.96Å; L121-V143 HydrophobicContact CD1-CG1 4.46Å; L121-V143 HydrophobicContact CD2-CG1 4.01Å; L121-V143 HydrophobicContact CD2-CG2 3.83Å; P140-V143 PolarHBondContact O-N 3.39Å; V143-V151 HydrophobicContact CG1-CG1 3.88Å; V143-V151 HydrophobicContact CG1-CG2 4.46Å; V143-I217 HydrophobicContact CG2-CD1 4.48Å |
| 144 | L | 97.7 | Very high | 95.7 | Very high | 38 Ų | 38 | 25.9 Ų | 25.9 | 20% | 0.199 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 149.5 | -178.4 | -53.8 | 177.7 | 0 | 0 | 0 | 111 | I74 M95 T97 D98 V151 K152 C154 | I74-L144 HydrophobicContact CD1-CD1 3.91Å; I74-L144 HydrophobicContact CG1-CD1 4.13Å; M95-L144 HydrophobicContact CB-CB 3.82Å; M95-L144 HydrophobicContact CB-CD1 4.36Å; M95-L144 HydrophobicContact CG-CB 3.76Å; M95-L144 HydrophobicContact CG-CD1 4.1Å; T97-L144 WeakPolarHBondContact O-CA 3.43Å; D98-L144 HydrophobicContact CB-CD2 4.12Å; L144-V151 WeakPolarHBondContact O-CA 3.09Å; L144-K152 HydrophobicContact CB-CB 4.42Å; L144-K152 WeakPolarHBondContact CB-O 3.47Å; L144-K152 PolarHBondContact N-O 3.04Å; L144-K152 PolarHBondContact O-N 3.38Å; L144-C154 HydrophobicContact CD1-CB 4.01Å; L144-C154 HydrophobicContact CG-CB 4.34Å |
| 145 | L | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.1 | -176.6 | -69.7 | 171.1 | 0 | 0 | 0 | 111.5 | E96 T97 L99 V102 I117 L150 V151 | E96-L145 PolarHBondContact N-O 2.73Å; E96-L145 VanDerWaalsContact N-O 3.12Å; T97-L145 HydrophobicContact CG2-CB 3.99Å; T97-L145 PolarHBondContact N-O 3.06Å; T97-L145 PolarHBondContact O-N 2.85Å; L99-L145 HydrophobicContact CB-CD1 4.06Å; L99-L145 HydrophobicContact CD1-CD1 4Å; V102-L145 HydrophobicContact CB-CD1 4.27Å; V102-L145 HydrophobicContact CG2-CD1 3.88Å; I117-L145 HydrophobicContact CD1-CD1 4.39Å; I117-L145 HydrophobicContact CD1-CD2 4.37Å; I117-L145 HydrophobicContact CG1-CD2 4.21Å; L145-L150 WeakPolarHBondContact CA-O 3.38Å; L145-V151 HydrophobicContact CD2-CG2 3.7Å |
| 146 | D | 94.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 28.1 Ų | 28.1 | 20% | 0.198 | 16% | 0.158 | C | C | . | . | trans | -115.1 | -175.5 | 165.7 | 58.2 | 21.5 | 0 | 0 | 0 | 110.8 | M95 E96 D148 C149 L150 | M95-D146 HydrophobicContact CE-CB 3.94Å; E96-D146 HydrophobicContact CG-CB 4.37Å; D146-D148 VanDerWaalsContact C-N 3.31Å; D146-D148 PolarHBondContact O-N 3.39Å; D146-D148 PolarHBondContact OD1-N 2.97Å; D146-C149 PolarHBondContact O-N 3.15Å; D146-C149 PolarHBondContact OD1-N 2.86Å; D146-L150 WeakPolarHBondContact OD1-CB 3.45Å; D146-L150 PolarHBondContact OD1-N 3.43Å; D146-L150 VanDerWaalsContact OD2-CB 3.32Å; D146-L150 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 147 | S | 91.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 26.2 Ų | 26.2 | 60% | 0.601 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.4 | -179.4 | 38.2 | 0 | 0 | 0 | 0 | 114.2 | E96 C149 | E96-S147 VanDerWaalsContact OE1-CB 3.24Å; E96-S147 WeakPolarHBondContact OE1-CB 2.98Å; E96-S147 PolarHBondContact OE1-N 3.02Å; E96-S147 PolarHBondContact OE1-OG 2.65Å; S147-C149 PolarHBondContact O-N 3.47Å |
| 148 | D | 93.2 | Very high | 95 | Very high | 137 Ų | 137 | 26.5 Ų | 26.5 | 73% | 0.733 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5 | 174.9 | -69.9 | -44.7 | 0 | 0 | 0 | 113.3 | D146 L150 | D146-D148 VanDerWaalsContact C-N 3.31Å; D146-D148 PolarHBondContact O-N 3.39Å; D146-D148 PolarHBondContact OD1-N 2.97Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 3.28Å |
| 149 | C | 94.2 | Very high | 94.8 | Very high | 30 Ų | 30 | 26.5 Ų | 26.5 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | trans | 59.7 | 29.3 | -175.7 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | Y116 Q120 D146 S147 V151 | Y116-C149 HydrophobicContact CD1-CB 4.25Å; Q120-C149 PolarHBondContact NE2-O 3.09Å; D146-C149 PolarHBondContact O-N 3.15Å; D146-C149 PolarHBondContact OD1-N 2.86Å; S147-C149 PolarHBondContact O-N 3.47Å; C149-V151 PolarHBondContact O-N 3.47Å | ||
| 150 | L | 96.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 26.5 Ų | 26.5 | 27% | 0.267 | 15% | 0.153 | S | C | . | . | trans | -68.9 | 122.6 | 168.2 | -175.2 | 71.5 | 0 | 0 | 0 | 109.1 | M95 L145 D146 D148 | M95-L150 WeakPolarHBondContact CE-O 3.46Å; L145-L150 WeakPolarHBondContact CA-O 3.38Å; D146-L150 WeakPolarHBondContact OD1-CB 3.45Å; D146-L150 PolarHBondContact OD1-N 3.43Å; D146-L150 VanDerWaalsContact OD2-CB 3.32Å; D146-L150 WeakPolarHBondContact OD2-CB 3.4Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 3.28Å | ||
| 151 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.5 | 177.8 | 166.9 | 0 | 0 | 0 | 0 | 110.2 | N72 I117 Q120 L121 V143 L144 L145 C149 | N72-V151 WeakPolarHBondContact CA-O 3.18Å; N72-V151 VanDerWaalsContact CB-O 3.3Å; N72-V151 WeakPolarHBondContact CB-O 3.49Å; N72-V151 PolarHBondContact ND2-O 3.07Å; I117-V151 HydrophobicContact CB-CG2 4.11Å; I117-V151 HydrophobicContact CG1-CG2 3.99Å; I117-V151 HydrophobicContact CG2-CG2 3.92Å; Q120-V151 HydrophobicContact CB-CB 3.75Å; Q120-V151 HydrophobicContact CB-CG1 4.4Å; Q120-V151 HydrophobicContact CB-CG2 4.06Å; L121-V151 HydrophobicContact CD2-CG1 3.77Å; L121-V151 HydrophobicContact CG-CG1 4.08Å; V143-V151 HydrophobicContact CG1-CG1 3.88Å; V143-V151 HydrophobicContact CG1-CG2 4.46Å; L144-V151 WeakPolarHBondContact O-CA 3.09Å; L145-V151 HydrophobicContact CD2-CG2 3.7Å; C149-V151 PolarHBondContact O-N 3.47Å |
| 152 | K | 98.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.2 | 164.7 | -62.4 | -171.1 | -166.9 | -101.7 | 0 | 112.8 | P71 I74 E93 M95 L144 | P71-K152 PolarHBondContact O-NZ 3.49Å; I74-K152 HydrophobicContact CB-CB 4.39Å; I74-K152 HydrophobicContact CD1-CB 4.07Å; I74-K152 HydrophobicContact CD1-CD 3.82Å; E93-K152 HydrophobicContact CG-CD 4.41Å; E93-K152 WeakPolarHBondContact OE1-CE 3.36Å; E93-K152 IonicContact OE1-NZ 2.65Å; E93-K152 PolarHBondContact OE1-NZ 3.17Å; E93-K152 WeakPolarHBondContact OE2-CD 3.23Å; E93-K152 WeakPolarHBondContact OE2-CE 3.17Å; E93-K152 IonicContact OE2-NZ 2.92Å; E93-K152 PolarHBondContact OE2-NZ 2.84Å; M95-K152 HydrophobicContact CE-CB 4.32Å; M95-K152 HydrophobicContact CE-CD 4.08Å; M95-K152 HydrophobicContact CE-CG 3.94Å; M95-K152 HydrophobicContact CG-CB 4.44Å; M95-K152 HydrophobicContact CG-CD 4.23Å; M95-K152 HydrophobicContact SD-CB 4.42Å; M95-K152 HydrophobicContact SD-CD 3.48Å; M95-K152 WeakPolarHBondContact SD-CD 3.41Å; M95-K152 VanDerWaalsContact SD-CE 3.57Å; M95-K152 HydrophobicContact SD-CG 4Å; L144-K152 HydrophobicContact CB-CB 4.42Å; L144-K152 WeakPolarHBondContact CB-O 3.47Å; L144-K152 PolarHBondContact N-O 3.04Å; L144-K152 PolarHBondContact O-N 3.38Å |
| 153 | L | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 133.3 | -176.6 | -155.9 | 155.3 | 0 | 0 | 0 | 110.7 | N72 I74 L121 A124 I125 H135 L138 F156 | N72-L153 WeakPolarHBondContact O-CB 3.14Å; N72-L153 PolarHBondContact O-N 3.45Å; I74-L153 PolarHBondContact N-O 2.89Å; L121-L153 HydrophobicContact CD2-CD1 4.16Å; A124-L153 HydrophobicContact CB-CD1 4.01Å; I125-L153 HydrophobicContact CD1-CD1 3.6Å; I125-L153 HydrophobicContact CG1-CD1 4.31Å; H135-L153 WeakPolarHBondContact NE2-CD2 3.28Å; L138-L153 HydrophobicContact CD2-CD1 3.75Å; L138-L153 HydrophobicContact CD2-CD2 3.79Å; L138-L153 HydrophobicContact CD2-CG 3.98Å; L153-F156 HydrophobicContact CD2-CE2 4.34Å; L153-F156 HydrophobicContact CD2-CZ 3.96Å |
| 154 | C | 95.5 | Very high | 91 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | trans | -137.7 | 175.1 | -173.5 | 76.8 | 0 | 0 | 0 | 0 | 114.3 | I74 H135 N142 L144 | I74-C154 HydrophobicContact CB-CB 4.22Å; I74-C154 HydrophobicContact CG2-CB 3.65Å; H135-C154 PolarHBondContact CE1-O 2.72Å; H135-C154 VanDerWaalsContact CE1-O 3.28Å; H135-C154 PolarHBondContact NE2-O 2.95Å; N142-C154 PolarHBondContact O-N 3.5Å; N142-C154 VanDerWaalsContact O-N 3.09Å; N142-C154 PolarHBondContact O-SG 2.78Å; L144-C154 HydrophobicContact CD1-CB 4.01Å; L144-C154 HydrophobicContact CG-CB 4.34Å | ||
| 155 | D | 92 | Very high | 89.2 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | trans | 64.7 | 66.2 | 178.5 | 179.9 | 30.8 | 0 | 0 | 0 | 115.1 | H135 K139 N142 G157 | H135-D155 PolarHBondContact CE1-O 3.04Å; H135-D155 VanDerWaalsContact CE1-O 3.23Å; H135-D155 PolarHBondContact NE2-O 2.88Å; K139-D155 IonicContact NZ-OD2 3.49Å; N142-D155 WeakPolarHBondContact ND2-CB 3.27Å; N142-D155 PolarHBondContact ND2-OD2 3.09Å; D155-G157 PolarHBondContact O-N 2.88Å; D155-G157 VanDerWaalsContact O-N 3.17Å | ||
| 156 | F | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -75.9 | 10.1 | 176.5 | -69.9 | -95.6 | 0 | 0 | 0 | 114.1 | F63 L64 I73 L128 H135 L153 L158 A159 | F63-F156 HydrophobicContact CB-CB 4.03Å; F63-F156 HydrophobicContact CB-CD1 4.09Å; F63-F156 HydrophobicContact CB-CG 4.27Å; L64-F156 HydrophobicContact CD2-CD2 3.56Å; L64-F156 HydrophobicContact CD2-CE2 3.86Å; L64-F156 HydrophobicContact CG-CD2 3.93Å; I73-F156 HydrophobicContact CG2-CE2 3.82Å; I73-F156 HydrophobicContact CG2-CZ 3.72Å; L128-F156 HydrophobicContact CD1-CE1 3.74Å; L128-F156 HydrophobicContact CD1-CZ 4.23Å; L128-F156 HydrophobicContact CD2-CE1 3.68Å; L128-F156 HydrophobicContact CD2-CZ 4.28Å; L128-F156 HydrophobicContact CG-CE1 4.38Å; H135-F156 AromaticContact CD2-CD1 3.61Å; H135-F156 AromaticContact CD2-CE1 3.55Å; H135-F156 AromaticContact NE2-CD1 3.86Å; H135-F156 AromaticContact NE2-CE1 3.98Å; H135-F156 AromaticContact NE2-CG 3.9Å; L153-F156 HydrophobicContact CD2-CE2 4.34Å; L153-F156 HydrophobicContact CD2-CZ 3.96Å; F156-L158 PolarHBondContact O-N 3.24Å; F156-A159 HydrophobicContact CB-CB 4.32Å; F156-A159 HydrophobicContact CD1-CB 4.18Å; F156-A159 WeakPolarHBondContact O-CB 3.27Å; F156-A159 PolarHBondContact O-N 2.94Å; F156-A159 VanDerWaalsContact O-N 3.14Å |
| 157 | G | 87.3 | Confident | 84.7 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -60.7 | -28.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R59 D155 | R59-G157 PolarHBondContact NE-O 3.23Å; R59-G157 VanDerWaalsContact NE-O 3.08Å; R59-G157 PolarHBondContact NH2-O 3.04Å; D155-G157 PolarHBondContact O-N 2.88Å; D155-G157 VanDerWaalsContact O-N 3.17Å |
| 158 | L | 88.7 | Confident | 82.6 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -101.5 | -3.8 | 178.3 | -59 | -168.3 | 0 | 0 | 0 | 114.7 | H135 R136 D137 F156 R160 Y187 | H135-L158 CarbonylContact O-C 3.52Å; R136-L158 VanDerWaalsContact CZ-O 3.3Å; R136-L158 PolarHBondContact NE-O 2.8Å; R136-L158 PolarHBondContact NH2-O 3.49Å; D137-L158 HydrophobicContact CB-CB 4.12Å; D137-L158 HydrophobicContact CB-CD1 3.97Å; D137-L158 HydrophobicContact CB-CG 4.4Å; F156-L158 PolarHBondContact O-N 3.24Å; L158-R160 PolarHBondContact O-NH1 2.93Å; L158-Y187 HydrophobicContact CD1-CD1 4.04Å; L158-Y187 HydrophobicContact CD1-CE1 4.29Å; L158-Y187 HydrophobicContact CD2-CD1 4.11Å; L158-Y187 HydrophobicContact CD2-CE1 3.57Å |
| 159 | A | 92 | Very high | 80.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -59.6 | 158.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R59 F63 V133 I134 H135 F156 | R59-A159 WeakPolarHBondContact CD-O 3.33Å; F63-A159 HydrophobicContact CD2-CB 3.76Å; F63-A159 HydrophobicContact CE2-CB 3.87Å; V133-A159 HydrophobicContact CG1-CB 4.32Å; I134-A159 CarbonylContact O-C 3.6Å; I134-A159 WeakPolarHBondContact O-CA 3.38Å; I134-A159 WeakPolarHBondContact O-CB 3.41Å; H135-A159 WeakPolarHBondContact O-CA 3.18Å; H135-A159 PolarHBondContact O-N 2.72Å; F156-A159 HydrophobicContact CB-CB 4.32Å; F156-A159 HydrophobicContact CD1-CB 4.18Å; F156-A159 WeakPolarHBondContact O-CB 3.27Å; F156-A159 PolarHBondContact O-N 2.94Å; F156-A159 VanDerWaalsContact O-N 3.14Å | ||
| 160 | R | 89.8 | Confident | 77.6 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 144.6 | 178.3 | -74 | -59.6 | -175 | -76.5 | 11.7 | 111.7 | R59 V133 I134 L158 D334 | R59-R160 VanDerWaalsContact NH1-NH2 3.12Å; V133-R160 WeakPolarHBondContact CA-O 3.37Å; I134-R160 HydrophobicContact CG1-CB 4.43Å; I134-R160 PolarHBondContact N-O 3.05Å; I134-R160 PolarHBondContact O-N 2.83Å; L158-R160 PolarHBondContact O-NH1 2.93Å; R160-D334 WeakPolarHBondContact CD-OD2 3.5Å; R160-D334 IonicContact CZ-OD1 3.12Å; R160-D334 IonicContact CZ-OD2 2.82Å; R160-D334 IonicContact NE-OD1 2.63Å; R160-D334 IonicContact NE-OD2 2.79Å; R160-D334 PolarHBondContact NE-OD2 3.13Å; R160-D334 VanDerWaalsContact NE-OD2 3.09Å; R160-D334 IonicContact NH2-OD1 3.61Å |
| 161 | S | 89.4 | Confident | 75 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 149 | 160.3 | -159.6 | 0 | 0 | 0 | 0 | 109.9 | E132 R165 V328 | E132-S161 CarbonylContact O-C 3.57Å; E132-S161 VanDerWaalsContact O-CA 3.3Å; E132-S161 WeakPolarHBondContact O-CA 3.21Å; E132-S161 PolarHBondContact O-OG 3.17Å; S161-R165 PolarHBondContact O-NH1 2.87Å; S161-V328 WeakPolarHBondContact CB-O 3.38Å; S161-V328 PolarHBondContact OG-O 3.09Å |
| 162 | L | 87 | Confident | 72.4 | Confident | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -86 | -29.4 | 169.3 | -65.1 | 178.2 | 0 | 0 | 0 | 111.2 | E132 I134 Y205 K207 | E132-L162 HydrophobicContact CB-CB 4.37Å; E132-L162 PolarHBondContact O-N 3.14Å; E132-L162 WeakPolarHBondContact OE2-CD1 3.37Å; I134-L162 HydrophobicContact CD1-CD2 3.73Å; I134-L162 HydrophobicContact CG1-CD2 4Å; I134-L162 HydrophobicContact CG1-CG 4.46Å; I134-L162 HydrophobicContact CG2-CD1 4.04Å; I134-L162 HydrophobicContact CG2-CD2 4.28Å; I134-L162 HydrophobicContact CG2-CG 4.25Å; L162-Y205 WeakPolarHBondContact CD2-O 3.44Å; L162-K207 HydrophobicContact CD1-CG 3.85Å |
| 163 | K | 76.1 | Confident | 69.6 | Low | 121 Ų | 121 | 62.2 Ų | 62.2 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 137 | 179.7 | -165 | 171 | -163.3 | 163.7 | 0 | 111.2 | N327 V329 | K163-N327 HydrophobicContact CD-CB 3.75Å; K163-N327 PolarHBondContact NZ-OD1 3.14Å; K163-V329 HydrophobicContact CB-CG2 4.25Å; K163-V329 HydrophobicContact CD-CG2 4.3Å |
| 164 | G | 61 | Low | 66.8 | Low | 37 Ų | 37 | 70.8 Ų | 70.8 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -12.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N166 K167 | G164-N166 VanDerWaalsContact C-N 3.3Å; G164-N166 PolarHBondContact O-N 2.88Å; G164-K167 WeakPolarHBondContact O-CB 3.21Å; G164-K167 PolarHBondContact O-N 3.3Å; G164-K167 VanDerWaalsContact O-N 3.17Å |
| 165 | R | 59.6 | Low | 64.3 | Low | 53 Ų | 53 | 75.3 Ų | 75.3 | 20% | 0.2 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -55.3 | -42.7 | 177.6 | -85.5 | -171.6 | 162.3 | 75.1 | 7.1 | 113.3 | S161 K167 Y168 | S161-R165 PolarHBondContact O-NH1 2.87Å; R165-K167 PolarHBondContact O-N 2.93Å; R165-K167 VanDerWaalsContact O-N 3.09Å; R165-Y168 PolarHBondContact O-N 3.17Å |
| 166 | N | 49.8 | Very low | 61.7 | Low | 117 Ų | 117 | 75.3 Ų | 75.3 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -64.4 | -13.5 | -177.1 | -54 | 51 | 0 | 0 | 0 | 113.7 | G164 Y168 E169 | G164-N166 VanDerWaalsContact C-N 3.3Å; G164-N166 PolarHBondContact O-N 2.88Å; N166-Y168 PolarHBondContact O-N 2.95Å; N166-E169 PolarHBondContact ND2-OE2 2.81Å; N166-E169 PolarHBondContact O-N 2.82Å |
| 167 | K | 48 | Very low | 59.1 | Low | 184 Ų | 184 | 81.1 Ų | 81.1 | 80% | 0.8 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -65.9 | -7.1 | 177 | -73.2 | -159.4 | 169.7 | -162.6 | 0 | 114.5 | G164 R165 | G164-K167 WeakPolarHBondContact O-CB 3.21Å; G164-K167 PolarHBondContact O-N 3.3Å; G164-K167 VanDerWaalsContact O-N 3.17Å; R165-K167 PolarHBondContact O-N 2.93Å; R165-K167 VanDerWaalsContact O-N 3.09Å |
| 168 | Y | 46.4 | Very low | 56.6 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 31% | 0.306 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -121.6 | 10.6 | 179.4 | -58.7 | -74.5 | 0 | 0 | 0 | 113.5 | R165 N166 N170 L180 | R165-Y168 PolarHBondContact O-N 3.17Å; N166-Y168 PolarHBondContact O-N 2.95Å; Y168-N170 VanDerWaalsContact C-N 3.27Å; Y168-N170 PolarHBondContact O-N 2.72Å; Y168-N170 PolarHBondContact O-ND2 2.84Å; Y168-L180 HydrophobicContact CD2-CD2 4.29Å; Y168-L180 HydrophobicContact CG-CD2 4.38Å |
| 169 | E | 42.8 | Very low | 54.2 | Low | 119 Ų | 119 | 94 Ų | 94 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -70.3 | 88.7 | 164.2 | -70.1 | -174.5 | 128.3 | 0 | 0 | 108.1 | N166 | N166-E169 PolarHBondContact ND2-OE2 2.81Å; N166-E169 PolarHBondContact O-N 2.82Å |
| 170 | N | 40.6 | Very low | 51.6 | Low | 80 Ų | 80 | 96.4 Ų | 96.4 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | trans | -66 | 134.6 | -171.6 | -89.6 | -83.9 | 0 | 0 | 0 | 112.3 | Y168 N172 G173 N176 | Y168-N170 VanDerWaalsContact C-N 3.27Å; Y168-N170 PolarHBondContact O-N 2.72Å; Y168-N170 PolarHBondContact O-ND2 2.84Å; N170-N172 PolarHBondContact O-N 3.34Å; N170-G173 PolarHBondContact O-N 2.88Å; N170-N176 VanDerWaalsContact ND2-CG 3.27Å; N170-N176 PolarHBondContact ND2-ND2 2.87Å; N170-N176 PolarHBondContact ND2-OD1 3.08Å | ||
| 171 | V | 42.5 | Very low | 49.5 | Very low | 140 Ų | 140 | 98.3 Ų | 98.3 | 85% | 0.848 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -24.5 | -169.4 | -177.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 172 | N | 42.3 | Very low | 47.2 | Very low | 144 Ų | 144 | 100.9 Ų | 100.9 | 77% | 0.77 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 23.7 | -171 | -58.9 | -0.8 | 0 | 0 | 0 | 113.8 | N170 K174 | N170-N172 PolarHBondContact O-N 3.34Å; N172-K174 PolarHBondContact O-N 3.02Å |
| 173 | G | 40.1 | Very low | 44.6 | Very low | 80 Ų | 80 | 103 Ų | 103 | 83% | 0.825 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 65 | 4.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N170 | N170-G173 PolarHBondContact O-N 2.88Š|
| 174 | K | 39.5 | Very low | 43 | Very low | 181 Ų | 181 | 101.4 Ų | 101.4 | 79% | 0.787 | 56% | 0.557 | S | S | * | * | trans | -113.8 | 99 | -171.1 | -162.9 | 172.3 | -171.1 | 173.4 | 0 | 110.2 | N172 N176 | N172-K174 PolarHBondContact O-N 3.02Å; K174-N176 PolarHBondContact O-N 3.49Å | ||
| 175 | L | 42.7 | Very low | 42 | Very low | 113 Ų | 113 | 104.3 Ų | 104.3 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | trans | -53.3 | 124.1 | -178.5 | -68.9 | 170.3 | 0 | 0 | 0 | 111.9 | C177 | L175-C177 PolarHBondContact O-N 2.88Š| ||
| 176 | N | 36.4 | Very low | 41.2 | Very low | 47 Ų | 47 | 107.1 Ų | 107.1 | 25% | 0.251 | 58% | 0.583 | S | S | . | * | trans | -76.6 | 69.4 | 172.2 | 58.6 | -39.3 | 0 | 0 | 0 | 110.8 | N170 K174 K178 T179 | N170-N176 VanDerWaalsContact ND2-CG 3.27Å; N170-N176 PolarHBondContact ND2-ND2 2.87Å; N170-N176 PolarHBondContact ND2-OD1 3.08Å; K174-N176 PolarHBondContact O-N 3.49Å; N176-K178 PolarHBondContact O-N 3.21Å; N176-T179 PolarHBondContact O-N 3.32Å | ||
| 177 | C | 38.2 | Very low | 41.2 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 82% | 0.824 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | -14.6 | -178.7 | -174.6 | 0 | 0 | 0 | 0 | 115.7 | L175 | L175-C177 PolarHBondContact O-N 2.88Š|
| 178 | K | 36.4 | Very low | 41.2 | Very low | 211 Ų | 211 | 98.6 Ų | 98.6 | 92% | 0.917 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -6.5 | 178.1 | -110.4 | -177.9 | 178.3 | -179 | 0 | 115.7 | N176 | N176-K178 PolarHBondContact O-N 3.21Š|
| 179 | T | 37.3 | Very low | 41.8 | Very low | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | -15.9 | -166.8 | -40.7 | 0 | 0 | 0 | 0 | 114.6 | N176 | N176-T179 PolarHBondContact O-N 3.32Š|
| 180 | L | 38 | Very low | 43.3 | Very low | 51 Ų | 51 | 92.6 Ų | 92.6 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -100.3 | 113.4 | -173.3 | -98.3 | 165.8 | 0 | 0 | 0 | 112.7 | Y168 | Y168-L180 HydrophobicContact CD2-CD2 4.29Å; Y168-L180 HydrophobicContact CG-CD2 4.38Å |
| 181 | L | 46.5 | Very low | 45.7 | Very low | 58 Ų | 58 | 91.1 Ų | 91.1 | 30% | 0.304 | 52% | 0.517 | S | S | . | . | S | Bend | trans | 61.4 | 143.6 | -167.7 | -80.6 | 66.9 | 0 | 0 | 0 | 113.7 | A183 Y205 | L181-A183 PolarHBondContact O-N 2.73Å; L181-Y205 HydrophobicContact CD2-CE2 3.83Å |
| 182 | P | 39.1 | Very low | 48.2 | Very low | 63 Ų | 63 | 87 Ų | 87 | 41% | 0.409 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -55.1 | 129.3 | 154.2 | -16.2 | 29.8 | 0 | 0 | 0 | 107.4 | ||
| 183 | A | 34.3 | Very low | 50.8 | Low | 71 Ų | 71 | 80.7 Ų | 80.7 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | trans | -48.5 | 153.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L181 T185 | L181-A183 PolarHBondContact O-N 2.73Å; A183-T185 PolarHBondContact O-N 3.33Å; A183-T185 PolarHBondContact O-OG1 2.86Å | ||
| 184 | L | 40.9 | Very low | 53.4 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 46% | 0.461 | 42% | 0.42 | S | S | . | . | trans | -69.5 | 57.8 | 166.3 | -70 | 162.7 | 0 | 0 | 0 | 110.3 | E186 A201 | L184-E186 PolarHBondContact O-N 2.73Å; L184-A201 HydrophobicContact CD1-CB 3.66Å | ||
| 185 | T | 41.2 | Very low | 56 | Low | 99 Ų | 99 | 70.3 Ų | 70.3 | 61% | 0.607 | 38% | 0.383 | S | S | * | . | trans | -44.9 | 133.8 | 151 | 47.7 | 0 | 0 | 0 | 0 | 106.9 | A183 Y187 | A183-T185 PolarHBondContact O-N 3.33Å; A183-T185 PolarHBondContact O-OG1 2.86Å; T185-Y187 VanDerWaalsContact C-N 3.32Å; T185-Y187 VanDerWaalsContact O-CD2 3.23Å; T185-Y187 WeakPolarHBondContact O-CD2 3.48Å; T185-Y187 PolarHBondContact O-N 2.67Å | ||
| 186 | E | 42.4 | Very low | 58.3 | Low | 111 Ų | 111 | 65.1 Ų | 65.1 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | trans | -65.5 | 96.2 | -170.8 | -172.9 | 169.6 | -175.3 | 0 | 0 | 109.5 | L184 V188 R191 | L184-E186 PolarHBondContact O-N 2.73Å; E186-V188 WeakPolarHBondContact O-CG2 3.23Å; E186-V188 PolarHBondContact O-N 2.82Å; E186-R191 IonicContact OE1-CZ 2.69Å; E186-R191 IonicContact OE1-NE 3.41Å; E186-R191 IonicContact OE1-NH2 3.51Å; E186-R191 PolarHBondContact OE1-NH2 3.31Å | ||
| 187 | Y | 49.3 | Very low | 60.9 | Low | 49 Ų | 49 | 62.9 Ų | 62.9 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | trans | -57.1 | 115.2 | 179.8 | -87.8 | -106.1 | 0 | 0 | 0 | 107 | L158 T185 A189 R194 | L158-Y187 HydrophobicContact CD1-CD1 4.04Å; L158-Y187 HydrophobicContact CD1-CE1 4.29Å; L158-Y187 HydrophobicContact CD2-CD1 4.11Å; L158-Y187 HydrophobicContact CD2-CE1 3.57Å; T185-Y187 VanDerWaalsContact C-N 3.32Å; T185-Y187 VanDerWaalsContact O-CD2 3.23Å; T185-Y187 WeakPolarHBondContact O-CD2 3.48Å; T185-Y187 PolarHBondContact O-N 2.67Å; Y187-A189 PolarHBondContact O-N 3.05Å; Y187-R194 PolarHBondContact O-NH2 3.01Å | ||
| 188 | V | 49.1 | Very low | 63.3 | Low | 74 Ų | 74 | 58.1 Ų | 58.1 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | trans | -81.7 | 73 | -178.8 | -166.6 | 0 | 0 | 0 | 0 | 109.1 | E186 A845 | E186-V188 WeakPolarHBondContact O-CG2 3.23Å; E186-V188 PolarHBondContact O-N 2.82Å; V188-A845 HydrophobicContact CB-CB 3.64Å; V188-A845 HydrophobicContact CG1-CB 3.57Å; V188-A845 HydrophobicContact CG2-CB 4.37Å | ||
| 189 | A | 57.5 | Low | 65.8 | Low | 35 Ų | 35 | 48.9 Ų | 48.9 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -141.7 | 149 | 177.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y187 R191 R194 | Y187-A189 PolarHBondContact O-N 3.05Å; A189-R191 PolarHBondContact O-N 2.99Å; A189-R191 VanDerWaalsContact O-N 3.09Å; A189-R194 PolarHBondContact O-NH2 3.29Å |
| 190 | T | 74.2 | Confident | 68.1 | Low | 35 Ų | 35 | 44.7 Ų | 44.7 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | trans | -55.5 | 113.3 | -168.1 | -49.2 | 0 | 0 | 0 | 0 | 112.8 | W192 Y193 | T190-W192 HydrophobicContact CG2-CB 4.03Å; T190-W192 HydrophobicContact CG2-CD2 3.29Å; T190-W192 HydrophobicContact CG2-CE3 3.31Å; T190-W192 HydrophobicContact CG2-CG 3.6Å; T190-W192 HydrophobicContact CG2-CH2 4.41Å; T190-W192 HydrophobicContact CG2-CZ2 4.42Å; T190-W192 HydrophobicContact CG2-CZ3 3.89Å; T190-W192 PolarHBondContact O-N 2.9Å; T190-Y193 HydrophobicContact CG2-CD2 4.26Å; T190-Y193 HydrophobicContact CG2-CE2 3.69Å | ||
| 191 | R | 91.1 | Very high | 70 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -73.4 | -9.4 | -174.8 | 67.9 | 175 | 73.5 | 80.5 | -7.9 | 114.8 | E186 A189 Y193 R194 G230 T231 S232 Q236 | E186-R191 IonicContact OE1-CZ 2.69Å; E186-R191 IonicContact OE1-NE 3.41Å; E186-R191 IonicContact OE1-NH2 3.51Å; E186-R191 PolarHBondContact OE1-NH2 3.31Å; A189-R191 PolarHBondContact O-N 2.99Å; A189-R191 VanDerWaalsContact O-N 3.09Å; R191-Y193 VanDerWaalsContact C-N 3.26Å; R191-Y193 PolarHBondContact O-N 3.49Å; R191-R194 WeakPolarHBondContact O-CB 3.13Å; R191-R194 PolarHBondContact O-N 3.21Å; R191-R194 VanDerWaalsContact O-N 3.13Å; R191-G230 PolarHBondContact NH1-O 3.31Å; R191-T231 PolarHBondContact NH1-O 2.86Å; R191-S232 WeakPolarHBondContact CD-O 3.38Å; R191-Q236 HydrophobicContact CG-CB 4.35Å; R191-Q236 HydrophobicContact CG-CG 4.29Å |
| 192 | W | 95.8 | Very high | 71.5 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 20% | 0.197 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -62.4 | -27.1 | -171.7 | -51.8 | -21 | 0 | 0 | 0 | 114.5 | T190 P226 F228 P229 G230 Q236 | T190-W192 HydrophobicContact CG2-CB 4.03Å; T190-W192 HydrophobicContact CG2-CD2 3.29Å; T190-W192 HydrophobicContact CG2-CE3 3.31Å; T190-W192 HydrophobicContact CG2-CG 3.6Å; T190-W192 HydrophobicContact CG2-CH2 4.41Å; T190-W192 HydrophobicContact CG2-CZ2 4.42Å; T190-W192 HydrophobicContact CG2-CZ3 3.89Å; T190-W192 PolarHBondContact O-N 2.9Å; W192-P226 HydrophobicContact CD2-CB 4.22Å; W192-P226 HydrophobicContact CE3-CB 3.56Å; W192-P226 HydrophobicContact CE3-CG 3.53Å; W192-P226 HydrophobicContact CZ3-CB 4.1Å; W192-P226 HydrophobicContact CZ3-CG 3.54Å; W192-F228 WeakPolarHBondContact CA-O 3.46Å; W192-F228 WeakPolarHBondContact CB-O 3.17Å; W192-P229 HydrophobicContact CD2-CB 4.41Å; W192-G230 PolarHBondContact NE1-O 2.9Å; W192-Q236 PolarHBondContact O-NE2 3.5Å |
| 193 | Y | 96.6 | Very high | 73 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -99.3 | 0.7 | -179 | -42.4 | -82.9 | 0 | 0 | 0 | 113.3 | L138 K139 P140 T190 R191 S213 C216 I217 E220 | L138-Y193 VanDerWaalsContact O-CB 3.28Å; L138-Y193 WeakPolarHBondContact O-CB 3.44Å; K139-Y193 HydrophobicContact CB-CD1 4.43Å; K139-Y193 HydrophobicContact CB-CD2 3.52Å; K139-Y193 HydrophobicContact CB-CE1 4.47Å; K139-Y193 HydrophobicContact CB-CE2 3.54Å; K139-Y193 HydrophobicContact CB-CG 3.99Å; P140-Y193 VanDerWaalsContact CD-CZ 3.41Å; P140-Y193 WeakPolarHBondContact CD-OH 3.11Å; P140-Y193 HydrophobicContact CG-CE1 4.11Å; T190-Y193 HydrophobicContact CG2-CD2 4.26Å; T190-Y193 HydrophobicContact CG2-CE2 3.69Å; R191-Y193 VanDerWaalsContact C-N 3.26Å; R191-Y193 PolarHBondContact O-N 3.49Å; Y193-S213 WeakPolarHBondContact O-CB 3.23Å; Y193-S213 PolarHBondContact O-OG 3.32Å; Y193-C216 HydrophobicContact CD1-CB 3.76Å; Y193-I217 HydrophobicContact CD1-CG1 4.36Å; Y193-E220 VanDerWaalsContact CE1-OE2 3.29Å; Y193-E220 WeakPolarHBondContact CE1-OE2 3.21Å; Y193-E220 PolarHBondContact OH-OE2 2.87Å |
| 194 | R | 94.3 | Very high | 74.9 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | trans | -76.5 | 133.1 | -177.7 | -65.6 | -179.5 | -174.4 | 168 | 5.5 | 110.9 | Y187 A189 R191 I198 L199 W212 | Y187-R194 PolarHBondContact O-NH2 3.01Å; A189-R194 PolarHBondContact O-NH2 3.29Å; R191-R194 WeakPolarHBondContact O-CB 3.13Å; R191-R194 PolarHBondContact O-N 3.21Å; R191-R194 VanDerWaalsContact O-N 3.13Å; R194-I198 HydrophobicContact CB-CG2 4.45Å; R194-L199 HydrophobicContact CB-CD1 4.32Å; R194-L199 HydrophobicContact CB-CD2 3.9Å; R194-L199 HydrophobicContact CB-CG 3.91Å; R194-W212 PolarHBondContact O-NE1 3.36Å | ||
| 195 | A | 94.1 | Very high | 77 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -66 | 149.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E197 I198 L199 W212 | A195-E197 VanDerWaalsContact CB-CD 3.43Å; A195-E197 VanDerWaalsContact CB-OE1 3.22Å; A195-E197 WeakPolarHBondContact CB-OE1 3.2Å; A195-E197 VanDerWaalsContact CB-OE2 3.3Å; A195-E197 WeakPolarHBondContact CB-OE2 3.39Å; A195-E197 PolarHBondContact O-N 3.27Å; A195-I198 WeakPolarHBondContact O-CB 3.48Å; A195-I198 PolarHBondContact O-N 2.71Å; A195-L199 PolarHBondContact O-N 3.1Å; A195-L199 VanDerWaalsContact O-N 3.14Å; A195-W212 HydrophobicContact CB-CB 3.8Å; A195-W212 HydrophobicContact CB-CD2 4.37Å; A195-W212 HydrophobicContact CB-CG 3.7Å | ||
| 196 | P | 92.2 | Very high | 79.4 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.2 | -35.9 | -177 | 21.6 | -33 | 0 | 0 | 0 | 112.9 | I198 L199 L200 W212 I255 F295 | P196-I198 VanDerWaalsContact C-N 3.29Å; P196-I198 PolarHBondContact O-N 3.25Å; P196-L199 PolarHBondContact O-N 3Å; P196-L200 WeakPolarHBondContact O-CB 3.48Å; P196-L200 WeakPolarHBondContact O-CG 3.45Å; P196-L200 PolarHBondContact O-N 2.85Å; P196-W212 HydrophobicContact CG-CE3 4.44Å; P196-W212 HydrophobicContact CG-CZ3 4.29Å; P196-I255 HydrophobicContact CB-CD1 4.27Å; P196-F295 HydrophobicContact CB-CD2 3.95Å; P196-F295 HydrophobicContact CB-CE2 3.81Å; P196-F295 HydrophobicContact CG-CD2 4.03Å; P196-F295 HydrophobicContact CG-CE2 4.37Å |
| 197 | E | 90.1 | Very high | 81.9 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -25.1 | 176.6 | 71.6 | -80.5 | -171.1 | 0 | 0 | 113.6 | A195 A201 C202 V209 I255 P297 R300 | A195-E197 VanDerWaalsContact CB-CD 3.43Å; A195-E197 VanDerWaalsContact CB-OE1 3.22Å; A195-E197 WeakPolarHBondContact CB-OE1 3.2Å; A195-E197 VanDerWaalsContact CB-OE2 3.3Å; A195-E197 WeakPolarHBondContact CB-OE2 3.39Å; A195-E197 PolarHBondContact O-N 3.27Å; E197-A201 PolarHBondContact O-N 3.16Å; E197-C202 HydrophobicContact CB-CB 3.83Å; E197-C202 WeakPolarHBondContact O-CB 3.43Å; E197-C202 PolarHBondContact O-N 3.11Å; E197-V209 HydrophobicContact CG-CG2 4.47Å; E197-V209 WeakPolarHBondContact OE1-CG2 3.42Å; E197-I255 HydrophobicContact CB-CD1 4.19Å; E197-I255 HydrophobicContact CB-CG1 4.43Å; E197-P297 HydrophobicContact CG-CB 4.49Å; E197-P297 HydrophobicContact CG-CG 4.45Å; E197-R300 IonicContact OE1-CZ 3.02Å; E197-R300 IonicContact OE1-NH1 3.51Å; E197-R300 PolarHBondContact OE1-NH1 3.1Å; E197-R300 IonicContact OE1-NH2 2.73Å; E197-R300 IonicContact OE2-CZ 3.88Å; E197-R300 IonicContact OE2-NH1 3.21Å; E197-R300 PolarHBondContact OE2-NH1 2.93Å; E197-R300 IonicContact OE2-NH2 2.72Å; E197-R300 PolarHBondContact OE2-NH2 2.88Å |
| 198 | I | 88.3 | Confident | 84.1 | Confident | 21 Ų | 21 | 31.7 Ų | 31.7 | 11% | 0.108 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76.1 | -45 | 170.2 | -67.7 | 179.3 | 0 | 0 | 0 | 110.2 | R194 A195 P196 L200 A201 Y205 V209 | R194-I198 HydrophobicContact CB-CG2 4.45Å; A195-I198 WeakPolarHBondContact O-CB 3.48Å; A195-I198 PolarHBondContact O-N 2.71Å; P196-I198 VanDerWaalsContact C-N 3.29Å; P196-I198 PolarHBondContact O-N 3.25Å; I198-L200 VanDerWaalsContact C-N 3.28Å; I198-L200 PolarHBondContact O-N 2.87Å; I198-A201 PolarHBondContact O-N 3.38Å; I198-Y205 HydrophobicContact CB-CE1 4.47Å; I198-Y205 HydrophobicContact CG1-CD1 3.97Å; I198-Y205 HydrophobicContact CG1-CE1 3.69Å; I198-V209 HydrophobicContact CD1-CB 4.42Å; I198-V209 HydrophobicContact CD1-CG1 3.54Å; I198-V209 HydrophobicContact CD1-CG2 3.99Å; I198-V209 HydrophobicContact CG1-CG2 4.27Å |
| 199 | L | 88.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 28.2 Ų | 28.2 | 9% | 0.094 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.1 | -32.1 | -179.3 | -65.2 | 166.2 | 0 | 0 | 0 | 112.5 | R194 A195 P196 A201 T233 Q236 I237 I240 | R194-L199 HydrophobicContact CB-CD1 4.32Å; R194-L199 HydrophobicContact CB-CD2 3.9Å; R194-L199 HydrophobicContact CB-CG 3.91Å; A195-L199 PolarHBondContact O-N 3.1Å; A195-L199 VanDerWaalsContact O-N 3.14Å; P196-L199 PolarHBondContact O-N 3Å; L199-A201 VanDerWaalsContact C-N 3.35Å; L199-T233 HydrophobicContact CB-CG2 4.47Å; L199-T233 HydrophobicContact CD2-CG2 4.24Å; L199-Q236 HydrophobicContact CD1-CB 4.33Å; L199-Q236 HydrophobicContact CD1-CG 3.48Å; L199-Q236 VanDerWaalsContact CD1-CG 3.48Å; L199-Q236 HydrophobicContact CD2-CG 4.03Å; L199-Q236 HydrophobicContact CG-CG 4.43Å; L199-I237 HydrophobicContact CB-CD1 4.07Å; L199-I237 HydrophobicContact CB-CG1 3.92Å; L199-I237 HydrophobicContact CD1-CG1 4.24Å; L199-I240 HydrophobicContact CD1-CD1 3.57Å |
| 200 | L | 85.9 | Confident | 88.3 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 10.5 | 176.9 | -64.5 | 170.2 | 0 | 0 | 0 | 113.4 | P196 I198 C202 I237 I255 S257 I263 L264 F295 | P196-L200 WeakPolarHBondContact O-CB 3.48Å; P196-L200 WeakPolarHBondContact O-CG 3.45Å; P196-L200 PolarHBondContact O-N 2.85Å; I198-L200 VanDerWaalsContact C-N 3.28Å; I198-L200 PolarHBondContact O-N 2.87Å; L200-C202 VanDerWaalsContact C-N 3.3Å; L200-C202 PolarHBondContact O-N 2.83Å; L200-I237 HydrophobicContact CD2-CD1 3.7Å; L200-I237 HydrophobicContact CG-CD1 4.26Å; L200-I255 HydrophobicContact CB-CG2 3.98Å; L200-I255 HydrophobicContact CD1-CD1 3.85Å; L200-I255 HydrophobicContact CD1-CG2 4.09Å; L200-S257 WeakPolarHBondContact O-CB 3.14Å; L200-S257 PolarHBondContact O-OG 2.93Å; L200-I263 HydrophobicContact CD2-CB 4.13Å; L200-I263 HydrophobicContact CD2-CD1 3.93Å; L200-I263 HydrophobicContact CD2-CG2 4Å; L200-L264 HydrophobicContact CD1-CD2 4.45Å; L200-F295 HydrophobicContact CD1-CE2 4.43Å; L200-F295 HydrophobicContact CD1-CZ 3.99Å |
| 201 | A | 79.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 25 Ų | 25 | 26% | 0.256 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L184 E197 I198 L199 H203 | L184-A201 HydrophobicContact CD1-CB 3.66Å; E197-A201 PolarHBondContact O-N 3.16Å; I198-A201 PolarHBondContact O-N 3.38Å; L199-A201 VanDerWaalsContact C-N 3.35Å; A201-H203 PolarHBondContact O-CE1 3.11Å; A201-H203 PolarHBondContact O-ND1 3.26Å |
| 202 | C | 77.4 | Confident | 89.8 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | trans | -60.3 | 140.4 | 167.3 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | E197 L200 Y205 I255 | E197-C202 HydrophobicContact CB-CB 3.83Å; E197-C202 WeakPolarHBondContact O-CB 3.43Å; E197-C202 PolarHBondContact O-N 3.11Å; L200-C202 VanDerWaalsContact C-N 3.3Å; L200-C202 PolarHBondContact O-N 2.83Å; C202-Y205 WeakPolarHBondContact O-CE1 3.47Å; C202-I255 HydrophobicContact CB-CG2 4.12Å | ||
| 203 | H | 70.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 20.2 Ų | 20.2 | 40% | 0.403 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -86.6 | -22.5 | -177.4 | -61.8 | 27.7 | 0 | 0 | 0 | 111.7 | A201 Y205 | A201-H203 PolarHBondContact O-CE1 3.11Å; A201-H203 PolarHBondContact O-ND1 3.26Å; H203-Y205 PolarHBondContact O-N 3.38Å |
| 204 | N | 75.4 | Confident | 90 | Very high | 74 Ų | 74 | 19.7 Ų | 19.7 | 40% | 0.396 | 10% | 0.102 | S | C | . | . | trans | -97.4 | 73.2 | -171.8 | -65.3 | 26.7 | 0 | 0 | 0 | 110.6 | ||||
| 205 | Y | 83.8 | Confident | 90.2 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | trans | -68.6 | 134.2 | 174.3 | -56.6 | -40 | 0 | 0 | 0 | 111.6 | L162 L181 I198 C202 H203 V209 | L162-Y205 WeakPolarHBondContact CD2-O 3.44Å; L181-Y205 HydrophobicContact CD2-CE2 3.83Å; I198-Y205 HydrophobicContact CB-CE1 4.47Å; I198-Y205 HydrophobicContact CG1-CD1 3.97Å; I198-Y205 HydrophobicContact CG1-CE1 3.69Å; C202-Y205 WeakPolarHBondContact O-CE1 3.47Å; H203-Y205 PolarHBondContact O-N 3.38Å; Y205-V209 HydrophobicContact CD1-CG2 4.48Å | ||
| 206 | T | 91.5 | Very high | 90.4 | Very high | 31 Ų | 31 | 17.7 Ų | 17.7 | 19% | 0.19 | 10% | 0.095 | C | C | . | . | trans | -116.5 | 175.6 | 177.3 | 76.4 | 0 | 0 | 0 | 0 | 111.1 | G208 V209 | T206-G208 PolarHBondContact O-N 2.93Å; T206-G208 PolarHBondContact OG1-N 3.21Å; T206-G208 VanDerWaalsContact OG1-N 3.11Å; T206-V209 WeakPolarHBondContact O-CB 3.39Å; T206-V209 WeakPolarHBondContact O-CG2 3.29Å; T206-V209 PolarHBondContact O-N 3.2Å | ||
| 207 | K | 95.7 | Very high | 90.6 | Very high | 70 Ų | 70 | 17.5 Ų | 17.5 | 30% | 0.304 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -30.7 | 168.7 | -69 | 176.3 | -175.9 | -173.5 | 0 | 113.1 | H129 E132 I134 L162 V209 D210 | H129-K207 HydrophobicContact CB-CD 3.95Å; H129-K207 HydrophobicContact CB-CG 4.29Å; H129-K207 PolarHBondContact CE1-O 3.34Å; H129-K207 WeakPolarHBondContact O-CE 3.47Å; H129-K207 PolarHBondContact O-NZ 3.11Å; E132-K207 WeakPolarHBondContact OE1-CE 3.38Å; E132-K207 IonicContact OE1-NZ 2.75Å; E132-K207 PolarHBondContact OE1-NZ 3.11Å; E132-K207 WeakPolarHBondContact OE2-CE 3.2Å; E132-K207 IonicContact OE2-NZ 3.66Å; I134-K207 HydrophobicContact CG2-CG 4.37Å; L162-K207 HydrophobicContact CD1-CG 3.85Å; K207-V209 PolarHBondContact O-N 3.48Å; K207-V209 VanDerWaalsContact O-N 3.08Å; K207-D210 PolarHBondContact O-N 3.32Å |
| 208 | G | 96.1 | Very high | 91 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 7% | 0.072 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.1 | -18.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T206 D210 I211 W212 R300 | T206-G208 PolarHBondContact O-N 2.93Å; T206-G208 PolarHBondContact OG1-N 3.21Å; T206-G208 VanDerWaalsContact OG1-N 3.11Å; G208-D210 PolarHBondContact O-N 2.7Å; G208-I211 PolarHBondContact O-N 2.88Å; G208-W212 PolarHBondContact O-N 2.8Å; G208-W212 VanDerWaalsContact O-N 3.08Å; G208-R300 VanDerWaalsContact C-NH1 3.26Å; G208-R300 WeakPolarHBondContact O-CD 3.48Å; G208-R300 PolarHBondContact O-NH1 3.27Å |
| 209 | V | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.4 | -49.6 | 172.6 | 162.8 | 0 | 0 | 0 | 0 | 111.4 | R136 E197 I198 Y205 T206 K207 W212 S213 | R136-V209 HydrophobicContact CB-CG1 4.32Å; R136-V209 HydrophobicContact CG-CG1 4.2Å; E197-V209 HydrophobicContact CG-CG2 4.47Å; E197-V209 WeakPolarHBondContact OE1-CG2 3.42Å; I198-V209 HydrophobicContact CD1-CB 4.42Å; I198-V209 HydrophobicContact CD1-CG1 3.54Å; I198-V209 HydrophobicContact CD1-CG2 3.99Å; I198-V209 HydrophobicContact CG1-CG2 4.27Å; Y205-V209 HydrophobicContact CD1-CG2 4.48Å; T206-V209 WeakPolarHBondContact O-CB 3.39Å; T206-V209 WeakPolarHBondContact O-CG2 3.29Å; T206-V209 PolarHBondContact O-N 3.2Å; K207-V209 PolarHBondContact O-N 3.48Å; K207-V209 VanDerWaalsContact O-N 3.08Å; V209-W212 PolarHBondContact O-N 3.14Å; V209-S213 PolarHBondContact O-N 2.93Å; V209-S213 PolarHBondContact O-OG 2.98Å |
| 210 | D | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73 | -35.1 | -175.6 | -67.8 | -33.3 | 0 | 0 | 0 | 111.1 | I125 H129 I134 H135 R136 L138 K207 G208 W212 S213 L214 | I125-D210 HydrophobicContact CG2-CB 4.23Å; H129-D210 IonicContact CD2-OD2 3.09Å; H129-D210 IonicContact CE1-OD2 3.56Å; H129-D210 IonicContact NE2-OD2 3.74Å; H129-D210 PolarHBondContact NE2-OD2 2.94Å; I134-D210 WeakPolarHBondContact CA-OD2 3.22Å; I134-D210 WeakPolarHBondContact CB-OD2 3.02Å; H135-D210 WeakPolarHBondContact CB-OD1 3.09Å; H135-D210 PolarHBondContact N-OD1 3.2Å; H135-D210 VanDerWaalsContact N-OD1 3.09Å; H135-D210 PolarHBondContact N-OD2 3.35Å; R136-D210 PolarHBondContact N-OD1 3.21Å; L138-D210 HydrophobicContact CD1-CB 3.66Å; K207-D210 PolarHBondContact O-N 3.32Å; G208-D210 PolarHBondContact O-N 2.7Å; D210-W212 VanDerWaalsContact C-N 3.34Å; D210-W212 PolarHBondContact O-N 3.21Å; D210-S213 PolarHBondContact O-N 2.89Å; D210-L214 WeakPolarHBondContact O-CG 3.35Å; D210-L214 PolarHBondContact O-N 2.85Å |
| 211 | I | 98.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 175.5 | -53.9 | -59 | 0 | 0 | 0 | 111.1 | I125 G208 S213 L214 G215 M292 R300 I301 A303 | I125-I211 HydrophobicContact CG2-CD1 4.45Å; G208-I211 PolarHBondContact O-N 2.88Å; I211-S213 PolarHBondContact O-N 3.06Å; I211-L214 PolarHBondContact O-N 3.31Å; I211-G215 PolarHBondContact O-N 3.19Å; I211-M292 HydrophobicContact CG2-CB 3.96Å; I211-M292 HydrophobicContact CG2-CE 4.22Å; I211-M292 HydrophobicContact CG2-CG 3.8Å; I211-M292 WeakPolarHBondContact O-CE 3.32Å; I211-R300 HydrophobicContact CB-CB 4.5Å; I211-R300 HydrophobicContact CG2-CB 4.14Å; I211-I301 WeakPolarHBondContact CG1-O 3.38Å; I211-I301 HydrophobicContact CG2-CG2 4.3Å; I211-I301 VanDerWaalsContact CG2-O 3.27Å; I211-I301 WeakPolarHBondContact CG2-O 3.45Å; I211-A303 HydrophobicContact CD1-CB 4.12Å |
| 212 | W | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 174.8 | 176.3 | -81.1 | 0 | 0 | 0 | 111.6 | R194 A195 P196 G208 V209 D210 L214 G215 C216 F228 I240 L244 I293 N294 | R194-W212 PolarHBondContact O-NE1 3.36Å; A195-W212 HydrophobicContact CB-CB 3.8Å; A195-W212 HydrophobicContact CB-CD2 4.37Å; A195-W212 HydrophobicContact CB-CG 3.7Å; P196-W212 HydrophobicContact CG-CE3 4.44Å; P196-W212 HydrophobicContact CG-CZ3 4.29Å; G208-W212 PolarHBondContact O-N 2.8Å; G208-W212 VanDerWaalsContact O-N 3.08Å; V209-W212 PolarHBondContact O-N 3.14Å; D210-W212 VanDerWaalsContact C-N 3.34Å; D210-W212 PolarHBondContact O-N 3.21Å; W212-L214 PolarHBondContact O-N 3.23Å; W212-G215 WeakPolarHBondContact O-CA 3.39Å; W212-G215 PolarHBondContact O-N 3.09Å; W212-C216 PolarHBondContact O-N 3.05Å; W212-F228 HydrophobicContact CH2-CE2 4.26Å; W212-F228 HydrophobicContact CZ2-CD2 4.18Å; W212-F228 AromaticContact CZ2-CE2 3.82Å; W212-F228 HydrophobicContact CZ2-CE2 3.82Å; W212-I240 HydrophobicContact CH2-CG1 4.48Å; W212-I240 HydrophobicContact CH2-CG2 3.66Å; W212-I240 HydrophobicContact CZ2-CD1 3.82Å; W212-I240 HydrophobicContact CZ2-CG1 3.89Å; W212-I240 HydrophobicContact CZ2-CG2 3.9Å; W212-L244 HydrophobicContact CH2-CD1 4.39Å; W212-I293 HydrophobicContact CD2-CD1 4.09Å; W212-I293 HydrophobicContact CE3-CD1 4.17Å; W212-I293 HydrophobicContact CH2-CD1 4.49Å; W212-I293 HydrophobicContact CH2-CG2 3.78Å; W212-I293 HydrophobicContact CZ2-CD1 4.42Å; W212-I293 HydrophobicContact CZ2-CG2 4.5Å; W212-I293 HydrophobicContact CZ3-CB 4.36Å; W212-I293 HydrophobicContact CZ3-CD1 4.38Å; W212-I293 HydrophobicContact CZ3-CG2 3.86Å; W212-N294 WeakPolarHBondContact CZ3-O 3.43Å |
| 213 | S | 98.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 112.4 | Y193 V209 D210 I211 G215 C216 I217 | Y193-S213 WeakPolarHBondContact O-CB 3.23Å; Y193-S213 PolarHBondContact O-OG 3.32Å; V209-S213 PolarHBondContact O-N 2.93Å; V209-S213 PolarHBondContact O-OG 2.98Å; D210-S213 PolarHBondContact O-N 2.89Å; I211-S213 PolarHBondContact O-N 3.06Å; S213-G215 VanDerWaalsContact C-N 3.27Å; S213-G215 PolarHBondContact O-N 2.63Å; S213-C216 PolarHBondContact O-N 3.09Å; S213-I217 WeakPolarHBondContact O-CG1 3.33Å; S213-I217 PolarHBondContact O-N 3.32Å |
| 214 | L | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.3 | -34.9 | 170 | -72.6 | -171.3 | 0 | 0 | 0 | 112.2 | M118 L121 F122 I125 L138 D210 I211 W212 I217 L218 M292 | M118-L214 HydrophobicContact CE-CB 4.25Å; L121-L214 HydrophobicContact CB-CD1 4.48Å; L121-L214 HydrophobicContact CB-CD2 3.89Å; L121-L214 HydrophobicContact CD1-CD2 4Å; L121-L214 HydrophobicContact CD2-CD2 4.25Å; L121-L214 HydrophobicContact CG-CD2 4.27Å; F122-L214 HydrophobicContact CD1-CD1 3.65Å; F122-L214 HydrophobicContact CE1-CD1 3.79Å; I125-L214 HydrophobicContact CB-CD1 4.37Å; I125-L214 HydrophobicContact CG1-CD1 3.86Å; I125-L214 HydrophobicContact CG1-CG 4.42Å; L138-L214 HydrophobicContact CD1-CD2 4.05Å; L138-L214 HydrophobicContact CD1-CG 4.06Å; D210-L214 WeakPolarHBondContact O-CG 3.35Å; D210-L214 PolarHBondContact O-N 2.85Å; I211-L214 PolarHBondContact O-N 3.31Å; W212-L214 PolarHBondContact O-N 3.23Å; L214-I217 HydrophobicContact CD2-CD1 4.24Å; L214-I217 PolarHBondContact O-N 3.28Å; L214-L218 PolarHBondContact O-N 3.47Å; L214-M292 HydrophobicContact CB-CE 3.42Å; L214-M292 VanDerWaalsContact CB-CE 3.42Å |
| 215 | G | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I211 W212 S213 I217 L218 G219 L289 M292 | I211-G215 PolarHBondContact O-N 3.19Å; W212-G215 WeakPolarHBondContact O-CA 3.39Å; W212-G215 PolarHBondContact O-N 3.09Å; S213-G215 VanDerWaalsContact C-N 3.27Å; S213-G215 PolarHBondContact O-N 2.63Å; G215-I217 VanDerWaalsContact C-N 3.31Å; G215-I217 PolarHBondContact O-N 2.82Å; G215-L218 PolarHBondContact O-N 2.85Å; G215-G219 PolarHBondContact O-N 3.05Å; G215-L289 WeakPolarHBondContact O-CD1 3.29Å; G215-M292 VanDerWaalsContact N-CE 3.32Å |
| 216 | C | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 172.5 | -70.2 | 0 | 0 | 0 | 0 | 112 | Y193 W212 S213 G219 E220 | Y193-C216 HydrophobicContact CD1-CB 3.76Å; W212-C216 PolarHBondContact O-N 3.05Å; S213-C216 PolarHBondContact O-N 3.09Å; C216-G219 PolarHBondContact O-N 3.14Å; C216-E220 WeakPolarHBondContact O-CB 3.19Å; C216-E220 PolarHBondContact O-N 2.94Å |
| 217 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 176.1 | -68.5 | 162.7 | 0 | 0 | 0 | 111.3 | L99 L121 L138 P140 V143 Y193 S213 L214 G215 E220 M221 | L99-I217 HydrophobicContact CD2-CG2 3.6Å; L121-I217 HydrophobicContact CD1-CG2 4.35Å; L138-I217 HydrophobicContact CB-CD1 4.17Å; P140-I217 HydrophobicContact CG-CG1 4.05Å; V143-I217 HydrophobicContact CG2-CD1 4.48Å; Y193-I217 HydrophobicContact CD1-CG1 4.36Å; S213-I217 WeakPolarHBondContact O-CG1 3.33Å; S213-I217 PolarHBondContact O-N 3.32Å; L214-I217 HydrophobicContact CD2-CD1 4.24Å; L214-I217 PolarHBondContact O-N 3.28Å; G215-I217 VanDerWaalsContact C-N 3.31Å; G215-I217 PolarHBondContact O-N 2.82Å; I217-E220 PolarHBondContact O-N 2.79Å; I217-M221 HydrophobicContact CG2-CE 4.44Å; I217-M221 PolarHBondContact O-N 3.37Å |
| 218 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.3 | 177.5 | 52.2 | 0 | 0 | 0 | 111.5 | M118 L214 G215 E220 M221 L222 V285 L288 L289 M292 Y311 | M118-L218 HydrophobicContact CE-CB 4.05Å; M118-L218 HydrophobicContact CE-CD2 4.38Å; M118-L218 HydrophobicContact CG-CD1 3.88Å; M118-L218 HydrophobicContact SD-CB 3.9Å; M118-L218 HydrophobicContact SD-CD1 4.26Å; L214-L218 PolarHBondContact O-N 3.47Å; G215-L218 PolarHBondContact O-N 2.85Å; L218-E220 VanDerWaalsContact C-N 3.31Å; L218-E220 PolarHBondContact O-N 2.84Å; L218-M221 HydrophobicContact CD1-CE 4.35Å; L218-M221 PolarHBondContact O-N 3.48Å; L218-L222 HydrophobicContact CD1-CD1 3.99Å; L218-L222 HydrophobicContact CD1-CG 4.22Å; L218-L222 HydrophobicContact CG-CD1 4.06Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.28Å; L218-L222 PolarHBondContact O-N 2.96Å; L218-V285 HydrophobicContact CD1-CG2 3.86Å; L218-V285 HydrophobicContact CD2-CG2 3.84Å; L218-V285 HydrophobicContact CG-CG2 4.16Å; L218-L288 HydrophobicContact CD2-CD2 3.93Å; L218-L288 HydrophobicContact CD2-CG 4.19Å; L218-L289 HydrophobicContact CB-CD1 4.18Å; L218-L289 HydrophobicContact CD2-CB 4.5Å; L218-L289 HydrophobicContact CD2-CD1 4.18Å; L218-L289 HydrophobicContact CG-CD1 4.2Å; L218-M292 HydrophobicContact CD2-SD 4.43Å; L218-Y311 HydrophobicContact CD1-CE1 4.13Å |
| 219 | G | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.4 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G215 C216 L222 I223 | G215-G219 PolarHBondContact O-N 3.05Å; C216-G219 PolarHBondContact O-N 3.14Å; G219-L222 PolarHBondContact O-N 3.41Å; G219-L222 VanDerWaalsContact O-N 3.15Å; G219-I223 WeakPolarHBondContact O-CG1 3.49Å; G219-I223 PolarHBondContact O-N 3.01Å |
| 220 | E | 96.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | 177.1 | -177.8 | 166.7 | 159.5 | 0 | 0 | 112.9 | I103 Y193 C216 I217 L218 L222 G224 T225 P226 | I103-E220 HydrophobicContact CD1-CG 3.98Å; I103-E220 HydrophobicContact CG2-CG 4.19Å; Y193-E220 VanDerWaalsContact CE1-OE2 3.29Å; Y193-E220 WeakPolarHBondContact CE1-OE2 3.21Å; Y193-E220 PolarHBondContact OH-OE2 2.87Å; C216-E220 WeakPolarHBondContact O-CB 3.19Å; C216-E220 PolarHBondContact O-N 2.94Å; I217-E220 PolarHBondContact O-N 2.79Å; L218-E220 VanDerWaalsContact C-N 3.31Å; L218-E220 PolarHBondContact O-N 2.84Å; E220-L222 PolarHBondContact O-N 2.71Å; E220-G224 WeakPolarHBondContact O-CA 3.09Å; E220-G224 PolarHBondContact O-N 2.79Å; E220-T225 WeakPolarHBondContact CA-O 3.3Å; E220-P226 VanDerWaalsContact OE2-CA 3.29Å; E220-P226 WeakPolarHBondContact OE2-CA 3.46Å; E220-P226 WeakPolarHBondContact OE2-CB 3.27Å |
| 221 | M | 96.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -29.2 | 169.9 | -77.4 | -164.3 | -64.3 | 0 | 0 | 112.9 | L99 I103 L109 K114 I117 M118 I217 L218 | L99-M221 HydrophobicContact CD1-CG 4.12Å; L99-M221 HydrophobicContact CD1-SD 3.86Å; L99-M221 HydrophobicContact CD2-CG 4.25Å; L99-M221 HydrophobicContact CD2-SD 4Å; I103-M221 HydrophobicContact CD1-CB 4.41Å; I103-M221 HydrophobicContact CD1-CG 3.57Å; I103-M221 HydrophobicContact CG1-CG 4.1Å; L109-M221 HydrophobicContact CD1-CG 4.09Å; L109-M221 HydrophobicContact CD1-SD 4.21Å; K114-M221 HydrophobicContact CB-SD 4.45Å; K114-M221 HydrophobicContact CD-CB 4.28Å; K114-M221 WeakPolarHBondContact CE-O 3.47Å; K114-M221 HydrophobicContact CG-CB 4.34Å; K114-M221 HydrophobicContact CG-SD 4.47Å; K114-M221 PolarHBondContact NZ-O 3.26Å; I117-M221 HydrophobicContact CB-CE 4.49Å; I117-M221 HydrophobicContact CB-SD 4.28Å; I117-M221 HydrophobicContact CD1-SD 4.26Å; I117-M221 HydrophobicContact CG2-CE 4.05Å; I117-M221 HydrophobicContact CG2-SD 3.88Å; M118-M221 HydrophobicContact CG-CE 3.71Å; M118-M221 HydrophobicContact SD-CE 3.45Å; M118-M221 WeakPolarHBondContact SD-CE 3.36Å; I217-M221 HydrophobicContact CG2-CE 4.44Å; I217-M221 PolarHBondContact O-N 3.37Å; L218-M221 HydrophobicContact CD1-CE 4.35Å; L218-M221 PolarHBondContact O-N 3.48Å |
| 222 | L | 94.6 | Very high | 95.5 | Very high | 34 Ų | 34 | 22.4 Ų | 22.4 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -79 | -44.8 | 179.8 | -70.5 | 165.9 | 0 | 0 | 0 | 112.2 | K114 L218 G219 E220 L278 T281 V285 | K114-L222 HydrophobicContact CD-CD2 4.27Å; L218-L222 HydrophobicContact CD1-CD1 3.99Å; L218-L222 HydrophobicContact CD1-CG 4.22Å; L218-L222 HydrophobicContact CG-CD1 4.06Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.28Å; L218-L222 PolarHBondContact O-N 2.96Å; G219-L222 PolarHBondContact O-N 3.41Å; G219-L222 VanDerWaalsContact O-N 3.15Å; E220-L222 PolarHBondContact O-N 2.71Å; L222-L278 HydrophobicContact CB-CD2 3.42Å; L222-L278 VanDerWaalsContact CB-CD2 3.42Å; L222-L278 HydrophobicContact CD1-CD2 3.83Å; L222-L278 HydrophobicContact CG-CD2 4.26Å; L222-T281 HydrophobicContact CD1-CG2 4.14Å; L222-T281 HydrophobicContact CD2-CG2 4.28Å; L222-V285 HydrophobicContact CD1-CG1 4.18Å; L222-V285 HydrophobicContact CD1-CG2 4.04Å; L222-V285 HydrophobicContact CD2-CG1 4.24Å |
| 223 | I | 92.8 | Very high | 95 | Very high | 55 Ų | 55 | 24.5 Ų | 24.5 | 28% | 0.282 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -99.8 | -1.5 | -176.9 | 73.7 | -176.2 | 0 | 0 | 0 | 115.4 | G219 T225 L227 I277 L278 | G219-I223 WeakPolarHBondContact O-CG1 3.49Å; G219-I223 PolarHBondContact O-N 3.01Å; I223-T225 WeakPolarHBondContact CD1-O 3.46Å; I223-T225 WeakPolarHBondContact CG1-O 3Å; I223-T225 PolarHBondContact O-N 2.92Å; I223-L227 HydrophobicContact CD1-CD1 4.35Å; I223-I277 HydrophobicContact CD1-CG2 4.06Å; I223-L278 HydrophobicContact CG2-CD2 3.46Å; I223-L278 VanDerWaalsContact CG2-CD2 3.46Å; I223-L278 HydrophobicContact CG2-CG 3.99Å |
| 224 | G | 93.3 | Very high | 94.5 | Very high | 38 Ų | 38 | 29.3 Ų | 29.3 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 71.3 | 3.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E220 | E220-G224 WeakPolarHBondContact O-CA 3.09Å; E220-G224 PolarHBondContact O-N 2.79Å |
| 225 | T | 93.9 | Very high | 94.1 | Very high | 83 Ų | 83 | 31.2 Ų | 31.2 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -145.5 | 155.1 | -177.3 | 51.7 | 0 | 0 | 0 | 0 | 111 | E220 I223 L227 | E220-T225 WeakPolarHBondContact CA-O 3.3Å; I223-T225 WeakPolarHBondContact CD1-O 3.46Å; I223-T225 WeakPolarHBondContact CG1-O 3Å; I223-T225 PolarHBondContact O-N 2.92Å; T225-L227 PolarHBondContact O-N 3.07Å |
| 226 | P | 95.8 | Very high | 93.8 | Very high | 28 Ų | 28 | 31.2 Ų | 31.2 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | trans | -61.1 | 131.4 | -174.2 | -23.9 | 33 | 0 | 0 | 0 | 113.5 | W192 E220 F228 P229 | W192-P226 HydrophobicContact CD2-CB 4.22Å; W192-P226 HydrophobicContact CE3-CB 3.56Å; W192-P226 HydrophobicContact CE3-CG 3.53Å; W192-P226 HydrophobicContact CZ3-CB 4.1Å; W192-P226 HydrophobicContact CZ3-CG 3.54Å; E220-P226 VanDerWaalsContact OE2-CA 3.29Å; E220-P226 WeakPolarHBondContact OE2-CA 3.46Å; E220-P226 WeakPolarHBondContact OE2-CB 3.27Å; P226-F228 PolarHBondContact O-N 3.38Å; P226-P229 HydrophobicContact CB-CB 4.49Å; P226-P229 WeakPolarHBondContact O-CD 3.37Å | ||
| 227 | L | 95.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -61 | -40.2 | -171.1 | -174.8 | 64.5 | 0 | 0 | 0 | 113.8 | I223 T225 L274 I277 L278 | I223-L227 HydrophobicContact CD1-CD1 4.35Å; T225-L227 PolarHBondContact O-N 3.07Å; L227-L274 HydrophobicContact CD1-CD1 3.91Å; L227-L274 HydrophobicContact CD2-CD1 4.21Å; L227-I277 HydrophobicContact CD1-CG2 4.12Å; L227-L278 HydrophobicContact CD1-CD1 4.37Å |
| 228 | F | 95.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -130.8 | 79.3 | -179.3 | -58.5 | -60.1 | 0 | 0 | 0 | 111.2 | W192 W212 P226 G230 Q236 R239 I240 I293 | W192-F228 WeakPolarHBondContact CA-O 3.46Å; W192-F228 WeakPolarHBondContact CB-O 3.17Å; W212-F228 HydrophobicContact CH2-CE2 4.26Å; W212-F228 HydrophobicContact CZ2-CD2 4.18Å; W212-F228 AromaticContact CZ2-CE2 3.82Å; W212-F228 HydrophobicContact CZ2-CE2 3.82Å; P226-F228 PolarHBondContact O-N 3.38Å; F228-G230 PolarHBondContact O-N 3.27Å; F228-Q236 VanDerWaalsContact CB-NE2 3.29Å; F228-Q236 PolarHBondContact O-NE2 3.29Å; F228-Q236 PolarHBondContact O-OE1 2.58Å; F228-R239 HydrophobicContact CD1-CB 4.45Å; F228-I240 HydrophobicContact CB-CG1 4.25Å; F228-I240 HydrophobicContact CD1-CG1 4.29Å; F228-I240 HydrophobicContact CD2-CG1 3.97Å; F228-I240 HydrophobicContact CE2-CG1 4.38Å; F228-I240 HydrophobicContact CG-CG1 3.93Å; F228-I293 HydrophobicContact CE2-CD1 4.5Å; F228-I293 HydrophobicContact CE2-CG2 4.08Å; F228-I293 HydrophobicContact CZ-CG2 4.06Å |
| 229 | P | 94.7 | Very high | 92.9 | Very high | 51 Ų | 51 | 36.7 Ų | 36.7 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | trans | -85.4 | 74.2 | -171.9 | 32.7 | -32 | 0 | 0 | 0 | 112.1 | W192 P226 R239 | W192-P229 HydrophobicContact CD2-CB 4.41Å; P226-P229 HydrophobicContact CB-CB 4.49Å; P226-P229 WeakPolarHBondContact O-CD 3.37Å; P229-R239 VanDerWaalsContact O-CZ 3.3Å; P229-R239 PolarHBondContact O-NE 3.1Å; P229-R239 PolarHBondContact O-NH1 3.36Å | ||
| 230 | G | 93.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -79.4 | 128 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | R191 W192 F228 | R191-G230 PolarHBondContact NH1-O 3.31Å; W192-G230 PolarHBondContact NE1-O 2.9Å; F228-G230 PolarHBondContact O-N 3.27Å | ||
| 231 | T | 91.1 | Very high | 92.6 | Very high | 108 Ų | 108 | 37.1 Ų | 37.1 | 66% | 0.663 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -73.6 | -30 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | R191 D235 | R191-T231 PolarHBondContact NH1-O 2.86Å; T231-D235 WeakPolarHBondContact CB-OD2 3.48Å; T231-D235 PolarHBondContact N-OD2 3.03Å; T231-D235 WeakPolarHBondContact OG1-CB 3.41Å; T231-D235 PolarHBondContact OG1-OD2 3.33Å |
| 232 | S | 88.8 | Confident | 92.4 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -139.1 | 171.6 | 176.1 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | R191 L234 D235 Q236 | R191-S232 WeakPolarHBondContact CD-O 3.38Å; S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 2.95Å; S232-D235 PolarHBondContact O-N 3.46Å; S232-D235 WeakPolarHBondContact OG-CB 3.25Å; S232-D235 PolarHBondContact OG-N 3.38Å; S232-D235 VanDerWaalsContact OG-N 3.14Å; S232-Q236 VanDerWaalsContact O-CB 3.3Å; S232-Q236 WeakPolarHBondContact O-CB 3.36Å; S232-Q236 PolarHBondContact O-N 2.64Å |
| 233 | T | 86.9 | Confident | 92.2 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -37.9 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | L199 Q236 I237 | L199-T233 HydrophobicContact CB-CG2 4.47Å; L199-T233 HydrophobicContact CD2-CG2 4.24Å; T233-Q236 PolarHBondContact O-N 3.12Å; T233-I237 HydrophobicContact CG2-CD1 4.08Å; T233-I237 WeakPolarHBondContact O-CD1 3.3Å; T233-I237 VanDerWaalsContact O-CG1 3.28Å; T233-I237 WeakPolarHBondContact O-CG1 3.5Å; T233-I237 PolarHBondContact O-N 3.24Å |
| 234 | L | 87.8 | Confident | 92.1 | Very high | 104 Ų | 104 | 34 Ų | 34 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.8 | -41.3 | 176.9 | -65.6 | 176.3 | 0 | 0 | 0 | 112.2 | S232 Q236 I237 G238 I263 | S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 2.95Å; L234-Q236 VanDerWaalsContact C-N 3.35Å; L234-I237 PolarHBondContact O-N 3.49Å; L234-G238 PolarHBondContact O-N 2.81Å; L234-I263 HydrophobicContact CD2-CG2 3.8Å |
| 235 | D | 90.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 37 Ų | 37 | 21% | 0.214 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 174.6 | 179.6 | 40.1 | 0 | 0 | 0 | 111.7 | T231 S232 G238 R239 | T231-D235 WeakPolarHBondContact CB-OD2 3.48Å; T231-D235 PolarHBondContact N-OD2 3.03Å; T231-D235 WeakPolarHBondContact OG1-CB 3.41Å; T231-D235 PolarHBondContact OG1-OD2 3.33Å; S232-D235 PolarHBondContact O-N 3.46Å; S232-D235 WeakPolarHBondContact OG-CB 3.25Å; S232-D235 PolarHBondContact OG-N 3.38Å; S232-D235 VanDerWaalsContact OG-N 3.14Å; D235-G238 PolarHBondContact O-N 3.03Å; D235-R239 WeakPolarHBondContact O-CB 3.22Å; D235-R239 VanDerWaalsContact O-CG 3.25Å; D235-R239 WeakPolarHBondContact O-CG 3.32Å; D235-R239 PolarHBondContact O-N 3.17Å; D235-R239 IonicContact OD1-CZ 3.72Å; D235-R239 IonicContact OD1-NE 3.13Å; D235-R239 PolarHBondContact OD1-NE 3.3Å; D235-R239 IonicContact OD1-NH2 3.39Å; D235-R239 PolarHBondContact OD1-NH2 3.14Å; D235-R239 VanDerWaalsContact OD1-NH2 3.13Å; D235-R239 IonicContact OD2-CZ 3.77Å; D235-R239 IonicContact OD2-NE 3.13Å; D235-R239 PolarHBondContact OD2-NE 3.45Å; D235-R239 IonicContact OD2-NH2 3.4Å; D235-R239 PolarHBondContact OD2-NH2 2.98Å |
| 236 | Q | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 172.4 | -172.8 | 66.4 | 41.9 | 0 | 0 | 111.4 | R191 W192 L199 F228 S232 T233 L234 R239 I240 | R191-Q236 HydrophobicContact CG-CB 4.35Å; R191-Q236 HydrophobicContact CG-CG 4.29Å; W192-Q236 PolarHBondContact O-NE2 3.5Å; L199-Q236 HydrophobicContact CD1-CB 4.33Å; L199-Q236 HydrophobicContact CD1-CG 3.48Å; L199-Q236 VanDerWaalsContact CD1-CG 3.48Å; L199-Q236 HydrophobicContact CD2-CG 4.03Å; L199-Q236 HydrophobicContact CG-CG 4.43Å; F228-Q236 VanDerWaalsContact CB-NE2 3.29Å; F228-Q236 PolarHBondContact O-NE2 3.29Å; F228-Q236 PolarHBondContact O-OE1 2.58Å; S232-Q236 VanDerWaalsContact O-CB 3.3Å; S232-Q236 WeakPolarHBondContact O-CB 3.36Å; S232-Q236 PolarHBondContact O-N 2.64Å; T233-Q236 PolarHBondContact O-N 3.12Å; L234-Q236 VanDerWaalsContact C-N 3.35Å; Q236-R239 PolarHBondContact O-N 2.74Å; Q236-I240 HydrophobicContact CG-CD1 4.12Å; Q236-I240 VanDerWaalsContact O-CG1 3.27Å; Q236-I240 WeakPolarHBondContact O-CG1 3.32Å; Q236-I240 PolarHBondContact O-N 3.27Å |
| 237 | I | 91.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.8 | -68.1 | 162.9 | 0 | 0 | 0 | 110.3 | L199 L200 T233 L234 R239 I240 L241 I263 L264 T267 | L199-I237 HydrophobicContact CB-CD1 4.07Å; L199-I237 HydrophobicContact CB-CG1 3.92Å; L199-I237 HydrophobicContact CD1-CG1 4.24Å; L200-I237 HydrophobicContact CD2-CD1 3.7Å; L200-I237 HydrophobicContact CG-CD1 4.26Å; T233-I237 HydrophobicContact CG2-CD1 4.08Å; T233-I237 WeakPolarHBondContact O-CD1 3.3Å; T233-I237 VanDerWaalsContact O-CG1 3.28Å; T233-I237 WeakPolarHBondContact O-CG1 3.5Å; T233-I237 PolarHBondContact O-N 3.24Å; L234-I237 PolarHBondContact O-N 3.49Å; I237-R239 VanDerWaalsContact C-N 3.35Å; I237-R239 PolarHBondContact O-N 3.42Å; I237-I240 PolarHBondContact O-N 3.34Å; I237-L241 HydrophobicContact CG2-CD1 3.62Å; I237-L241 HydrophobicContact CG2-CG 4.27Å; I237-L241 VanDerWaalsContact O-CG 3.26Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 3.34Å; I237-I263 HydrophobicContact CD1-CG2 3.99Å; I237-I263 HydrophobicContact CG2-CG2 4.34Å; I237-L264 HydrophobicContact CG2-CD2 4.43Å; I237-T267 HydrophobicContact CG2-CG2 4.4Å |
| 238 | G | 91.4 | Very high | 90.7 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 19% | 0.186 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L234 D235 A242 | L234-G238 PolarHBondContact O-N 2.81Å; D235-G238 PolarHBondContact O-N 3.03Å; G238-A242 WeakPolarHBondContact O-CB 3.5Å; G238-A242 PolarHBondContact O-N 3.24Å |
| 239 | R | 92.9 | Very high | 90.2 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 175.5 | -72.4 | 169.8 | -165.2 | -104.4 | -0.6 | 112.9 | F228 P229 D235 Q236 I237 A242 G243 | F228-R239 HydrophobicContact CD1-CB 4.45Å; P229-R239 VanDerWaalsContact O-CZ 3.3Å; P229-R239 PolarHBondContact O-NE 3.1Å; P229-R239 PolarHBondContact O-NH1 3.36Å; D235-R239 WeakPolarHBondContact O-CB 3.22Å; D235-R239 VanDerWaalsContact O-CG 3.25Å; D235-R239 WeakPolarHBondContact O-CG 3.32Å; D235-R239 PolarHBondContact O-N 3.17Å; D235-R239 IonicContact OD1-CZ 3.72Å; D235-R239 IonicContact OD1-NE 3.13Å; D235-R239 PolarHBondContact OD1-NE 3.3Å; D235-R239 IonicContact OD1-NH2 3.39Å; D235-R239 PolarHBondContact OD1-NH2 3.14Å; D235-R239 VanDerWaalsContact OD1-NH2 3.13Å; D235-R239 IonicContact OD2-CZ 3.77Å; D235-R239 IonicContact OD2-NE 3.13Å; D235-R239 PolarHBondContact OD2-NE 3.45Å; D235-R239 IonicContact OD2-NH2 3.4Å; D235-R239 PolarHBondContact OD2-NH2 2.98Å; Q236-R239 PolarHBondContact O-N 2.74Å; I237-R239 VanDerWaalsContact C-N 3.35Å; I237-R239 PolarHBondContact O-N 3.42Å; R239-A242 WeakPolarHBondContact O-CB 3.33Å; R239-A242 PolarHBondContact O-N 2.88Å; R239-G243 PolarHBondContact O-N 3.36Å |
| 240 | I | 94.1 | Very high | 90 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -50.6 | 175 | -73.7 | 171.2 | 0 | 0 | 0 | 109.9 | L199 W212 F228 Q236 I237 A242 G243 L244 | L199-I240 HydrophobicContact CD1-CD1 3.57Å; W212-I240 HydrophobicContact CH2-CG1 4.48Å; W212-I240 HydrophobicContact CH2-CG2 3.66Å; W212-I240 HydrophobicContact CZ2-CD1 3.82Å; W212-I240 HydrophobicContact CZ2-CG1 3.89Å; W212-I240 HydrophobicContact CZ2-CG2 3.9Å; F228-I240 HydrophobicContact CB-CG1 4.25Å; F228-I240 HydrophobicContact CD1-CG1 4.29Å; F228-I240 HydrophobicContact CD2-CG1 3.97Å; F228-I240 HydrophobicContact CE2-CG1 4.38Å; F228-I240 HydrophobicContact CG-CG1 3.93Å; Q236-I240 HydrophobicContact CG-CD1 4.12Å; Q236-I240 VanDerWaalsContact O-CG1 3.27Å; Q236-I240 WeakPolarHBondContact O-CG1 3.32Å; Q236-I240 PolarHBondContact O-N 3.27Å; I237-I240 PolarHBondContact O-N 3.34Å; I240-A242 PolarHBondContact O-N 2.63Å; I240-G243 PolarHBondContact O-N 2.93Å; I240-G243 VanDerWaalsContact O-N 3.16Å; I240-L244 HydrophobicContact CG2-CD1 3.56Å; I240-L244 HydrophobicContact CG2-CG 4.38Å; I240-L244 VanDerWaalsContact O-CG 3.3Å; I240-L244 WeakPolarHBondContact O-CG 3.33Å; I240-L244 PolarHBondContact O-N 2.92Å; I240-L244 VanDerWaalsContact O-N 3.16Å |
| 241 | L | 92.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.5 | -18.1 | 179.2 | -61.4 | 168.7 | 0 | 0 | 0 | 113.7 | I237 L247 L264 I269 F295 | I237-L241 HydrophobicContact CG2-CD1 3.62Å; I237-L241 HydrophobicContact CG2-CG 4.27Å; I237-L241 VanDerWaalsContact O-CG 3.26Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 3.34Å; L241-L247 HydrophobicContact CD2-CD1 3.71Å; L241-L247 HydrophobicContact CD2-CG 4.29Å; L241-L264 HydrophobicContact CD1-CD2 3.54Å; L241-L264 HydrophobicContact CD2-CD2 4.04Å; L241-L264 HydrophobicContact CG-CD2 4.38Å; L241-I269 HydrophobicContact CB-CD1 3.53Å; L241-I269 HydrophobicContact CB-CG1 4.01Å; L241-I269 HydrophobicContact CD1-CD1 3.82Å; L241-I269 HydrophobicContact CG-CD1 4.31Å; L241-F295 HydrophobicContact CD2-CD2 4.19Å; L241-F295 HydrophobicContact CD2-CE2 3.88Å |
| 242 | A | 91.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.9 | -35.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G238 R239 I240 I269 K270 R272 | G238-A242 WeakPolarHBondContact O-CB 3.5Å; G238-A242 PolarHBondContact O-N 3.24Å; R239-A242 WeakPolarHBondContact O-CB 3.33Å; R239-A242 PolarHBondContact O-N 2.88Å; I240-A242 PolarHBondContact O-N 2.63Å; A242-I269 VanDerWaalsContact CA-CG2 3.46Å; A242-I269 HydrophobicContact CB-CG2 3.8Å; A242-K270 WeakPolarHBondContact CB-O 3.42Å; A242-R272 CarbonylContact O-C 3.41Å; A242-R272 PolarHBondContact O-N 2.82Å |
| 243 | G | 90.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -82 | -28.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R239 I240 R272 P273 L274 | R239-G243 PolarHBondContact O-N 3.36Å; I240-G243 PolarHBondContact O-N 2.93Å; I240-G243 VanDerWaalsContact O-N 3.16Å; G243-R272 WeakPolarHBondContact CA-O 3.22Å; G243-P273 WeakPolarHBondContact O-CA 3.27Å; G243-L274 PolarHBondContact O-N 2.96Å |
| 244 | L | 92.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -80.4 | 157.7 | -176.9 | -69.9 | 170.5 | 0 | 0 | 0 | 113.8 | W212 I240 I293 F295 | W212-L244 HydrophobicContact CH2-CD1 4.39Å; I240-L244 HydrophobicContact CG2-CD1 3.56Å; I240-L244 HydrophobicContact CG2-CG 4.38Å; I240-L244 VanDerWaalsContact O-CG 3.3Å; I240-L244 WeakPolarHBondContact O-CG 3.33Å; I240-L244 PolarHBondContact O-N 2.92Å; I240-L244 VanDerWaalsContact O-N 3.16Å; L244-I293 HydrophobicContact CD2-CG2 4.02Å; L244-I293 WeakPolarHBondContact CD2-O 3.46Å; L244-F295 HydrophobicContact CD1-CB 4.07Å; L244-F295 HydrophobicContact CD1-CD2 3.96Å |
| 245 | P | 87.4 | Confident | 88.8 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 66% | 0.662 | 26% | 0.255 | S | S | * | . | trans | -54.5 | 166 | 161.5 | -24.5 | 35.1 | 0 | 0 | 0 | 113.1 | L247 | P245-L247 PolarHBondContact O-N 3.34Å; P245-L247 VanDerWaalsContact O-N 3.15Å | ||
| 246 | K | 85.8 | Confident | 87.9 | Confident | 172 Ų | 172 | 59.1 Ų | 59.1 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | trans | -67.1 | 114.2 | 171.7 | -178.5 | -173.5 | 174.3 | -173.6 | 0 | 109.1 | ||||
| 247 | L | 88.2 | Confident | 87 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 18% | 0.183 | 28% | 0.281 | C | S | . | . | trans | -53.7 | 140.9 | 176.6 | -52.6 | -175.7 | 0 | 0 | 0 | 111.8 | L241 P245 D251 I252 F295 | L241-L247 HydrophobicContact CD2-CD1 3.71Å; L241-L247 HydrophobicContact CD2-CG 4.29Å; P245-L247 PolarHBondContact O-N 3.34Å; P245-L247 VanDerWaalsContact O-N 3.15Å; L247-D251 HydrophobicContact CB-CB 4.3Å; L247-I252 HydrophobicContact CB-CG1 4.26Å; L247-I252 HydrophobicContact CD1-CG1 4.19Å; L247-F295 HydrophobicContact CD1-CD1 3.84Å; L247-F295 HydrophobicContact CD1-CD2 3.82Å; L247-F295 HydrophobicContact CD1-CE1 3.68Å; L247-F295 HydrophobicContact CD1-CE2 3.68Å; L247-F295 HydrophobicContact CD1-CG 3.89Å; L247-F295 HydrophobicContact CD1-CZ 3.58Å; L247-F295 HydrophobicContact CD2-CB 3.5Å; L247-F295 HydrophobicContact CD2-CD1 3.97Å; L247-F295 HydrophobicContact CD2-CD2 3.89Å; L247-F295 HydrophobicContact CD2-CG 3.52Å; L247-F295 HydrophobicContact CG-CG 4.37Å | ||
| 248 | N | 87.2 | Confident | 85.9 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | trans | -87 | -178.1 | 167.3 | 78.8 | 8.4 | 0 | 0 | 0 | 110.5 | E250 D251 I252 | N248-E250 PolarHBondContact ND2-OE2 2.94Å; N248-E250 WeakPolarHBondContact OD1-CB 3.29Å; N248-E250 PolarHBondContact OD1-N 3.45Å; N248-E250 VanDerWaalsContact OD1-N 3.12Å; N248-D251 PolarHBondContact N-OD2 3.39Å; N248-D251 WeakPolarHBondContact OD1-CB 3.45Å; N248-D251 PolarHBondContact OD1-N 2.9Å; N248-D251 PolarHBondContact OD1-OD2 2.98Å; N248-D251 VanDerWaalsContact OD1-OD2 3.11Å; N248-I252 WeakPolarHBondContact O-CG1 3.43Å | ||
| 249 | R | 85.8 | Confident | 85 | Confident | 204 Ų | 204 | 70.8 Ų | 70.8 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.3 | -46.9 | 177.8 | -76.9 | -171.9 | 179.5 | 162.3 | 0.2 | 112.5 | D251 I252 E253 | R249-D251 VanDerWaalsContact C-N 3.28Å; R249-D251 PolarHBondContact O-N 2.92Å; R249-I252 WeakPolarHBondContact O-CA 3.28Å; R249-I252 WeakPolarHBondContact O-CB 3.2Å; R249-I252 PolarHBondContact O-N 3.22Å; R249-E253 WeakPolarHBondContact O-CB 3.49Å; R249-E253 WeakPolarHBondContact O-CG 3.15Å; R249-E253 PolarHBondContact O-N 3.29Å |
| 250 | E | 88.9 | Confident | 84.1 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.2 | -38.1 | 178.3 | 173.1 | -136.1 | 166.6 | 0 | 0 | 112.6 | N248 E253 S254 K299 | N248-E250 PolarHBondContact ND2-OE2 2.94Å; N248-E250 WeakPolarHBondContact OD1-CB 3.29Å; N248-E250 PolarHBondContact OD1-N 3.45Å; N248-E250 VanDerWaalsContact OD1-N 3.12Å; E250-E253 PolarHBondContact O-N 3.42Å; E250-S254 WeakPolarHBondContact O-CB 3.33Å; E250-S254 PolarHBondContact O-N 3.11Å; E250-K299 WeakPolarHBondContact OE1-CE 3.18Å; E250-K299 IonicContact OE1-NZ 2.65Å; E250-K299 PolarHBondContact OE1-NZ 3.4Å; E250-K299 IonicContact OE2-NZ 3.78Å; E250-K299 PolarHBondContact OE2-NZ 3.31Å |
| 251 | D | 88.7 | Confident | 83.1 | Confident | 17 Ų | 17 | 71.1 Ų | 71.1 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 175.1 | -65.6 | -33.4 | 0 | 0 | 0 | 111.5 | L247 N248 R249 S254 F295 K299 | L247-D251 HydrophobicContact CB-CB 4.3Å; N248-D251 PolarHBondContact N-OD2 3.39Å; N248-D251 WeakPolarHBondContact OD1-CB 3.45Å; N248-D251 PolarHBondContact OD1-N 2.9Å; N248-D251 PolarHBondContact OD1-OD2 2.98Å; N248-D251 VanDerWaalsContact OD1-OD2 3.11Å; R249-D251 VanDerWaalsContact C-N 3.28Å; R249-D251 PolarHBondContact O-N 2.92Å; D251-S254 PolarHBondContact O-OG 3.13Å; D251-F295 HydrophobicContact CB-CD1 4.05Å; D251-F295 WeakPolarHBondContact O-CD1 3.45Å; D251-F295 WeakPolarHBondContact O-CE1 3.16Å; D251-K299 IonicContact OD1-NZ 3.92Å; D251-K299 PolarHBondContact OD1-NZ 3.26Å |
| 252 | I | 84.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.4 | -45.2 | 176.7 | -61.6 | 170.8 | 0 | 0 | 0 | 110.2 | L247 N248 R249 S254 I255 I261 L264 | L247-I252 HydrophobicContact CB-CG1 4.26Å; L247-I252 HydrophobicContact CD1-CG1 4.19Å; N248-I252 WeakPolarHBondContact O-CG1 3.43Å; R249-I252 WeakPolarHBondContact O-CA 3.28Å; R249-I252 WeakPolarHBondContact O-CB 3.2Å; R249-I252 PolarHBondContact O-N 3.22Å; I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 3.19Å; I252-I255 PolarHBondContact O-N 3.19Å; I252-I255 VanDerWaalsContact O-N 3.09Å; I252-I261 HydrophobicContact CG2-CG1 4.14Å; I252-L264 HydrophobicContact CD1-CD1 4.5Å; I252-L264 HydrophobicContact CG1-CD1 4.04Å; I252-L264 HydrophobicContact CG2-CD1 3.99Å |
| 253 | E | 85.1 | Confident | 81.6 | Confident | 128 Ų | 128 | 73.7 Ų | 73.7 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.7 | -27.9 | 178.9 | -70.6 | 160.9 | -166.6 | 0 | 0 | 112.5 | R249 E250 I255 | R249-E253 WeakPolarHBondContact O-CB 3.49Å; R249-E253 WeakPolarHBondContact O-CG 3.15Å; R249-E253 PolarHBondContact O-N 3.29Å; E250-E253 PolarHBondContact O-N 3.42Å; E253-I255 PolarHBondContact O-N 2.86Å |
| 254 | S | 84.8 | Confident | 81.1 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -31.3 | 171.5 | 81.3 | 0 | 0 | 0 | 0 | 112.5 | E250 D251 I252 R256 | E250-S254 WeakPolarHBondContact O-CB 3.33Å; E250-S254 PolarHBondContact O-N 3.11Å; D251-S254 PolarHBondContact O-OG 3.13Å; I252-S254 VanDerWaalsContact C-N 3.28Å; I252-S254 PolarHBondContact O-N 3.19Å; S254-R256 PolarHBondContact O-N 3.44Å; S254-R256 VanDerWaalsContact O-N 3.17Å |
| 255 | I | 79 | Confident | 80.2 | Confident | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.015 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -89.8 | 81.7 | 174.4 | -55 | -165.8 | 0 | 0 | 0 | 108.7 | P196 E197 L200 C202 I252 E253 S257 S260 F295 | P196-I255 HydrophobicContact CB-CD1 4.27Å; E197-I255 HydrophobicContact CB-CD1 4.19Å; E197-I255 HydrophobicContact CB-CG1 4.43Å; L200-I255 HydrophobicContact CB-CG2 3.98Å; L200-I255 HydrophobicContact CD1-CD1 3.85Å; L200-I255 HydrophobicContact CD1-CG2 4.09Å; C202-I255 HydrophobicContact CB-CG2 4.12Å; I252-I255 PolarHBondContact O-N 3.19Å; I252-I255 VanDerWaalsContact O-N 3.09Å; E253-I255 PolarHBondContact O-N 2.86Å; I255-S257 PolarHBondContact O-N 3.08Å; I255-S260 PolarHBondContact O-OG 2.86Å; I255-F295 HydrophobicContact CD1-CD1 3.96Å; I255-F295 HydrophobicContact CD1-CE1 3.31Å; I255-F295 HydrophobicContact CD1-CE2 4.16Å; I255-F295 HydrophobicContact CD1-CZ 3.44Å; I255-F295 VanDerWaalsContact CD1-CZ 3.44Å; I255-F295 HydrophobicContact CG1-CD1 4.46Å; I255-F295 HydrophobicContact CG1-CE1 3.85Å; I255-F295 HydrophobicContact CG1-CZ 4.38Å |
| 256 | R | 72.8 | Confident | 79.3 | Confident | 186 Ų | 186 | 84 Ų | 84 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | trans | -64.1 | 60.5 | 175.7 | -58.9 | -178.1 | -177.1 | 179.7 | 0.3 | 113 | S254 | S254-R256 PolarHBondContact O-N 3.44Å; S254-R256 VanDerWaalsContact O-N 3.17Å | ||
| 257 | S | 73.4 | Confident | 78.5 | Confident | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | trans | -124.4 | 128.4 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 109.5 | L200 I255 Y259 S260 | L200-S257 WeakPolarHBondContact O-CB 3.14Å; L200-S257 PolarHBondContact O-OG 2.93Å; I255-S257 PolarHBondContact O-N 3.08Å; S257-Y259 PolarHBondContact O-N 2.92Å; S257-Y259 PolarHBondContact OG-N 3.02Å; S257-S260 PolarHBondContact O-N 2.89Å; S257-S260 VanDerWaalsContact O-N 3.14Å; S257-S260 PolarHBondContact O-OG 3.12Å; S257-S260 VanDerWaalsContact O-OG 3.04Å | ||
| 258 | P | 68.6 | Low | 77.4 | Confident | 110 Ų | 110 | 84.4 Ų | 84.4 | 71% | 0.714 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.4 | -179.2 | 28.5 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 259 | Y | 72.2 | Confident | 76.7 | Confident | 149 Ų | 149 | 83.5 Ų | 83.5 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -16.2 | 178.7 | -56.9 | -71.4 | 0 | 0 | 0 | 113.7 | S257 I261 S262 I263 | S257-Y259 PolarHBondContact O-N 2.92Å; S257-Y259 PolarHBondContact OG-N 3.02Å; Y259-I261 PolarHBondContact O-N 3.46Å; Y259-S262 PolarHBondContact O-N 3.35Å; Y259-S262 PolarHBondContact O-OG 2.68Å; Y259-I263 WeakPolarHBondContact O-CG1 3.31Å; Y259-I263 PolarHBondContact O-N 2.9Å |
| 260 | S | 73.3 | Confident | 76.3 | Confident | 5 Ų | 5 | 83.1 Ų | 83.1 | 4% | 0.035 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57 | -58.1 | -167.7 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | I255 S257 S262 I263 L264 | I255-S260 PolarHBondContact O-OG 2.86Å; S257-S260 PolarHBondContact O-N 2.89Å; S257-S260 VanDerWaalsContact O-N 3.14Å; S257-S260 PolarHBondContact O-OG 3.12Å; S257-S260 VanDerWaalsContact O-OG 3.04Å; S260-S262 VanDerWaalsContact C-N 3.31Å; S260-S262 PolarHBondContact O-N 3.17Å; S260-I263 PolarHBondContact O-N 2.75Å; S260-I263 VanDerWaalsContact O-N 3.07Å; S260-L264 VanDerWaalsContact O-CG 3.26Å; S260-L264 WeakPolarHBondContact O-CG 3.21Å; S260-L264 PolarHBondContact O-N 3.5Å |
| 261 | I | 73.6 | Confident | 76 | Confident | 97 Ų | 97 | 84.8 Ų | 84.8 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -49.8 | -51.8 | 178 | -63.4 | 160.3 | 0 | 0 | 0 | 110.7 | I252 Y259 I263 L264 E265 | I252-I261 HydrophobicContact CG2-CG1 4.14Å; Y259-I261 PolarHBondContact O-N 3.46Å; I261-I263 PolarHBondContact O-N 3.23Å; I261-I263 VanDerWaalsContact O-N 3.07Å; I261-L264 PolarHBondContact O-N 3.35Å; I261-E265 HydrophobicContact CG2-CG 4.12Å; I261-E265 WeakPolarHBondContact CG2-OE1 3.49Å; I261-E265 WeakPolarHBondContact O-CB 3.43Å; I261-E265 WeakPolarHBondContact O-CG 3.49Å; I261-E265 PolarHBondContact O-N 3.47Å |
| 262 | S | 74.1 | Confident | 75.9 | Confident | 42 Ų | 42 | 90.3 Ų | 90.3 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -15.9 | -175.7 | 79.3 | 0 | 0 | 0 | 0 | 115.5 | Y259 S260 K266 | Y259-S262 PolarHBondContact O-N 3.35Å; Y259-S262 PolarHBondContact O-OG 2.68Å; S260-S262 VanDerWaalsContact C-N 3.31Å; S260-S262 PolarHBondContact O-N 3.17Å; S262-K266 WeakPolarHBondContact O-CD 3.3Å; S262-K266 VanDerWaalsContact O-CE 3.25Å; S262-K266 WeakPolarHBondContact O-CE 3.48Å; S262-K266 WeakPolarHBondContact O-CG 3.09Å |
| 263 | I | 77.5 | Confident | 76 | Confident | 36 Ų | 36 | 89.9 Ų | 89.9 | 19% | 0.185 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -95.1 | -47.2 | 174.9 | -66.9 | 168.1 | 0 | 0 | 0 | 109.5 | L200 L234 I237 Y259 S260 I261 E265 K266 T267 | L200-I263 HydrophobicContact CD2-CB 4.13Å; L200-I263 HydrophobicContact CD2-CD1 3.93Å; L200-I263 HydrophobicContact CD2-CG2 4Å; L234-I263 HydrophobicContact CD2-CG2 3.8Å; I237-I263 HydrophobicContact CD1-CG2 3.99Å; I237-I263 HydrophobicContact CG2-CG2 4.34Å; Y259-I263 WeakPolarHBondContact O-CG1 3.31Å; Y259-I263 PolarHBondContact O-N 2.9Å; S260-I263 PolarHBondContact O-N 2.75Å; S260-I263 VanDerWaalsContact O-N 3.07Å; I261-I263 PolarHBondContact O-N 3.23Å; I261-I263 VanDerWaalsContact O-N 3.07Å; I263-E265 VanDerWaalsContact C-N 3.31Å; I263-E265 PolarHBondContact O-N 3.3Å; I263-K266 PolarHBondContact O-N 3.08Å; I263-K266 VanDerWaalsContact O-N 3.13Å; I263-T267 PolarHBondContact O-N 2.87Å |
| 264 | L | 79.4 | Confident | 76.2 | Confident | 26 Ų | 26 | 84.1 Ų | 84.1 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | -179.5 | -64 | 174.6 | 0 | 0 | 0 | 112.4 | L200 I237 L241 I252 S260 I261 K266 T267 F295 | L200-L264 HydrophobicContact CD1-CD2 4.45Å; I237-L264 HydrophobicContact CG2-CD2 4.43Å; L241-L264 HydrophobicContact CD1-CD2 3.54Å; L241-L264 HydrophobicContact CD2-CD2 4.04Å; L241-L264 HydrophobicContact CG-CD2 4.38Å; I252-L264 HydrophobicContact CD1-CD1 4.5Å; I252-L264 HydrophobicContact CG1-CD1 4.04Å; I252-L264 HydrophobicContact CG2-CD1 3.99Å; S260-L264 VanDerWaalsContact O-CG 3.26Å; S260-L264 WeakPolarHBondContact O-CG 3.21Å; S260-L264 PolarHBondContact O-N 3.5Å; I261-L264 PolarHBondContact O-N 3.35Å; L264-K266 VanDerWaalsContact C-N 3.34Å; L264-T267 PolarHBondContact O-OG1 3.45Å; L264-F295 HydrophobicContact CD1-CZ 4.18Å; L264-F295 HydrophobicContact CD2-CE2 4.4Å; L264-F295 HydrophobicContact CD2-CZ 4.2Å |
| 265 | E | 73.4 | Confident | 76.4 | Confident | 149 Ų | 149 | 87.4 Ų | 87.4 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -31.2 | 175.5 | -72.4 | 176.2 | 156.4 | 0 | 0 | 113.2 | I261 I263 | I261-E265 HydrophobicContact CG2-CG 4.12Å; I261-E265 WeakPolarHBondContact CG2-OE1 3.49Å; I261-E265 WeakPolarHBondContact O-CB 3.43Å; I261-E265 WeakPolarHBondContact O-CG 3.49Å; I261-E265 PolarHBondContact O-N 3.47Å; I263-E265 VanDerWaalsContact C-N 3.31Å; I263-E265 PolarHBondContact O-N 3.3Å |
| 266 | K | 68.9 | Low | 76.8 | Confident | 157 Ų | 157 | 92.2 Ų | 92.2 | 68% | 0.683 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -15.9 | -176.7 | -67.4 | 177.5 | -169.3 | 160.7 | 0 | 113.4 | S262 I263 L264 H268 | S262-K266 WeakPolarHBondContact O-CD 3.3Å; S262-K266 VanDerWaalsContact O-CE 3.25Å; S262-K266 WeakPolarHBondContact O-CE 3.48Å; S262-K266 WeakPolarHBondContact O-CG 3.09Å; I263-K266 PolarHBondContact O-N 3.08Å; I263-K266 VanDerWaalsContact O-N 3.13Å; L264-K266 VanDerWaalsContact C-N 3.34Å; K266-H268 PolarHBondContact O-N 2.73Å; K266-H268 VanDerWaalsContact O-N 3.11Å |
| 267 | T | 69.1 | Low | 77.5 | Confident | 25 Ų | 25 | 85 Ų | 85 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | trans | -76.6 | 96 | 177.5 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | I237 I263 L264 I269 | I237-T267 HydrophobicContact CG2-CG2 4.4Å; I263-T267 PolarHBondContact O-N 2.87Å; L264-T267 PolarHBondContact O-OG1 3.45Å; T267-I269 VanDerWaalsContact O-CD1 3.25Å; T267-I269 WeakPolarHBondContact O-CD1 3.35Å; T267-I269 VanDerWaalsContact O-CG1 3.29Å; T267-I269 WeakPolarHBondContact O-CG1 3.37Å; T267-I269 PolarHBondContact O-N 2.85Å | ||
| 268 | H | 64.5 | Low | 78.1 | Confident | 191 Ų | 191 | 84.8 Ų | 84.8 | 88% | 0.884 | 40% | 0.403 | S | S | * | . | trans | -68.2 | 107.1 | 163.8 | -70.2 | -69 | 0 | 0 | 0 | 109.9 | K266 | K266-H268 PolarHBondContact O-N 2.73Å; K266-H268 VanDerWaalsContact O-N 3.11Å | ||
| 269 | I | 72.8 | Confident | 78.6 | Confident | 52 Ų | 52 | 86.8 Ų | 86.8 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | trans | -107.3 | 112.6 | -169.4 | -64.9 | 141.8 | 0 | 0 | 0 | 111.1 | L241 A242 T267 R271 | L241-I269 HydrophobicContact CB-CD1 3.53Å; L241-I269 HydrophobicContact CB-CG1 4.01Å; L241-I269 HydrophobicContact CD1-CD1 3.82Å; L241-I269 HydrophobicContact CG-CD1 4.31Å; A242-I269 VanDerWaalsContact CA-CG2 3.46Å; A242-I269 HydrophobicContact CB-CG2 3.8Å; T267-I269 VanDerWaalsContact O-CD1 3.25Å; T267-I269 WeakPolarHBondContact O-CD1 3.35Å; T267-I269 VanDerWaalsContact O-CG1 3.29Å; T267-I269 WeakPolarHBondContact O-CG1 3.37Å; T267-I269 PolarHBondContact O-N 2.85Å; I269-R271 HydrophobicContact CG2-CG 3.98Å; I269-R271 PolarHBondContact O-N 3.32Å | ||
| 270 | K | 76.9 | Confident | 78.8 | Confident | 196 Ų | 196 | 88 Ų | 88 | 85% | 0.852 | 42% | 0.417 | S | S | * | . | trans | -76.1 | 99.9 | 160.2 | -177 | 173.5 | -178.8 | 173.9 | 0 | 108.3 | A242 | A242-K270 WeakPolarHBondContact CB-O 3.42Š| ||
| 271 | R | 83 | Confident | 79.2 | Confident | 129 Ų | 129 | 89.5 Ų | 89.5 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | trans | -62.2 | 142.8 | 179.9 | -74.4 | -166.5 | 173.3 | 95.6 | 10.9 | 112.1 | I269 | I269-R271 HydrophobicContact CG2-CG 3.98Å; I269-R271 PolarHBondContact O-N 3.32Å | ||
| 272 | R | 86.1 | Confident | 79.9 | Confident | 133 Ų | 133 | 89.1 Ų | 89.1 | 50% | 0.502 | 42% | 0.424 | S | S | . | . | trans | -146.3 | 84.7 | 166.7 | -178.1 | -174.3 | 175.2 | -176.6 | -3.7 | 106.3 | A242 G243 Q276 I277 | A242-R272 CarbonylContact O-C 3.41Å; A242-R272 PolarHBondContact O-N 2.82Å; G243-R272 WeakPolarHBondContact CA-O 3.22Å; R272-Q276 HydrophobicContact CG-CB 4.11Å; R272-Q276 PolarHBondContact NE-O 2.73Å; R272-Q276 PolarHBondContact NH2-O 3.04Å; R272-I277 HydrophobicContact CG-CG1 3.99Å | ||
| 273 | P | 88.5 | Confident | 80.8 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | trans | -50.6 | 154 | -175.8 | -30.1 | 36.1 | 0 | 0 | 0 | 113.5 | G243 D275 Q276 I277 | G243-P273 WeakPolarHBondContact O-CA 3.27Å; P273-D275 PolarHBondContact O-N 2.78Å; P273-D275 VanDerWaalsContact O-N 3.13Å; P273-Q276 WeakPolarHBondContact O-CA 3.38Å; P273-Q276 WeakPolarHBondContact O-CB 3.08Å; P273-Q276 PolarHBondContact O-N 3.15Å; P273-I277 PolarHBondContact O-N 3.37Å | ||
| 274 | L | 89.2 | Confident | 81.6 | Confident | 7 Ų | 7 | 96.4 Ų | 96.4 | 4% | 0.037 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -52.4 | -39.2 | -173.8 | -165 | 54.4 | 0 | 0 | 0 | 113 | L227 G243 Q276 I277 L278 M286 L289 I293 | L227-L274 HydrophobicContact CD1-CD1 3.91Å; L227-L274 HydrophobicContact CD2-CD1 4.21Å; G243-L274 PolarHBondContact O-N 2.96Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 3.48Å; L274-I277 WeakPolarHBondContact O-CB 3.29Å; L274-I277 PolarHBondContact O-N 2.86Å; L274-L278 HydrophobicContact CD1-CD1 3.6Å; L274-L278 HydrophobicContact CG-CD1 3.84Å; L274-L278 PolarHBondContact O-N 3.14Å; L274-M286 HydrophobicContact CG-CE 4.27Å; L274-L289 HydrophobicContact CD1-CD2 4.2Å; L274-L289 HydrophobicContact CD2-CD2 3.81Å; L274-L289 HydrophobicContact CD2-CG 4.01Å; L274-L289 HydrophobicContact CG-CD2 4.09Å; L274-I293 HydrophobicContact CD2-CB 4.28Å; L274-I293 HydrophobicContact CD2-CG2 4.18Å |
| 275 | D | 87.9 | Confident | 82.4 | Confident | 92 Ų | 92 | 95.2 Ų | 95.2 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -27.5 | 175.9 | -38.3 | -68.4 | 0 | 0 | 0 | 113.6 | P273 L278 M286 | P273-D275 PolarHBondContact O-N 2.78Å; P273-D275 VanDerWaalsContact O-N 3.13Å; D275-L278 CarbonylContact O-C 3.22Å; D275-M286 HydrophobicContact CB-CE 4.42Å; D275-M286 VanDerWaalsContact OD1-CE 3.28Å; D275-M286 WeakPolarHBondContact OD1-CE 3.34Å |
| 276 | Q | 87.4 | Confident | 83.5 | Confident | 103 Ų | 103 | 88.9 Ų | 88.9 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -86 | -11.4 | 175.1 | -56.8 | -174.8 | -0.4 | 0 | 0 | 113.2 | R272 P273 L274 | R272-Q276 HydrophobicContact CG-CB 4.11Å; R272-Q276 PolarHBondContact NE-O 2.73Å; R272-Q276 PolarHBondContact NH2-O 3.04Å; P273-Q276 WeakPolarHBondContact O-CA 3.38Å; P273-Q276 WeakPolarHBondContact O-CB 3.08Å; P273-Q276 PolarHBondContact O-N 3.15Å; L274-Q276 VanDerWaalsContact C-N 3.27Å; L274-Q276 PolarHBondContact O-N 3.48Å |
| 277 | I | 87.4 | Confident | 84.8 | Confident | 34 Ų | 34 | 85.1 Ų | 85.1 | 17% | 0.174 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -84.7 | -50.9 | 167.2 | -57.3 | 174.8 | 0 | 0 | 0 | 108.1 | I223 L227 R272 P273 L274 K279 | I223-I277 HydrophobicContact CD1-CG2 4.06Å; L227-I277 HydrophobicContact CD1-CG2 4.12Å; R272-I277 HydrophobicContact CG-CG1 3.99Å; P273-I277 PolarHBondContact O-N 3.37Å; L274-I277 WeakPolarHBondContact O-CB 3.29Å; L274-I277 PolarHBondContact O-N 2.86Å; I277-K279 PolarHBondContact O-N 3.05Å |
| 278 | L | 87.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 83.9 Ų | 83.9 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -94 | 50.1 | -174.2 | -74.8 | 149 | 0 | 0 | 0 | 113.1 | L222 I223 L227 L274 D275 T281 M286 L289 | L222-L278 HydrophobicContact CB-CD2 3.42Å; L222-L278 VanDerWaalsContact CB-CD2 3.42Å; L222-L278 HydrophobicContact CD1-CD2 3.83Å; L222-L278 HydrophobicContact CG-CD2 4.26Å; I223-L278 HydrophobicContact CG2-CD2 3.46Å; I223-L278 VanDerWaalsContact CG2-CD2 3.46Å; I223-L278 HydrophobicContact CG2-CG 3.99Å; L227-L278 HydrophobicContact CD1-CD1 4.37Å; L274-L278 HydrophobicContact CD1-CD1 3.6Å; L274-L278 HydrophobicContact CG-CD1 3.84Å; L274-L278 PolarHBondContact O-N 3.14Å; D275-L278 CarbonylContact O-C 3.22Å; L278-T281 WeakPolarHBondContact O-CB 3.29Å; L278-T281 PolarHBondContact O-N 2.66Å; L278-T281 PolarHBondContact O-OG1 3.27Å; L278-M286 HydrophobicContact CB-CE 4.07Å; L278-M286 HydrophobicContact CB-SD 3.65Å; L278-M286 HydrophobicContact CD1-CE 4.18Å; L278-M286 HydrophobicContact CD1-SD 4.01Å; L278-M286 HydrophobicContact CG-SD 4.38Å; L278-L289 HydrophobicContact CD1-CD2 3.21Å |
| 279 | K | 78.7 | Confident | 87.7 | Confident | 152 Ų | 152 | 74.8 Ų | 74.8 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 147.1 | 175.8 | -63.5 | -172 | 177.3 | -172.2 | 0 | 111.2 | I277 T281 | I277-K279 PolarHBondContact O-N 3.05Å; K279-T281 PolarHBondContact O-N 3.48Å |
| 280 | N | 75.4 | Confident | 88.8 | Confident | 176 Ų | 176 | 75.5 Ų | 75.5 | 94% | 0.941 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 13.3 | 179.9 | -50.7 | -3.8 | 0 | 0 | 0 | 115.1 | ||
| 281 | T | 82.8 | Confident | 89.7 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | trans | -81.9 | 142.6 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | L222 L278 K279 V285 M286 | L222-T281 HydrophobicContact CD1-CG2 4.14Å; L222-T281 HydrophobicContact CD2-CG2 4.28Å; L278-T281 WeakPolarHBondContact O-CB 3.29Å; L278-T281 PolarHBondContact O-N 2.66Å; L278-T281 PolarHBondContact O-OG1 3.27Å; K279-T281 PolarHBondContact O-N 3.48Å; T281-V285 HydrophobicContact CG2-CG1 3.22Å; T281-M286 HydrophobicContact CG2-CG 3.76Å; T281-M286 HydrophobicContact CG2-SD 3.59Å; T281-M286 VanDerWaalsContact CG2-SD 3.59Å | ||
| 282 | N | 87.6 | Confident | 90.5 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | trans | -61.8 | 134.2 | 178.2 | -176.5 | -12.8 | 0 | 0 | 0 | 111.4 | T284 V285 M286 | N282-T284 PolarHBondContact O-N 2.87Å; N282-T284 VanDerWaalsContact O-N 3.1Å; N282-T284 PolarHBondContact OD1-N 3.2Å; N282-T284 VanDerWaalsContact OD1-N 3.07Å; N282-T284 PolarHBondContact OD1-OG1 2.87Å; N282-V285 HydrophobicContact CB-CG1 4.35Å; N282-V285 WeakPolarHBondContact O-CG1 3.46Å; N282-V285 PolarHBondContact O-N 2.73Å; N282-M286 PolarHBondContact O-N 3.17Å; N282-M286 VanDerWaalsContact O-N 3.08Å | ||
| 283 | K | 93 | Very high | 91 | Very high | 184 Ų | 184 | 57 Ų | 57 | 80% | 0.8 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -46.9 | -41.2 | 175.2 | -64.7 | -176.7 | -179.5 | 180 | 0 | 112.3 | V285 M286 D287 | K283-V285 VanDerWaalsContact C-N 3.32Å; K283-V285 PolarHBondContact O-N 3.25Å; K283-M286 PolarHBondContact O-N 3.4Å; K283-D287 WeakPolarHBondContact O-CB 3.24Å; K283-D287 PolarHBondContact O-N 2.71Å |
| 284 | T | 95.3 | Very high | 91.3 | Very high | 48 Ų | 48 | 57 Ų | 57 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.2 | -28.9 | -177.2 | -42.6 | 0 | 0 | 0 | 0 | 114 | N282 H309 P310 | N282-T284 PolarHBondContact O-N 2.87Å; N282-T284 VanDerWaalsContact O-N 3.1Å; N282-T284 PolarHBondContact OD1-N 3.2Å; N282-T284 VanDerWaalsContact OD1-N 3.07Å; N282-T284 PolarHBondContact OD1-OG1 2.87Å; T284-H309 PolarHBondContact O-CE1 3.48Å; T284-P310 HydrophobicContact CG2-CB 3.77Å |
| 285 | V | 95.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -93.6 | -26.8 | 175.5 | 73 | 0 | 0 | 0 | 0 | 112.2 | L218 L222 T281 N282 K283 D287 L289 Y311 | L218-V285 HydrophobicContact CD1-CG2 3.86Å; L218-V285 HydrophobicContact CD2-CG2 3.84Å; L218-V285 HydrophobicContact CG-CG2 4.16Å; L222-V285 HydrophobicContact CD1-CG1 4.18Å; L222-V285 HydrophobicContact CD1-CG2 4.04Å; L222-V285 HydrophobicContact CD2-CG1 4.24Å; T281-V285 HydrophobicContact CG2-CG1 3.22Å; N282-V285 HydrophobicContact CB-CG1 4.35Å; N282-V285 WeakPolarHBondContact O-CG1 3.46Å; N282-V285 PolarHBondContact O-N 2.73Å; K283-V285 VanDerWaalsContact C-N 3.32Å; K283-V285 PolarHBondContact O-N 3.25Å; V285-D287 VanDerWaalsContact C-N 3.33Å; V285-L289 VanDerWaalsContact O-CB 3.27Å; V285-L289 WeakPolarHBondContact O-CB 3.42Å; V285-L289 PolarHBondContact O-N 3.23Å; V285-Y311 HydrophobicContact CB-CD1 4.18Å; V285-Y311 HydrophobicContact CB-CD2 3.61Å; V285-Y311 HydrophobicContact CB-CE1 4.15Å; V285-Y311 HydrophobicContact CB-CE2 3.59Å; V285-Y311 HydrophobicContact CB-CG 3.91Å; V285-Y311 HydrophobicContact CG1-CE2 4.29Å; V285-Y311 HydrophobicContact CG2-CD1 3.66Å; V285-Y311 HydrophobicContact CG2-CD2 3.99Å; V285-Y311 HydrophobicContact CG2-CE1 3.41Å; V285-Y311 VanDerWaalsContact CG2-CE1 3.41Å; V285-Y311 HydrophobicContact CG2-CE2 3.76Å; V285-Y311 HydrophobicContact CG2-CG 3.94Å; V285-Y311 VanDerWaalsContact CG2-CZ 3.46Å |
| 286 | M | 95.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 168.4 | -69.1 | -55.1 | -61.7 | 0 | 0 | 112 | L274 D275 L278 T281 N282 K283 L289 N290 | L274-M286 HydrophobicContact CG-CE 4.27Å; D275-M286 HydrophobicContact CB-CE 4.42Å; D275-M286 VanDerWaalsContact OD1-CE 3.28Å; D275-M286 WeakPolarHBondContact OD1-CE 3.34Å; L278-M286 HydrophobicContact CB-CE 4.07Å; L278-M286 HydrophobicContact CB-SD 3.65Å; L278-M286 HydrophobicContact CD1-CE 4.18Å; L278-M286 HydrophobicContact CD1-SD 4.01Å; L278-M286 HydrophobicContact CG-SD 4.38Å; T281-M286 HydrophobicContact CG2-CG 3.76Å; T281-M286 HydrophobicContact CG2-SD 3.59Å; T281-M286 VanDerWaalsContact CG2-SD 3.59Å; N282-M286 PolarHBondContact O-N 3.17Å; N282-M286 VanDerWaalsContact O-N 3.08Å; K283-M286 PolarHBondContact O-N 3.4Å; M286-L289 PolarHBondContact O-N 3.09Å; M286-N290 WeakPolarHBondContact O-CB 3.35Å; M286-N290 VanDerWaalsContact O-CG 3.32Å; M286-N290 PolarHBondContact O-N 3.31Å; M286-N290 PolarHBondContact O-ND2 2.81Å; M286-N290 VanDerWaalsContact O-ND2 3.08Å |
| 287 | D | 96.4 | Very high | 92 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -55.2 | 173.3 | -176.8 | 26.8 | 0 | 0 | 0 | 111.5 | K283 V285 L289 N290 Q291 H309 | K283-D287 WeakPolarHBondContact O-CB 3.24Å; K283-D287 PolarHBondContact O-N 2.71Å; V285-D287 VanDerWaalsContact C-N 3.33Å; D287-L289 VanDerWaalsContact C-N 3.28Å; D287-L289 PolarHBondContact O-N 2.74Å; D287-N290 PolarHBondContact O-N 3.15Å; D287-Q291 WeakPolarHBondContact O-CG 3.47Å; D287-Q291 PolarHBondContact O-N 2.99Å; D287-Q291 PolarHBondContact OD1-NE2 3.5Å; D287-Q291 PolarHBondContact OD2-NE2 3.49Å; D287-H309 IonicContact OD2-CE1 2.8Å; D287-H309 IonicContact OD2-NE2 2.72Å; D287-H309 PolarHBondContact OD2-NE2 2.84Å |
| 288 | L | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.5 | -47.2 | 174.1 | 179.4 | 56.6 | 0 | 0 | 0 | 111.7 | F122 L218 Q291 M292 H309 Y311 | F122-L288 HydrophobicContact CE2-CD2 4.09Å; F122-L288 HydrophobicContact CZ-CD1 4.15Å; F122-L288 HydrophobicContact CZ-CD2 4.08Å; L218-L288 HydrophobicContact CD2-CD2 3.93Å; L218-L288 HydrophobicContact CD2-CG 4.19Å; L288-Q291 PolarHBondContact O-N 2.8Å; L288-M292 HydrophobicContact CD1-CG 4.23Å; L288-M292 HydrophobicContact CD1-SD 3.74Å; L288-M292 HydrophobicContact CD2-SD 4.46Å; L288-M292 HydrophobicContact CG-SD 3.75Å; L288-M292 VanDerWaalsContact O-CG 3.23Å; L288-M292 WeakPolarHBondContact O-CG 3.33Å; L288-M292 PolarHBondContact O-N 2.82Å; L288-M292 VanDerWaalsContact O-N 3.08Å; L288-H309 HydrophobicContact CD1-CB 4.12Å; L288-Y311 HydrophobicContact CD2-CD1 3.72Å; L288-Y311 HydrophobicContact CD2-CG 4.36Å |
| 289 | L | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -39.1 | -176.6 | -171.2 | 70.2 | 0 | 0 | 0 | 112.1 | G215 L218 L274 L278 V285 M286 D287 Q291 M292 I293 | G215-L289 WeakPolarHBondContact O-CD1 3.29Å; L218-L289 HydrophobicContact CB-CD1 4.18Å; L218-L289 HydrophobicContact CD2-CB 4.5Å; L218-L289 HydrophobicContact CD2-CD1 4.18Å; L218-L289 HydrophobicContact CG-CD1 4.2Å; L274-L289 HydrophobicContact CD1-CD2 4.2Å; L274-L289 HydrophobicContact CD2-CD2 3.81Å; L274-L289 HydrophobicContact CD2-CG 4.01Å; L274-L289 HydrophobicContact CG-CD2 4.09Å; L278-L289 HydrophobicContact CD1-CD2 3.21Å; V285-L289 VanDerWaalsContact O-CB 3.27Å; V285-L289 WeakPolarHBondContact O-CB 3.42Å; V285-L289 PolarHBondContact O-N 3.23Å; M286-L289 PolarHBondContact O-N 3.09Å; D287-L289 VanDerWaalsContact C-N 3.28Å; D287-L289 PolarHBondContact O-N 2.74Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; L289-M292 PolarHBondContact O-N 3.16Å; L289-M292 VanDerWaalsContact O-N 3.14Å; L289-I293 HydrophobicContact CD1-CG1 3.8Å; L289-I293 HydrophobicContact CG-CG1 4.11Å; L289-I293 WeakPolarHBondContact O-CB 3.5Å; L289-I293 PolarHBondContact O-N 3.38Å |
| 290 | N | 95.5 | Very high | 93.5 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 174.1 | -77.9 | -40.6 | 0 | 0 | 0 | 111.9 | M286 D287 M292 | M286-N290 WeakPolarHBondContact O-CB 3.35Å; M286-N290 VanDerWaalsContact O-CG 3.32Å; M286-N290 PolarHBondContact O-N 3.31Å; M286-N290 PolarHBondContact O-ND2 2.81Å; M286-N290 VanDerWaalsContact O-ND2 3.08Å; D287-N290 PolarHBondContact O-N 3.15Å; N290-M292 VanDerWaalsContact C-N 3.26Å; N290-M292 PolarHBondContact O-N 3.02Å |
| 291 | Q | 97.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.9 | -17.8 | 173 | -67.1 | 177.2 | 48.2 | 0 | 0 | 113.3 | D287 L288 L289 R300 I301 H309 | D287-Q291 WeakPolarHBondContact O-CG 3.47Å; D287-Q291 PolarHBondContact O-N 2.99Å; D287-Q291 PolarHBondContact OD1-NE2 3.5Å; D287-Q291 PolarHBondContact OD2-NE2 3.49Å; L288-Q291 PolarHBondContact O-N 2.8Å; L289-Q291 VanDerWaalsContact C-N 3.32Å; Q291-R300 CarbonylContact O-C 3.23Å; Q291-R300 VanDerWaalsContact O-CA 3.29Å; Q291-R300 WeakPolarHBondContact O-CA 3.32Å; Q291-I301 HydrophobicContact CB-CB 4.13Å; Q291-I301 HydrophobicContact CB-CG2 4.01Å; Q291-I301 PolarHBondContact O-N 2.98Å; Q291-H309 PolarHBondContact NE2-NE2 3.39Å |
| 292 | M | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -98.7 | -41.8 | 177.8 | -66.5 | 172.9 | 72 | 0 | 0 | 113.2 | M118 F122 I211 L214 G215 L218 L288 L289 N290 N294 R300 I301 | M118-M292 HydrophobicContact CE-CE 4.12Å; F122-M292 HydrophobicContact CE1-CE 3.6Å; F122-M292 HydrophobicContact CE1-SD 4Å; F122-M292 HydrophobicContact CZ-CE 3.9Å; F122-M292 HydrophobicContact CZ-SD 3.76Å; I211-M292 HydrophobicContact CG2-CB 3.96Å; I211-M292 HydrophobicContact CG2-CE 4.22Å; I211-M292 HydrophobicContact CG2-CG 3.8Å; I211-M292 WeakPolarHBondContact O-CE 3.32Å; L214-M292 HydrophobicContact CB-CE 3.42Å; L214-M292 VanDerWaalsContact CB-CE 3.42Å; G215-M292 VanDerWaalsContact N-CE 3.32Å; L218-M292 HydrophobicContact CD2-SD 4.43Å; L288-M292 HydrophobicContact CD1-CG 4.23Å; L288-M292 HydrophobicContact CD1-SD 3.74Å; L288-M292 HydrophobicContact CD2-SD 4.46Å; L288-M292 HydrophobicContact CG-SD 3.75Å; L288-M292 VanDerWaalsContact O-CG 3.23Å; L288-M292 WeakPolarHBondContact O-CG 3.33Å; L288-M292 PolarHBondContact O-N 2.82Å; L288-M292 VanDerWaalsContact O-N 3.08Å; L289-M292 PolarHBondContact O-N 3.16Å; L289-M292 VanDerWaalsContact O-N 3.14Å; N290-M292 VanDerWaalsContact C-N 3.26Å; N290-M292 PolarHBondContact O-N 3.02Å; M292-N294 PolarHBondContact O-N 3.07Å; M292-N294 VanDerWaalsContact O-N 3.1Å; M292-R300 WeakPolarHBondContact O-CD 3.37Å; M292-R300 WeakPolarHBondContact O-CG 3.45Å; M292-I301 HydrophobicContact CG-CG2 3.6Å |
| 293 | I | 97.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -88.4 | 57 | -179.3 | -60.7 | -60.8 | 0 | 0 | 0 | 109.3 | W212 F228 L244 L274 L289 | W212-I293 HydrophobicContact CD2-CD1 4.09Å; W212-I293 HydrophobicContact CE3-CD1 4.17Å; W212-I293 HydrophobicContact CH2-CD1 4.49Å; W212-I293 HydrophobicContact CH2-CG2 3.78Å; W212-I293 HydrophobicContact CZ2-CD1 4.42Å; W212-I293 HydrophobicContact CZ2-CG2 4.5Å; W212-I293 HydrophobicContact CZ3-CB 4.36Å; W212-I293 HydrophobicContact CZ3-CD1 4.38Å; W212-I293 HydrophobicContact CZ3-CG2 3.86Å; F228-I293 HydrophobicContact CE2-CD1 4.5Å; F228-I293 HydrophobicContact CE2-CG2 4.08Å; F228-I293 HydrophobicContact CZ-CG2 4.06Å; L244-I293 HydrophobicContact CD2-CG2 4.02Å; L244-I293 WeakPolarHBondContact CD2-O 3.46Å; L274-I293 HydrophobicContact CD2-CB 4.28Å; L274-I293 HydrophobicContact CD2-CG2 4.18Å; L289-I293 HydrophobicContact CD1-CG1 3.8Å; L289-I293 HydrophobicContact CG-CG1 4.11Å; L289-I293 WeakPolarHBondContact O-CB 3.5Å; L289-I293 PolarHBondContact O-N 3.38Å |
| 294 | N | 94.9 | Very high | 96 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | trans | -98.9 | 139.9 | 172.3 | -159 | -55.1 | 0 | 0 | 0 | 110.8 | W212 M292 N296 K299 R300 | W212-N294 WeakPolarHBondContact CZ3-O 3.43Å; M292-N294 PolarHBondContact O-N 3.07Å; M292-N294 VanDerWaalsContact O-N 3.1Å; N294-N296 PolarHBondContact OD1-N 2.73Å; N294-N296 VanDerWaalsContact OD1-N 3.14Å; N294-K299 HydrophobicContact CB-CB 4.35Å; N294-K299 WeakPolarHBondContact ND2-CB 3.49Å; N294-R300 HydrophobicContact CB-CG 3.84Å; N294-R300 PolarHBondContact O-NE 3.13Å; N294-R300 PolarHBondContact O-NH2 3.46Å; N294-R300 VanDerWaalsContact O-NH2 3.13Å | ||
| 295 | F | 93.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -62.4 | -50.2 | 177.5 | -171.6 | -97.5 | 0 | 0 | 0 | 111.5 | P196 L200 L241 L244 L247 D251 I255 L264 R300 | P196-F295 HydrophobicContact CB-CD2 3.95Å; P196-F295 HydrophobicContact CB-CE2 3.81Å; P196-F295 HydrophobicContact CG-CD2 4.03Å; P196-F295 HydrophobicContact CG-CE2 4.37Å; L200-F295 HydrophobicContact CD1-CE2 4.43Å; L200-F295 HydrophobicContact CD1-CZ 3.99Å; L241-F295 HydrophobicContact CD2-CD2 4.19Å; L241-F295 HydrophobicContact CD2-CE2 3.88Å; L244-F295 HydrophobicContact CD1-CB 4.07Å; L244-F295 HydrophobicContact CD1-CD2 3.96Å; L247-F295 HydrophobicContact CD1-CD1 3.84Å; L247-F295 HydrophobicContact CD1-CD2 3.82Å; L247-F295 HydrophobicContact CD1-CE1 3.68Å; L247-F295 HydrophobicContact CD1-CE2 3.68Å; L247-F295 HydrophobicContact CD1-CG 3.89Å; L247-F295 HydrophobicContact CD1-CZ 3.58Å; L247-F295 HydrophobicContact CD2-CB 3.5Å; L247-F295 HydrophobicContact CD2-CD1 3.97Å; L247-F295 HydrophobicContact CD2-CD2 3.89Å; L247-F295 HydrophobicContact CD2-CG 3.52Å; L247-F295 HydrophobicContact CG-CG 4.37Å; D251-F295 HydrophobicContact CB-CD1 4.05Å; D251-F295 WeakPolarHBondContact O-CD1 3.45Å; D251-F295 WeakPolarHBondContact O-CE1 3.16Å; I255-F295 HydrophobicContact CD1-CD1 3.96Å; I255-F295 HydrophobicContact CD1-CE1 3.31Å; I255-F295 HydrophobicContact CD1-CE2 4.16Å; I255-F295 HydrophobicContact CD1-CZ 3.44Å; I255-F295 VanDerWaalsContact CD1-CZ 3.44Å; I255-F295 HydrophobicContact CG1-CD1 4.46Å; I255-F295 HydrophobicContact CG1-CE1 3.85Å; I255-F295 HydrophobicContact CG1-CZ 4.38Å; L264-F295 HydrophobicContact CD1-CZ 4.18Å; L264-F295 HydrophobicContact CD2-CE2 4.4Å; L264-F295 HydrophobicContact CD2-CZ 4.2Å; F295-R300 PolarHBondContact O-NH2 3.26Å |
| 296 | N | 92.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73.3 | 119.5 | 179.3 | -179.6 | -26 | 0 | 0 | 0 | 109.4 | N294 H298 K299 | N294-N296 PolarHBondContact OD1-N 2.73Å; N294-N296 VanDerWaalsContact OD1-N 3.14Å; N296-H298 PolarHBondContact O-N 2.87Å; N296-H298 VanDerWaalsContact O-N 3.14Å; N296-H298 WeakPolarHBondContact OD1-CB 3.41Å; N296-H298 PolarHBondContact OD1-N 3.32Å; N296-K299 HydrophobicContact CB-CB 4.22Å; N296-K299 HydrophobicContact CB-CD 3.94Å; N296-K299 HydrophobicContact CB-CG 4Å; N296-K299 PolarHBondContact O-N 3.02Å |
| 297 | P | 93.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -11.7 | -174.7 | 29.1 | -35.9 | 0 | 0 | 0 | 114.1 | E197 | E197-P297 HydrophobicContact CG-CB 4.49Å; E197-P297 HydrophobicContact CG-CG 4.45Å |
| 298 | H | 92.6 | Very high | 96.4 | Very high | 141 Ų | 141 | 36.4 Ų | 36.4 | 65% | 0.653 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.8 | 174.3 | -58.8 | -87 | 0 | 0 | 0 | 113.2 | N296 | N296-H298 PolarHBondContact O-N 2.87Å; N296-H298 VanDerWaalsContact O-N 3.14Å; N296-H298 WeakPolarHBondContact OD1-CB 3.41Å; N296-H298 PolarHBondContact OD1-N 3.32Å |
| 299 | K | 95.5 | Very high | 96.4 | Very high | 74 Ų | 74 | 37 Ų | 37 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -96 | 12.8 | 175.8 | -63.5 | -177.7 | -176.9 | 168.8 | 0 | 113.1 | E250 D251 N294 N296 | E250-K299 WeakPolarHBondContact OE1-CE 3.18Å; E250-K299 IonicContact OE1-NZ 2.65Å; E250-K299 PolarHBondContact OE1-NZ 3.4Å; E250-K299 IonicContact OE2-NZ 3.78Å; E250-K299 PolarHBondContact OE2-NZ 3.31Å; D251-K299 IonicContact OD1-NZ 3.92Å; D251-K299 PolarHBondContact OD1-NZ 3.26Å; N294-K299 HydrophobicContact CB-CB 4.35Å; N294-K299 WeakPolarHBondContact ND2-CB 3.49Å; N296-K299 HydrophobicContact CB-CB 4.22Å; N296-K299 HydrophobicContact CB-CD 3.94Å; N296-K299 HydrophobicContact CB-CG 4Å; N296-K299 PolarHBondContact O-N 3.02Å |
| 300 | R | 97.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -93.8 | 138 | 176.1 | -61.5 | -179.7 | -164.9 | 142.3 | 15.1 | 109.9 | E197 G208 I211 Q291 M292 N294 F295 | E197-R300 IonicContact OE1-CZ 3.02Å; E197-R300 IonicContact OE1-NH1 3.51Å; E197-R300 PolarHBondContact OE1-NH1 3.1Å; E197-R300 IonicContact OE1-NH2 2.73Å; E197-R300 IonicContact OE2-CZ 3.88Å; E197-R300 IonicContact OE2-NH1 3.21Å; E197-R300 PolarHBondContact OE2-NH1 2.93Å; E197-R300 IonicContact OE2-NH2 2.72Å; E197-R300 PolarHBondContact OE2-NH2 2.88Å; G208-R300 VanDerWaalsContact C-NH1 3.26Å; G208-R300 WeakPolarHBondContact O-CD 3.48Å; G208-R300 PolarHBondContact O-NH1 3.27Å; I211-R300 HydrophobicContact CB-CB 4.5Å; I211-R300 HydrophobicContact CG2-CB 4.14Å; Q291-R300 CarbonylContact O-C 3.23Å; Q291-R300 VanDerWaalsContact O-CA 3.29Å; Q291-R300 WeakPolarHBondContact O-CA 3.32Å; M292-R300 WeakPolarHBondContact O-CD 3.37Å; M292-R300 WeakPolarHBondContact O-CG 3.45Å; N294-R300 HydrophobicContact CB-CG 3.84Å; N294-R300 PolarHBondContact O-NE 3.13Å; N294-R300 PolarHBondContact O-NH2 3.46Å; N294-R300 VanDerWaalsContact O-NH2 3.13Å; F295-R300 PolarHBondContact O-NH2 3.26Å |
| 301 | I | 98.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 134 | 173.5 | -171.6 | 171.2 | 0 | 0 | 0 | 111 | I211 Q291 M292 N305 A306 | I211-I301 WeakPolarHBondContact CG1-O 3.38Å; I211-I301 HydrophobicContact CG2-CG2 4.3Å; I211-I301 VanDerWaalsContact CG2-O 3.27Å; I211-I301 WeakPolarHBondContact CG2-O 3.45Å; Q291-I301 HydrophobicContact CB-CB 4.13Å; Q291-I301 HydrophobicContact CB-CG2 4.01Å; Q291-I301 PolarHBondContact O-N 2.98Å; M292-I301 HydrophobicContact CG-CG2 3.6Å; I301-N305 HydrophobicContact CD1-CB 4.28Å; I301-N305 HydrophobicContact CG1-CB 4.04Å; I301-A306 HydrophobicContact CD1-CB 4.1Å; I301-A306 HydrophobicContact CG1-CB 4.26Å; I301-A306 HydrophobicContact CG2-CB 4.38Å |
| 302 | D | 97.8 | Very high | 96.6 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -75.8 | 160.2 | 173.5 | 68 | 86.9 | 0 | 0 | 0 | 111.8 | L304 N305 A306 | D302-L304 VanDerWaalsContact C-N 3.27Å; D302-L304 PolarHBondContact O-N 3.44Å; D302-L304 WeakPolarHBondContact OD1-CA 3.29Å; D302-L304 WeakPolarHBondContact OD1-CB 3.3Å; D302-L304 PolarHBondContact OD1-N 3.13Å; D302-N305 PolarHBondContact O-N 2.92Å; D302-N305 PolarHBondContact OD1-N 2.92Å; D302-N305 WeakPolarHBondContact OD2-CB 3.39Å; D302-N305 PolarHBondContact OD2-ND2 3.39Å; D302-A306 WeakPolarHBondContact O-CB 3.3Å; D302-A306 PolarHBondContact O-N 3.18Å |
| 303 | A | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -27.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I125 A126 I211 L307 | I125-A303 HydrophobicContact CB-CB 4.22Å; I125-A303 HydrophobicContact CG2-CB 3.91Å; A126-A303 HydrophobicContact CB-CB 3.94Å; I211-A303 HydrophobicContact CD1-CB 4.12Å; A303-L307 WeakPolarHBondContact O-CG 3.33Å; A303-L307 PolarHBondContact O-N 3.44Å; A303-L307 VanDerWaalsContact O-N 3.13Å |
| 304 | L | 96.3 | Very high | 96.4 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 42% | 0.419 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -78.1 | -32.8 | -179.4 | -178.6 | 62.1 | 0 | 0 | 0 | 111.9 | D302 L307 K308 I321 | D302-L304 VanDerWaalsContact C-N 3.27Å; D302-L304 PolarHBondContact O-N 3.44Å; D302-L304 WeakPolarHBondContact OD1-CA 3.29Å; D302-L304 WeakPolarHBondContact OD1-CB 3.3Å; D302-L304 PolarHBondContact OD1-N 3.13Å; L304-L307 HydrophobicContact CD1-CD1 4.36Å; L304-K308 VanDerWaalsContact O-CE 3.3Å; L304-K308 WeakPolarHBondContact O-CE 3.28Å; L304-I321 HydrophobicContact CD1-CG2 4.01Å |
| 305 | N | 97.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -81.3 | -30.7 | 170.9 | -70.5 | -39.7 | 0 | 0 | 0 | 112.2 | I301 D302 L307 K308 H309 | I301-N305 HydrophobicContact CD1-CB 4.28Å; I301-N305 HydrophobicContact CG1-CB 4.04Å; D302-N305 PolarHBondContact O-N 2.92Å; D302-N305 PolarHBondContact OD1-N 2.92Å; D302-N305 WeakPolarHBondContact OD2-CB 3.39Å; D302-N305 PolarHBondContact OD2-ND2 3.39Å; N305-L307 VanDerWaalsContact C-N 3.3Å; N305-L307 PolarHBondContact O-N 3.42Å; N305-K308 WeakPolarHBondContact O-CB 3.32Å; N305-K308 PolarHBondContact O-N 3.18Å; N305-K308 PolarHBondContact OD1-NZ 3.06Å; N305-H309 PolarHBondContact O-N 3.36Å |
| 306 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F122 I301 D302 K308 H309 V312 | F122-A306 HydrophobicContact CD1-CB 3.68Å; F122-A306 HydrophobicContact CD2-CB 4.01Å; F122-A306 HydrophobicContact CE1-CB 3.71Å; F122-A306 HydrophobicContact CE2-CB 4.04Å; F122-A306 HydrophobicContact CG-CB 3.86Å; F122-A306 HydrophobicContact CZ-CB 3.89Å; I301-A306 HydrophobicContact CD1-CB 4.1Å; I301-A306 HydrophobicContact CG1-CB 4.26Å; I301-A306 HydrophobicContact CG2-CB 4.38Å; D302-A306 WeakPolarHBondContact O-CB 3.3Å; D302-A306 PolarHBondContact O-N 3.18Å; A306-K308 PolarHBondContact O-N 2.6Å; A306-H309 WeakPolarHBondContact O-CB 3.3Å; A306-H309 PolarHBondContact O-N 2.97Å; A306-H309 VanDerWaalsContact O-N 3.11Å; A306-V312 WeakPolarHBondContact O-CG2 3.26Å |
| 307 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.8 | 170.9 | -82.4 | 168.4 | 0 | 0 | 0 | 113.9 | Y119 F122 K123 A126 A303 L304 N305 F316 I321 | Y119-L307 HydrophobicContact CD2-CD2 3.58Å; Y119-L307 HydrophobicContact CE2-CD2 3.54Å; F122-L307 HydrophobicContact CB-CD2 3.85Å; F122-L307 HydrophobicContact CB-CG 3.8Å; K123-L307 HydrophobicContact CB-CD2 4.17Å; A126-L307 HydrophobicContact CB-CD1 4.11Å; A303-L307 WeakPolarHBondContact O-CG 3.33Å; A303-L307 PolarHBondContact O-N 3.44Å; A303-L307 VanDerWaalsContact O-N 3.13Å; L304-L307 HydrophobicContact CD1-CD1 4.36Å; N305-L307 VanDerWaalsContact C-N 3.3Å; N305-L307 PolarHBondContact O-N 3.42Å; L307-F316 HydrophobicContact CB-CD2 3.82Å; L307-F316 HydrophobicContact CB-CE2 3.88Å; L307-I321 HydrophobicContact CD1-CD1 3.84Å; L307-I321 HydrophobicContact CD1-CG1 4.44Å; L307-I321 HydrophobicContact CD1-CG2 4.22Å; L307-I321 HydrophobicContact CD2-CD1 4.39Å |
| 308 | K | 97.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.2 | -179.5 | -55.6 | 167.1 | -163.7 | 162.9 | 0 | 112.6 | L304 N305 A306 F316 | L304-K308 VanDerWaalsContact O-CE 3.3Å; L304-K308 WeakPolarHBondContact O-CE 3.28Å; N305-K308 WeakPolarHBondContact O-CB 3.32Å; N305-K308 PolarHBondContact O-N 3.18Å; N305-K308 PolarHBondContact OD1-NZ 3.06Å; A306-K308 PolarHBondContact O-N 2.6Å; K308-F316 HydrophobicContact CG-CE1 4.15Å; K308-F316 HydrophobicContact CG-CE2 4.28Å; K308-F316 HydrophobicContact CG-CZ 3.97Å |
| 309 | H | 98.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -64.9 | 137.2 | -171.7 | -165.5 | -86.9 | 0 | 0 | 0 | 111.6 | T284 D287 L288 Q291 N305 A306 Y311 V312 R313 | T284-H309 PolarHBondContact O-CE1 3.48Å; D287-H309 IonicContact OD2-CE1 2.8Å; D287-H309 IonicContact OD2-NE2 2.72Å; D287-H309 PolarHBondContact OD2-NE2 2.84Å; L288-H309 HydrophobicContact CD1-CB 4.12Å; Q291-H309 PolarHBondContact NE2-NE2 3.39Å; N305-H309 PolarHBondContact O-N 3.36Å; A306-H309 WeakPolarHBondContact O-CB 3.3Å; A306-H309 PolarHBondContact O-N 2.97Å; A306-H309 VanDerWaalsContact O-N 3.11Å; H309-Y311 PolarHBondContact O-N 3.14Å; H309-V312 HydrophobicContact CB-CG2 4.43Å; H309-V312 PolarHBondContact O-N 2.93Å; H309-R313 WeakPolarHBondContact O-CB 3.43Å; H309-R313 PolarHBondContact O-N 3.34Å |
| 310 | P | 97.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -26.9 | -173.5 | -31.2 | 36.5 | 0 | 0 | 0 | 116.5 | T284 V312 | T284-P310 HydrophobicContact CG2-CB 3.77Å; P310-V312 VanDerWaalsContact C-N 3.33Å; P310-V312 PolarHBondContact O-N 2.68Å |
| 311 | Y | 97.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.6 | 175 | -175.8 | -117.9 | 0 | 0 | 0 | 113.9 | D111 Q115 L218 V285 L288 H309 | D111-Y311 PolarHBondContact OD1-OH 3.14Å; Q115-Y311 HydrophobicContact CB-CE1 4.39Å; Q115-Y311 VanDerWaalsContact CD-O 3.22Å; Q115-Y311 HydrophobicContact CG-CD1 4.11Å; Q115-Y311 HydrophobicContact CG-CD2 3.74Å; Q115-Y311 HydrophobicContact CG-CE1 3.71Å; Q115-Y311 HydrophobicContact CG-CE2 3.3Å; Q115-Y311 HydrophobicContact CG-CG 4.14Å; Q115-Y311 VanDerWaalsContact CG-O 3.27Å; Q115-Y311 WeakPolarHBondContact CG-O 3.36Å; Q115-Y311 PolarHBondContact OE1-O 3.47Å; L218-Y311 HydrophobicContact CD1-CE1 4.13Å; V285-Y311 HydrophobicContact CB-CD1 4.18Å; V285-Y311 HydrophobicContact CB-CD2 3.61Å; V285-Y311 HydrophobicContact CB-CE1 4.15Å; V285-Y311 HydrophobicContact CB-CE2 3.59Å; V285-Y311 HydrophobicContact CB-CG 3.91Å; V285-Y311 HydrophobicContact CG1-CE2 4.29Å; V285-Y311 HydrophobicContact CG2-CD1 3.66Å; V285-Y311 HydrophobicContact CG2-CD2 3.99Å; V285-Y311 HydrophobicContact CG2-CE1 3.41Å; V285-Y311 VanDerWaalsContact CG2-CE1 3.41Å; V285-Y311 HydrophobicContact CG2-CE2 3.76Å; V285-Y311 HydrophobicContact CG2-CG 3.94Å; V285-Y311 VanDerWaalsContact CG2-CZ 3.46Å; L288-Y311 HydrophobicContact CD2-CD1 3.72Å; L288-Y311 HydrophobicContact CD2-CG 4.36Å; H309-Y311 PolarHBondContact O-N 3.14Å |
| 312 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -14.1 | -178.8 | -62.1 | 0 | 0 | 0 | 0 | 113.8 | M118 F122 A306 H309 P310 K314 F315 | M118-V312 HydrophobicContact CB-CG1 4.03Å; F122-V312 HydrophobicContact CD2-CG1 4.48Å; F122-V312 HydrophobicContact CD2-CG2 4.24Å; F122-V312 HydrophobicContact CE2-CG1 4.2Å; F122-V312 HydrophobicContact CE2-CG2 4.34Å; A306-V312 WeakPolarHBondContact O-CG2 3.26Å; H309-V312 HydrophobicContact CB-CG2 4.43Å; H309-V312 PolarHBondContact O-N 2.93Å; P310-V312 VanDerWaalsContact C-N 3.33Å; P310-V312 PolarHBondContact O-N 2.68Å; V312-K314 PolarHBondContact O-N 2.96Å; V312-F315 PolarHBondContact O-N 3.13Å |
| 313 | R | 95.6 | Very high | 95.9 | Very high | 169 Ų | 169 | 62.9 Ų | 62.9 | 64% | 0.638 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -49.2 | -29 | -173.8 | -179 | 174.2 | 171.4 | 176.2 | -2.3 | 115 | H309 F315 F316 | H309-R313 WeakPolarHBondContact O-CB 3.43Å; H309-R313 PolarHBondContact O-N 3.34Å; R313-F315 PolarHBondContact O-N 2.74Å; R313-F316 VanDerWaalsContact O-CB 3.31Å; R313-F316 WeakPolarHBondContact O-CB 3.47Å; R313-F316 PolarHBondContact O-N 2.82Å |
| 314 | K | 96.2 | Very high | 95.6 | Very high | 125 Ų | 125 | 64.6 Ų | 64.6 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -64.3 | -16 | 178.2 | 77.7 | -171.1 | -166.6 | -166.9 | 0 | 114.6 | V312 | V312-K314 PolarHBondContact O-N 2.96Š|
| 315 | F | 96.6 | Very high | 95.3 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -101.1 | -5.4 | 173.8 | -57 | -67.5 | 0 | 0 | 0 | 113 | I112 Q115 Y116 Y119 V312 R313 N317 | I112-F315 HydrophobicContact CD1-CE1 4.33Å; I112-F315 HydrophobicContact CD1-CZ 3.67Å; Q115-F315 HydrophobicContact CB-CE2 3.77Å; Y116-F315 AromaticContact CD2-CD1 3.87Å; Y116-F315 HydrophobicContact CD2-CD1 3.87Å; Y116-F315 HydrophobicContact CD2-CD2 4.36Å; Y116-F315 AromaticContact CD2-CE1 3.75Å; Y116-F315 HydrophobicContact CD2-CE1 3.75Å; Y116-F315 HydrophobicContact CD2-CE2 4.26Å; Y116-F315 HydrophobicContact CD2-CG 4.16Å; Y116-F315 AromaticContact CD2-CZ 3.94Å; Y116-F315 HydrophobicContact CD2-CZ 3.94Å; Y116-F315 HydrophobicContact CE2-CD1 4.41Å; Y116-F315 HydrophobicContact CG-CE1 4.32Å; Y116-F315 HydrophobicContact CG-CZ 4.16Å; Y119-F315 HydrophobicContact CD1-CB 3.56Å; Y119-F315 HydrophobicContact CD1-CG 4.26Å; Y119-F315 HydrophobicContact CD2-CB 3.91Å; Y119-F315 HydrophobicContact CE1-CB 3.83Å; Y119-F315 HydrophobicContact CE2-CB 4.18Å; Y119-F315 WeakPolarHBondContact CE2-O 3.45Å; Y119-F315 HydrophobicContact CG-CB 3.6Å; Y119-F315 HydrophobicContact CG-CD2 4.39Å; Y119-F315 HydrophobicContact CG-CG 4.33Å; Y119-F315 PolarHBondContact OH-O 3.31Å; Y119-F315 VanDerWaalsContact OH-O 3.07Å; V312-F315 PolarHBondContact O-N 3.13Å; R313-F315 PolarHBondContact O-N 2.74Å; F315-N317 PolarHBondContact O-N 2.79Å; F315-N317 VanDerWaalsContact O-N 3.16Å |
| 316 | F | 96.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 25% | 0.254 | 34% | 0.343 | S | S | . | . | trans | -75.8 | 106.5 | -169 | 178.1 | -109 | 0 | 0 | 0 | 112 | L307 K308 R313 P318 I321 | L307-F316 HydrophobicContact CB-CD2 3.82Å; L307-F316 HydrophobicContact CB-CE2 3.88Å; K308-F316 HydrophobicContact CG-CE1 4.15Å; K308-F316 HydrophobicContact CG-CE2 4.28Å; K308-F316 HydrophobicContact CG-CZ 3.97Å; R313-F316 VanDerWaalsContact O-CB 3.31Å; R313-F316 WeakPolarHBondContact O-CB 3.47Å; R313-F316 PolarHBondContact O-N 2.82Å; F316-P318 HydrophobicContact CD1-CG 4.44Å; F316-P318 HydrophobicContact CE1-CG 3.82Å; F316-P318 HydrophobicContact CZ-CG 4.22Å; F316-I321 HydrophobicContact CD2-CD1 4.48Å; F316-I321 HydrophobicContact CE2-CD1 4.21Å; F316-I321 HydrophobicContact CE2-CG1 3.94Å | ||
| 317 | N | 94.4 | Very high | 94.5 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | trans | -109.4 | 112.1 | 171.6 | -176.4 | 2 | 0 | 0 | 0 | 109.9 | F315 E319 E320 I321 | F315-N317 PolarHBondContact O-N 2.79Å; F315-N317 VanDerWaalsContact O-N 3.16Å; N317-E319 VanDerWaalsContact C-N 3.31Å; N317-E319 PolarHBondContact O-N 3.44Å; N317-E319 PolarHBondContact OD1-N 3.03Å; N317-E320 HydrophobicContact CB-CB 4.34Å; N317-E320 HydrophobicContact CB-CG 4.16Å; N317-E320 WeakPolarHBondContact CB-OE1 3.37Å; N317-E320 PolarHBondContact ND2-OE1 3.08Å; N317-E320 PolarHBondContact O-N 3.47Å; N317-I321 WeakPolarHBondContact O-CG1 3.46Å | ||
| 318 | P | 92.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 71 Ų | 71 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -55.6 | -40.4 | 179.8 | -26.4 | 34.7 | 0 | 0 | 0 | 114.2 | F316 E320 I321 | F316-P318 HydrophobicContact CD1-CG 4.44Å; F316-P318 HydrophobicContact CE1-CG 3.82Å; F316-P318 HydrophobicContact CZ-CG 4.22Å; P318-E320 PolarHBondContact O-N 3.29Å; P318-I321 WeakPolarHBondContact O-CB 3.45Å; P318-I321 PolarHBondContact O-N 2.99Å |
| 319 | E | 93 | Very high | 93.6 | Very high | 174 Ų | 174 | 70.5 Ų | 70.5 | 81% | 0.813 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -66.7 | -19.3 | -175.1 | -56.4 | -51.8 | 127.1 | 0 | 0 | 112.9 | N317 | N317-E319 VanDerWaalsContact C-N 3.31Å; N317-E319 PolarHBondContact O-N 3.44Å; N317-E319 PolarHBondContact OD1-N 3.03Å |
| 320 | E | 91.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 70.6 Ų | 70.6 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -87.4 | -7.1 | 175.7 | -74.6 | 175.3 | -134.2 | 0 | 0 | 114 | K123 N317 P318 M322 | K123-E320 WeakPolarHBondContact CE-O 3.43Å; K123-E320 IonicContact NZ-OE2 2.73Å; K123-E320 PolarHBondContact NZ-OE2 3.03Å; N317-E320 HydrophobicContact CB-CB 4.34Å; N317-E320 HydrophobicContact CB-CG 4.16Å; N317-E320 WeakPolarHBondContact CB-OE1 3.37Å; N317-E320 PolarHBondContact ND2-OE1 3.08Å; N317-E320 PolarHBondContact O-N 3.47Å; P318-E320 PolarHBondContact O-N 3.29Å; E320-M322 PolarHBondContact O-N 3.42Å |
| 321 | I | 92.6 | Very high | 92 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | trans | -83.6 | 84.8 | -171.9 | -52.9 | -50.1 | 0 | 0 | 0 | 110.7 | K123 L304 L307 F316 N317 P318 | K123-I321 HydrophobicContact CG-CD1 4.22Å; L304-I321 HydrophobicContact CD1-CG2 4.01Å; L307-I321 HydrophobicContact CD1-CD1 3.84Å; L307-I321 HydrophobicContact CD1-CG1 4.44Å; L307-I321 HydrophobicContact CD1-CG2 4.22Å; L307-I321 HydrophobicContact CD2-CD1 4.39Å; F316-I321 HydrophobicContact CD2-CD1 4.48Å; F316-I321 HydrophobicContact CE2-CD1 4.21Å; F316-I321 HydrophobicContact CE2-CG1 3.94Å; N317-I321 WeakPolarHBondContact O-CG1 3.46Å; P318-I321 WeakPolarHBondContact O-CB 3.45Å; P318-I321 PolarHBondContact O-N 2.99Å | ||
| 322 | M | 94.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | trans | -59.4 | 139.5 | 174.6 | -55.7 | -177.1 | 76.2 | 0 | 0 | 111.6 | N69 H70 Y127 E320 | N69-M322 WeakPolarHBondContact ND2-CE 3.15Å; N69-M322 WeakPolarHBondContact O-CE 3.26Å; H70-M322 HydrophobicContact CB-SD 4.39Å; H70-M322 VanDerWaalsContact CD2-SD 3.6Å; Y127-M322 HydrophobicContact CD2-CB 3.7Å; Y127-M322 WeakPolarHBondContact CD2-O 3.35Å; Y127-M322 HydrophobicContact CE2-CB 3.76Å; Y127-M322 HydrophobicContact CG-CB 4.4Å; E320-M322 PolarHBondContact O-N 3.42Å | ||
| 323 | S | 94 | Very high | 90.1 | Very high | 85 Ų | 85 | 73.2 Ų | 73.2 | 59% | 0.594 | 38% | 0.38 | S | S | * | . | trans | -131.2 | 154.3 | 169.9 | -72.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 324 | K | 92.5 | Very high | 88.9 | Confident | 37 Ų | 37 | 66.3 Ų | 66.3 | 16% | 0.161 | 36% | 0.356 | C | S | . | . | trans | -84.8 | 132.5 | 169.8 | -72.2 | -60 | -166.2 | -169.1 | 0 | 110 | A66 F67 N69 Y127 S130 H326 V328 | A66-K324 WeakPolarHBondContact O-CE 3.4Å; A66-K324 PolarHBondContact O-NZ 3.2Å; F67-K324 VanDerWaalsContact CD1-CE 3.5Å; F67-K324 HydrophobicContact CE1-CD 4.39Å; F67-K324 HydrophobicContact CE1-CG 3.92Å; N69-K324 PolarHBondContact OD1-NZ 3.47Å; Y127-K324 HydrophobicContact CD2-CG 4.4Å; Y127-K324 HydrophobicContact CE1-CD 4.47Å; Y127-K324 HydrophobicContact CE2-CD 3.86Å; Y127-K324 HydrophobicContact CE2-CG 3.96Å; Y127-K324 VanDerWaalsContact CZ-CE 3.47Å; Y127-K324 VanDerWaalsContact OH-CE 3.27Å; Y127-K324 WeakPolarHBondContact OH-CE 3.4Å; Y127-K324 PolarHBondContact OH-NZ 3.3Å; S130-K324 PolarHBondContact OG-N 3.21Å; K324-H326 PolarHBondContact O-N 3Å; K324-V328 HydrophobicContact CD-CG2 4.47Å; K324-V328 HydrophobicContact CG-CG2 4.3Å | ||
| 325 | S | 89.3 | Confident | 87.6 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 86% | 0.86 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -76.5 | -6.5 | 172.6 | 53 | 0 | 0 | 0 | 0 | 114 | ||
| 326 | H | 89.1 | Confident | 86.5 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -148.9 | 151.4 | 179.7 | 68.1 | 82.5 | 0 | 0 | 0 | 111.3 | K324 | K324-H326 PolarHBondContact O-N 3Š|
| 327 | N | 90.2 | Very high | 85.5 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | trans | -60.7 | 140.8 | 170.9 | -37.4 | 75.3 | 0 | 0 | 0 | 109.9 | G131 E132 K163 | G131-N327 CarbonylContact O-C 3.5Å; G131-N327 WeakPolarHBondContact O-CA 3.2Å; E132-N327 HydrophobicContact CB-CB 4.21Å; E132-N327 HydrophobicContact CG-CB 4.42Å; E132-N327 WeakPolarHBondContact CG-ND2 3.25Å; K163-N327 HydrophobicContact CD-CB 3.75Å; K163-N327 PolarHBondContact NZ-OD1 3.14Å | ||
| 328 | V | 90.5 | Very high | 85 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -99.3 | 116.9 | 177 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | F63 A66 F67 G131 V133 S161 K324 | F63-V328 HydrophobicContact CD1-CG1 4.04Å; F63-V328 HydrophobicContact CE1-CG1 4.11Å; A66-V328 HydrophobicContact CB-CG1 3.75Å; F67-V328 HydrophobicContact CE1-CG2 4.06Å; F67-V328 HydrophobicContact CE2-CB 4.18Å; F67-V328 HydrophobicContact CE2-CG1 3.93Å; F67-V328 HydrophobicContact CE2-CG2 4.3Å; F67-V328 HydrophobicContact CZ-CB 3.84Å; F67-V328 HydrophobicContact CZ-CG1 4.09Å; F67-V328 HydrophobicContact CZ-CG2 3.66Å; G131-V328 PolarHBondContact O-N 3.25Å; V133-V328 HydrophobicContact CG2-CB 3.85Å; V133-V328 HydrophobicContact CG2-CG1 4.27Å; V133-V328 WeakPolarHBondContact CG2-O 3.17Å; S161-V328 WeakPolarHBondContact CB-O 3.38Å; S161-V328 PolarHBondContact OG-O 3.09Å; K324-V328 HydrophobicContact CD-CG2 4.47Å; K324-V328 HydrophobicContact CG-CG2 4.3Å | ||
| 329 | V | 85.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | trans | -120.4 | 132.4 | 174.8 | -174 | 0 | 0 | 0 | 0 | 107.1 | K163 | K163-V329 HydrophobicContact CB-CG2 4.25Å; K163-V329 HydrophobicContact CD-CG2 4.3Å | ||
| 330 | P | 81.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | trans | -61.4 | 151 | 175.5 | 24.8 | -32.6 | 0 | 0 | 0 | 110.7 | A62 F63 L332 | A62-P330 HydrophobicContact CB-CB 4.41Å; F63-P330 HydrophobicContact CZ-CG 4.23Å; P330-L332 WeakPolarHBondContact CG-O 3.45Å; P330-L332 PolarHBondContact O-N 2.84Å | ||
| 331 | P | 81.2 | Confident | 84.6 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -62.7 | -7.8 | -178.7 | -24.9 | 34.7 | 0 | 0 | 0 | 115.6 | F58 M350 W451 | F58-P331 HydrophobicContact CZ-CB 4.39Å; P331-M350 HydrophobicContact CG-SD 4.17Å; P331-W451 HydrophobicContact CB-CZ2 4.31Å; P331-W451 HydrophobicContact CG-CZ2 4.3Å |
| 332 | L | 78.9 | Confident | 84.5 | Confident | 24 Ų | 24 | 61 Ų | 61 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -125.6 | 131 | 175.9 | -56.8 | 177.8 | 0 | 0 | 0 | 107.8 | F58 P330 D334 L338 Y343 | F58-L332 HydrophobicContact CD1-CD1 3.8Å; F58-L332 HydrophobicContact CD1-CG 4.31Å; F58-L332 HydrophobicContact CD2-CD1 3.89Å; F58-L332 HydrophobicContact CE1-CB 4.06Å; F58-L332 HydrophobicContact CE1-CD1 3.54Å; F58-L332 HydrophobicContact CE1-CG 3.63Å; F58-L332 HydrophobicContact CE2-CD1 3.64Å; F58-L332 HydrophobicContact CE2-CG 4.26Å; F58-L332 HydrophobicContact CG-CD1 4Å; F58-L332 HydrophobicContact CZ-CD1 3.47Å; F58-L332 VanDerWaalsContact CZ-CD1 3.47Å; F58-L332 HydrophobicContact CZ-CG 3.61Å; P330-L332 WeakPolarHBondContact CG-O 3.45Å; P330-L332 PolarHBondContact O-N 2.84Å; L332-D334 PolarHBondContact O-N 3.23Å; L332-L338 HydrophobicContact CD1-CD1 3.77Å; L332-L338 HydrophobicContact CD2-CD1 4.03Å; L332-L338 HydrophobicContact CG-CD1 4.43Å; L332-Y343 HydrophobicContact CD1-CD1 3.86Å; L332-Y343 HydrophobicContact CD1-CE1 3.87Å |
| 333 | D | 74.6 | Confident | 84.4 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | trans | -66.2 | 128.8 | 173.2 | -177.4 | -2.3 | 0 | 0 | 0 | 109.9 | N335 I336 | D333-N335 PolarHBondContact O-N 3.23Å; D333-N335 VanDerWaalsContact O-N 3.15Å; D333-N335 PolarHBondContact OD1-N 3.48Å; D333-N335 PolarHBondContact OD1-ND2 2.91Å; D333-N335 PolarHBondContact OD2-ND2 3.15Å; D333-I336 HydrophobicContact CB-CD1 3.97Å; D333-I336 HydrophobicContact CB-CG1 4.02Å; D333-I336 PolarHBondContact O-N 3.49Å | ||
| 334 | D | 71.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.7 | 177.2 | -84.2 | -50.1 | 0 | 0 | 0 | 113.4 | Q55 R59 R160 L332 | Q55-D334 PolarHBondContact NE2-O 3.17Å; R59-D334 WeakPolarHBondContact CD-OD1 3.3Å; R59-D334 IonicContact CZ-OD1 3.82Å; R59-D334 IonicContact NE-OD1 3.27Å; R59-D334 IonicContact NH1-OD1 2.64Å; R59-D334 PolarHBondContact NH1-OD1 3.14Å; R160-D334 WeakPolarHBondContact CD-OD2 3.5Å; R160-D334 IonicContact CZ-OD1 3.12Å; R160-D334 IonicContact CZ-OD2 2.82Å; R160-D334 IonicContact NE-OD1 2.63Å; R160-D334 IonicContact NE-OD2 2.79Å; R160-D334 PolarHBondContact NE-OD2 3.13Å; R160-D334 VanDerWaalsContact NE-OD2 3.09Å; R160-D334 IonicContact NH2-OD1 3.61Å; L332-D334 PolarHBondContact O-N 3.23Å |
| 335 | N | 69 | Low | 84.1 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -19 | 175.4 | -56.7 | -65.3 | 0 | 0 | 0 | 113 | D333 Q337 | D333-N335 PolarHBondContact O-N 3.23Å; D333-N335 VanDerWaalsContact O-N 3.15Å; D333-N335 PolarHBondContact OD1-N 3.48Å; D333-N335 PolarHBondContact OD1-ND2 2.91Å; D333-N335 PolarHBondContact OD2-ND2 3.15Å; N335-Q337 PolarHBondContact O-N 2.98Å |
| 336 | I | 72.9 | Confident | 84.1 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | trans | -89.2 | 109.4 | -178.6 | -60.3 | 176.4 | 0 | 0 | 0 | 110.1 | D333 L338 Y343 | D333-I336 HydrophobicContact CB-CD1 3.97Å; D333-I336 HydrophobicContact CB-CG1 4.02Å; D333-I336 PolarHBondContact O-N 3.49Å; I336-L338 HydrophobicContact CG2-CD2 3.57Å; I336-L338 HydrophobicContact CG2-CG 4.04Å; I336-L338 PolarHBondContact O-N 3.07Å; I336-Y343 PolarHBondContact O-OH 3.48Å | ||
| 337 | Q | 76 | Confident | 84.2 | Confident | 128 Ų | 128 | 52.2 Ų | 52.2 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | trans | -82.5 | 76 | 178.2 | -69.5 | -169.5 | 16.2 | 0 | 0 | 112.1 | Q51 N335 | Q51-Q337 VanDerWaalsContact NE2-C 3.34Å; Q51-Q337 PolarHBondContact NE2-O 2.96Å; N335-Q337 PolarHBondContact O-N 2.98Å | ||
| 338 | L | 83.7 | Confident | 84.1 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | trans | -64.5 | 159.2 | 172.4 | -56 | 179.6 | 0 | 0 | 0 | 112.9 | Q51 L332 I336 E342 Y343 | Q51-L338 WeakPolarHBondContact CG-O 3.45Å; Q51-L338 PolarHBondContact NE2-O 3.28Å; L332-L338 HydrophobicContact CD1-CD1 3.77Å; L332-L338 HydrophobicContact CD2-CD1 4.03Å; L332-L338 HydrophobicContact CG-CD1 4.43Å; I336-L338 HydrophobicContact CG2-CD2 3.57Å; I336-L338 HydrophobicContact CG2-CG 4.04Å; I336-L338 PolarHBondContact O-N 3.07Å; L338-E342 HydrophobicContact CB-CB 4.09Å; L338-E342 HydrophobicContact CD1-CB 4.42Å; L338-Y343 HydrophobicContact CB-CD2 4.02Å; L338-Y343 HydrophobicContact CB-CE1 4.45Å; L338-Y343 HydrophobicContact CB-CE2 3.73Å; L338-Y343 HydrophobicContact CB-CG 4.5Å; L338-Y343 HydrophobicContact CD1-CD1 4.42Å; L338-Y343 HydrophobicContact CD1-CE1 4.22Å; L338-Y343 VanDerWaalsContact O-CE2 3.23Å; L338-Y343 WeakPolarHBondContact O-CE2 3.22Å | ||
| 339 | T | 89.7 | Confident | 84.1 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | trans | -66.3 | 157.7 | 172.1 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | T341 E342 Y343 | T339-T341 PolarHBondContact O-N 2.8Å; T339-E342 WeakPolarHBondContact CB-OE2 3.4Å; T339-E342 WeakPolarHBondContact CG2-OE2 3.37Å; T339-E342 PolarHBondContact N-OE2 3.39Å; T339-E342 PolarHBondContact O-N 3.07Å; T339-E342 VanDerWaalsContact O-N 3.16Å; T339-E342 VanDerWaalsContact OG1-CG 3.25Å; T339-E342 WeakPolarHBondContact OG1-CG 3.38Å; T339-E342 PolarHBondContact OG1-N 2.65Å; T339-E342 PolarHBondContact OG1-OE2 3.03Å; T339-Y343 WeakPolarHBondContact O-CD2 3.43Å; T339-Y343 PolarHBondContact O-N 2.78Å | ||
| 340 | V | 89.1 | Confident | 84 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.4 | -43.7 | 173.5 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | F48 N50 E342 Y343 R344 | F48-V340 HydrophobicContact CB-CG1 3.83Å; F48-V340 WeakPolarHBondContact O-CG1 3.16Å; N50-V340 VanDerWaalsContact C-CG2 3.47Å; V340-E342 PolarHBondContact O-N 3.43Å; V340-Y343 PolarHBondContact O-N 3.24Å; V340-R344 WeakPolarHBondContact O-CB 3.19Å; V340-R344 PolarHBondContact O-N 3.04Å |
| 341 | T | 89.6 | Confident | 84.2 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | T339 R344 N345 | T339-T341 PolarHBondContact O-N 2.8Å; T341-R344 PolarHBondContact O-N 3.25Å; T341-N345 VanDerWaalsContact O-CB 3.3Å; T341-N345 WeakPolarHBondContact O-CB 3.41Å; T341-N345 PolarHBondContact O-N 3.27Å; T341-N345 PolarHBondContact O-OD1 3.24Å |
| 342 | E | 91.1 | Very high | 84.3 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176 | -73.5 | 170.8 | 91.4 | 0 | 0 | 112.8 | L338 T339 V340 R344 N345 R346 | L338-E342 HydrophobicContact CB-CB 4.09Å; L338-E342 HydrophobicContact CD1-CB 4.42Å; T339-E342 WeakPolarHBondContact CB-OE2 3.4Å; T339-E342 WeakPolarHBondContact CG2-OE2 3.37Å; T339-E342 PolarHBondContact N-OE2 3.39Å; T339-E342 PolarHBondContact O-N 3.07Å; T339-E342 VanDerWaalsContact O-N 3.16Å; T339-E342 VanDerWaalsContact OG1-CG 3.25Å; T339-E342 WeakPolarHBondContact OG1-CG 3.38Å; T339-E342 PolarHBondContact OG1-N 2.65Å; T339-E342 PolarHBondContact OG1-OE2 3.03Å; V340-E342 PolarHBondContact O-N 3.43Å; E342-R344 VanDerWaalsContact C-N 3.28Å; E342-R344 PolarHBondContact O-N 3.5Å; E342-N345 PolarHBondContact O-N 2.85Å; E342-R346 WeakPolarHBondContact O-CB 3.34Å; E342-R346 VanDerWaalsContact O-CG 3.28Å; E342-R346 WeakPolarHBondContact O-CG 3.46Å; E342-R346 PolarHBondContact O-N 2.78Å; E342-R346 IonicContact OE1-CZ 3.78Å; E342-R346 IonicContact OE1-NH2 2.78Å; E342-R346 PolarHBondContact OE1-NH2 3.03Å |
| 343 | Y | 91.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56 | -45.8 | 175.2 | -82.7 | -63.3 | 0 | 0 | 0 | 111.3 | Q51 A54 Q55 F58 L332 I336 L338 T339 V340 L347 | Q51-Y343 HydrophobicContact CG-CE2 4.16Å; A54-Y343 HydrophobicContact CB-CD2 4.06Å; A54-Y343 HydrophobicContact CB-CG 4.16Å; Q55-Y343 HydrophobicContact CB-CE1 3.91Å; Q55-Y343 HydrophobicContact CB-CE2 4.02Å; Q55-Y343 HydrophobicContact CG-CE1 3.8Å; Q55-Y343 WeakPolarHBondContact CG-OH 3.45Å; Q55-Y343 PolarHBondContact NE2-OH 2.96Å; Q55-Y343 VanDerWaalsContact NE2-OH 3.09Å; F58-Y343 HydrophobicContact CB-CD1 4.08Å; F58-Y343 HydrophobicContact CG-CD1 4.29Å; L332-Y343 HydrophobicContact CD1-CD1 3.86Å; L332-Y343 HydrophobicContact CD1-CE1 3.87Å; I336-Y343 PolarHBondContact O-OH 3.48Å; L338-Y343 HydrophobicContact CB-CD2 4.02Å; L338-Y343 HydrophobicContact CB-CE1 4.45Å; L338-Y343 HydrophobicContact CB-CE2 3.73Å; L338-Y343 HydrophobicContact CB-CG 4.5Å; L338-Y343 HydrophobicContact CD1-CD1 4.42Å; L338-Y343 HydrophobicContact CD1-CE1 4.22Å; L338-Y343 VanDerWaalsContact O-CE2 3.23Å; L338-Y343 WeakPolarHBondContact O-CE2 3.22Å; T339-Y343 WeakPolarHBondContact O-CD2 3.43Å; T339-Y343 PolarHBondContact O-N 2.78Å; V340-Y343 PolarHBondContact O-N 3.24Å; Y343-L347 VanDerWaalsContact O-CB 3.23Å; Y343-L347 WeakPolarHBondContact O-CB 3.21Å; Y343-L347 PolarHBondContact O-N 3.04Å |
| 344 | R | 90.5 | Very high | 84.4 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 177.2 | -171.9 | 178.3 | 67.2 | 166 | 11.2 | 112.4 | F48 D85 V340 T341 E342 L347 Y348 | F48-R344 HydrophobicContact CD1-CB 3.68Å; F48-R344 HydrophobicContact CD1-CG 3.97Å; F48-R344 HydrophobicContact CD2-CG 3.95Å; F48-R344 HydrophobicContact CE1-CB 3.79Å; F48-R344 HydrophobicContact CE1-CG 3.93Å; F48-R344 HydrophobicContact CE2-CG 3.92Å; F48-R344 HydrophobicContact CG-CB 4.09Å; F48-R344 HydrophobicContact CG-CG 4Å; F48-R344 HydrophobicContact CZ-CB 4.29Å; F48-R344 HydrophobicContact CZ-CG 3.91Å; D85-R344 PolarHBondContact O-NH1 3.37Å; D85-R344 IonicContact OD1-CZ 2.87Å; D85-R344 IonicContact OD1-NH1 3.86Å; D85-R344 IonicContact OD2-CZ 2.7Å; D85-R344 IonicContact OD2-NH1 2.85Å; D85-R344 PolarHBondContact OD2-NH1 3.18Å; D85-R344 IonicContact OD2-NH2 3.32Å; D85-R344 PolarHBondContact OD2-NH2 2.81Å; V340-R344 WeakPolarHBondContact O-CB 3.19Å; V340-R344 PolarHBondContact O-N 3.04Å; T341-R344 PolarHBondContact O-N 3.25Å; E342-R344 VanDerWaalsContact C-N 3.28Å; E342-R344 PolarHBondContact O-N 3.5Å; R344-L347 WeakPolarHBondContact O-CB 2.89Å; R344-L347 PolarHBondContact O-N 3.17Å; R344-Y348 HydrophobicContact CG-CD2 4.06Å; R344-Y348 HydrophobicContact CG-CE2 3.43Å; R344-Y348 VanDerWaalsContact CG-CE2 3.43Å; R344-Y348 WeakPolarHBondContact O-CD2 3.37Å; R344-Y348 PolarHBondContact O-N 2.97Å; R344-Y348 VanDerWaalsContact O-N 3.08Å |
| 345 | N | 90.7 | Very high | 84.6 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | -178.7 | -70 | 0.2 | 0 | 0 | 0 | 111.6 | T341 E342 L347 Y348 Q349 | T341-N345 VanDerWaalsContact O-CB 3.3Å; T341-N345 WeakPolarHBondContact O-CB 3.41Å; T341-N345 PolarHBondContact O-N 3.27Å; T341-N345 PolarHBondContact O-OD1 3.24Å; E342-N345 PolarHBondContact O-N 2.85Å; N345-L347 VanDerWaalsContact C-N 3.3Å; N345-L347 PolarHBondContact O-N 2.98Å; N345-Y348 PolarHBondContact O-N 3.32Å; N345-Q349 VanDerWaalsContact O-CG 3.31Å; N345-Q349 WeakPolarHBondContact O-CG 3.42Å; N345-Q349 PolarHBondContact O-N 2.93Å |
| 346 | R | 89.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 64 Ų | 64 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -32.9 | 177.5 | -64.6 | -176.8 | -159.5 | -163.1 | 8.2 | 111.9 | F58 E342 M350 | F58-R346 HydrophobicContact CE2-CB 4.26Å; E342-R346 WeakPolarHBondContact O-CB 3.34Å; E342-R346 VanDerWaalsContact O-CG 3.28Å; E342-R346 WeakPolarHBondContact O-CG 3.46Å; E342-R346 PolarHBondContact O-N 2.78Å; E342-R346 IonicContact OE1-CZ 3.78Å; E342-R346 IonicContact OE1-NH2 2.78Å; E342-R346 PolarHBondContact OE1-NH2 3.03Å; R346-M350 WeakPolarHBondContact O-CB 3.37Å; R346-M350 PolarHBondContact O-N 3.46Å |
| 347 | L | 90.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -50.3 | 172 | -177 | 58.3 | 0 | 0 | 0 | 111.9 | F48 T57 F58 I61 I88 Y343 R344 N345 Q349 M350 I351 | F48-L347 HydrophobicContact CE1-CD2 4.18Å; F48-L347 HydrophobicContact CZ-CD2 3.87Å; T57-L347 HydrophobicContact CG2-CD2 4.35Å; F58-L347 HydrophobicContact CD2-CB 3.96Å; F58-L347 HydrophobicContact CD2-CD1 4.21Å; F58-L347 HydrophobicContact CE2-CB 4.45Å; I61-L347 HydrophobicContact CB-CD1 4.11Å; I61-L347 HydrophobicContact CD1-CD1 3.8Å; I61-L347 HydrophobicContact CD1-CD2 3.73Å; I61-L347 HydrophobicContact CD1-CG 4.33Å; I61-L347 HydrophobicContact CG2-CD1 3.87Å; I88-L347 HydrophobicContact CD1-CD2 3.66Å; Y343-L347 VanDerWaalsContact O-CB 3.23Å; Y343-L347 WeakPolarHBondContact O-CB 3.21Å; Y343-L347 PolarHBondContact O-N 3.04Å; R344-L347 WeakPolarHBondContact O-CB 2.89Å; R344-L347 PolarHBondContact O-N 3.17Å; N345-L347 VanDerWaalsContact C-N 3.3Å; N345-L347 PolarHBondContact O-N 2.98Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-Q349 PolarHBondContact O-N 2.93Å; L347-M350 HydrophobicContact CD1-CE 3.8Å; L347-M350 PolarHBondContact O-N 2.89Å; L347-I351 HydrophobicContact CD1-CD1 4.02Å; L347-I351 HydrophobicContact CG-CD1 3.83Å; L347-I351 WeakPolarHBondContact O-CD1 3.45Å; L347-I351 VanDerWaalsContact O-CG1 3.29Å; L347-I351 WeakPolarHBondContact O-CG1 3.45Å; L347-I351 PolarHBondContact O-N 3.11Å |
| 348 | Y | 89.4 | Confident | 84.7 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 179 | -62.6 | -30.1 | 0 | 0 | 0 | 112.5 | F48 R81 I88 R344 N345 I351 N352 | F48-Y348 WeakPolarHBondContact CE2-OH 3.23Å; R81-Y348 HydrophobicContact CB-CE1 3.96Å; R81-Y348 HydrophobicContact CG-CE1 4.21Å; R81-Y348 HydrophobicContact CG-CE2 3.93Å; I88-Y348 HydrophobicContact CD1-CE1 4.1Å; R344-Y348 HydrophobicContact CG-CD2 4.06Å; R344-Y348 HydrophobicContact CG-CE2 3.43Å; R344-Y348 VanDerWaalsContact CG-CE2 3.43Å; R344-Y348 WeakPolarHBondContact O-CD2 3.37Å; R344-Y348 PolarHBondContact O-N 2.97Å; R344-Y348 VanDerWaalsContact O-N 3.08Å; N345-Y348 PolarHBondContact O-N 3.32Å; Y348-I351 HydrophobicContact CD1-CD1 4.13Å; Y348-I351 PolarHBondContact O-N 3.45Å; Y348-N352 WeakPolarHBondContact O-CB 3.41Å; Y348-N352 PolarHBondContact O-N 3.37Å |
| 349 | Q | 88.9 | Confident | 84 | Confident | 120 Ų | 120 | 72.2 Ų | 72.2 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58 | -54.1 | 168.5 | -73.4 | 167.8 | -18.1 | 0 | 0 | 111.3 | N345 L347 I351 N352 S353 | N345-Q349 VanDerWaalsContact O-CG 3.31Å; N345-Q349 WeakPolarHBondContact O-CG 3.42Å; N345-Q349 PolarHBondContact O-N 2.93Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-Q349 PolarHBondContact O-N 2.93Å; Q349-I351 VanDerWaalsContact C-N 3.29Å; Q349-I351 PolarHBondContact O-N 2.88Å; Q349-N352 PolarHBondContact O-N 3.02Å; Q349-N352 VanDerWaalsContact O-N 3.08Å; Q349-S353 PolarHBondContact O-N 3.09Å; Q349-S353 PolarHBondContact O-OG 2.88Å; Q349-S353 VanDerWaalsContact O-OG 3.08Å |
| 350 | M | 85.8 | Confident | 82.9 | Confident | 31 Ų | 31 | 73 Ų | 73 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.2 | -40.4 | 178.9 | -178.1 | 174 | 66.3 | 0 | 0 | 112.9 | F58 I61 A62 P331 R346 L347 K354 | F58-M350 HydrophobicContact CE2-CE 4.26Å; F58-M350 HydrophobicContact CZ-CE 4.28Å; F58-M350 HydrophobicContact CZ-SD 4.38Å; I61-M350 HydrophobicContact CG2-CE 4.17Å; A62-M350 HydrophobicContact CB-CE 4.28Å; P331-M350 HydrophobicContact CG-SD 4.17Å; R346-M350 WeakPolarHBondContact O-CB 3.37Å; R346-M350 PolarHBondContact O-N 3.46Å; L347-M350 HydrophobicContact CD1-CE 3.8Å; L347-M350 PolarHBondContact O-N 2.89Å; M350-K354 PolarHBondContact O-N 3.13Å |
| 351 | I | 84.1 | Confident | 81.8 | Confident | 10 Ų | 10 | 79 Ų | 79 | 5% | 0.051 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66 | -44 | 176.8 | -68.7 | 158 | 0 | 0 | 0 | 111.3 | V79 L347 Y348 Q349 K354 K355 | V79-I351 HydrophobicContact CB-CD1 3.68Å; V79-I351 HydrophobicContact CB-CG1 4.05Å; V79-I351 HydrophobicContact CG1-CD1 3.39Å; V79-I351 HydrophobicContact CG1-CG1 4.3Å; V79-I351 HydrophobicContact CG2-CD1 4.4Å; L347-I351 HydrophobicContact CD1-CD1 4.02Å; L347-I351 HydrophobicContact CG-CD1 3.83Å; L347-I351 WeakPolarHBondContact O-CD1 3.45Å; L347-I351 VanDerWaalsContact O-CG1 3.29Å; L347-I351 WeakPolarHBondContact O-CG1 3.45Å; L347-I351 PolarHBondContact O-N 3.11Å; Y348-I351 HydrophobicContact CD1-CD1 4.13Å; Y348-I351 PolarHBondContact O-N 3.45Å; Q349-I351 VanDerWaalsContact C-N 3.29Å; Q349-I351 PolarHBondContact O-N 2.88Å; I351-K354 PolarHBondContact O-N 3.19Å; I351-K355 HydrophobicContact CG2-CD 4.07Å; I351-K355 VanDerWaalsContact CG2-NZ 3.27Å; I351-K355 WeakPolarHBondContact O-CG 3.4Å; I351-K355 PolarHBondContact O-N 2.73Å; I351-K355 VanDerWaalsContact O-N 3.13Å |
| 352 | N | 83.8 | Confident | 80.8 | Confident | 100 Ų | 100 | 80 Ų | 80 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | -179.1 | -71.2 | -8.4 | 0 | 0 | 0 | 111.7 | Y348 Q349 K354 K355 L356 | Y348-N352 WeakPolarHBondContact O-CB 3.41Å; Y348-N352 PolarHBondContact O-N 3.37Å; Q349-N352 PolarHBondContact O-N 3.02Å; Q349-N352 VanDerWaalsContact O-N 3.08Å; N352-K354 VanDerWaalsContact C-N 3.27Å; N352-K354 PolarHBondContact O-N 2.87Å; N352-K355 PolarHBondContact O-N 3.25Å; N352-K355 VanDerWaalsContact O-N 3.11Å; N352-L356 PolarHBondContact O-N 2.73Å |
| 353 | S | 80.5 | Confident | 79.4 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 47% | 0.469 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.5 | -37.9 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | Q349 R357 | Q349-S353 PolarHBondContact O-N 3.09Å; Q349-S353 PolarHBondContact O-OG 2.88Å; Q349-S353 VanDerWaalsContact O-OG 3.08Å; S353-R357 WeakPolarHBondContact O-CB 3.44Å; S353-R357 WeakPolarHBondContact O-CG 3.36Å; S353-R357 PolarHBondContact O-N 3.48Å |
| 354 | K | 75.4 | Confident | 78 | Confident | 90 Ų | 90 | 85.8 Ų | 85.8 | 39% | 0.391 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.9 | -34.7 | 175.1 | -75.4 | -168.7 | 176.8 | 176.6 | 0 | 113.6 | Q65 M350 I351 N352 K358 | Q65-K354 PolarHBondContact O-NZ 3.43Å; Q65-K354 VanDerWaalsContact OE1-CD 3.28Å; M350-K354 PolarHBondContact O-N 3.13Å; I351-K354 PolarHBondContact O-N 3.19Å; N352-K354 VanDerWaalsContact C-N 3.27Å; N352-K354 PolarHBondContact O-N 2.87Å; K354-K358 PolarHBondContact O-N 3.1Å |
| 355 | K | 76.1 | Confident | 76.5 | Confident | 94 Ų | 94 | 88 Ų | 88 | 41% | 0.409 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 173 | -72.6 | 168 | -178.4 | 169.6 | 0 | 111 | N78 V79 I351 N352 K358 H359 | N78-K355 WeakPolarHBondContact OD1-CE 3.1Å; N78-K355 PolarHBondContact OD1-NZ 3.47Å; V79-K355 PolarHBondContact O-NZ 3.02Å; I351-K355 HydrophobicContact CG2-CD 4.07Å; I351-K355 VanDerWaalsContact CG2-NZ 3.27Å; I351-K355 WeakPolarHBondContact O-CG 3.4Å; I351-K355 PolarHBondContact O-N 2.73Å; I351-K355 VanDerWaalsContact O-N 3.13Å; N352-K355 PolarHBondContact O-N 3.25Å; N352-K355 VanDerWaalsContact O-N 3.11Å; K355-K358 PolarHBondContact O-N 3.14Å; K355-H359 PolarHBondContact O-N 2.79Å |
| 356 | L | 71.9 | Confident | 74.9 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.3 | -167.9 | 65.4 | 0 | 0 | 0 | 112.2 | N352 K358 H359 N360 | N352-L356 PolarHBondContact O-N 2.73Å; L356-K358 VanDerWaalsContact C-N 3.31Å; L356-K358 PolarHBondContact O-N 2.94Å; L356-H359 PolarHBondContact O-N 3.25Å; L356-H359 VanDerWaalsContact O-N 3.14Å; L356-N360 PolarHBondContact O-N 3.3Å; L356-N360 PolarHBondContact O-OD1 3.29Å |
| 357 | R | 74.4 | Confident | 73.1 | Confident | 138 Ų | 138 | 93.9 Ų | 93.9 | 52% | 0.521 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 175.1 | -77 | -179.1 | 177.5 | -159.6 | -2.7 | 113.3 | S353 R361 | S353-R357 WeakPolarHBondContact O-CB 3.44Å; S353-R357 WeakPolarHBondContact O-CG 3.36Å; S353-R357 PolarHBondContact O-N 3.48Å; R357-R361 WeakPolarHBondContact O-CG 3.41Å; R357-R361 PolarHBondContact O-N 3.12Å |
| 358 | K | 72.8 | Confident | 70.7 | Confident | 151 Ų | 151 | 100 Ų | 100 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -47.2 | 171.5 | -77 | -167.6 | 174.1 | -168.5 | 0 | 111.6 | K354 K355 L356 N360 R361 N362 | K354-K358 PolarHBondContact O-N 3.1Å; K355-K358 PolarHBondContact O-N 3.14Å; L356-K358 VanDerWaalsContact C-N 3.31Å; L356-K358 PolarHBondContact O-N 2.94Å; K358-N360 PolarHBondContact O-N 2.75Å; K358-R361 PolarHBondContact O-N 3.11Å; K358-N362 PolarHBondContact O-N 3.08Å; K358-N362 VanDerWaalsContact O-N 3.15Å; K358-N362 PolarHBondContact O-OD1 3.42Å; K358-N362 VanDerWaalsContact O-OD1 3.07Å |
| 359 | H | 69.9 | Low | 68.4 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 57% | 0.569 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -42.4 | -179.4 | -172.6 | 55.9 | 0 | 0 | 0 | 112.9 | K355 L356 N362 K363 | K355-H359 PolarHBondContact O-N 2.79Å; L356-H359 PolarHBondContact O-N 3.25Å; L356-H359 VanDerWaalsContact O-N 3.14Å; H359-N362 PolarHBondContact O-N 2.9Å; H359-K363 PolarHBondContact O-N 2.9Å; H359-K363 VanDerWaalsContact O-N 3.13Å |
| 360 | N | 65.5 | Low | 66.2 | Low | 89 Ų | 89 | 105.8 Ų | 105.8 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 177.6 | -68.1 | 17 | 0 | 0 | 0 | 112.1 | L356 K358 K363 S364 | L356-N360 PolarHBondContact O-N 3.3Å; L356-N360 PolarHBondContact O-OD1 3.29Å; K358-N360 PolarHBondContact O-N 2.75Å; N360-K363 PolarHBondContact O-N 3.29Å; N360-S364 PolarHBondContact O-N 3.42Å; N360-S364 PolarHBondContact O-OG 3.46Å |
| 361 | R | 66.4 | Low | 64.2 | Low | 167 Ų | 167 | 110 Ų | 110 | 63% | 0.63 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.7 | -41.4 | 175.4 | -84.2 | -173.2 | 174.1 | -165.5 | -3.5 | 112.8 | R357 K358 S364 V365 | R357-R361 WeakPolarHBondContact O-CG 3.41Å; R357-R361 PolarHBondContact O-N 3.12Å; K358-R361 PolarHBondContact O-N 3.11Å; R361-S364 WeakPolarHBondContact CA-OG 3.47Å; R361-S364 PolarHBondContact O-N 2.9Å; R361-S364 PolarHBondContact O-OG 3.35Å; R361-V365 WeakPolarHBondContact O-CG2 3.22Å; R361-V365 PolarHBondContact O-N 3.22Å |
| 362 | N | 68.4 | Low | 62.2 | Low | 96 Ų | 96 | 116.4 Ų | 116.4 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.8 | -52 | 174.2 | -73.6 | 48.3 | 0 | 0 | 0 | 110.4 | K358 H359 S364 V365 D366 | K358-N362 PolarHBondContact O-N 3.08Å; K358-N362 VanDerWaalsContact O-N 3.15Å; K358-N362 PolarHBondContact O-OD1 3.42Å; K358-N362 VanDerWaalsContact O-OD1 3.07Å; H359-N362 PolarHBondContact O-N 2.9Å; N362-S364 PolarHBondContact O-N 3.26Å; N362-S364 VanDerWaalsContact O-N 3.16Å; N362-V365 PolarHBondContact O-N 2.94Å; N362-D366 VanDerWaalsContact O-CG 3.26Å; N362-D366 PolarHBondContact O-N 2.88Å; N362-D366 VanDerWaalsContact O-OD2 3.14Å |
| 363 | K | 63.3 | Low | 60 | Low | 114 Ų | 114 | 116.5 Ų | 116.5 | 50% | 0.496 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -54.3 | -36.3 | 177.3 | -78.1 | -170.8 | 167.5 | -171.4 | 0 | 114.1 | H359 N360 Q367 | H359-K363 PolarHBondContact O-N 2.9Å; H359-K363 VanDerWaalsContact O-N 3.13Å; N360-K363 PolarHBondContact O-N 3.29Å; K363-Q367 WeakPolarHBondContact O-CB 3.44Å; K363-Q367 WeakPolarHBondContact O-CG 3.29Å; K363-Q367 PolarHBondContact O-N 3.46Å |
| 364 | S | 60.4 | Low | 58 | Low | 71 Ų | 71 | 120.7 Ų | 120.7 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.1 | -21.1 | 177.1 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | N360 R361 N362 | N360-S364 PolarHBondContact O-N 3.42Å; N360-S364 PolarHBondContact O-OG 3.46Å; R361-S364 WeakPolarHBondContact CA-OG 3.47Å; R361-S364 PolarHBondContact O-N 2.9Å; R361-S364 PolarHBondContact O-OG 3.35Å; N362-S364 PolarHBondContact O-N 3.26Å; N362-S364 VanDerWaalsContact O-N 3.16Å |
| 365 | V | 60.5 | Low | 56.2 | Low | 98 Ų | 98 | 121.5 Ų | 121.5 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.2 | -39.3 | 171.8 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | R361 N362 Q367 L368 | R361-V365 WeakPolarHBondContact O-CG2 3.22Å; R361-V365 PolarHBondContact O-N 3.22Å; N362-V365 PolarHBondContact O-N 2.94Å; V365-Q367 PolarHBondContact O-N 3.2Å; V365-L368 PolarHBondContact O-N 3.46Å |
| 366 | D | 56.4 | Low | 54.1 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 68% | 0.684 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 2.2 | 175.7 | -53.5 | -36 | 0 | 0 | 0 | 113.6 | N362 | N362-D366 VanDerWaalsContact O-CG 3.26Å; N362-D366 PolarHBondContact O-N 2.88Å; N362-D366 VanDerWaalsContact O-OD2 3.14Å |
| 367 | Q | 50.4 | Low | 52.4 | Low | 157 Ų | 157 | 123.4 Ų | 123.4 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 13.1 | -178.9 | -74.1 | -173.6 | -22.8 | 0 | 0 | 114.2 | K363 V365 | K363-Q367 WeakPolarHBondContact O-CB 3.44Å; K363-Q367 WeakPolarHBondContact O-CG 3.29Å; K363-Q367 PolarHBondContact O-N 3.46Å; V365-Q367 PolarHBondContact O-N 3.2Å |
| 368 | L | 40.5 | Very low | 50.5 | Low | 129 Ų | 129 | 122.2 Ų | 122.2 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -67.6 | 130.2 | 162.9 | -87.2 | 154.4 | 0 | 0 | 0 | 109.4 | V365 N370 | V365-L368 PolarHBondContact O-N 3.46Å; L368-N370 PolarHBondContact O-N 3.38Å |
| 369 | P | 40.7 | Very low | 48.7 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.8 | 175.5 | -23.7 | 34.1 | 0 | 0 | 0 | 111.1 | ||
| 370 | N | 42.7 | Very low | 47.1 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60 | 139.7 | 170 | -76.6 | -34 | 0 | 0 | 0 | 109.7 | L368 I372 | L368-N370 PolarHBondContact O-N 3.38Å; N370-I372 PolarHBondContact O-N 3.44Å |
| 371 | P | 44.1 | Very low | 45.7 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136 | 165.6 | -22.8 | 33.8 | 0 | 0 | 0 | 110.1 | P373 | P371-P373 WeakPolarHBondContact O-CD 3.45Š|
| 372 | I | 41.3 | Very low | 44.3 | Very low | 145 Ų | 145 | 123 Ų | 123 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 120.6 | -176 | -60.6 | 170.7 | 0 | 0 | 0 | 109.3 | N370 N374 | N370-I372 PolarHBondContact O-N 3.44Å; I372-N374 PolarHBondContact O-N 3Å; I372-N374 VanDerWaalsContact O-N 3.14Å |
| 373 | P | 39 | Very low | 42.7 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -80.7 | 95 | 177 | 31.7 | -32 | 0 | 0 | 0 | 110.1 | P371 T375 | P371-P373 WeakPolarHBondContact O-CD 3.45Å; P373-T375 PolarHBondContact O-N 3.34Å | ||
| 374 | N | 37.6 | Very low | 41.2 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -71.5 | 94.7 | 168.7 | -80.5 | 3.8 | 0 | 0 | 0 | 109.8 | I372 | I372-N374 PolarHBondContact O-N 3Å; I372-N374 VanDerWaalsContact O-N 3.14Å | ||
| 375 | T | 37.2 | Very low | 39.9 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | trans | -102.6 | 118.8 | 175.5 | 50 | 0 | 0 | 0 | 0 | 112.1 | P373 | P373-T375 PolarHBondContact O-N 3.34Š| ||
| 376 | T | 33.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | 70.5 | 160.4 | 146.7 | 55.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 377 | P | 36.4 | Very low | 37.5 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | cis | -134.7 | 165.6 | 16.5 | 42.3 | -25 | 0 | 0 | 0 | 119.5 | ||||
| 378 | T | 34.1 | Very low | 36.6 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | trans | 67.2 | 118 | 144.9 | 43.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 379 | E | 35.5 | Very low | 36.4 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | 101.8 | 120.2 | 123 | -80.4 | -177 | -159.8 | 0 | 0 | 122.4 | |||||
| 380 | K | 36.3 | Very low | 35.9 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | 76.3 | 131 | 140.1 | -67.2 | 164.3 | 179.4 | 153.8 | 0 | 120 | ||||
| 381 | S | 35.9 | Very low | 35.5 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 58 | 146.7 | 141.8 | 59.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 382 | D | 36.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | cis | -163 | 166 | -23.7 | -94.4 | -37.1 | 0 | 0 | 0 | 107 | ||||
| 383 | E | 34.8 | Very low | 34.4 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 37.9 | 129.1 | 153 | -65.5 | -179.4 | 153.2 | 0 | 0 | 123.3 | ||||
| 384 | E | 32.7 | Very low | 34 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | 51.7 | 125.8 | 145.9 | -55.7 | -162.2 | 138.1 | 0 | 0 | 122.9 | ||||
| 385 | L | 32.8 | Very low | 33.7 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 88% | 0.88 | 74% | 0.738 | S | S | * | * | -172.3 | 103.2 | 109.2 | -101 | 161.8 | 0 | 0 | 0 | 115.9 | |||||
| 386 | T | 31.4 | Very low | 33.4 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -21.4 | 124.8 | 155.9 | -45.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 387 | V | 35.3 | Very low | 33.4 | Very low | 142 Ų | 142 | 145 Ų | 145 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | -141.7 | 99.2 | 135 | -175.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 388 | R | 31.5 | Very low | 32.8 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | 13 | 130.8 | 136.5 | -76.6 | 178.8 | 168.4 | 118.2 | 0.2 | 120.4 | ||||
| 389 | N | 34.5 | Very low | 32.6 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | -151.7 | 147.7 | 90.7 | -97.7 | -23.9 | 0 | 0 | 0 | 111.5 | |||||
| 390 | Q | 30.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | trans | -100.8 | 156.8 | -172.4 | -65.7 | 165.2 | -101.9 | 0 | 0 | 111.8 | D392 | Q390-D392 PolarHBondContact NE2-OD2 3.39Š| ||
| 391 | I | 34 | Very low | 32.3 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | -153.1 | 120.5 | 118.3 | -96.4 | 151.8 | 0 | 0 | 0 | 106.9 | |||||
| 392 | D | 29.1 | Very low | 31.9 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | trans | -79.6 | 158.2 | 173.8 | -61.2 | -83.1 | 0 | 0 | 0 | 110.7 | Q390 | Q390-D392 PolarHBondContact NE2-OD2 3.39Š| ||
| 393 | M | 33.3 | Very low | 31.7 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | -172.9 | 150.6 | 107.3 | -94.6 | -56.1 | -73.1 | 0 | 0 | 112.2 | |||||
| 394 | D | 31.3 | Very low | 31.7 | Very low | 106 Ų | 106 | 148 Ų | 148 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | trans | -106.2 | 160.4 | -162.1 | -155.7 | 6.4 | 0 | 0 | 0 | 112.7 | ||||
| 395 | R | 30.8 | Very low | 31.7 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 40.9 | 136.9 | 160.5 | -62.4 | 158.4 | -150.5 | -129.9 | 0.9 | 121.2 | ||||
| 396 | L | 31.5 | Very low | 31.8 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | -178.8 | 164.2 | 100.1 | -110.8 | 98.2 | 0 | 0 | 0 | 111.3 | |||||
| 397 | P | 32.2 | Very low | 31.9 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | -100.6 | 176.3 | -171.2 | 39.3 | -35.8 | 0 | 0 | 0 | 115.8 | ||||
| 398 | C | 24.9 | Very low | 32 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -24.3 | 134.9 | 176 | -59.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 399 | S | 30.6 | Very low | 32.1 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 174.9 | 175.1 | 70.9 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 400 | K | 33.7 | Very low | 32 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 75.3 | 117 | 154.5 | -74.1 | 169.5 | 179.9 | 173.1 | 0 | 121.1 | ||||
| 401 | L | 30.3 | Very low | 32 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | 78.2 | 98.3 | 128.5 | -62.8 | 170.7 | 0 | 0 | 0 | 122.1 | |||||
| 402 | R | 28 | Very low | 32 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | 81 | 137.8 | 107.2 | -157.8 | -159.1 | 166.8 | 152.2 | 2.5 | 120.1 | |||||
| 403 | N | 32.9 | Very low | 32.2 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | trans | 100 | 106.9 | 158.6 | -63 | -35.2 | 0 | 0 | 0 | 119.5 | ||||
| 404 | N | 33.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | 79 | 122.1 | 122.2 | -54.7 | -6.4 | 0 | 0 | 0 | 124.1 | |||||
| 405 | H | 33.8 | Very low | 32.1 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 81.3 | 112.1 | 133.3 | -89.7 | 7.9 | 0 | 0 | 0 | 124.4 | ||||
| 406 | L | 33 | Very low | 32.2 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | 72.8 | 120.7 | 122.5 | -59.7 | -178.9 | 0 | 0 | 0 | 124 | |||||
| 407 | D | 35 | Very low | 32.2 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | 82.9 | 148.4 | 123.3 | -61.1 | -5.3 | 0 | 0 | 0 | 125 | |||||
| 408 | D | 37 | Very low | 32.2 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | 56.3 | 153.3 | 177 | -86.2 | -31 | 0 | 0 | 0 | 119.4 | ||||
| 409 | G | 32.7 | Very low | 32.6 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | cis | 158.7 | 121.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 410 | G | 33.1 | Very low | 32.6 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | 173.6 | 156.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 411 | K | 31.9 | Very low | 32.3 | Very low | 163 Ų | 163 | 129 Ų | 129 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | trans | -159 | 170.3 | -170.9 | -156.6 | 178.7 | -176.8 | -176.7 | 0 | 111.7 | ||||
| 412 | L | 33.5 | Very low | 32.4 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | 81.6 | 152.3 | 166.7 | -56.6 | 167.1 | 0 | 0 | 0 | 117.5 | ||||
| 413 | E | 31.7 | Very low | 32.3 | Very low | 149 Ų | 149 | 126 Ų | 126 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | cis | -169.4 | 156.5 | -36.8 | -144.4 | 171.7 | -133.5 | 0 | 0 | 112.1 | ||||
| 414 | T | 31.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | 63.6 | 151.4 | 166.5 | 71.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 415 | N | 32 | Very low | 32.3 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | cis | -165.1 | 153.6 | 40.8 | -111.4 | -63.4 | 0 | 0 | 0 | 111.6 | ||||
| 416 | Q | 32.5 | Very low | 32.4 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 60.9 | 161.1 | 146.3 | -65.8 | 166.6 | 42.8 | 0 | 0 | 119.8 | ||||
| 417 | A | 32.4 | Very low | 32.5 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | cis | -163.1 | 160.9 | -30.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 418 | S | 31.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 58.8 | 146 | 148.8 | 57.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 419 | S | 33.1 | Very low | 32 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | 70.6 | 151 | 154 | 74.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 420 | S | 30.7 | Very low | 31.8 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -164.3 | 148.3 | -23.6 | 47 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 421 | S | 28.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | 18.7 | 134.8 | 150.7 | 60.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 422 | L | 31.1 | Very low | 31.4 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | -152.8 | 149 | 116 | -108.1 | 167.1 | 0 | 0 | 0 | 110.5 | |||||
| 423 | N | 26.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | -157.8 | 121.1 | -165.3 | 178.8 | 14.1 | 0 | 0 | 0 | 112.1 | ||||
| 424 | V | 35.7 | Very low | 31 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -139.2 | 88.2 | 172.7 | -176 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 425 | N | 31.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 51% | 0.508 | 76% | 0.758 | S | S | . | * | 47.6 | 113.7 | 83.7 | -84.7 | -53.3 | 0 | 0 | 0 | 115.9 | |||||
| 426 | H | 35 | Very low | 30.9 | Very low | 191 Ų | 191 | 141 Ų | 141 | 88% | 0.884 | 77% | 0.767 | S | S | * | * | -142.6 | 127.5 | 125.8 | -127.7 | -81.1 | 0 | 0 | 0 | 111.5 | |||||
| 427 | K | 34.7 | Very low | 30.8 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | -89.9 | 176.6 | 167 | -50.9 | 175.1 | -178.2 | 172.4 | 0 | 107.4 | ||||
| 428 | S | 34.6 | Very low | 30.8 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -160.9 | 162.5 | 17.4 | 37.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 429 | F | 28.2 | Very low | 30.6 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | -167.3 | 152.6 | 83.9 | -155.6 | -100.5 | 0 | 0 | 0 | 111.7 | |||||
| 430 | I | 27.6 | Very low | 30.6 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | -144.5 | 136.1 | -175.5 | -66.6 | 176.1 | 0 | 0 | 0 | 109.8 | ||||
| 431 | Q | 31 | Very low | 30.4 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 178.3 | 129.4 | 143 | -95.8 | 151.4 | 15.6 | 0 | 0 | 107.9 | ||||
| 432 | S | 26.1 | Very low | 30.5 | Very low | 97 Ų | 97 | 154.8 Ų | 154.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | 92.9 | 90.9 | 23.2 | 83.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 433 | I | 29.9 | Very low | 30.6 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -138.1 | 129.3 | 160.3 | -62.1 | -176.8 | 0 | 0 | 0 | 108.9 | ||||
| 434 | N | 26.4 | Very low | 30.6 | Very low | 154 Ų | 154 | 156.4 Ų | 156.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -96.8 | 148.7 | 170.2 | -70.1 | -30.9 | 0 | 0 | 0 | 110.6 | ||||
| 435 | R | 30.1 | Very low | 30.4 | Very low | 244 Ų | 244 | 157.5 Ų | 157.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -163.6 | 165.9 | 151.2 | -108.9 | 160.7 | -156.2 | -138.6 | 2.4 | 111.6 | ||||
| 436 | T | 32.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 158.1 Ų | 158.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -107 | 168.4 | -154.6 | 39.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 437 | T | 30.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -51.7 | 165 | 168.9 | 23.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 438 | P | 31.9 | Very low | 29.8 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -149.2 | 173.3 | 46.7 | 42.5 | -21.4 | 0 | 0 | 0 | 120.7 | ||||
| 439 | N | 27.4 | Very low | 29.7 | Very low | 155 Ų | 155 | 159.5 Ų | 159.5 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | 6.3 | 127.1 | 159.4 | -58.8 | -5.6 | 0 | 0 | 0 | 120.9 | ||||
| 440 | Q | 33.4 | Very low | 29.8 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -142.6 | 154.7 | 141.7 | -106 | 176.6 | 2.7 | 0 | 0 | 110.4 | ||||
| 441 | E | 25.2 | Very low | 30.1 | Very low | 182 Ų | 182 | 158.9 Ų | 158.9 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 141.1 | -174.4 | -52.8 | 162.6 | 112.7 | 0 | 0 | 111.7 | ||||
| 442 | F | 32.3 | Very low | 30.1 | Very low | 200 Ų | 200 | 155.7 Ų | 155.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -146.5 | 146.4 | 157.3 | -98.7 | -69.1 | 0 | 0 | 0 | 114.4 | ||||
| 443 | H | 31.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -69.3 | 162.1 | -167.3 | -76.7 | -93.3 | 0 | 0 | 0 | 116 | N445 | H443-N445 PolarHBondContact O-N 3.21Š| ||
| 444 | N | 26.9 | Very low | 30.7 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -41.7 | 125.9 | 158.3 | -66 | -50.3 | 0 | 0 | 0 | 112.5 | ||||
| 445 | N | 30.4 | Very low | 31.3 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -157.5 | 153.8 | 145.7 | -107.5 | -37.2 | 0 | 0 | 0 | 111.9 | H443 | H443-N445 PolarHBondContact O-N 3.21Š| ||
| 446 | S | 27.6 | Very low | 31.5 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -79.6 | 127.6 | -176.7 | 55 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 447 | H | 33.2 | Very low | 31.3 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -135 | 153.4 | 165.4 | -105.5 | -96.2 | 0 | 0 | 0 | 112.8 | ||||
| 448 | L | 29.6 | Very low | 31.4 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -80.6 | 132 | -172.3 | -65.1 | 83.8 | 0 | 0 | 0 | 111.5 | I450 | L448-I450 VanDerWaalsContact C-N 3.28Å; L448-I450 HydrophobicContact CB-CG1 4.49Å; L448-I450 PolarHBondContact O-N 2.98Å | ||
| 449 | N | 30.8 | Very low | 31.4 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 84.4 | 163.4 | -81.3 | -22.4 | 0 | 0 | 0 | 110.3 | ||||
| 450 | I | 31.3 | Very low | 31.6 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -63.9 | 130.2 | 166.9 | -62.7 | 174.9 | 0 | 0 | 0 | 108.1 | L448 N452 | L448-I450 VanDerWaalsContact C-N 3.28Å; L448-I450 HydrophobicContact CB-CG1 4.49Å; L448-I450 PolarHBondContact O-N 2.98Å; I450-N452 PolarHBondContact O-N 2.94Å | ||
| 451 | W | 32.7 | Very low | 31.4 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 60% | 0.602 | 75% | 0.749 | S | S | * | * | trans | -67 | 114.3 | 175.4 | -87.6 | 41.4 | 0 | 0 | 0 | 110.3 | P331 P453 M456 | P331-W451 HydrophobicContact CB-CZ2 4.31Å; P331-W451 HydrophobicContact CG-CZ2 4.3Å; W451-P453 WeakPolarHBondContact O-CD 3.36Å; W451-M456 HydrophobicContact CZ3-CE 4.3Å | ||
| 452 | N | 31.7 | Very low | 31.6 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 56% | 0.561 | 75% | 0.752 | S | S | * | * | trans | -63.5 | 120.7 | 163.7 | -176.5 | -16.6 | 0 | 0 | 0 | 108.7 | I450 E454 | I450-N452 PolarHBondContact O-N 2.94Å; N452-E454 VanDerWaalsContact C-N 3.31Å; N452-E454 PolarHBondContact O-N 3.38Å; N452-E454 PolarHBondContact OD1-N 3.23Å | ||
| 453 | P | 34.9 | Very low | 31.4 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -69.3 | -17.2 | -171.9 | -23.3 | 35.8 | 0 | 0 | 0 | 116.5 | W451 | W451-P453 WeakPolarHBondContact O-CD 3.36Š|
| 454 | E | 34.7 | Very low | 31.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | trans | -88.7 | -26.4 | -157.6 | -57.3 | -163.5 | 131.1 | 0 | 0 | 115.4 | N452 M456 | N452-E454 VanDerWaalsContact C-N 3.31Å; N452-E454 PolarHBondContact O-N 3.38Å; N452-E454 PolarHBondContact OD1-N 3.23Å; E454-M456 PolarHBondContact O-N 3.05Å | ||
| 455 | N | 37.7 | Very low | 31.2 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -79.6 | 40.4 | -173.1 | -70.8 | -6 | 0 | 0 | 0 | 114.3 | ||
| 456 | M | 34.1 | Very low | 31 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 54% | 0.537 | 74% | 0.739 | S | S | . | * | trans | -137.9 | 65.6 | 172.8 | -76.9 | -166.8 | 168.5 | 0 | 0 | 112.2 | W451 E454 | W451-M456 HydrophobicContact CZ3-CE 4.3Å; E454-M456 PolarHBondContact O-N 3.05Å | ||
| 457 | R | 30 | Very low | 31.1 | Very low | 234 Ų | 234 | 142.5 Ų | 142.5 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 118 | 158.7 | -66.9 | -170.6 | -177.5 | -149.8 | 2.7 | 109.5 | ||
| 458 | P | 32.3 | Very low | 30.9 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.6 | 155.8 | -8.7 | 26 | 0 | 0 | 0 | 108.6 | ||
| 459 | I | 31.4 | Very low | 30.9 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 119 | 159.6 | -62.1 | 172.4 | 0 | 0 | 0 | 105.8 | ||
| 460 | S | 30.5 | Very low | 30.9 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -158.3 | 66.3 | -179.7 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 461 | D | 29.8 | Very low | 31 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | -126.8 | 129.2 | 172.1 | -69.3 | -65.2 | 0 | 0 | 0 | 108.3 | ||||
| 462 | L | 29.5 | Very low | 30.7 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 62.2 | 133.5 | -168.3 | -64.4 | 72.7 | 0 | 0 | 0 | 114 | ||
| 463 | A | 28.3 | Very low | 30.7 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | -111.2 | 142.4 | 1.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 464 | T | 27.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -97.4 | 106.4 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | T466 | T464-T466 HydrophobicContact CG2-CG2 3.98Š| ||
| 465 | Y | 26.7 | Very low | 30.1 | Very low | 222 Ų | 222 | 137.1 Ų | 137.1 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | trans | -114.6 | 91.8 | 163.1 | -100.3 | -82.6 | 0 | 0 | 0 | 110.8 | V467 | Y465-V467 PolarHBondContact O-N 3.07Š| ||
| 466 | T | 27.2 | Very low | 29.7 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -80.4 | 104.4 | 172 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | T464 | T464-T466 HydrophobicContact CG2-CG2 3.98Š| ||
| 467 | V | 29.9 | Very low | 29.6 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -89.1 | 108.4 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | Y465 | Y465-V467 PolarHBondContact O-N 3.07Š| ||
| 468 | K | 28.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -71.6 | 143.5 | 169 | -69.2 | 177.7 | 179.9 | 173.8 | 0 | 108.9 | S470 | K468-S470 VanDerWaalsContact C-N 3.34Å; K468-S470 PolarHBondContact O-N 3.36Å | ||
| 469 | P | 29.3 | Very low | 29.3 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -74 | 89.4 | 169.4 | 30.8 | -32.9 | 0 | 0 | 0 | 109.4 | ||||
| 470 | S | 32.3 | Very low | 29.2 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -120.9 | 133.6 | 173.2 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | K468 | K468-S470 VanDerWaalsContact C-N 3.34Å; K468-S470 PolarHBondContact O-N 3.36Å | ||
| 471 | S | 31.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -39.9 | 142 | 175.2 | 47.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 472 | S | 28.2 | Very low | 29.3 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 49.4 | 87.6 | 147.2 | 60.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 473 | L | 30.6 | Very low | 29.4 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -150.2 | 133.8 | 148.6 | -112.7 | 151.7 | 0 | 0 | 0 | 110.4 | ||||
| 474 | S | 26.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -100 | 129.1 | -171.7 | 52.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 475 | V | 30.4 | Very low | 29.7 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -128.8 | 99.6 | 167.6 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 476 | V | 29.4 | Very low | 29.9 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 41.6 | 96.4 | 150.2 | -168 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 477 | R | 31.5 | Very low | 30.1 | Very low | 212 Ų | 212 | 135 Ų | 135 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 150.6 | 131.8 | -69.9 | 178.1 | 176.3 | 170.7 | -1.8 | 108.3 | C479 | R477-C479 PolarHBondContact O-N 3.41Š| ||
| 478 | P | 28.8 | Very low | 30.1 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 97.5 | 155.9 | 29.8 | -30.9 | 0 | 0 | 0 | 108.1 | ||||
| 479 | C | 28.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -81.8 | 135.7 | 178.5 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | R477 H481 | R477-C479 PolarHBondContact O-N 3.41Å; C479-H481 PolarHBondContact O-N 3.04Å | ||
| 480 | S | 28.2 | Very low | 30.5 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -76.7 | 103.4 | 162.4 | 52.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 481 | H | 32 | Very low | 30.6 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | -139.9 | 116.2 | 164.4 | -79.9 | -79.3 | 0 | 0 | 0 | 110.5 | C479 | C479-H481 PolarHBondContact O-N 3.04Š| ||
| 482 | T | 29.7 | Very low | 30.7 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -110.1 | 105.6 | 154.3 | 47.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 483 | E | 32.1 | Very low | 30.9 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -84.6 | 148.5 | 176.9 | -67.5 | -169.3 | 142.3 | 0 | 0 | 111.2 | ||||
| 484 | S | 28.4 | Very low | 31 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -90.7 | 118.1 | -174.6 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 485 | I | 32.9 | Very low | 31.3 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -128.6 | 109 | 163.6 | -67.6 | -175.9 | 0 | 0 | 0 | 109.8 | ||||
| 486 | S | 31.3 | Very low | 31.4 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | trans | 46.2 | 132.6 | 153.8 | 71.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 487 | N | 30.7 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | trans | 95.7 | 124.8 | 134.9 | -71.2 | 0.3 | 0 | 0 | 0 | 121.6 | ||||
| 488 | V | 31.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | 83.7 | 84.5 | 146.5 | 180 | 0 | 0 | 0 | 0 | 118 | ||||
| 489 | N | 31.6 | Very low | 31.5 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | 89.5 | 134.8 | 119.4 | -72.2 | 21.8 | 0 | 0 | 0 | 122.7 | |||||
| 490 | N | 33.7 | Very low | 31.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | trans | 71.9 | 114.9 | 148.7 | -65.7 | 39.3 | 0 | 0 | 0 | 117.1 | ||||
| 491 | E | 33.9 | Very low | 31.4 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | 81.8 | 139.3 | 92 | -70.5 | 164.9 | 175.1 | 0 | 0 | 111.8 | |||||
| 492 | E | 33.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -160.5 | 160.2 | 2.3 | -129 | -162.8 | 141.8 | 0 | 0 | 110.5 | ||||
| 493 | L | 33.3 | Very low | 31.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 57.1 | 161.3 | 151.3 | -60.3 | 167.4 | 0 | 0 | 0 | 120.5 | ||||
| 494 | S | 31.6 | Very low | 31 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 53% | 0.531 | 74% | 0.736 | S | S | . | * | cis | -168.1 | 167.6 | -36.2 | 65.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 495 | R | 33.2 | Very low | 31 | Very low | 227 Ų | 227 | 138.9 Ų | 138.9 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | 74.5 | 129.8 | 163.4 | -61.3 | 162.3 | -169.9 | -168.7 | 1.3 | 115.7 | ||||
| 496 | V | 33.5 | Very low | 30.8 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 90% | 0.903 | 73% | 0.73 | S | S | * | * | cis | 75.4 | 128.4 | 49.4 | 177 | 0 | 0 | 0 | 0 | 112 | ||||
| 497 | G | 32.5 | Very low | 30.6 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | 172.3 | 163 | -5.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 498 | D | 29.5 | Very low | 30.7 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 39.9 | 133.2 | 155.7 | -74.9 | -31.6 | 0 | 0 | 0 | 125.9 | ||||
| 499 | T | 28.9 | Very low | 30.7 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 82.7 | 110.4 | 137 | 53.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 500 | T | 27.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 87.6 | 143.3 | 123.8 | 59 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 501 | Y | 28.2 | Very low | 30.7 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | 84 | 133.8 | 151.2 | -74.5 | -61.8 | 0 | 0 | 0 | 123.5 | ||||
| 502 | E | 27.2 | Very low | 30.6 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 66 | 117.5 | 147.3 | -70.8 | -177.9 | -173.5 | 0 | 0 | 124.6 | ||||
| 503 | H | 30.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 63.2 | 137.7 | 131.5 | -89.4 | -117 | 0 | 0 | 0 | 124 | ||||
| 504 | E | 28.3 | Very low | 30.3 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | 73.7 | 102.3 | 142.5 | -73.5 | 178.5 | -133.2 | 0 | 0 | 123.3 | ||||
| 505 | N | 27 | Very low | 30.2 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 75.1 | 158.7 | 116.8 | -79.8 | -30.5 | 0 | 0 | 0 | 122.5 | |||||
| 506 | I | 29.2 | Very low | 30.3 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 81.1 | 90.9 | 159.7 | -64.1 | 144.7 | 0 | 0 | 0 | 118.5 | ||||
| 507 | S | 27.5 | Very low | 30.3 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 48.7 | 122.2 | 119.6 | 177.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 508 | S | 33 | Very low | 30.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -175.3 | 157 | 135.1 | 35.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 509 | T | 31.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | cis | -159.3 | 149.6 | -29.8 | 22.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 510 | H | 33.3 | Very low | 30.7 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | 146.5 | 113.2 | 142.8 | -80.4 | -58.3 | 0 | 0 | 0 | 111 | ||||
| 511 | S | 31.4 | Very low | 30.9 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | 74.9 | 123.2 | 82.2 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 512 | A | 31.2 | Very low | 31 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | cis | -155.1 | 152.5 | 10.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 513 | I | 29.4 | Very low | 31.1 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | 29.3 | 128.9 | 131.1 | -35.3 | 166.1 | 0 | 0 | 0 | 116.7 | ||||
| 514 | V | 31.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | cis | -147.8 | 177.9 | 48 | -149.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 515 | K | 29.4 | Very low | 31.3 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | -128.1 | -175.8 | -176.1 | -103 | -179.6 | -178.2 | 177 | 0 | 109.6 | ||||
| 516 | P | 36.4 | Very low | 31.6 | Very low | 103 Ų | 103 | 128 Ų | 128 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | cis | -138.1 | -160.2 | -30.5 | 36.5 | -15.7 | 0 | 0 | 0 | 113.2 | ||||
| 517 | S | 33.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | 74.6 | 146.8 | 145.5 | 57 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 518 | N | 33.1 | Very low | 31.7 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | cis | -167.3 | 174.1 | -25.2 | -149.4 | -2.2 | 0 | 0 | 0 | 113.1 | ||||
| 519 | I | 32.6 | Very low | 31.6 | Very low | 77 Ų | 77 | 126.4 Ų | 126.4 | 40% | 0.395 | 72% | 0.724 | S | S | . | * | trans | 81.3 | 171.1 | 155.7 | -57.3 | 147.9 | 0 | 0 | 0 | 118.5 | S688 N689 | I519-S688 WeakPolarHBondContact CG2-O 3.34Å; I519-N689 VanDerWaalsContact CD1-O 3.22Å; I519-N689 WeakPolarHBondContact CD1-O 3.46Å; I519-N689 VanDerWaalsContact CG2-O 3.28Å; I519-N689 WeakPolarHBondContact CG2-O 3.26Å | ||
| 520 | T | 32.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | trans | -147.1 | 179.9 | -136.8 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 521 | K | 31.2 | Very low | 31.2 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | 92.4 | 145.4 | 161.4 | -65.7 | 164.2 | -174.5 | 177.1 | 0 | 117.3 | S687 | K521-S687 PolarHBondContact NZ-O 2.98Š| ||
| 522 | S | 31.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | cis | -169.5 | 146.7 | -13.2 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 523 | S | 29.9 | Very low | 31.1 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 34.4 | 137 | 145.4 | 63.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 524 | F | 30.5 | Very low | 31.2 | Very low | 209 Ų | 209 | 122.2 Ų | 122.2 | 92% | 0.917 | 71% | 0.713 | S | S | * | * | -156.8 | 168.9 | 117.3 | -117 | -78.9 | 0 | 0 | 0 | 112.4 | |||||
| 525 | H | 32.1 | Very low | 31.3 | Very low | 177 Ų | 177 | 118.9 Ų | 118.9 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | trans | -98.3 | 162.4 | -168.5 | -103.4 | -99.7 | 0 | 0 | 0 | 114.8 | ||||
| 526 | P | 32.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -102.2 | 143.5 | -178.3 | 37.6 | -32.6 | 0 | 0 | 0 | 115.8 | ||||
| 527 | T | 30.6 | Very low | 31.4 | Very low | 135 Ų | 135 | 112.4 Ų | 112.4 | 83% | 0.828 | 66% | 0.659 | S | S | * | * | trans | -162.4 | 153.6 | 167.2 | 46.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 528 | S | 28.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 113.6 Ų | 113.6 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | cis | -174.2 | 168.7 | -21.2 | 54.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 529 | S | 30 | Very low | 31.4 | Very low | 103 Ų | 103 | 113 Ų | 113 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | 66.7 | 122.2 | 166.4 | 70.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 530 | S | 28.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | 76.8 | 137.9 | 104.1 | 69.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 531 | S | 28.9 | Very low | 31.5 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | cis | -173.8 | 168.8 | -2.3 | 42.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 532 | T | 29.9 | Very low | 31.5 | Very low | 137 Ų | 137 | 118 Ų | 118 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | trans | 65.3 | 153.5 | 158.2 | 38.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 533 | S | 30.4 | Very low | 31.5 | Very low | 83 Ų | 83 | 120 Ų | 120 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | cis | -171.5 | 152.7 | -12.6 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 534 | N | 31.6 | Very low | 31.8 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | trans | 62.3 | 136.1 | 147.2 | -68.5 | -1.9 | 0 | 0 | 0 | 127.9 | N713 | N534-N713 VanDerWaalsContact C-CG 3.46Å; N534-N713 PolarHBondContact O-ND2 2.89Å | ||
| 535 | N | 33.4 | Very low | 31.8 | Very low | 68 Ų | 68 | 123.2 Ų | 123.2 | 36% | 0.364 | 69% | 0.691 | S | S | . | * | trans | 69.8 | 152.1 | 137.3 | -60.2 | -11.8 | 0 | 0 | 0 | 124 | N713 T715 | N535-N713 VanDerWaalsContact N-CG 3.26Å; N535-N713 PolarHBondContact N-ND2 3.03Å; N535-N713 PolarHBondContact N-OD1 2.65Å; N535-N713 VanDerWaalsContact O-CB 3.28Å; N535-N713 WeakPolarHBondContact O-CB 3.4Å; N535-T715 VanDerWaalsContact CB-O 3.27Å; N535-T715 WeakPolarHBondContact CB-O 3.39Å; N535-T715 PolarHBondContact ND2-O 3.5Å; N535-T715 VanDerWaalsContact ND2-O 3.16Å; N535-T715 PolarHBondContact OD1-N 3.34Å; N535-T715 VanDerWaalsContact OD1-N 3.11Å; N535-T715 PolarHBondContact OD1-O 2.88Å; N535-T715 PolarHBondContact OD1-OG1 3.38Å | ||
| 536 | N | 33.9 | Very low | 31.7 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 48% | 0.476 | 69% | 0.686 | S | S | . | * | cis | -137.3 | 150 | 15.8 | 179.4 | 29.9 | 0 | 0 | 0 | 115.9 | S714 T715 L716 | N536-S714 VanDerWaalsContact C-CA 3.44Å; N536-S714 WeakPolarHBondContact O-CB 3.27Å; N536-S714 PolarHBondContact O-OG 3.42Å; N536-T715 VanDerWaalsContact CA-N 3.29Å; N536-T715 PolarHBondContact OD1-O 3.46Å; N536-T715 VanDerWaalsContact OD1-O 3.1Å; N536-L716 WeakPolarHBondContact OD1-CB 3.13Å; N536-L716 PolarHBondContact OD1-N 3.44Å | ||
| 537 | N | 34.1 | Very low | 31.6 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 38% | 0.38 | 69% | 0.693 | S | S | . | * | trans | -49.6 | 172.4 | -154.1 | -119.5 | -31.8 | 0 | 0 | 0 | 124.5 | S714 L716 | N537-S714 WeakPolarHBondContact CA-O 3.48Å; N537-S714 VanDerWaalsContact N-C 3.31Å; N537-S714 PolarHBondContact OD1-O 3.22Å; N537-S714 VanDerWaalsContact OD1-O 3.1Å; N537-L716 PolarHBondContact ND2-O 3.19Å | ||
| 538 | N | 33.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | 98.5 | 152.4 | 149.7 | -65.2 | -45.8 | 0 | 0 | 0 | 123.2 | ||||
| 539 | N | 33.5 | Very low | 31.4 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | cis | -170.9 | 165.1 | -39 | -133.6 | -43.2 | 0 | 0 | 0 | 112.6 | ||||
| 540 | N | 34.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | trans | 63.4 | 149.5 | 169.6 | -64.7 | -41.4 | 0 | 0 | 0 | 118.5 | ||||
| 541 | N | 32.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 70% | 0.696 | S | S | * | * | cis | 156.3 | 116.5 | -26 | -104.2 | -38.6 | 0 | 0 | 0 | 106 | ||||
| 542 | L | 32.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 129 Ų | 129 | 92% | 0.921 | 70% | 0.696 | S | S | * | * | trans | -163.2 | 142.3 | 149.4 | -113.4 | 163.9 | 0 | 0 | 0 | 110.7 | ||||
| 543 | N | 31 | Very low | 31.3 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | -98.4 | 158.1 | -164.6 | -59.8 | -50.8 | 0 | 0 | 0 | 113.2 | ||||
| 544 | K | 35.2 | Very low | 31.2 | Very low | 212 Ų | 212 | 131.1 Ų | 131.1 | 92% | 0.922 | 70% | 0.701 | S | S | * | * | trans | -145.4 | 150 | 141 | -113.7 | 169.8 | -173.9 | 177.7 | 0 | 110.9 | ||||
| 545 | E | 30.7 | Very low | 31 | Very low | 159 Ų | 159 | 131 Ų | 131 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | trans | -90.4 | 144 | -155.2 | -62.1 | 168.2 | 88.8 | 0 | 0 | 114.6 | ||||
| 546 | S | 31.2 | Very low | 30.7 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -142.4 | 134.1 | 142.8 | 55.1 | 0 | 0 | 0 | 0 | 108.7 | I548 | S546-I548 PolarHBondContact O-N 2.77Š| ||
| 547 | R | 28.9 | Very low | 30.5 | Very low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -84.2 | 102.7 | -165.7 | -68.2 | 179.7 | -179.2 | 163.5 | 1.5 | 111.4 | ||||
| 548 | I | 30.2 | Very low | 29.9 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | trans | -109.4 | 116.3 | 171.4 | -49.7 | -179.8 | 0 | 0 | 0 | 109.4 | S546 I550 | S546-I548 PolarHBondContact O-N 2.77Å; I548-I550 HydrophobicContact CB-CG1 4.39Å; I548-I550 HydrophobicContact CG2-CD1 4.17Å; I548-I550 HydrophobicContact CG2-CG1 3.61Å; I548-I550 PolarHBondContact O-N 2.69Å; I548-I550 VanDerWaalsContact O-N 3.09Å | ||
| 549 | C | 26.3 | Very low | 29.7 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 91% | 0.912 | 76% | 0.755 | S | S | * | * | trans | -79.1 | 86.5 | 172.3 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 550 | I | 29.1 | Very low | 29.3 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 65% | 0.651 | 76% | 0.764 | S | S | * | * | trans | -94.3 | 116.2 | 168.6 | -50.1 | -176.4 | 0 | 0 | 0 | 108.9 | I548 T552 | I548-I550 HydrophobicContact CB-CG1 4.39Å; I548-I550 HydrophobicContact CG2-CD1 4.17Å; I548-I550 HydrophobicContact CG2-CG1 3.61Å; I548-I550 PolarHBondContact O-N 2.69Å; I548-I550 VanDerWaalsContact O-N 3.09Å; I550-T552 HydrophobicContact CG2-CG2 3.9Å | ||
| 551 | S | 28.7 | Very low | 29.1 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -102.1 | 84.8 | 165.7 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | T553 | S551-T553 PolarHBondContact O-N 3.32Š| ||
| 552 | T | 28.4 | Very low | 28.9 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | trans | -70.6 | 118.1 | 169.7 | 38.2 | 0 | 0 | 0 | 0 | 110.4 | I550 | I550-T552 HydrophobicContact CG2-CG2 3.9Š| ||
| 553 | T | 29.3 | Very low | 28.7 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -134.7 | 74.7 | 155.4 | 56.8 | 0 | 0 | 0 | 0 | 108.3 | S551 C555 | S551-T553 PolarHBondContact O-N 3.32Å; T553-C555 PolarHBondContact O-N 2.64Å | ||
| 554 | D | 27.2 | Very low | 28.6 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -67.4 | 123.7 | 162.5 | -72.3 | -56.9 | 0 | 0 | 0 | 108.6 | ||||
| 555 | C | 28.4 | Very low | 28.2 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -130.3 | 86 | 171.2 | -76.7 | 0 | 0 | 0 | 0 | 108.7 | T553 H557 | T553-C555 PolarHBondContact O-N 2.64Å; C555-H557 PolarHBondContact O-N 2.93Å | ||
| 556 | Y | 25.6 | Very low | 28.1 | Very low | 210 Ų | 210 | 140.7 Ų | 140.7 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -60.6 | 123.9 | 157.8 | -81.3 | -98.5 | 0 | 0 | 0 | 108.2 | ||||
| 557 | H | 29.6 | Very low | 28 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | trans | -123.3 | 89 | 166.3 | -125.2 | -83.1 | 0 | 0 | 0 | 109.7 | C555 S559 | C555-H557 PolarHBondContact O-N 2.93Å; H557-S559 PolarHBondContact ND1-OG 3.39Å | ||
| 558 | I | 23 | Very low | 28.1 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -87.2 | 111.5 | 156.8 | -61.5 | 172.9 | 0 | 0 | 0 | 105.4 | ||||
| 559 | S | 28.2 | Very low | 28.2 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | trans | -150.6 | 89.7 | 174.3 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | H557 | H557-S559 PolarHBondContact ND1-OG 3.39Š| ||
| 560 | V | 25.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -85.8 | 121.2 | 162.7 | 174.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 561 | S | 30.3 | Very low | 28.5 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -167.7 | 121.7 | 159.8 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 562 | D | 27.5 | Very low | 28.6 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -75.3 | -173.5 | 176.8 | -61.5 | -84.2 | 0 | 0 | 0 | 113.2 | ||||
| 563 | N | 28.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 79.9 | 146.7 | 159.2 | -64.5 | -46.9 | 0 | 0 | 0 | 116.8 | ||||
| 564 | Q | 28.9 | Very low | 28.7 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | cis | -151.9 | 146 | 4.6 | -132.8 | 157.2 | 52.3 | 0 | 0 | 111.2 | ||||
| 565 | I | 27.7 | Very low | 29 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -132.9 | 113.6 | 153.2 | -64.2 | -175.7 | 0 | 0 | 0 | 108.1 | ||||
| 566 | F | 27.6 | Very low | 29.1 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 14.8 | 117.8 | 156.7 | -71.1 | -99 | 0 | 0 | 0 | 118.5 | ||||
| 567 | N | 28.7 | Very low | 29.3 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | -163.2 | 145.2 | 100.5 | -109.1 | -27.3 | 0 | 0 | 0 | 115.8 | |||||
| 568 | H | 31.9 | Very low | 29.4 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 70% | 0.704 | 75% | 0.751 | S | S | * | * | trans | 65.3 | 115.6 | 152.6 | -80.6 | -67.8 | 0 | 0 | 0 | 122.9 | ||||
| 569 | N | 31 | Very low | 29.6 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | 105.4 | 107.9 | 127.7 | -66.1 | -7.2 | 0 | 0 | 0 | 121.3 | |||||
| 570 | N | 31.9 | Very low | 29.8 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | 82.1 | 126.6 | 129.2 | -60.6 | -3.9 | 0 | 0 | 0 | 120.9 | |||||
| 571 | G | 30.9 | Very low | 29.8 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | 90.7 | 132.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 572 | G | 30.2 | Very low | 29.7 | Very low | 65 Ų | 65 | 138.9 Ų | 138.9 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | cis | 154.5 | 142.3 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 573 | N | 31.9 | Very low | 29.8 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | 70 | 154.9 | -177.9 | -53.9 | -15.3 | 0 | 0 | 0 | 115.6 | ||||
| 574 | I | 29.3 | Very low | 29.9 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | cis | 176 | 161.4 | -44.6 | -97.9 | 160.9 | 0 | 0 | 0 | 105.8 | ||||
| 575 | H | 32.9 | Very low | 29.8 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | 73.5 | 137.3 | -174.3 | -59 | -70.3 | 0 | 0 | 0 | 114.9 | ||||
| 576 | E | 30.7 | Very low | 29.8 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -147.8 | 174.2 | -12.5 | -154.2 | 131 | -119.3 | 0 | 0 | 114.1 | ||||
| 577 | R | 29 | Very low | 30.1 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | trans | -91.5 | 143.4 | -167.7 | -53.2 | 143.7 | 161.6 | 169.6 | -8.3 | 112.5 | ||||
| 578 | S | 32.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | 179.7 | 128.8 | 121.9 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 579 | N | 27.8 | Very low | 30.2 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | 54.2 | 134.7 | 69.4 | -58.5 | -10 | 0 | 0 | 0 | 111 | |||||
| 580 | I | 31 | Very low | 30.3 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -140.7 | 148.8 | 34.9 | -72 | 169.5 | 0 | 0 | 0 | 111.1 | ||||
| 581 | S | 25.5 | Very low | 30.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -100.8 | 141.7 | 162.4 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 582 | S | 28.5 | Very low | 30.3 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | 179.7 | 163.1 | 156.8 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 583 | N | 30 | Very low | 30.3 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 69.4 | 142.9 | 161.2 | -58.4 | -29.5 | 0 | 0 | 0 | 117.2 | ||||
| 584 | L | 30.8 | Very low | 30.4 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -150.7 | 150.3 | -5.3 | -122.8 | 165.8 | 0 | 0 | 0 | 109.6 | ||||
| 585 | S | 25.9 | Very low | 30.4 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -94.7 | 166.5 | 169.2 | 59 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 586 | S | 28 | Very low | 30.4 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 112.8 | 165.9 | 75.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 587 | K | 33.9 | Very low | 30.5 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 173.4 | 92.7 | 137.5 | -96.5 | 165.2 | -176.2 | 179.6 | 0 | 106.9 | ||||
| 588 | Q | 32.4 | Very low | 30.8 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | 60.9 | 121.8 | 78.3 | -68.7 | -158.5 | 8.5 | 0 | 0 | 115.6 | |||||
| 589 | K | 30.5 | Very low | 30.7 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 53.4 | 116.2 | 150.6 | -65.1 | -179.4 | 176.7 | 178.6 | 0 | 119.3 | ||||
| 590 | L | 32.8 | Very low | 30.9 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -141.8 | 127.1 | 131.6 | -112.3 | 166.2 | 0 | 0 | 0 | 108.8 | ||||
| 591 | N | 29.4 | Very low | 31.1 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -93.3 | 151.8 | 173.2 | -68 | -8.7 | 0 | 0 | 0 | 108.9 | ||||
| 592 | G | 33.8 | Very low | 31.3 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -172.9 | 105.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 593 | S | 30.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -71.5 | 138.9 | -173.3 | -47.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 594 | I | 33.6 | Very low | 31.2 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -129.3 | 134.6 | 135 | -63.8 | -174.8 | 0 | 0 | 0 | 107.1 | ||||
| 595 | Q | 28.6 | Very low | 31.2 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -151.8 | 129.5 | -170.8 | 175.8 | 177.7 | -1.3 | 0 | 0 | 107.4 | ||||
| 596 | N | 32.8 | Very low | 31.4 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 165.1 | 128 | 150.3 | -87.4 | -19 | 0 | 0 | 0 | 112.2 | ||||
| 597 | N | 32.8 | Very low | 31.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 63.2 | 147.1 | 149.5 | -52.6 | -19.4 | 0 | 0 | 0 | 117.8 | ||||
| 598 | I | 36.5 | Very low | 31.3 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | cis | -118.7 | 151.4 | 20.8 | -67.5 | 167.3 | 0 | 0 | 0 | 111.6 | ||||
| 599 | N | 29.9 | Very low | 31.3 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | -93.8 | 167.9 | -178.1 | -64.4 | -44.8 | 0 | 0 | 0 | 113.2 | ||||
| 600 | S | 31.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 67.1 | 154.5 | 146.7 | 59.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 601 | E | 33.8 | Very low | 31.3 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | cis | -131.1 | 141.6 | 18.5 | -79.8 | -173.5 | 138.6 | 0 | 0 | 112.5 | ||||
| 602 | I | 31.7 | Very low | 31.6 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | 63.5 | 106.8 | 109.2 | -54.5 | 174.3 | 0 | 0 | 0 | 112.8 | |||||
| 603 | S | 27.1 | Very low | 31.8 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | 100.3 | 136.6 | 50.1 | -74.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 604 | Q | 28.8 | Very low | 31.8 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 160.5 | 162.8 | -60.8 | 153.5 | 7.7 | 0 | 0 | 114.9 | ||||
| 605 | S | 31.2 | Very low | 31.8 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | cis | -142.9 | 157.9 | 9.2 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 606 | S | 30.4 | Very low | 31.9 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | trans | 23.7 | 124.5 | 144.4 | 55.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 607 | N | 26.4 | Very low | 32 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | 54.8 | 123.8 | 87.4 | -63.2 | -12.3 | 0 | 0 | 0 | 115.1 | |||||
| 608 | D | 32.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | -167 | 126.5 | 120.3 | -94.8 | -14.1 | 0 | 0 | 0 | 110.4 | |||||
| 609 | Q | 31.4 | Very low | 31.8 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | 66.8 | 101.1 | 100.3 | -65.6 | -176.6 | 58.6 | 0 | 0 | 112.7 | |||||
| 610 | S | 29.1 | Very low | 32 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | 82.5 | 119.7 | 66.4 | 70.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 611 | D | 33.6 | Very low | 32.1 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | -174 | 165 | 113.2 | -99 | 7.1 | 0 | 0 | 0 | 114.3 | |||||
| 612 | P | 37.4 | Very low | 32.2 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 51% | 0.506 | 71% | 0.714 | S | S | . | * | trans | -133.7 | 167.6 | -154.6 | 42.3 | -26.2 | 0 | 0 | 0 | 117.3 | I614 | P612-I614 HydrophobicContact CB-CG1 4.41Å; P612-I614 HydrophobicContact CG-CD1 4.06Å; P612-I614 HydrophobicContact CG-CG1 4.18Å | ||
| 613 | H | 36.6 | Very low | 32.1 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | trans | -136.1 | 114.4 | 149.1 | -73 | -72.9 | 0 | 0 | 0 | 107.2 | ||||
| 614 | I | 31.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | cis | 75.4 | 103.9 | 45.4 | -54.1 | 179.7 | 0 | 0 | 0 | 113.3 | P612 | P612-I614 HydrophobicContact CB-CG1 4.41Å; P612-I614 HydrophobicContact CG-CD1 4.06Å; P612-I614 HydrophobicContact CG-CG1 4.18Å | ||
| 615 | M | 33.2 | Very low | 32.4 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 89% | 0.892 | 72% | 0.716 | S | S | * | * | trans | 141.9 | 79.8 | 155 | -81 | -167.4 | -179.7 | 0 | 0 | 108.5 | ||||
| 616 | N | 30.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | 64 | 105.9 | 58.6 | -166 | 24.3 | 0 | 0 | 0 | 113.6 | N618 | N616-N618 PolarHBondContact OD1-ND2 3.18Š| |||
| 617 | N | 34.5 | Very low | 32.5 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -158.7 | 155.5 | 136.7 | -109.6 | -27.8 | 0 | 0 | 0 | 111 | ||||
| 618 | N | 30.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 57% | 0.572 | 73% | 0.729 | S | S | * | * | trans | -114.7 | -172.3 | -153 | -77.1 | -67.1 | 0 | 0 | 0 | 114.9 | N616 | N616-N618 PolarHBondContact OD1-ND2 3.18Š| ||
| 619 | H | 35 | Very low | 32.2 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.676 | 73% | 0.729 | S | S | * | * | trans | 88.4 | 136.9 | 161.9 | -50.2 | -71.1 | 0 | 0 | 0 | 116.3 | ||||
| 620 | H | 34.2 | Very low | 32 | Very low | 137 Ų | 137 | 138 Ų | 138 | 63% | 0.634 | 73% | 0.729 | S | S | * | * | cis | -161 | 142.1 | -7.8 | -116.2 | -45.1 | 0 | 0 | 0 | 110.8 | ||||
| 621 | H | 33.8 | Very low | 32 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | trans | 58.3 | 156.2 | 154.7 | -65.9 | -60.5 | 0 | 0 | 0 | 119.2 | ||||
| 622 | H | 35 | Very low | 31.6 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | cis | -143.6 | 161.7 | 4.8 | -129.3 | -60.6 | 0 | 0 | 0 | 111.4 | ||||
| 623 | N | 30.3 | Very low | 31.2 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -45 | 155.1 | 165.6 | -66.9 | -0.7 | 0 | 0 | 0 | 112.7 | ||||
| 624 | N | 32.7 | Very low | 30.7 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | -162.9 | 162.1 | 59 | -131.8 | -11 | 0 | 0 | 0 | 115.6 | |||||
| 625 | N | 29.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 146 Ų | 146 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -73.9 | 155.9 | 170.9 | -62.7 | -42.9 | 0 | 0 | 0 | 111.8 | ||||
| 626 | N | 33.1 | Very low | 30.4 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | -172.2 | 164.8 | 114.6 | -96.7 | -25.8 | 0 | 0 | 0 | 114.8 | |||||
| 627 | N | 31.6 | Very low | 30.4 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -84.9 | 161.3 | -166.6 | -70.5 | -47.7 | 0 | 0 | 0 | 115.4 | ||||
| 628 | C | 26.3 | Very low | 30.3 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | trans | 70.6 | 121.1 | 139.1 | -79.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 629 | V | 26.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | 84.5 | 136.6 | 123.5 | 172.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 630 | N | 26.3 | Very low | 30 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 76.6 | 168.1 | 165 | -73.1 | -9.8 | 0 | 0 | 0 | 120.3 | ||||
| 631 | D | 29.1 | Very low | 29.7 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | 64.3 | 123.2 | 175 | -53.2 | -16.1 | 0 | 0 | 0 | 117.3 | ||||
| 632 | L | 24.9 | Very low | 29.5 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | cis | 66.3 | 61.5 | 2.4 | -116.2 | 178.9 | 0 | 0 | 0 | 116 | ||||
| 633 | W | 28.3 | Very low | 29 | Very low | 204 Ų | 204 | 136.6 Ų | 136.6 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | -172.9 | 156.6 | 119.8 | -104.6 | 37.2 | 0 | 0 | 0 | 115.2 | |||||
| 634 | K | 27.7 | Very low | 29 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 57% | 0.574 | 75% | 0.746 | S | S | * | * | trans | 6.8 | 130.5 | 158.3 | -58.6 | 172 | -175.9 | 163.8 | 0 | 119.9 | ||||
| 635 | L | 30.1 | Very low | 28.7 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 95% | 0.948 | 74% | 0.742 | S | S | * | * | trans | -108.9 | 106.6 | 136.7 | -89.6 | 169.2 | 0 | 0 | 0 | 110 | ||||
| 636 | N | 28.6 | Very low | 28.8 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -83 | 157.2 | 165.3 | -85.5 | -16.7 | 0 | 0 | 0 | 109.7 | ||||
| 637 | G | 30.4 | Very low | 28.5 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | 123.3 | 92.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 638 | S | 31.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | -160.8 | 129.3 | 139.7 | -83.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 639 | S | 30.1 | Very low | 28.6 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | trans | -121 | 136 | -163.1 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 640 | S | 29.6 | Very low | 28.8 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 44% | 0.441 | 73% | 0.73 | S | S | . | * | trans | -162 | 100.3 | 159.2 | -72.5 | 0 | 0 | 0 | 0 | 105.4 | Q1110 | S640-Q1110 PolarHBondContact OG-NE2 2.89Š| ||
| 641 | I | 29 | Very low | 28.9 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | 54.5 | 87 | 58.5 | -48.8 | -175.8 | 0 | 0 | 0 | 112.1 | |||||
| 642 | S | 28.3 | Very low | 29 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -138.5 | 70 | 146.1 | 51 | 0 | 0 | 0 | 0 | 109.4 | I644 | S642-I644 PolarHBondContact O-N 3.24Š| ||
| 643 | R | 25.8 | Very low | 29 | Very low | 233 Ų | 233 | 139.3 Ų | 139.3 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -65.5 | 114.8 | 159.4 | -74 | -179.1 | 179.4 | 167.1 | -1.3 | 107.4 | ||||
| 644 | I | 29.9 | Very low | 29.1 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -110.7 | 97.9 | 151.7 | -63.6 | -175.8 | 0 | 0 | 0 | 106.3 | S642 T646 | S642-I644 PolarHBondContact O-N 3.24Å; I644-T646 HydrophobicContact CG2-CG2 3.96Å | ||
| 645 | N | 26 | Very low | 29 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -92.9 | 105.3 | 169.7 | 177.3 | 24.9 | 0 | 0 | 0 | 107.6 | ||||
| 646 | T | 31.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | -130.3 | 81.8 | 170.3 | 53.5 | 0 | 0 | 0 | 0 | 109.6 | I644 N648 | I644-T646 HydrophobicContact CG2-CG2 3.96Å; T646-N648 PolarHBondContact O-N 3.13Å | ||
| 647 | N | 26.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | -52.2 | 131.3 | 146.6 | -72.8 | -26.6 | 0 | 0 | 0 | 108.2 | ||||
| 648 | N | 30.1 | Very low | 28.6 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | 172.6 | 131 | 130.6 | -92.3 | -7.6 | 0 | 0 | 0 | 111.9 | T646 | T646-N648 PolarHBondContact O-N 3.13Š| ||
| 649 | H | 31.6 | Very low | 28.5 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | 47.9 | 139.8 | 153.9 | -62.6 | -83 | 0 | 0 | 0 | 120.2 | ||||
| 650 | S | 30.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -175.1 | 148.9 | -9.9 | 47.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 651 | S | 28.4 | Very low | 28.4 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 55 | 126.6 | 156.4 | -53.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 652 | F | 30.1 | Very low | 28.3 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | -150.1 | 143.6 | 55.1 | -112.6 | -97.2 | 0 | 0 | 0 | 113.2 | |||||
| 653 | R | 25.3 | Very low | 28.4 | Very low | 229 Ų | 229 | 136.1 Ų | 136.1 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -82.9 | 147.8 | 158.5 | -72.2 | 176.7 | 168.6 | -176.7 | -3.6 | 110 | ||||
| 654 | K | 29.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 127.2 Ų | 127.2 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | 173.6 | 127.7 | 127.3 | -91.6 | 158.8 | -179.3 | -171.8 | 0 | 108.3 | |||||
| 655 | S | 25.8 | Very low | 28.5 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 54% | 0.538 | 68% | 0.68 | S | S | . | * | cis | 98.3 | 139.4 | 21.6 | 76.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 656 | F | 28.6 | Very low | 28.6 | Very low | 189 Ų | 189 | 122.9 Ų | 122.9 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | trans | 71.3 | 131.2 | -177.7 | -50.1 | -79 | 0 | 0 | 0 | 114.2 | ||||
| 657 | S | 25.1 | Very low | 28.5 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | cis | 100.4 | 151.3 | 15.5 | 82.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 658 | S | 27.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | trans | 66 | 149.7 | 175.3 | 17.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 659 | S | 30.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 74% | 0.741 | 68% | 0.682 | S | S | * | * | cis | -161.5 | 177.2 | -5.1 | 42.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 660 | N | 26.9 | Very low | 28.2 | Very low | 144 Ų | 144 | 115.5 Ų | 115.5 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | trans | -50.1 | 175.8 | 168.4 | -40.9 | -31.9 | 0 | 0 | 0 | 113.6 | ||||
| 661 | L | 29.9 | Very low | 28.2 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | cis | -177.7 | 169.5 | 32.8 | -162.6 | 74.4 | 0 | 0 | 0 | 110.6 | ||||
| 662 | S | 27.7 | Very low | 28.4 | Very low | 56 Ų | 56 | 118.5 Ų | 118.5 | 39% | 0.392 | 69% | 0.686 | S | S | . | * | trans | 52.1 | 147.4 | 141.8 | 57.2 | 0 | 0 | 0 | 0 | 125.1 | K746 S747 | S662-K746 CarbonylContact C-O 3.53Å; S662-K746 VanDerWaalsContact C-O 3.23Å; S662-S747 WeakPolarHBondContact O-CB 3.27Å; S662-S747 PolarHBondContact O-OG 2.87Å | ||
| 663 | T | 29.6 | Very low | 28.5 | Very low | 80 Ų | 80 | 114.2 Ų | 114.2 | 49% | 0.491 | 68% | 0.679 | S | S | . | * | cis | -178.1 | 145.4 | -19.4 | 37.8 | 0 | 0 | 0 | 0 | 112.9 | I744 N745 | T663-I744 HydrophobicContact CG2-CG2 3.5Å; T663-N745 CarbonylContact C-O 3.59Å | ||
| 664 | S | 29 | Very low | 28.8 | Very low | 47 Ų | 47 | 109 Ų | 109 | 33% | 0.329 | 67% | 0.673 | S | S | . | * | trans | 109.2 | 128.8 | 139 | 80.5 | 0 | 0 | 0 | 0 | 121.5 | N745 K746 | S664-N745 PolarHBondContact N-O 3.42Å; S664-K746 VanDerWaalsContact O-CD 3.32Å; S664-K746 WeakPolarHBondContact O-CD 3.37Å; S664-K746 WeakPolarHBondContact O-CE 3.34Å; S664-K746 PolarHBondContact O-NZ 3.14Å | ||
| 665 | T | 28.6 | Very low | 28.8 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | trans | 56.3 | 161.6 | 141 | 35.9 | 0 | 0 | 0 | 0 | 122.2 | K746 | T665-K746 PolarHBondContact O-NZ 2.78Š| ||
| 666 | S | 28.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 107.9 Ų | 107.9 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | cis | -159.7 | 173.2 | -8.7 | 45.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 667 | S | 28.4 | Very low | 29.3 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | 67.1 | 118.6 | 140.4 | 56.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 668 | S | 26.3 | Very low | 29.6 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | 71.9 | 136.1 | 131 | 64.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 669 | A | 29.6 | Very low | 29.9 | Very low | 96 Ų | 96 | 109.6 Ų | 109.6 | 79% | 0.793 | 67% | 0.666 | S | S | * | * | trans | 67.2 | 153.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 670 | S | 26.9 | Very low | 30 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | cis | -166.9 | 175.7 | -25.1 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 671 | S | 30.2 | Very low | 30.2 | Very low | 95 Ų | 95 | 114.7 Ų | 114.7 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | trans | 81.1 | 128.2 | 156.2 | 87.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 672 | L | 32.3 | Very low | 30.2 | Very low | 162 Ų | 162 | 116.9 Ų | 116.9 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | 67.7 | 144.4 | 135.3 | -61.4 | 165.1 | 0 | 0 | 0 | 120 | ||||
| 673 | S | 31.2 | Very low | 30.3 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | cis | -168.5 | -174.9 | -15.6 | 63.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 674 | T | 33.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | cis | -166.1 | 160.9 | -2.6 | -132.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 675 | S | 29.8 | Very low | 30.5 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | cis | -170 | -141.7 | -22.4 | -86.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 676 | I | 32.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | 72.5 | 86.5 | 172.1 | -45.9 | -177.2 | 0 | 0 | 0 | 114.3 | ||||
| 677 | I | 31.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 65% | 0.646 | 74% | 0.735 | S | S | * | * | 74.5 | 117 | 55.4 | -50.7 | 157.6 | 0 | 0 | 0 | 110.6 | |||||
| 678 | M | 32.2 | Very low | 30.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | -159.5 | 167 | 69.3 | -58.4 | -95.3 | -176.6 | 0 | 0 | 110.1 | |||||
| 679 | K | 32.8 | Very low | 30.8 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | cis | -170.3 | 139.6 | -21.6 | -105.3 | 179.8 | 177.4 | 169.5 | 0 | 109.8 | ||||
| 680 | H | 32.8 | Very low | 30.7 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | 56.4 | 157.9 | 151.2 | -60 | -54.2 | 0 | 0 | 0 | 120.7 | ||||
| 681 | K | 31.3 | Very low | 30.8 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | cis | -141.9 | 163.7 | 3 | -140.8 | 174.4 | -176.9 | -169.3 | 0 | 111.2 | ||||
| 682 | F | 28.8 | Very low | 30.7 | Very low | 175 Ų | 175 | 134 Ų | 134 | 77% | 0.768 | 71% | 0.708 | S | S | * | * | trans | -81.7 | 163.3 | 174.6 | -90.9 | -123.1 | 0 | 0 | 0 | 112 | ||||
| 683 | D | 30.8 | Very low | 30.5 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | -172.9 | 124.6 | 120.8 | -87.4 | -21.8 | 0 | 0 | 0 | 112.3 | |||||
| 684 | P | 32.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -126.2 | 141.9 | 166.7 | 37.1 | -25.2 | 0 | 0 | 0 | 113.2 | ||||
| 685 | L | 31.5 | Very low | 30.1 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 88% | 0.88 | 72% | 0.716 | S | S | * | * | trans | -169 | 176.3 | 159.8 | -110.7 | 166.6 | 0 | 0 | 0 | 115.4 | ||||
| 686 | N | 27.8 | Very low | 30 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | -68.7 | 170.2 | -170.9 | -78.7 | -40 | 0 | 0 | 0 | 117.5 | ||||
| 687 | S | 29.4 | Very low | 29.8 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 52% | 0.524 | 73% | 0.727 | S | S | . | * | cis | -137.4 | -82.5 | -5.7 | 27.6 | 0 | 0 | 0 | 0 | 114.1 | K521 | K521-S687 PolarHBondContact NZ-O 2.98Š| ||
| 688 | S | 29.9 | Very low | 29.6 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 48% | 0.476 | 73% | 0.728 | S | S | . | * | cis | -149.1 | 130.8 | -40.5 | 11.1 | 0 | 0 | 0 | 0 | 111.6 | I519 | I519-S688 WeakPolarHBondContact CG2-O 3.34Š| ||
| 689 | N | 30.5 | Very low | 29.5 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | trans | 54.6 | 113.5 | 145.7 | -61.7 | 9.1 | 0 | 0 | 0 | 127.1 | I519 | I519-N689 VanDerWaalsContact CD1-O 3.22Å; I519-N689 WeakPolarHBondContact CD1-O 3.46Å; I519-N689 VanDerWaalsContact CG2-O 3.28Å; I519-N689 WeakPolarHBondContact CG2-O 3.26Å | ||
| 690 | L | 27.5 | Very low | 29.5 | Very low | 112 Ų | 112 | 133 Ų | 133 | 59% | 0.586 | 72% | 0.721 | S | S | * | * | 67 | 153.5 | 126.3 | -84.3 | 66.9 | 0 | 0 | 0 | 120.7 | |||||
| 691 | I | 29.5 | Very low | 29.4 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | cis | -157.2 | 179.4 | -16.5 | -137 | 173.9 | 0 | 0 | 0 | 112.4 | ||||
| 692 | Q | 26.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 73% | 0.729 | 71% | 0.707 | S | S | * | * | trans | -47.5 | 156 | -179.8 | -49.6 | 129.8 | -34.2 | 0 | 0 | 117.8 | ||||
| 693 | S | 29.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | -162.5 | 153.8 | 120.7 | 37.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 694 | N | 26.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 121.1 Ų | 121.1 | 91% | 0.914 | 68% | 0.679 | S | S | * | * | trans | -108.7 | 149.3 | -176.3 | -70.5 | -41.9 | 0 | 0 | 0 | 111.7 | ||||
| 695 | G | 30.1 | Very low | 30.1 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | trans | 166.1 | 92.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 696 | S | 26.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 121 Ų | 121 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | 53.2 | 88.5 | 68.9 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 697 | L | 28.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | -154.1 | 131.2 | 129.8 | -113.2 | 80.8 | 0 | 0 | 0 | 104.6 | |||||
| 698 | N | 27.4 | Very low | 30 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | 56.4 | 126.9 | 82.9 | -68.2 | -24.2 | 0 | 0 | 0 | 112.5 | |||||
| 699 | H | 30.4 | Very low | 29.9 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | cis | -155.3 | 179.3 | 13.5 | -87.4 | -20.8 | 0 | 0 | 0 | 107.8 | ||||
| 700 | F | 31.4 | Very low | 30 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 57% | 0.57 | 70% | 0.701 | S | S | * | * | cis | -153.4 | 144.1 | -6.7 | -126.3 | -150.9 | 0 | 0 | 0 | 107.2 | ||||
| 701 | Y | 32.3 | Very low | 30 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | 67.3 | 150.6 | 109.4 | -72 | -150 | 0 | 0 | 0 | 115.9 | K703 | Y701-K703 HydrophobicContact CD1-CD 3.71Å; Y701-K703 HydrophobicContact CD2-CD 4.2Å; Y701-K703 HydrophobicContact CE1-CD 3.65Å; Y701-K703 HydrophobicContact CE2-CD 4.17Å; Y701-K703 HydrophobicContact CG-CD 3.98Å; Y701-K703 HydrophobicContact CG-CG 4.39Å; Y701-K703 PolarHBondContact OH-NZ 3.03Å | |||
| 702 | G | 32.9 | Very low | 30.1 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | cis | -108.9 | 157.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 703 | K | 32.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 55% | 0.548 | 71% | 0.711 | S | S | . | * | cis | 80.4 | 141.9 | 37.1 | -67.4 | -165.1 | 144.7 | -162.4 | 0 | 114 | Y701 | Y701-K703 HydrophobicContact CD1-CD 3.71Å; Y701-K703 HydrophobicContact CD2-CD 4.2Å; Y701-K703 HydrophobicContact CE1-CD 3.65Å; Y701-K703 HydrophobicContact CE2-CD 4.17Å; Y701-K703 HydrophobicContact CG-CD 3.98Å; Y701-K703 HydrophobicContact CG-CG 4.39Å; Y701-K703 PolarHBondContact OH-NZ 3.03Å | ||
| 704 | D | 33.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 128 Ų | 128 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | cis | -151.1 | 170.6 | -1.6 | -109.2 | -13.6 | 0 | 0 | 0 | 111.5 | ||||
| 705 | P | 38 | Very low | 30.4 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 53% | 0.532 | 66% | 0.66 | S | S | . | * | trans | -129.7 | -127 | -150.4 | 44.5 | -26.8 | 0 | 0 | 0 | 113.2 | ||||
| 706 | Y | 31 | Very low | 30.4 | Very low | 183 Ų | 183 | 125.5 Ų | 125.5 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | trans | 85.8 | 145.8 | 172.2 | -56.5 | -56.4 | 0 | 0 | 0 | 116.9 | ||||
| 707 | Q | 30.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | cis | -144.7 | 152.7 | -1.2 | -138.4 | 154.3 | 45.2 | 0 | 0 | 113.2 | ||||
| 708 | Q | 25 | Very low | 30.5 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | trans | -101 | 151.7 | 163.9 | -61 | 169.9 | -46.1 | 0 | 0 | 109 | ||||
| 709 | Q | 29.1 | Very low | 30.5 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 65% | 0.653 | S | S | * | * | trans | -166.6 | 159.3 | 143.3 | -112.7 | 165.5 | 37.6 | 0 | 0 | 112.7 | ||||
| 710 | S | 30.7 | Very low | 30.6 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | 40.5 | 112.8 | 164.6 | 53.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 711 | I | 29.2 | Very low | 30.5 | Very low | 151 Ų | 151 | 125 Ų | 125 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | 50.5 | 89 | 53.2 | -45.6 | 178 | 0 | 0 | 0 | 112.5 | |||||
| 712 | N | 29.9 | Very low | 30.5 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | -143.9 | -176.6 | 115.2 | -89.7 | -44.8 | 0 | 0 | 0 | 107.7 | |||||
| 713 | N | 29.2 | Very low | 30.3 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 58% | 0.578 | 68% | 0.684 | S | S | * | * | trans | -73.5 | -110.6 | -156.7 | -150 | -41.4 | 0 | 0 | 0 | 118.8 | N534 N535 | N534-N713 VanDerWaalsContact C-CG 3.46Å; N534-N713 PolarHBondContact O-ND2 2.89Å; N535-N713 VanDerWaalsContact N-CG 3.26Å; N535-N713 PolarHBondContact N-ND2 3.03Å; N535-N713 PolarHBondContact N-OD1 2.65Å; N535-N713 VanDerWaalsContact O-CB 3.28Å; N535-N713 WeakPolarHBondContact O-CB 3.4Å | ||
| 714 | S | 32.3 | Very low | 30.2 | Very low | 31 Ų | 31 | 133.8 Ų | 133.8 | 22% | 0.217 | 70% | 0.701 | C | S | . | * | 160.2 | 115.5 | 62.4 | -93.2 | 0 | 0 | 0 | 0 | 114.4 | N536 N537 | N536-S714 VanDerWaalsContact C-CA 3.44Å; N536-S714 WeakPolarHBondContact O-CB 3.27Å; N536-S714 PolarHBondContact O-OG 3.42Å; N537-S714 WeakPolarHBondContact CA-O 3.48Å; N537-S714 VanDerWaalsContact N-C 3.31Å; N537-S714 PolarHBondContact OD1-O 3.22Å; N537-S714 VanDerWaalsContact OD1-O 3.1Å | |||
| 715 | T | 28.8 | Very low | 29.9 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 46% | 0.46 | 71% | 0.708 | S | S | . | * | trans | -148.8 | 158.6 | 166.5 | 77.2 | 0 | 0 | 0 | 0 | 118.6 | N535 N536 | N535-T715 VanDerWaalsContact CB-O 3.27Å; N535-T715 WeakPolarHBondContact CB-O 3.39Å; N535-T715 PolarHBondContact ND2-O 3.5Å; N535-T715 VanDerWaalsContact ND2-O 3.16Å; N535-T715 PolarHBondContact OD1-N 3.34Å; N535-T715 VanDerWaalsContact OD1-N 3.11Å; N535-T715 PolarHBondContact OD1-O 2.88Å; N535-T715 PolarHBondContact OD1-OG1 3.38Å; N536-T715 VanDerWaalsContact CA-N 3.29Å; N536-T715 PolarHBondContact OD1-O 3.46Å; N536-T715 VanDerWaalsContact OD1-O 3.1Å | ||
| 716 | L | 30.3 | Very low | 29.6 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 59% | 0.592 | 72% | 0.723 | S | S | * | * | trans | -157.5 | 141.3 | 156.7 | -87.6 | 173.7 | 0 | 0 | 0 | 104.4 | N536 N537 | N536-L716 WeakPolarHBondContact OD1-CB 3.13Å; N536-L716 PolarHBondContact OD1-N 3.44Å; N537-L716 PolarHBondContact ND2-O 3.19Å | ||
| 717 | N | 26.4 | Very low | 29.5 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | cis | 98.1 | 92.2 | 34.6 | -156.3 | 24.7 | 0 | 0 | 0 | 114.8 | ||||
| 718 | C | 29.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | -172.1 | 113.7 | 159 | -90.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 719 | H | 28.8 | Very low | 29.8 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | 83.3 | 85.5 | 66.4 | -89.2 | 62.7 | 0 | 0 | 0 | 117 | |||||
| 720 | S | 32.3 | Very low | 30 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | 178.1 | 103.2 | 145.3 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 721 | N | 28.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | 77.2 | 104.6 | 68.8 | -78.4 | -7.9 | 0 | 0 | 0 | 115.3 | |||||
| 722 | E | 32.2 | Very low | 30.2 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | 160.5 | 90.8 | 145.8 | -93 | 174.6 | -168.8 | 0 | 0 | 107 | ||||
| 723 | Q | 28.2 | Very low | 30.3 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | 71.4 | 146.3 | 63.2 | -65.6 | -158.5 | -5.1 | 0 | 0 | 115.9 | |||||
| 724 | L | 30.7 | Very low | 30.3 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 89% | 0.89 | 70% | 0.699 | S | S | * | * | trans | 95.7 | 82.4 | -171.6 | -59.8 | 170.3 | 0 | 0 | 0 | 114 | ||||
| 725 | N | 27.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | cis | 84.8 | 107 | 30.3 | -162.6 | 20.8 | 0 | 0 | 0 | 115.7 | ||||
| 726 | I | 31.5 | Very low | 30.1 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -177.2 | 101 | 158.4 | -89.2 | 145.4 | 0 | 0 | 0 | 103.1 | ||||
| 727 | N | 28.7 | Very low | 30 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | 55.2 | 135.2 | 78.3 | -73.8 | -21.8 | 0 | 0 | 0 | 114.7 | |||||
| 728 | C | 30.4 | Very low | 30.4 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 64% | 0.635 | 76% | 0.755 | S | S | * | * | cis | -157.3 | 149.3 | 14.1 | -134.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 729 | T | 31.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 33.1 | 149.9 | 141.1 | 55.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 730 | M | 34.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 143 Ų | 143 | 77% | 0.768 | 75% | 0.752 | S | S | * | * | cis | -143.9 | 141.3 | 23 | -96.9 | -144.7 | -176.7 | 0 | 0 | 110.9 | ||||
| 731 | N | 32.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | 63.3 | 144.1 | 87.8 | -52.4 | -7.8 | 0 | 0 | 0 | 114.3 | |||||
| 732 | N | 32.2 | Very low | 30.5 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -167.8 | 166.8 | -10.4 | -100.8 | -6.8 | 0 | 0 | 0 | 106.4 | ||||
| 733 | T | 31.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | cis | -155.6 | 147 | -2.5 | 15.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 734 | L | 28.7 | Very low | 30.4 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | 72 | 135.2 | 66.1 | -143.7 | 89.1 | 0 | 0 | 0 | 114.9 | |||||
| 735 | V | 30.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | 69.9 | 131.7 | 163.9 | 157.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 736 | E | 26.6 | Very low | 30.7 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | cis | -170.4 | -165.3 | -9.3 | -142.8 | -169.5 | 167.4 | 0 | 0 | 112.7 | ||||
| 737 | M | 29.2 | Very low | 30.7 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 84% | 0.837 | 71% | 0.706 | S | S | * | * | trans | 79.8 | 167.6 | 157.4 | -71.6 | 173.8 | -153.7 | 0 | 0 | 120.9 | ||||
| 738 | K | 33.4 | Very low | 30.8 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -134.2 | 142.4 | -157.1 | -57.7 | 163.9 | -178.6 | 162.8 | 0 | 111.9 | ||||
| 739 | K | 29 | Very low | 30.7 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 88% | 0.878 | 72% | 0.721 | S | S | * | * | trans | 62.4 | 169.3 | 158.6 | -85.3 | -168.4 | 173.3 | -165.7 | 0 | 116.8 | ||||
| 740 | P | 35 | Very low | 30.6 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | cis | -129.7 | 178.3 | -34.6 | 36.5 | -20.3 | 0 | 0 | 0 | 113.2 | ||||
| 741 | E | 27.9 | Very low | 30.3 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | 45.6 | 117 | 146.9 | -74.3 | 163.2 | -146.7 | 0 | 0 | 122.6 | ||||
| 742 | A | 29.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 22.8 | 134.5 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 743 | L | 28.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | -165.9 | 152.2 | 128.5 | -103.7 | 166.2 | 0 | 0 | 0 | 112.7 | |||||
| 744 | I | 30.3 | Very low | 30.1 | Very low | 79 Ų | 79 | 143 Ų | 143 | 41% | 0.405 | 74% | 0.735 | S | S | . | * | trans | 78 | 94.3 | 149.8 | -72 | 159.9 | 0 | 0 | 0 | 120.3 | T663 | T663-I744 HydrophobicContact CG2-CG2 3.5Š| ||
| 745 | N | 32.2 | Very low | 30.2 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | -75 | 157.9 | 160.6 | -47.6 | -51.2 | 0 | 0 | 0 | 112.6 | T663 S664 | T663-N745 CarbonylContact C-O 3.59Å; S664-N745 PolarHBondContact N-O 3.42Å | ||
| 746 | K | 32.1 | Very low | 30.4 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 54% | 0.543 | 73% | 0.733 | S | S | . | * | 167.5 | 166.9 | 128.7 | -94.6 | -180 | -170 | 169.5 | 0 | 111.7 | S662 S664 T665 | S662-K746 CarbonylContact C-O 3.53Å; S662-K746 VanDerWaalsContact C-O 3.23Å; S664-K746 VanDerWaalsContact O-CD 3.32Å; S664-K746 WeakPolarHBondContact O-CD 3.37Å; S664-K746 WeakPolarHBondContact O-CE 3.34Å; S664-K746 PolarHBondContact O-NZ 3.14Å; T665-K746 PolarHBondContact O-NZ 2.78Å | |||
| 747 | S | 30.5 | Very low | 30.7 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 49% | 0.49 | 74% | 0.736 | S | S | . | * | trans | 64 | 123.9 | 175.4 | -18.4 | 0 | 0 | 0 | 0 | 115.2 | S662 | S662-S747 WeakPolarHBondContact O-CB 3.27Å; S662-S747 PolarHBondContact O-OG 2.87Å | ||
| 748 | D | 31.3 | Very low | 30.8 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | cis | -135 | 146 | -13.5 | -69.7 | -56.4 | 0 | 0 | 0 | 107 | ||||
| 749 | Q | 27.9 | Very low | 30.8 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | cis | 70.1 | 32.9 | 33.9 | -111 | -177 | 8.6 | 0 | 0 | 116.7 | ||||
| 750 | Q | 29.1 | Very low | 30.9 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | -144.6 | 157 | 144.9 | -109.6 | 158.7 | 74.4 | 0 | 0 | 111 | E752 | Q750-E752 PolarHBondContact O-N 3.07Š| ||
| 751 | M | 28 | Very low | 30.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | trans | 69.9 | 11 | -176.1 | -70.1 | -69.5 | -80.8 | 0 | 0 | 119 | N753 | M751-N753 PolarHBondContact O-N 3.43Š| ||
| 752 | E | 30 | Very low | 31.1 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 90% | 0.897 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 65.1 | 139.9 | -84.3 | -155.5 | 120.2 | 0 | 0 | 109.7 | Q750 | Q750-E752 PolarHBondContact O-N 3.07Š|
| 753 | N | 31.2 | Very low | 31.2 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.7 | 17.8 | 174.4 | -117.7 | -36.5 | 0 | 0 | 0 | 113.9 | M751 | M751-N753 PolarHBondContact O-N 3.43Š|
| 754 | S | 31.8 | Very low | 31.4 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 45% | 0.448 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -139.8 | 161.4 | 165 | 76.6 | 0 | 0 | 0 | 0 | 110.7 | G756 | S754-G756 PolarHBondContact O-N 3.02Š|
| 755 | F | 30.2 | Very low | 31.5 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 58.1 | -2.4 | -173.2 | -76.7 | -83.8 | 0 | 0 | 0 | 118.7 | K757 T758 | F755-K757 PolarHBondContact O-N 2.74Å; F755-K757 VanDerWaalsContact O-N 3.17Å; F755-T758 VanDerWaalsContact CD1-OG1 3.22Å; F755-T758 WeakPolarHBondContact CD1-OG1 3.42Å; F755-T758 WeakPolarHBondContact CE1-OG1 3.35Å |
| 756 | G | 34 | Very low | 31.5 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -15.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 113 | S754 | S754-G756 PolarHBondContact O-N 3.02Š|
| 757 | K | 32.5 | Very low | 31.5 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 79% | 0.787 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 48.1 | 178.1 | -65.9 | -179.2 | 177.3 | 173.9 | 0 | 113.9 | F755 | F755-K757 PolarHBondContact O-N 2.74Å; F755-K757 VanDerWaalsContact O-N 3.17Å |
| 758 | T | 32 | Very low | 31.6 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 44% | 0.436 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.4 | -30.9 | 167.1 | -43.9 | 0 | 0 | 0 | 0 | 114 | F755 M760 S761 | F755-T758 VanDerWaalsContact CD1-OG1 3.22Å; F755-T758 WeakPolarHBondContact CD1-OG1 3.42Å; F755-T758 WeakPolarHBondContact CE1-OG1 3.35Å; T758-M760 PolarHBondContact O-N 3.47Å; T758-S761 PolarHBondContact O-N 2.85Å |
| 759 | K | 32.6 | Very low | 31.5 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 92% | 0.917 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 0.2 | 168.2 | -138.5 | 176 | -174.4 | -179.4 | 0 | 113.6 | ||
| 760 | M | 32.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 27.7 | 178.8 | -145.9 | 173.9 | -157.7 | 0 | 0 | 112.5 | T758 | T758-M760 PolarHBondContact O-N 3.47Š|
| 761 | S | 32.6 | Very low | 31.7 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 53% | 0.531 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -129.6 | 3.1 | -178.1 | -164.1 | 0 | 0 | 0 | 0 | 115 | T758 | T758-S761 PolarHBondContact O-N 2.85Š|
| 762 | I | 34 | Very low | 31.7 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -116.1 | -41.3 | 170 | -69.4 | 177 | 0 | 0 | 0 | 110.6 | N764 | I762-N764 PolarHBondContact O-N 3.17Š|
| 763 | N | 33 | Very low | 31.7 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 36.5 | 171.5 | -66.1 | 16 | 0 | 0 | 0 | 113 | ||
| 764 | N | 32.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 52% | 0.519 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -156.3 | 31.1 | 174.5 | -111.5 | -12.7 | 0 | 0 | 0 | 111.2 | I762 | I762-N764 PolarHBondContact O-N 3.17Š|
| 765 | R | 32.4 | Very low | 31.5 | Very low | 214 Ų | 214 | 145.6 Ų | 145.6 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -144.4 | 20.8 | 177.2 | -138.3 | 174.1 | -174.1 | 173.6 | 1.5 | 115.6 | ||
| 766 | L | 32.3 | Very low | 31.4 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -113.3 | -31.3 | 157.4 | -90 | 163.9 | 0 | 0 | 0 | 111.1 | T768 | L766-T768 PolarHBondContact O-N 2.89Š|
| 767 | D | 31.8 | Very low | 31.2 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 38.3 | 172.1 | -62.6 | -67.2 | 0 | 0 | 0 | 114.3 | ||
| 768 | T | 31.7 | Very low | 31 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 57% | 0.571 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.2 | 25.6 | 172.6 | -8.5 | 0 | 0 | 0 | 0 | 114.8 | L766 | L766-T768 PolarHBondContact O-N 2.89Š|
| 769 | M | 29.8 | Very low | 31 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -124.7 | 33.1 | 168.7 | -83.7 | -170.4 | 166.3 | 0 | 0 | 113 | ||
| 770 | N | 30.8 | Very low | 30.7 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -148.2 | 27.1 | 173 | -135.2 | -11.7 | 0 | 0 | 0 | 114.4 | ||
| 771 | K | 29.8 | Very low | 30.7 | Very low | 209 Ų | 209 | 147.6 Ų | 147.6 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -158.4 | 28.2 | -178.8 | -119.2 | 160.2 | -169.9 | 174 | 0 | 117.3 | ||
| 772 | S | 28.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -151.5 | 46.3 | 176.7 | 66.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 773 | H | 31.5 | Very low | 30.6 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 93% | 0.931 | 78% | 0.778 | S | S | * | * | trans | -123 | 76.5 | 160.8 | -93.8 | -62.4 | 0 | 0 | 0 | 110.9 | ||||
| 774 | K | 28.7 | Very low | 30.6 | Very low | 199 Ų | 199 | 150.4 Ų | 150.4 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | -134.5 | 155.2 | 153 | -85.6 | -166.9 | 172.3 | -174.3 | 0 | 107.9 | ||||
| 775 | S | 29 | Very low | 30.6 | Very low | 106 Ų | 106 | 151.9 Ų | 151.9 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 48 | 91.4 | 178.3 | 57.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 776 | N | 29.2 | Very low | 30.7 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | 173.9 | 88.7 | 108.2 | -84.1 | -13.3 | 0 | 0 | 0 | 112.1 | |||||
| 777 | F | 29.5 | Very low | 30.8 | Very low | 214 Ų | 214 | 149.9 Ų | 149.9 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -145.2 | 129.1 | 142.9 | -129.5 | -83.5 | 0 | 0 | 0 | 109.2 | ||||
| 778 | S | 27.5 | Very low | 31.3 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -104.8 | 132.8 | -173.4 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 779 | K | 31.5 | Very low | 31.3 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | 165.4 | 131.8 | 138.7 | -92.3 | 160.4 | -177.8 | -177.2 | 0 | 110.2 | ||||
| 780 | S | 27.7 | Very low | 31.4 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 50.1 | 123.2 | 152.9 | -58.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 781 | T | 32.1 | Very low | 31.3 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -149.9 | 157.9 | 10.6 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 782 | N | 31 | Very low | 31.2 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 20.8 | 132.1 | 137.4 | -43.6 | -9.7 | 0 | 0 | 0 | 117.5 | ||||
| 783 | N | 32.8 | Very low | 31.2 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | cis | -165.6 | -175.4 | 5.2 | -105.1 | -14.3 | 0 | 0 | 0 | 107.6 | ||||
| 784 | L | 32.5 | Very low | 31 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | cis | -148 | -163.9 | 14.2 | -159 | 50.8 | 0 | 0 | 0 | 111.3 | ||||
| 785 | L | 32.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | -65.5 | 168.2 | 178 | -57.1 | 170.6 | 0 | 0 | 0 | 115.4 | ||||
| 786 | H | 36.1 | Very low | 30.7 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | cis | -147.4 | -161.1 | 7.3 | -133.7 | -32.6 | 0 | 0 | 0 | 114.1 | ||||
| 787 | H | 33.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -107.8 | 163.9 | -157.5 | -118.3 | -124.2 | 0 | 0 | 0 | 116.4 | ||||
| 788 | P | 41.5 | Very low | 30.4 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | trans | -100.3 | -179.8 | 175.4 | 41.4 | -35.4 | 0 | 0 | 0 | 113.1 | ||||
| 789 | N | 32.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | trans | 164.7 | 165.1 | 155.8 | -88.4 | -12.9 | 0 | 0 | 0 | 110.3 | ||||
| 790 | M | 31.3 | Very low | 30.4 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | cis | -165.1 | 157.6 | -14.6 | -100.7 | -93.9 | 166.1 | 0 | 0 | 111.1 | ||||
| 791 | L | 28.7 | Very low | 30.5 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | 58.8 | 131.9 | 144.2 | -66.6 | 165.4 | 0 | 0 | 0 | 125.1 | ||||
| 792 | N | 28.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | 85.8 | 122.2 | 126 | -73.2 | 0.7 | 0 | 0 | 0 | 125.3 | |||||
| 793 | N | 27.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | 74.6 | 105.6 | 125 | -64.5 | -2.4 | 0 | 0 | 0 | 123.3 | |||||
| 794 | S | 27.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | 92.7 | 159.8 | 114.3 | 80.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 795 | S | 26.2 | Very low | 30.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | 82.1 | 96.4 | 154.8 | -53.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 796 | S | 25.6 | Very low | 30.5 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | 54.5 | 136.6 | 118.8 | -53.1 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 797 | S | 26.3 | Very low | 30.4 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 72.9 | 152.8 | 162 | 89.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 798 | S | 26.3 | Very low | 30.1 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | cis | -170.2 | -167 | -20.8 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 799 | I | 28.5 | Very low | 29.8 | Very low | 138 Ų | 138 | 120 Ų | 120 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | 76.6 | 106.2 | 150.5 | -73.5 | 167.2 | 0 | 0 | 0 | 118.1 | ||||
| 800 | L | 29.2 | Very low | 29.8 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | 64.2 | 155.8 | 139.3 | -57.2 | -179.6 | 0 | 0 | 0 | 119.9 | ||||
| 801 | S | 30.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | cis | -145 | 164.3 | 3.9 | -150.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 802 | S | 32.2 | Very low | 30 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | -6.1 | 145.1 | 151.2 | 55.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 803 | G | 32.8 | Very low | 30.1 | Very low | 74 Ų | 74 | 121.7 Ų | 121.7 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | cis | 171 | -163.8 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 804 | H | 34.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 121.9 Ų | 121.9 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | cis | -166.8 | 135.5 | 2.2 | -155.9 | 37.4 | 0 | 0 | 0 | 109.8 | ||||
| 805 | L | 31.3 | Very low | 30.5 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | 63.2 | 155.6 | 161.1 | -49.5 | 177.1 | 0 | 0 | 0 | 118.3 | ||||
| 806 | T | 30.8 | Very low | 30.7 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | -156.1 | 154 | -15 | 12.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 807 | P | 34 | Very low | 30.9 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -100.3 | -164.6 | 172.4 | 41.1 | -35.8 | 0 | 0 | 0 | 113.2 | ||||
| 808 | C | 27.4 | Very low | 31.1 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | 100.5 | 155.1 | 168.1 | -74 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 809 | P | 36.1 | Very low | 31.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -122.2 | -173.5 | -149 | 44.4 | -32.6 | 0 | 0 | 0 | 114.4 | ||||
| 810 | I | 32.4 | Very low | 31.3 | Very low | 169 Ų | 169 | 124 Ų | 124 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -180 | 159.3 | 144.2 | -95.9 | 153.1 | 0 | 0 | 0 | 110.7 | ||||
| 811 | Q | 28.9 | Very low | 31.4 | Very low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -111.9 | -171.2 | 173.3 | -42.6 | 178 | -78.6 | 0 | 0 | 109.8 | ||||
| 812 | P | 35.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -136.3 | -150.3 | -8.2 | 32.9 | -7.6 | 0 | 0 | 0 | 113.3 | ||||
| 813 | T | 29.6 | Very low | 31.2 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | trans | 78.9 | 114.5 | 154.1 | 45.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 814 | T | 29.6 | Very low | 31.1 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | 47.4 | 134.1 | 136.7 | 58.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 815 | A | 33.8 | Very low | 30.8 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | -157.1 | 164.8 | 43.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 816 | T | 29.9 | Very low | 30.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | trans | -8 | 147.9 | 149.7 | -7.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 817 | T | 31.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 140 Ų | 140 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | cis | -169.9 | 138.8 | 42 | -37.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 818 | T | 30.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 57.5 | 152.9 | 153.1 | 51.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 819 | N | 29 | Very low | 30.8 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | cis | -161.2 | 164.1 | -8.9 | -121.3 | -11.8 | 0 | 0 | 0 | 112.3 | ||||
| 820 | V | 29.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | trans | 59.7 | 117 | 165.7 | -146.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 821 | T | 30.6 | Very low | 31.1 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 73% | 0.73 | S | S | * | * | 169.3 | 167.5 | 117.4 | 35.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 822 | E | 32.3 | Very low | 31.4 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | trans | 67.3 | 62.1 | 175.4 | -65.6 | -139.3 | 177.3 | 0 | 0 | 119.8 | R824 | E822-R824 PolarHBondContact O-N 3.3Å; E822-R824 IonicContact OE2-CZ 3.64Å; E822-R824 IonicContact OE2-NE 3.69Å; E822-R824 PolarHBondContact OE2-NE 3.06Å; E822-R824 VanDerWaalsContact OE2-NE 3.13Å; E822-R824 IonicContact OE2-NH2 3.9Å; E822-R824 PolarHBondContact OE2-NH2 2.95Å | ||
| 823 | E | 27 | Very low | 31.5 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -66.1 | 113.1 | 143.4 | -80.6 | -160.4 | 126.1 | 0 | 0 | 110.1 | S825 | E823-S825 VanDerWaalsContact C-N 3.29Å; E823-S825 PolarHBondContact O-N 3.43Å | ||
| 824 | R | 31.1 | Very low | 32.1 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | -80.1 | 77.6 | 170.6 | -77.8 | -169.1 | 176.4 | -166.7 | -2.4 | 111.9 | E822 Y826 | E822-R824 PolarHBondContact O-N 3.3Å; E822-R824 IonicContact OE2-CZ 3.64Å; E822-R824 IonicContact OE2-NE 3.69Å; E822-R824 PolarHBondContact OE2-NE 3.06Å; E822-R824 VanDerWaalsContact OE2-NE 3.13Å; E822-R824 IonicContact OE2-NH2 3.9Å; E822-R824 PolarHBondContact OE2-NH2 2.95Å; R824-Y826 PolarHBondContact O-N 3.38Å; R824-Y826 VanDerWaalsContact O-N 3.11Å | ||
| 825 | S | 26.3 | Very low | 32.5 | Very low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | trans | -49.2 | 111.7 | 171.2 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | E823 K827 | E823-S825 VanDerWaalsContact C-N 3.29Å; E823-S825 PolarHBondContact O-N 3.43Å; S825-K827 PolarHBondContact O-N 2.91Å | ||
| 826 | Y | 30.9 | Very low | 32.8 | Very low | 236 Ų | 236 | 130 Ų | 130 | 93% | 0.925 | 67% | 0.671 | S | S | * | * | trans | -66.3 | 98 | 164 | -92.3 | -92.9 | 0 | 0 | 0 | 108.5 | R824 S828 | R824-Y826 PolarHBondContact O-N 3.38Å; R824-Y826 VanDerWaalsContact O-N 3.11Å; Y826-S828 PolarHBondContact O-N 3.37Å | ||
| 827 | K | 31.1 | Very low | 33.2 | Very low | 190 Ų | 190 | 130.2 Ų | 130.2 | 83% | 0.826 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 132 | -172.5 | -71.6 | -176 | 175.6 | -179.6 | 0 | 111.8 | S825 I829 | S825-K827 PolarHBondContact O-N 2.91Å; K827-I829 PolarHBondContact O-N 3.33Å |
| 828 | S | 27.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 126.4 | 170.3 | 39.8 | 0 | 0 | 0 | 0 | 110.6 | Y826 S830 | Y826-S828 PolarHBondContact O-N 3.37Å; S828-S830 PolarHBondContact O-N 3.37Å |
| 829 | I | 35.2 | Very low | 34.3 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 59% | 0.59 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 116.8 | 168 | -55.1 | 176.5 | 0 | 0 | 0 | 105.9 | K827 K833 I834 | K827-I829 PolarHBondContact O-N 3.33Å; I829-K833 HydrophobicContact CG2-CB 3.78Å; I829-I834 HydrophobicContact CB-CD1 4.24Å; I829-I834 HydrophobicContact CB-CG1 4.22Å; I829-I834 HydrophobicContact CG2-CD1 4.28Å; I829-I834 HydrophobicContact CG2-CG1 3.7Å |
| 830 | S | 36 | Very low | 34.6 | Very low | 59 Ų | 59 | 122.2 Ų | 122.2 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 146.6 | -179.3 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | S828 D832 K833 | S828-S830 PolarHBondContact O-N 3.37Å; S830-D832 PolarHBondContact O-N 2.77Å; S830-D832 VanDerWaalsContact O-N 3.07Å; S830-K833 PolarHBondContact O-N 3.22Å |
| 831 | E | 38.4 | Very low | 35 | Very low | 127 Ų | 127 | 121 Ų | 121 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -53 | -36.2 | -175.8 | -65.7 | -152.5 | 94.7 | 0 | 0 | 112.4 | R104 K833 I834 N835 | R104-E831 IonicContact CZ-OE1 2.98Å; R104-E831 IonicContact NE-OE1 3.37Å; R104-E831 IonicContact NH2-OE1 3.03Å; R104-E831 PolarHBondContact NH2-OE1 3.34Å; E831-K833 PolarHBondContact O-N 2.72Å; E831-I834 PolarHBondContact O-N 2.98Å; E831-N835 WeakPolarHBondContact O-CB 3.35Å; E831-N835 PolarHBondContact O-N 2.9Å; E831-N835 PolarHBondContact O-ND2 2.63Å |
| 832 | D | 34.8 | Very low | 35.5 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 65% | 0.647 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.3 | -40.6 | 176.5 | -59.7 | -53.8 | 0 | 0 | 0 | 113.3 | S830 N835 E836 | S830-D832 PolarHBondContact O-N 2.77Å; S830-D832 VanDerWaalsContact O-N 3.07Å; D832-N835 PolarHBondContact O-N 3.33Å; D832-E836 WeakPolarHBondContact O-CA 3.19Å; D832-E836 WeakPolarHBondContact O-CB 2.96Å; D832-E836 PolarHBondContact O-N 3.18Å |
| 833 | K | 36.9 | Very low | 35.7 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.6 | -36.5 | -177.9 | -78.6 | -171.8 | 174.3 | -176.3 | 0 | 112.7 | I829 S830 E831 M837 | I829-K833 HydrophobicContact CG2-CB 3.78Å; S830-K833 PolarHBondContact O-N 3.22Å; E831-K833 PolarHBondContact O-N 2.72Å; K833-M837 PolarHBondContact O-N 3.33Å |
| 834 | I | 42.2 | Very low | 36 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.7 | -46.3 | 173.1 | -59 | -179.1 | 0 | 0 | 0 | 109.4 | I829 E831 E836 M837 D838 | I829-I834 HydrophobicContact CB-CD1 4.24Å; I829-I834 HydrophobicContact CB-CG1 4.22Å; I829-I834 HydrophobicContact CG2-CD1 4.28Å; I829-I834 HydrophobicContact CG2-CG1 3.7Å; E831-I834 PolarHBondContact O-N 2.98Å; I834-E836 VanDerWaalsContact C-N 3.29Å; I834-E836 PolarHBondContact O-N 3.2Å; I834-M837 PolarHBondContact O-N 3.27Å; I834-D838 WeakPolarHBondContact O-CB 3.47Å; I834-D838 PolarHBondContact O-N 3.44Å |
| 835 | N | 39 | Very low | 36.2 | Very low | 63 Ų | 63 | 112.4 Ų | 112.4 | 34% | 0.337 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.1 | -39.2 | 175.1 | -73.6 | -20.6 | 0 | 0 | 0 | 111.8 | R104 E831 D832 L839 | R104-N835 PolarHBondContact NH1-OD1 3.05Å; R104-N835 PolarHBondContact NH2-OD1 2.95Å; E831-N835 WeakPolarHBondContact O-CB 3.35Å; E831-N835 PolarHBondContact O-N 2.9Å; E831-N835 PolarHBondContact O-ND2 2.63Å; D832-N835 PolarHBondContact O-N 3.33Å; N835-L839 WeakPolarHBondContact O-CB 3.17Å; N835-L839 WeakPolarHBondContact O-CD1 3.27Å; N835-L839 VanDerWaalsContact O-CG 3.26Å; N835-L839 WeakPolarHBondContact O-CG 3.27Å; N835-L839 PolarHBondContact O-N 3.44Å |
| 836 | E | 39.8 | Very low | 36.3 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.2 | -47.7 | 179.5 | 179.3 | 167.7 | -147.3 | 0 | 0 | 112 | D832 I834 D838 L839 Q840 | D832-E836 WeakPolarHBondContact O-CA 3.19Å; D832-E836 WeakPolarHBondContact O-CB 2.96Å; D832-E836 PolarHBondContact O-N 3.18Å; I834-E836 VanDerWaalsContact C-N 3.29Å; I834-E836 PolarHBondContact O-N 3.2Å; E836-D838 VanDerWaalsContact C-N 3.28Å; E836-D838 PolarHBondContact O-N 3.05Å; E836-L839 CarbonylContact O-C 3.46Å; E836-L839 PolarHBondContact O-N 2.88Å; E836-Q840 HydrophobicContact CG-CG 4.35Å; E836-Q840 WeakPolarHBondContact O-CB 3.44Å; E836-Q840 VanDerWaalsContact O-CG 3.3Å; E836-Q840 WeakPolarHBondContact O-CG 3.38Å; E836-Q840 PolarHBondContact O-N 3.08Å; E836-Q840 PolarHBondContact OE1-NE2 2.91Å |
| 837 | M | 38.1 | Very low | 36.2 | Very low | 130 Ų | 130 | 105.4 Ų | 105.4 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.2 | -44.8 | 174 | -99.6 | 175.2 | 53.5 | 0 | 0 | 111.5 | K833 I834 Q840 N841 | K833-M837 PolarHBondContact O-N 3.33Å; I834-M837 PolarHBondContact O-N 3.27Å; M837-Q840 PolarHBondContact O-N 3.37Å; M837-N841 PolarHBondContact O-N 2.74Å; M837-N841 PolarHBondContact O-ND2 3.13Å |
| 838 | D | 40.7 | Very low | 36.2 | Very low | 31 Ų | 31 | 102.6 Ų | 102.6 | 17% | 0.166 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -75.4 | -31.1 | -178.2 | -150.3 | 56.3 | 0 | 0 | 0 | 112.3 | I834 E836 R842 | I834-D838 WeakPolarHBondContact O-CB 3.47Å; I834-D838 PolarHBondContact O-N 3.44Å; E836-D838 VanDerWaalsContact C-N 3.28Å; E836-D838 PolarHBondContact O-N 3.05Å; D838-R842 WeakPolarHBondContact O-CB 3.11Å; D838-R842 WeakPolarHBondContact O-CD 3.4Å; D838-R842 WeakPolarHBondContact O-CG 3.25Å; D838-R842 PolarHBondContact O-N 2.87Å; D838-R842 IonicContact OD2-CZ 3.89Å; D838-R842 IonicContact OD2-NE 3.89Å; D838-R842 PolarHBondContact OD2-NE 3Å; D838-R842 IonicContact OD2-NH2 3.98Å; D838-R842 PolarHBondContact OD2-NH2 3.37Å |
| 839 | L | 43.1 | Very low | 36.4 | Very low | 80 Ų | 80 | 104.7 Ų | 104.7 | 42% | 0.419 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 167.2 | -86.4 | 164.4 | 0 | 0 | 0 | 112.3 | N835 E836 R842 R843 | N835-L839 WeakPolarHBondContact O-CB 3.17Å; N835-L839 WeakPolarHBondContact O-CD1 3.27Å; N835-L839 VanDerWaalsContact O-CG 3.26Å; N835-L839 WeakPolarHBondContact O-CG 3.27Å; N835-L839 PolarHBondContact O-N 3.44Å; E836-L839 CarbonylContact O-C 3.46Å; E836-L839 PolarHBondContact O-N 2.88Å; L839-R842 CarbonylContact O-C 3.59Å; L839-R842 PolarHBondContact O-N 2.99Å; L839-R843 WeakPolarHBondContact O-CB 3.45Å; L839-R843 WeakPolarHBondContact O-CD 3.3Å; L839-R843 WeakPolarHBondContact O-CG 3.32Å; L839-R843 PolarHBondContact O-N 3.39Å |
| 840 | Q | 35.4 | Very low | 36.2 | Very low | 88 Ų | 88 | 107 Ų | 107 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -50.2 | 175.8 | -73.9 | 179 | 18.2 | 0 | 0 | 109.9 | E836 M837 R842 R843 F844 | E836-Q840 HydrophobicContact CG-CG 4.35Å; E836-Q840 WeakPolarHBondContact O-CB 3.44Å; E836-Q840 VanDerWaalsContact O-CG 3.3Å; E836-Q840 WeakPolarHBondContact O-CG 3.38Å; E836-Q840 PolarHBondContact O-N 3.08Å; E836-Q840 PolarHBondContact OE1-NE2 2.91Å; M837-Q840 PolarHBondContact O-N 3.37Å; Q840-R842 PolarHBondContact O-N 3.15Å; Q840-R843 PolarHBondContact O-N 2.87Å; Q840-F844 HydrophobicContact CB-CE2 4.38Å; Q840-F844 WeakPolarHBondContact O-CD2 3.4Å; Q840-F844 PolarHBondContact O-N 2.83Å; Q840-F844 VanDerWaalsContact O-N 3.15Å |
| 841 | N | 38.8 | Very low | 36 | Very low | 95 Ų | 95 | 109.3 Ų | 109.3 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -55.4 | -37.1 | 174.2 | -72.6 | -32.2 | 0 | 0 | 0 | 112.9 | M837 | M837-N841 PolarHBondContact O-N 2.74Å; M837-N841 PolarHBondContact O-ND2 3.13Å |
| 842 | R | 41 | Very low | 35.6 | Very low | 120 Ų | 120 | 108.6 Ų | 108.6 | 45% | 0.453 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -82.2 | -18.9 | 175.6 | -66.1 | 171.4 | -164.4 | -137.7 | 13.3 | 114.1 | D838 L839 Q840 A845 | D838-R842 WeakPolarHBondContact O-CB 3.11Å; D838-R842 WeakPolarHBondContact O-CD 3.4Å; D838-R842 WeakPolarHBondContact O-CG 3.25Å; D838-R842 PolarHBondContact O-N 2.87Å; D838-R842 IonicContact OD2-CZ 3.89Å; D838-R842 IonicContact OD2-NE 3.89Å; D838-R842 PolarHBondContact OD2-NE 3Å; D838-R842 IonicContact OD2-NH2 3.98Å; D838-R842 PolarHBondContact OD2-NH2 3.37Å; L839-R842 CarbonylContact O-C 3.59Å; L839-R842 PolarHBondContact O-N 2.99Å; Q840-R842 PolarHBondContact O-N 3.15Å; R842-A845 WeakPolarHBondContact O-CB 3.49Å |
| 843 | R | 35.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 107.5 Ų | 107.5 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -88.5 | -31 | -177.8 | -82.7 | 171.8 | -179.3 | -172.1 | 4.1 | 114 | L839 Q840 A845 S846 | L839-R843 WeakPolarHBondContact O-CB 3.45Å; L839-R843 WeakPolarHBondContact O-CD 3.3Å; L839-R843 WeakPolarHBondContact O-CG 3.32Å; L839-R843 PolarHBondContact O-N 3.39Å; Q840-R843 PolarHBondContact O-N 2.87Å; R843-A845 PolarHBondContact O-N 3.15Å; R843-S846 PolarHBondContact O-OG 3.48Å |
| 844 | F | 33.6 | Very low | 35 | Very low | 156 Ų | 156 | 109 Ų | 109 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -68 | -1.9 | 174.5 | -73.1 | -68.5 | 0 | 0 | 0 | 113.7 | Q840 S846 | Q840-F844 HydrophobicContact CB-CE2 4.38Å; Q840-F844 WeakPolarHBondContact O-CD2 3.4Å; Q840-F844 PolarHBondContact O-N 2.83Å; Q840-F844 VanDerWaalsContact O-N 3.15Å; F844-S846 PolarHBondContact O-N 3.16Å |
| 845 | A | 35.6 | Very low | 34.6 | Very low | 40 Ų | 40 | 113.2 Ų | 113.2 | 33% | 0.331 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -61 | 2.6 | 178 | 0 | 0 | 0 | 0 | 0 | 117.5 | V188 R842 R843 | V188-A845 HydrophobicContact CB-CB 3.64Å; V188-A845 HydrophobicContact CG1-CB 3.57Å; V188-A845 HydrophobicContact CG2-CB 4.37Å; R842-A845 WeakPolarHBondContact O-CB 3.49Å; R843-A845 PolarHBondContact O-N 3.15Å |
| 846 | S | 29.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -126.3 | 10 | -164 | 56 | 0 | 0 | 0 | 0 | 115.8 | R843 F844 | R843-S846 PolarHBondContact O-OG 3.48Å; F844-S846 PolarHBondContact O-N 3.16Å |
| 847 | A | 28.8 | Very low | 34 | Very low | 72 Ų | 72 | 114.3 Ų | 114.3 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | trans | -106.2 | 115.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L849 | A847-L849 PolarHBondContact O-N 3.25Å; A847-L849 VanDerWaalsContact O-N 3.1Å | ||
| 848 | P | 30.6 | Very low | 33.5 | Very low | 130 Ų | 130 | 113.9 Ų | 113.9 | 84% | 0.844 | 67% | 0.666 | S | S | * | * | trans | -76 | 97.4 | 173.8 | 30.5 | -32.4 | 0 | 0 | 0 | 110 | ||||
| 849 | L | 32.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136.1 | 168.4 | -66.7 | 174.8 | 0 | 0 | 0 | 109.8 | A847 | A847-L849 PolarHBondContact O-N 3.25Å; A847-L849 VanDerWaalsContact O-N 3.1Å |
| 850 | L | 29.6 | Very low | 32.4 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 143.7 | 177.4 | -72 | 164.2 | 0 | 0 | 0 | 110.5 | A852 | L850-A852 PolarHBondContact O-N 3.27Š|
| 851 | P | 32.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.1 | 180 | 26.3 | -33.8 | 0 | 0 | 0 | 110.9 | S853 | P851-S853 PolarHBondContact O-N 3.16Š|
| 852 | A | 30.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 93% | 0.934 | 75% | 0.75 | S | S | * | * | trans | -76 | 68.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L850 | L850-A852 PolarHBondContact O-N 3.27Š| ||
| 853 | S | 29.2 | Very low | 31.1 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -111.2 | 48.6 | -179.7 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | P851 | P851-S853 PolarHBondContact O-N 3.16Š| ||
| 854 | L | 29 | Very low | 30.9 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -137.6 | 88 | 173.4 | -73.7 | 177.4 | 0 | 0 | 0 | 110.9 | ||||
| 855 | L | 34.5 | Very low | 30.7 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | trans | -114.7 | 116.6 | 151.9 | -73.8 | 175.8 | 0 | 0 | 0 | 106.6 | ||||
| 856 | P | 35.8 | Very low | 30.3 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 143 | -172.9 | 28 | -33.7 | 0 | 0 | 0 | 112.1 | ||
| 857 | G | 31.4 | Very low | 30.4 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 160.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I859 | G857-I859 PolarHBondContact O-N 3.18Š|
| 858 | S | 27.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.1 | -178.7 | -171.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 859 | I | 32.1 | Very low | 30.3 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -133.2 | 142.6 | 163.2 | -60.2 | -177.1 | 0 | 0 | 0 | 108 | G857 | G857-I859 PolarHBondContact O-N 3.18Š| ||
| 860 | R | 28.6 | Very low | 30.1 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -104.5 | 154.9 | -171.9 | -70 | 178.7 | 170.8 | 173.3 | -4.4 | 113.1 | ||||
| 861 | N | 29.6 | Very low | 30.1 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 66.8 | 97.2 | 144.3 | -65.9 | -4.5 | 0 | 0 | 0 | 121 | ||||
| 862 | R | 29.6 | Very low | 29.9 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | 161.8 | 147.8 | 103 | -88.5 | 176.2 | -173.3 | -145.7 | 2 | 112.8 | |||||
| 863 | P | 27.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -105 | -167 | 174.3 | 41.5 | -35 | 0 | 0 | 0 | 113.5 | ||||
| 864 | I | 30.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 92% | 0.918 | 78% | 0.784 | S | S | * | * | trans | 88.1 | 131.5 | -174.8 | -51.7 | 159.6 | 0 | 0 | 0 | 111.8 | ||||
| 865 | G | 30.7 | Very low | 29.7 | Very low | 66 Ų | 66 | 137.7 Ų | 137.7 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | -165.5 | -179.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 866 | N | 27.7 | Very low | 29.5 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -81.3 | 163.4 | -170.3 | -60.2 | -13.6 | 0 | 0 | 0 | 115.1 | ||||
| 867 | I | 30.8 | Very low | 29.1 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -176.2 | 172.4 | 130.2 | -93.1 | 155 | 0 | 0 | 0 | 110.2 | ||||
| 868 | T | 29.6 | Very low | 28.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | -128.9 | 146.3 | -143.8 | 52.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 869 | N | 28.8 | Very low | 28.8 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 53.3 | 169.2 | 143.9 | -48.8 | -10.4 | 0 | 0 | 0 | 119.5 | ||||
| 870 | T | 28 | Very low | 28.5 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -148.7 | 162.5 | 11.2 | 47 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 871 | T | 28.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | 61.8 | 153.3 | 147.7 | 44.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 872 | S | 28.2 | Very low | 28.2 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -166.1 | 167.4 | -9.7 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 873 | T | 28.2 | Very low | 28 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 71 | 114.3 | 144.6 | 41.8 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 874 | T | 28.5 | Very low | 28.2 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 73.6 | 119.7 | 129.6 | 55.9 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 875 | N | 27.3 | Very low | 28 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 58.1 | 116.2 | 128.7 | -58.7 | -4.2 | 0 | 0 | 0 | 123.8 | |||||
| 876 | S | 30.4 | Very low | 28.1 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | -156.1 | 155.3 | 128.2 | -42.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 877 | T | 27.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 169.3 | 166.1 | 39.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 878 | S | 26.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | cis | -171.7 | 179.9 | -13.5 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 879 | N | 26.8 | Very low | 28.4 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 75 | 152.7 | 156.3 | -68.1 | -16 | 0 | 0 | 0 | 121.5 | ||||
| 880 | I | 25.8 | Very low | 28.5 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | 100.3 | 94 | 171.5 | -55.1 | 163.4 | 0 | 0 | 0 | 115.2 | ||||
| 881 | F | 25.9 | Very low | 28.7 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 91% | 0.908 | 76% | 0.756 | S | S | * | * | trans | -156.1 | 125.2 | 143.3 | -110.3 | -71.3 | 0 | 0 | 0 | 109.7 | ||||
| 882 | N | 26 | Very low | 28.7 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -150.1 | 148.2 | 174.5 | -152.9 | -12.6 | 0 | 0 | 0 | 110.3 | ||||
| 883 | S | 25.3 | Very low | 28.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 54.6 | 95.5 | 176.4 | -164.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 884 | T | 30.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -156.1 | 125.1 | 140 | -10.1 | 0 | 0 | 0 | 0 | 111.5 | V886 | T884-V886 PolarHBondContact O-N 3.37Š| ||
| 885 | K | 26.7 | Very low | 29.1 | Very low | 209 Ų | 209 | 132.3 Ų | 132.3 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | -74.1 | 119 | 175.7 | -69.6 | -176.4 | 176.2 | -177.3 | 0 | 110.2 | ||||
| 886 | V | 32.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -126.1 | 130.2 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 110 | T884 | T884-V886 PolarHBondContact O-N 3.37Š| ||
| 887 | N | 30.6 | Very low | 29.6 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | trans | -78.8 | 130.1 | -177.5 | -71.7 | -16.2 | 0 | 0 | 0 | 112.4 | K889 | N887-K889 PolarHBondContact O-N 2.9Š| ||
| 888 | S | 31.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 30 | 85.2 | 151.5 | 43.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 889 | K | 32.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 134.8 | 156.2 | -67.8 | -178.6 | 179.8 | 177.6 | 0 | 110.2 | N887 Y891 | N887-K889 PolarHBondContact O-N 2.9Å; K889-Y891 HydrophobicContact CB-CE2 4.29Å |
| 890 | S | 32.6 | Very low | 30.4 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 128.4 | 168.6 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 891 | Y | 30.8 | Very low | 30.9 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 51% | 0.51 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -101.3 | 141.9 | 177.8 | -63 | -82.9 | 0 | 0 | 0 | 111.1 | K889 L911 | K889-Y891 HydrophobicContact CB-CE2 4.29Å; Y891-L911 HydrophobicContact CE2-CD2 4.17Å |
| 892 | L | 29.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 129.9 | 165.8 | -89.4 | 163.1 | 0 | 0 | 0 | 108.9 | V902 | L892-V902 HydrophobicContact CD2-CG2 4.36Š|
| 893 | I | 30.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | trans | -115.9 | 110.3 | 169.2 | -58.8 | 177.4 | 0 | 0 | 0 | 106.7 | ||||
| 894 | S | 28.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | trans | -78.4 | 140.3 | 170.9 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 895 | S | 34 | Very low | 32.4 | Very low | 55 Ų | 55 | 120.2 Ų | 120.2 | 39% | 0.385 | 67% | 0.672 | S | S | . | * | trans | -114 | 149.5 | 168.7 | 71.8 | 0 | 0 | 0 | 0 | 109.4 | N897 G898 S899 | S895-N897 PolarHBondContact O-N 2.71Å; S895-G898 PolarHBondContact O-N 3.27Å; S895-S899 PolarHBondContact OG-O 3.11Å | ||
| 896 | N | 33.6 | Very low | 32.7 | Very low | 168 Ų | 168 | 118.2 Ų | 118.2 | 90% | 0.898 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -4.3 | -175 | -69.7 | 4 | 0 | 0 | 0 | 114.4 | ||
| 897 | N | 34.7 | Very low | 33.1 | Very low | 141 Ų | 141 | 115.6 Ų | 115.6 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 30.8 | -176.4 | -62.1 | 15.5 | 0 | 0 | 0 | 112.4 | S895 S899 | S895-N897 PolarHBondContact O-N 2.71Å; N897-S899 PolarHBondContact O-N 2.94Å; N897-S899 PolarHBondContact O-OG 3Å |
| 898 | G | 32.3 | Very low | 33.4 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 68 | 0.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | S895 | S895-G898 PolarHBondContact O-N 3.27Š|
| 899 | S | 31 | Very low | 34 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | trans | -108.5 | 118.9 | -176.2 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | S895 N897 | S895-S899 PolarHBondContact OG-O 3.11Å; N897-S899 PolarHBondContact O-N 2.94Å; N897-S899 PolarHBondContact O-OG 3Å | ||
| 900 | S | 34.4 | Very low | 34.7 | Very low | 75 Ų | 75 | 108.9 Ų | 108.9 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | trans | -112.1 | 122.5 | 173 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 901 | S | 34.9 | Very low | 35 | Very low | 91 Ų | 91 | 106.6 Ų | 106.6 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | trans | -115 | 143.7 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 902 | V | 35.2 | Very low | 35.5 | Very low | 106 Ų | 106 | 105.6 Ų | 105.6 | 64% | 0.642 | 60% | 0.601 | S | S | * | * | trans | -106 | 107.4 | -176.6 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | L892 | L892-V902 HydrophobicContact CD2-CG2 4.36Š| ||
| 903 | I | 35.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | trans | -89.8 | 135.1 | 174.1 | -60.1 | 175.6 | 0 | 0 | 0 | 109.1 | L905 | I903-L905 HydrophobicContact CG2-CD2 3.94Å; I903-L905 HydrophobicContact CG2-CG 4.45Å | ||
| 904 | R | 34.1 | Very low | 36.9 | Very low | 213 Ų | 213 | 104.4 Ų | 104.4 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | trans | -114.7 | 100.4 | 176.2 | -168.4 | -178.3 | -142.6 | 150.1 | 7.6 | 109.6 | ||||
| 905 | L | 36 | Very low | 37.5 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 30% | 0.298 | 59% | 0.586 | S | S | . | * | trans | -72.4 | 147.2 | 173.3 | -55.6 | 175.3 | 0 | 0 | 0 | 110 | I903 E910 L911 L914 | I903-L905 HydrophobicContact CG2-CD2 3.94Å; I903-L905 HydrophobicContact CG2-CG 4.45Å; L905-E910 HydrophobicContact CB-CB 4.29Å; L905-E910 HydrophobicContact CD1-CB 4.33Å; L905-E910 HydrophobicContact CD2-CB 4.21Å; L905-E910 HydrophobicContact CG-CB 4.5Å; L905-L911 HydrophobicContact CD1-CD2 4.24Å; L905-L911 HydrophobicContact CD1-CG 4Å; L905-L914 HydrophobicContact CD1-CD1 3.62Å; L905-L914 HydrophobicContact CD2-CD1 3.91Å; L905-L914 HydrophobicContact CG-CD1 4.4Å | ||
| 906 | H | 33.1 | Very low | 37.9 | Very low | 167 Ų | 167 | 108.5 Ų | 108.5 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | trans | -110.8 | -8.7 | -170.9 | -96.5 | -94.7 | 0 | 0 | 0 | 114.2 | E910 | H906-E910 WeakPolarHBondContact CA-OE2 3.25Å; H906-E910 PolarHBondContact N-OE2 3.18Å | ||
| 907 | S | 39.5 | Very low | 38.2 | Very low | 58 Ų | 58 | 103.9 Ų | 103.9 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -141.5 | 165.3 | 174.8 | 74.4 | 0 | 0 | 0 | 0 | 113.7 | N909 E910 | S907-N909 VanDerWaalsContact C-N 3.32Å; S907-E910 PolarHBondContact N-OE2 3.13Å; S907-E910 WeakPolarHBondContact OG-CG 3.45Å; S907-E910 PolarHBondContact OG-OE2 2.8Å |
| 908 | S | 38.7 | Very low | 38.3 | Very low | 81 Ų | 81 | 103.1 Ų | 103.1 | 57% | 0.566 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.7 | -37.6 | 173.6 | -161.5 | 0 | 0 | 0 | 0 | 112 | E910 L911 D912 | S908-E910 VanDerWaalsContact C-N 3.26Å; S908-E910 PolarHBondContact O-N 2.93Å; S908-L911 WeakPolarHBondContact O-CB 3.38Å; S908-L911 PolarHBondContact O-N 3.31Å; S908-D912 PolarHBondContact O-N 3.03Å |
| 909 | N | 42.8 | Very low | 38.5 | Very low | 113 Ų | 113 | 108.5 Ų | 108.5 | 60% | 0.604 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.8 | -28.4 | -172.6 | -55.9 | 26.3 | 0 | 0 | 0 | 112.1 | S907 L911 D912 H913 | S907-N909 VanDerWaalsContact C-N 3.32Å; N909-L911 VanDerWaalsContact C-N 3.32Å; N909-D912 PolarHBondContact O-N 3.07Å; N909-H913 PolarHBondContact O-CD2 3.25Å; N909-H913 PolarHBondContact O-N 2.97Å |
| 910 | E | 47.3 | Very low | 38.9 | Very low | 78 Ų | 78 | 109.3 Ų | 109.3 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -31.6 | 173.8 | -68.5 | 167.2 | 136.1 | 0 | 0 | 112.3 | L905 H906 S907 S908 L914 | L905-E910 HydrophobicContact CB-CB 4.29Å; L905-E910 HydrophobicContact CD1-CB 4.33Å; L905-E910 HydrophobicContact CD2-CB 4.21Å; L905-E910 HydrophobicContact CG-CB 4.5Å; H906-E910 WeakPolarHBondContact CA-OE2 3.25Å; H906-E910 PolarHBondContact N-OE2 3.18Å; S907-E910 PolarHBondContact N-OE2 3.13Å; S907-E910 WeakPolarHBondContact OG-CG 3.45Å; S907-E910 PolarHBondContact OG-OE2 2.8Å; S908-E910 VanDerWaalsContact C-N 3.26Å; S908-E910 PolarHBondContact O-N 2.93Å; E910-L914 WeakPolarHBondContact O-CB 3.29Å; E910-L914 PolarHBondContact O-N 3.1Å |
| 911 | L | 38.3 | Very low | 38.9 | Very low | 53 Ų | 53 | 114.6 Ų | 114.6 | 28% | 0.277 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.2 | -44.4 | 174.3 | -92.7 | 163.7 | 0 | 0 | 0 | 111.1 | Y891 L905 S908 N909 L914 F915 | Y891-L911 HydrophobicContact CE2-CD2 4.17Å; L905-L911 HydrophobicContact CD1-CD2 4.24Å; L905-L911 HydrophobicContact CD1-CG 4Å; S908-L911 WeakPolarHBondContact O-CB 3.38Å; S908-L911 PolarHBondContact O-N 3.31Å; N909-L911 VanDerWaalsContact C-N 3.32Å; L911-L914 PolarHBondContact O-N 3.3Å; L911-F915 HydrophobicContact CD2-CD2 4.06Å; L911-F915 HydrophobicContact CD2-CE2 3.89Å; L911-F915 WeakPolarHBondContact O-CB 3.38Å; L911-F915 WeakPolarHBondContact O-CD2 3.42Å; L911-F915 PolarHBondContact O-N 3.33Å |
| 912 | D | 42.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -41.6 | 178.9 | -68 | -51 | 0 | 0 | 0 | 111.6 | S908 N909 F915 H916 | S908-D912 PolarHBondContact O-N 3.03Å; N909-D912 PolarHBondContact O-N 3.07Å; D912-F915 PolarHBondContact O-N 3.08Å; D912-H916 VanDerWaalsContact O-CB 3.28Å; D912-H916 WeakPolarHBondContact O-CB 3.36Å; D912-H916 PolarHBondContact O-N 2.99Å |
| 913 | H | 48.3 | Very low | 38.7 | Very low | 145 Ų | 145 | 119.1 Ų | 119.1 | 67% | 0.671 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -46.4 | 172.3 | -84.4 | -69.1 | 0 | 0 | 0 | 112.3 | N909 F915 H916 D917 | N909-H913 PolarHBondContact O-CD2 3.25Å; N909-H913 PolarHBondContact O-N 2.97Å; H913-F915 PolarHBondContact O-N 2.75Å; H913-H916 PolarHBondContact O-N 2.91Å; H913-D917 WeakPolarHBondContact O-CB 3.28Å; H913-D917 PolarHBondContact O-N 3.27Å |
| 914 | L | 41.4 | Very low | 38.4 | Very low | 98 Ų | 98 | 116.9 Ų | 116.9 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -36 | 178.6 | -84.5 | 163.7 | 0 | 0 | 0 | 113.3 | L905 E910 L911 Y918 | L905-L914 HydrophobicContact CD1-CD1 3.62Å; L905-L914 HydrophobicContact CD2-CD1 3.91Å; L905-L914 HydrophobicContact CG-CD1 4.4Å; E910-L914 WeakPolarHBondContact O-CB 3.29Å; E910-L914 PolarHBondContact O-N 3.1Å; L911-L914 PolarHBondContact O-N 3.3Å; L914-Y918 WeakPolarHBondContact O-CB 3.28Å; L914-Y918 PolarHBondContact O-N 3.22Å |
| 915 | F | 39.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 54% | 0.544 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.3 | -36.2 | 173.7 | -94 | -81.1 | 0 | 0 | 0 | 112.2 | L911 D912 H913 R919 | L911-F915 HydrophobicContact CD2-CD2 4.06Å; L911-F915 HydrophobicContact CD2-CE2 3.89Å; L911-F915 WeakPolarHBondContact O-CB 3.38Å; L911-F915 WeakPolarHBondContact O-CD2 3.42Å; L911-F915 PolarHBondContact O-N 3.33Å; D912-F915 PolarHBondContact O-N 3.08Å; H913-F915 PolarHBondContact O-N 2.75Å; F915-R919 WeakPolarHBondContact O-CB 3.17Å; F915-R919 PolarHBondContact O-N 3.13Å |
| 916 | H | 42.7 | Very low | 37.7 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.1 | -49.1 | 173.1 | -160.7 | 89.2 | 0 | 0 | 0 | 110.2 | D912 H913 Y918 R919 Q920 | D912-H916 VanDerWaalsContact O-CB 3.28Å; D912-H916 WeakPolarHBondContact O-CB 3.36Å; D912-H916 PolarHBondContact O-N 2.99Å; H913-H916 PolarHBondContact O-N 2.91Å; H916-Y918 PolarHBondContact O-N 3.32Å; H916-R919 PolarHBondContact O-N 3.04Å; H916-Q920 PolarHBondContact NE2-NE2 2.85Å; H916-Q920 WeakPolarHBondContact O-CB 3.4Å; H916-Q920 WeakPolarHBondContact O-CG 3.37Å; H916-Q920 PolarHBondContact O-N 3.3Å |
| 917 | D | 41.1 | Very low | 37.7 | Very low | 70 Ų | 70 | 117.9 Ų | 117.9 | 37% | 0.374 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 178.9 | -130.8 | 35.1 | 0 | 0 | 0 | 112.5 | H913 R919 R921 | H913-D917 WeakPolarHBondContact O-CB 3.28Å; H913-D917 PolarHBondContact O-N 3.27Å; D917-R919 VanDerWaalsContact C-N 3.32Å; D917-R919 PolarHBondContact O-N 3.23Å; D917-R921 VanDerWaalsContact O-CB 3.27Å; D917-R921 WeakPolarHBondContact O-CB 3.45Å; D917-R921 VanDerWaalsContact O-CD 3.3Å; D917-R921 WeakPolarHBondContact O-CD 3.32Å; D917-R921 WeakPolarHBondContact O-CG 3.21Å; D917-R921 PolarHBondContact O-N 3.19Å; D917-R921 IonicContact OD2-CZ 3.31Å; D917-R921 VanDerWaalsContact OD2-CZ 3.27Å; D917-R921 IonicContact OD2-NE 2.65Å; D917-R921 PolarHBondContact OD2-NE 2.76Å; D917-R921 VanDerWaalsContact OD2-NE 3.12Å; D917-R921 IonicContact OD2-NH2 2.74Å; D917-R921 PolarHBondContact OD2-NH2 2.73Å |
| 918 | Y | 35.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 49% | 0.494 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68 | -30.8 | 177 | -168.2 | -96.7 | 0 | 0 | 0 | 112.8 | L914 H916 R922 | L914-Y918 WeakPolarHBondContact O-CB 3.28Å; L914-Y918 PolarHBondContact O-N 3.22Å; H916-Y918 PolarHBondContact O-N 3.32Å; Y918-R922 WeakPolarHBondContact O-CB 3.22Å; Y918-R922 PolarHBondContact O-N 2.95Å; Y918-R922 PolarHBondContact OH-NE 3.37Å; Y918-R922 PolarHBondContact OH-NH1 3Å; Y918-R922 PolarHBondContact OH-NH2 3.3Å |
| 919 | R | 36.7 | Very low | 37 | Very low | 192 Ų | 192 | 123.4 Ų | 123.4 | 73% | 0.725 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.6 | -49 | 176.7 | -160.2 | 170.2 | -166.4 | 161.9 | 1 | 110.7 | F915 H916 D917 R921 R922 T923 | F915-R919 WeakPolarHBondContact O-CB 3.17Å; F915-R919 PolarHBondContact O-N 3.13Å; H916-R919 PolarHBondContact O-N 3.04Å; D917-R919 VanDerWaalsContact C-N 3.32Å; D917-R919 PolarHBondContact O-N 3.23Å; R919-R921 VanDerWaalsContact C-N 3.29Å; R919-R921 PolarHBondContact O-N 3.34Å; R919-R922 PolarHBondContact O-N 3.11Å; R919-T923 PolarHBondContact O-N 2.82Å; R919-T923 PolarHBondContact O-OG1 3.27Å |
| 920 | Q | 38.9 | Very low | 36.5 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 48% | 0.481 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -53.1 | -44.7 | 173 | -69.2 | -77.7 | 9 | 0 | 0 | 111.7 | H916 R922 S924 | H916-Q920 PolarHBondContact NE2-NE2 2.85Å; H916-Q920 WeakPolarHBondContact O-CB 3.4Å; H916-Q920 WeakPolarHBondContact O-CG 3.37Å; H916-Q920 PolarHBondContact O-N 3.3Å; Q920-R922 PolarHBondContact O-N 2.97Å; Q920-S924 PolarHBondContact O-OG 3.06Å |
| 921 | R | 34.8 | Very low | 35.7 | Very low | 186 Ų | 186 | 125.9 Ų | 125.9 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -4.6 | 177.2 | -65.8 | 166.7 | -166.7 | -123.8 | 11.5 | 114.8 | D917 R919 | D917-R921 VanDerWaalsContact O-CB 3.27Å; D917-R921 WeakPolarHBondContact O-CB 3.45Å; D917-R921 VanDerWaalsContact O-CD 3.3Å; D917-R921 WeakPolarHBondContact O-CD 3.32Å; D917-R921 WeakPolarHBondContact O-CG 3.21Å; D917-R921 PolarHBondContact O-N 3.19Å; D917-R921 IonicContact OD2-CZ 3.31Å; D917-R921 VanDerWaalsContact OD2-CZ 3.27Å; D917-R921 IonicContact OD2-NE 2.65Å; D917-R921 PolarHBondContact OD2-NE 2.76Å; D917-R921 VanDerWaalsContact OD2-NE 3.12Å; D917-R921 IonicContact OD2-NH2 2.74Å; D917-R921 PolarHBondContact OD2-NH2 2.73Å; R919-R921 VanDerWaalsContact C-N 3.29Å; R919-R921 PolarHBondContact O-N 3.34Å |
| 922 | R | 31.5 | Very low | 35.2 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -13 | 175.9 | -89.8 | -170.9 | 164.6 | -169.5 | -3.4 | 114.7 | Y918 R919 Q920 | Y918-R922 WeakPolarHBondContact O-CB 3.22Å; Y918-R922 PolarHBondContact O-N 2.95Å; Y918-R922 PolarHBondContact OH-NE 3.37Å; Y918-R922 PolarHBondContact OH-NH1 3Å; Y918-R922 PolarHBondContact OH-NH2 3.3Å; R919-R922 PolarHBondContact O-N 3.11Å; Q920-R922 PolarHBondContact O-N 2.97Å |
| 923 | T | 35.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -98.4 | 21 | 177.6 | 54 | 0 | 0 | 0 | 0 | 113.4 | R919 | R919-T923 PolarHBondContact O-N 2.82Å; R919-T923 PolarHBondContact O-OG1 3.27Å |
| 924 | S | 28.1 | Very low | 33.5 | Very low | 76 Ų | 76 | 130 Ų | 130 | 53% | 0.531 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -145.6 | 50.8 | -166.7 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | Q920 | Q920-S924 PolarHBondContact O-OG 3.06Š|
| 925 | K | 28.3 | Very low | 33 | Very low | 211 Ų | 211 | 131.1 Ų | 131.1 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | trans | -174.9 | 108.1 | 147.8 | -106 | 160.2 | -172.2 | -175.5 | 0 | 113.7 | ||||
| 926 | S | 28 | Very low | 32.5 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -158.2 | 147.1 | 163 | 52.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 927 | T | 32.8 | Very low | 31.8 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 87% | 0.871 | 72% | 0.72 | S | S | * | * | trans | 68.2 | 139.6 | -160.6 | 75.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 928 | S | 33.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | cis | -144.7 | 178.7 | -7 | 47.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 929 | N | 30.4 | Very low | 30.7 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -80 | 177.2 | -166.9 | -65.5 | -8 | 0 | 0 | 0 | 115.7 | ||||
| 930 | D | 31.1 | Very low | 30.2 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | 81.3 | 151.5 | 151.6 | -54.9 | -43.9 | 0 | 0 | 0 | 119.3 | ||||
| 931 | G | 30.5 | Very low | 29.6 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 109 | 79.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 932 | S | 27.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -82.5 | 138.7 | 169 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 933 | I | 29.3 | Very low | 28.8 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 168 | 151.6 | 135 | -87.4 | 156.8 | 0 | 0 | 0 | 109.6 | ||||
| 934 | S | 26.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -88 | 138.1 | -170.4 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 935 | S | 30.9 | Very low | 28 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -146.5 | 166.8 | 157.8 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 936 | N | 28.3 | Very low | 27.9 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | -119 | 174.1 | -173.3 | -101.1 | -53.3 | 0 | 0 | 0 | 111.7 | ||||
| 937 | S | 28 | Very low | 27.8 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 57.6 | 93.7 | 162.2 | 46.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 938 | I | 27.2 | Very low | 27.4 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | 64.6 | 116.1 | 88 | -64 | 171.8 | 0 | 0 | 0 | 114.1 | |||||
| 939 | S | 27 | Very low | 27.2 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 69.1 | 157.1 | 160.4 | 80.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 940 | S | 26.3 | Very low | 27.3 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | cis | -152.7 | 159.4 | 0.8 | -145.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 941 | N | 25.3 | Very low | 27.2 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 65.8 | 166.3 | 160.3 | -63.3 | 34.6 | 0 | 0 | 0 | 113.7 | ||||
| 942 | D | 24.7 | Very low | 27.1 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | cis | -157.9 | -173.6 | -22.3 | -122.2 | -48.9 | 0 | 0 | 0 | 109.1 | ||||
| 943 | I | 24.5 | Very low | 27.1 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | trans | 64.2 | 113.2 | 142.5 | -76.4 | 160.4 | 0 | 0 | 0 | 119.2 | ||||
| 944 | H | 25.2 | Very low | 27.1 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | 67.4 | 121.8 | 141.3 | -75.8 | -130.2 | 0 | 0 | 0 | 119.4 | ||||
| 945 | R | 23.6 | Very low | 27.1 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | 84.9 | 138 | 67.9 | -171.5 | -159 | -73.1 | -169 | -2.7 | 111.2 | |||||
| 946 | Y | 24.5 | Very low | 26.9 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | trans | 84 | 153.2 | 177.3 | -57.2 | -53.2 | 0 | 0 | 0 | 114.9 | ||||
| 947 | K | 26.1 | Very low | 26.7 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | cis | -153.8 | 142 | -3.2 | -128 | 158.2 | -167 | 177.7 | 0 | 111.4 | ||||
| 948 | N | 25.4 | Very low | 26.6 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | 43.7 | -178.6 | 137.6 | -61.7 | 22.5 | 0 | 0 | 0 | 121.2 | ||||
| 949 | I | 28.5 | Very low | 26.6 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | 79.1 | 111.6 | 176.1 | -51.1 | 171.9 | 0 | 0 | 0 | 110.8 | ||||
| 950 | D | 32.8 | Very low | 26.8 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | cis | -133.1 | 144.7 | 13.7 | -103.1 | -44.2 | 0 | 0 | 0 | 115 | ||||
| 951 | N | 28.9 | Very low | 27.1 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 64% | 0.642 | 69% | 0.691 | S | S | * | * | 20.2 | 151.7 | 118.5 | -64.9 | -43.7 | 0 | 0 | 0 | 119.6 | |||||
| 952 | Q | 28.4 | Very low | 27.2 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | cis | -175.1 | 171 | -1.9 | -110.9 | -177.8 | 49.1 | 0 | 0 | 108.6 | ||||
| 953 | H | 27.8 | Very low | 27.6 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 58% | 0.583 | 69% | 0.685 | S | S | * | * | cis | -160.4 | 153.6 | -22.4 | -145.5 | -48.1 | 0 | 0 | 0 | 107.3 | ||||
| 954 | H | 28.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 63% | 0.625 | 69% | 0.685 | S | S | * | * | trans | 63 | 177.1 | 161.6 | -60.2 | -60.2 | 0 | 0 | 0 | 116.2 | ||||
| 955 | H | 28.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 65% | 0.648 | 69% | 0.692 | S | S | * | * | cis | -148.4 | 164.2 | -38.5 | -113.1 | -46.1 | 0 | 0 | 0 | 110.2 | ||||
| 956 | H | 25.9 | Very low | 28.4 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | trans | 22.7 | 127.2 | 146.9 | -78.6 | -61.2 | 0 | 0 | 0 | 123.6 | ||||
| 957 | N | 23.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | trans | 79.3 | 157.3 | 131.8 | -56.2 | -7 | 0 | 0 | 0 | 120.6 | ||||
| 958 | T | 26.1 | Very low | 28.7 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | trans | 67.4 | 141.3 | 170.7 | 64.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 959 | S | 28.3 | Very low | 29 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | cis | -161.3 | 169.5 | -10 | 40.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 960 | L | 29.6 | Very low | 28.9 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | -65.5 | 162.8 | 178.8 | -78.2 | 151 | 0 | 0 | 0 | 114 | ||||
| 961 | P | 32.4 | Very low | 28.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | -109.3 | 142.4 | 73.5 | -7 | 27.7 | 0 | 0 | 0 | 113 | |||||
| 962 | Q | 29.2 | Very low | 28.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 62% | 0.617 | 68% | 0.679 | S | S | * | * | 66.2 | 133.1 | 67 | -63 | -178 | -17.8 | 0 | 0 | 113 | |||||
| 963 | F | 31.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 62% | 0.618 | 68% | 0.678 | S | S | * | * | cis | -146.8 | 158.4 | 38.9 | -90.4 | -78.2 | 0 | 0 | 0 | 116.8 | ||||
| 964 | Y | 31.7 | Very low | 28.9 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | 54.5 | 116.6 | 154.4 | -64.5 | -48.6 | 0 | 0 | 0 | 119.9 | ||||
| 965 | H | 30.8 | Very low | 28.9 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | 78.1 | 140.9 | 70 | -84.1 | 15.7 | 0 | 0 | 0 | 113.7 | |||||
| 966 | S | 29 | Very low | 29 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 53% | 0.531 | 69% | 0.691 | S | S | . | * | cis | -169.2 | 156.6 | -11.6 | -119.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 967 | N | 27.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | 64.4 | 160.7 | 142.9 | -67.4 | 42.6 | 0 | 0 | 0 | 117.7 | ||||
| 968 | D | 29.6 | Very low | 29.6 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | cis | -153.2 | 167.5 | -4.6 | -131.7 | -35.4 | 0 | 0 | 0 | 112.8 | ||||
| 969 | L | 31.2 | Very low | 29.7 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | trans | 53.8 | 155.9 | 152.5 | -60.6 | 171 | 0 | 0 | 0 | 120.6 | ||||
| 970 | R | 26.2 | Very low | 29.8 | Very low | 205 Ų | 205 | 133.5 Ų | 133.5 | 77% | 0.774 | 69% | 0.69 | S | S | * | * | cis | -176 | 157.6 | -44 | -122.8 | -168.8 | -178.6 | 144.3 | -2.6 | 107.3 | ||||
| 971 | N | 27.7 | Very low | 29.9 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | trans | 70.1 | 140.1 | 143.2 | -83 | 47.2 | 0 | 0 | 0 | 123.4 | ||||
| 972 | D | 30.6 | Very low | 29.7 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | 73.5 | 138.2 | 135 | -63.7 | -22.9 | 0 | 0 | 0 | 121.9 | ||||
| 973 | N | 27.7 | Very low | 29.9 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | cis | -165 | -167.4 | -26.6 | -143.5 | -57 | 0 | 0 | 0 | 109 | ||||
| 974 | I | 31.2 | Very low | 29.9 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | trans | 71.5 | 104.4 | 162.5 | -63.3 | 144.3 | 0 | 0 | 0 | 113 | ||||
| 975 | Q | 28.1 | Very low | 29.8 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | 66.5 | 143.2 | 79.8 | -65.4 | 170.1 | -27.5 | 0 | 0 | 112.8 | |||||
| 976 | S | 31.1 | Very low | 29.7 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | cis | -156.2 | 157.4 | 18.3 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 977 | N | 29.5 | Very low | 29.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | 39.8 | 143.7 | 139.7 | -46.5 | -13.3 | 0 | 0 | 0 | 120.5 | ||||
| 978 | F | 33.1 | Very low | 29.9 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 82% | 0.82 | 72% | 0.722 | S | S | * | * | cis | -137.5 | 143.2 | 23.2 | -78.3 | -103.3 | 0 | 0 | 0 | 110.2 | ||||
| 979 | N | 28.1 | Very low | 30 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | cis | 78.4 | 113 | 47.8 | -88.4 | 1.7 | 0 | 0 | 0 | 116.6 | ||||
| 980 | G | 30.5 | Very low | 29.9 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | 106.3 | 145.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 981 | I | 32.3 | Very low | 29.9 | Very low | 159 Ų | 159 | 133 Ų | 133 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | cis | -147.6 | 117.8 | -7.1 | -95.2 | 149.5 | 0 | 0 | 0 | 104.6 | ||||
| 982 | N | 27.7 | Very low | 29.8 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 52.3 | 110.2 | 92.6 | -94.5 | 26.6 | 0 | 0 | 0 | 115.2 | |||||
| 983 | D | 32.5 | Very low | 29.6 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | 171.3 | 128.5 | 108.5 | -88 | -20.3 | 0 | 0 | 0 | 111.3 | |||||
| 984 | Q | 30.6 | Very low | 29.6 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | 65.1 | 134.5 | 101.4 | -60.6 | -176.5 | 63.7 | 0 | 0 | 114.7 | |||||
| 985 | S | 30.9 | Very low | 29.3 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -157.2 | 170 | -0.5 | 51.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 986 | N | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 27 | 133.2 | 144.9 | -51.3 | -18.4 | 0 | 0 | 0 | 118.9 | ||||
| 987 | D | 32.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | -154 | 173.7 | 66.4 | -155.7 | 2.3 | 0 | 0 | 0 | 115.6 | |||||
| 988 | L | 27.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -104.2 | 104 | -165.1 | -71.7 | 155.2 | 0 | 0 | 0 | 113.9 | ||||
| 989 | G | 31.2 | Very low | 29 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -110.9 | 102.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 990 | K | 29.2 | Very low | 28.9 | Very low | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | -79.7 | 124.6 | -172.6 | -67.8 | 174.1 | -178.1 | 168 | 0 | 115.6 | ||||
| 991 | S | 25.9 | Very low | 28.9 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 77.8 | 148.5 | 129.3 | 77.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 992 | S | 25.5 | Very low | 28.7 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 81.5 | 101.1 | 139.9 | -74 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 993 | I | 26.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | 50.6 | 114.9 | 121.2 | -54.7 | 164 | 0 | 0 | 0 | 118.1 | |||||
| 994 | K | 29.1 | Very low | 28.5 | Very low | 187 Ų | 187 | 141 Ų | 141 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | -161 | 111.4 | 123.7 | -103.6 | 137.8 | -165.4 | 162.6 | 0 | 113.9 | |||||
| 995 | Y | 24.5 | Very low | 28.4 | Very low | 231 Ų | 231 | 138.4 Ų | 138.4 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -64.7 | 137.3 | 141.3 | -97 | -102.8 | 0 | 0 | 0 | 108.3 | ||||
| 996 | K | 30.3 | Very low | 28.2 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -142.7 | 153 | 155.2 | -95.8 | -162.7 | 172.9 | -172.1 | 0 | 109.7 | ||||
| 997 | S | 27.5 | Very low | 28.1 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -125.9 | -179.6 | -175.9 | 62 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 998 | T | 28.9 | Very low | 27.8 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | 88.2 | 105.9 | 153.7 | -48.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 999 | I | 27.7 | Very low | 27.8 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | 45.6 | 119.3 | 132.6 | -49.6 | 171.5 | 0 | 0 | 0 | 116 | ||||
| 1000 | S | 27.9 | Very low | 27.7 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | -175.7 | 160.5 | 71.1 | -147.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1001 | N | 30.1 | Very low | 27.7 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 62.9 | 124.9 | 141.2 | -75.9 | -4 | 0 | 0 | 0 | 124.7 | ||||
| 1002 | V | 27.8 | Very low | 28.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | 87.4 | 147 | 129.5 | 174.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1003 | L | 26.7 | Very low | 28.6 | Very low | 144 Ų | 144 | 135 Ų | 135 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -55.9 | 160.4 | 177 | -57.4 | 149.3 | 0 | 0 | 0 | 111.3 | ||||
| 1004 | D | 29.8 | Very low | 28.8 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | -166 | 162.7 | 57.4 | -111.2 | -47.8 | 0 | 0 | 0 | 116 | |||||
| 1005 | T | 28.3 | Very low | 29.1 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | 50.1 | 108.3 | 145.5 | -54.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1006 | V | 26.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | 9.2 | 148.5 | 132.4 | -152.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1007 | V | 27 | Very low | 29.6 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 66% | 0.655 | 75% | 0.745 | S | S | * | * | trans | 125.6 | 111.4 | 144 | 177.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1008 | E | 26.6 | Very low | 30 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | 54.6 | 169.4 | 148.8 | -67.1 | 169.7 | -171.3 | 0 | 0 | 121.7 | ||||
| 1009 | A | 28 | Very low | 30.3 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | cis | -164.5 | 158.2 | -43.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1010 | S | 27.6 | Very low | 30.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 78.8 | 154.6 | 156.9 | 89 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1011 | S | 30.3 | Very low | 31 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 71.5 | 139.2 | 154.5 | -50 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1012 | N | 33.1 | Very low | 31.3 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | cis | -150.7 | 172.4 | -0.4 | -111.4 | -14.2 | 0 | 0 | 0 | 111.3 | ||||
| 1013 | P | 35.8 | Very low | 31.7 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -136.1 | -162.4 | -149.5 | 41.1 | -21 | 0 | 0 | 0 | 117.1 | ||||
| 1014 | R | 32 | Very low | 32.2 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | 87.4 | 154.1 | 172.3 | -62.6 | 176.2 | 171.5 | 176.9 | -3.2 | 114.4 | ||||
| 1015 | I | 35.2 | Very low | 32.4 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | cis | -137.2 | 145.4 | 35.5 | -73.8 | 171.1 | 0 | 0 | 0 | 114.4 | ||||
| 1016 | Q | 31.3 | Very low | 32.8 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | 13.5 | 152.8 | 152.2 | -56.5 | 169.7 | -1.8 | 0 | 0 | 121.4 | ||||
| 1017 | S | 34.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -139 | -152.4 | 10.4 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1018 | S | 34.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -163.9 | -167.8 | 2.1 | 37.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1019 | T | 36.5 | Very low | 33.8 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | -143.1 | 167.8 | -81.9 | 43 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1020 | K | 35.3 | Very low | 34 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | 70.8 | 145.1 | 175.2 | -55.4 | -167.5 | 173.9 | -173.8 | 0 | 117.5 | ||||
| 1021 | D | 35 | Very low | 34 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | -170 | 159.6 | -19.5 | -92.3 | -30.7 | 0 | 0 | 0 | 107.7 | ||||
| 1022 | S | 36.2 | Very low | 33.9 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | cis | -167.2 | 154.2 | -32 | 64.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1023 | Q | 36 | Very low | 34 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | 66.6 | 154.9 | 165.1 | -54.5 | 179.9 | 8.4 | 0 | 0 | 117.9 | ||||
| 1024 | V | 36.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | cis | -132.3 | 124.5 | 16.6 | 175 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1025 | N | 34 | Very low | 33.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | trans | 23.4 | 155.8 | 132 | -54 | -13.1 | 0 | 0 | 0 | 121.9 | ||||
| 1026 | N | 36.8 | Very low | 33.3 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -159.6 | 165.5 | 25.7 | -145.3 | -5.3 | 0 | 0 | 0 | 115.7 | ||||
| 1027 | I | 35.5 | Very low | 33.2 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | trans | 69.3 | 142.8 | 161 | -71.9 | 164.5 | 0 | 0 | 0 | 115.4 | ||||
| 1028 | I | 35.6 | Very low | 33 | Very low | 128 Ų | 128 | 132 Ų | 132 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | cis | -152.7 | 135.4 | -17.8 | -109.3 | 179.3 | 0 | 0 | 0 | 105.3 | ||||
| 1029 | Q | 29.2 | Very low | 32.7 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | 64.5 | 136.7 | 74.7 | -60.7 | -173.7 | 9.4 | 0 | 0 | 114.6 | |||||
| 1030 | T | 32.2 | Very low | 32.4 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | cis | -159.1 | 137.4 | -0.7 | 20.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1031 | K | 28.1 | Very low | 32.2 | Very low | 173 Ų | 173 | 131 Ų | 131 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | 80 | 103.1 | 57.5 | -85.2 | -161.8 | 171.3 | -177.2 | 0 | 117.5 | |||||
| 1032 | F | 29 | Very low | 32.2 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | trans | 60.8 | 171.9 | 138.5 | -69.9 | -64.1 | 0 | 0 | 0 | 120.2 | ||||
| 1033 | P | 35.4 | Very low | 32.2 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | cis | -139.4 | 174.2 | -40.2 | 36.7 | -18.9 | 0 | 0 | 0 | 116.3 | ||||
| 1034 | S | 29.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | 67.3 | 138.1 | 139.4 | 60.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1035 | N | 28.3 | Very low | 32 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | trans | 81.8 | 139.2 | 144.8 | -77.9 | 33.8 | 0 | 0 | 0 | 122.9 | ||||
| 1036 | E | 30.1 | Very low | 32.1 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | trans | 64 | 146.7 | 147 | -71.1 | 157.3 | -123.7 | 0 | 0 | 119.2 | ||||
| 1037 | T | 28.4 | Very low | 32.1 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | cis | -160 | 153.1 | -23.4 | 11.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1038 | A | 29.4 | Very low | 32 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | trans | 46.2 | 139.2 | 148 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1039 | N | 29.1 | Very low | 31.8 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | 70.9 | 146.3 | 150.7 | -63 | -6.1 | 0 | 0 | 0 | 118.2 | ||||
| 1040 | T | 29.8 | Very low | 32 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | cis | -164.2 | 158.3 | -11.2 | 16.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1041 | N | 32.3 | Very low | 32 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | 77.2 | 139.5 | 145.4 | -67.3 | -6 | 0 | 0 | 0 | 122.8 | ||||
| 1042 | N | 33.7 | Very low | 32.2 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | trans | 71.8 | 142.9 | 148 | -61.9 | -2.4 | 0 | 0 | 0 | 118.5 | ||||
| 1043 | H | 36.9 | Very low | 32.3 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 65% | 0.653 | 68% | 0.681 | S | S | * | * | cis | -163.5 | 164.5 | -6 | -94.8 | -23.6 | 0 | 0 | 0 | 106.8 | ||||
| 1044 | N | 34.2 | Very low | 32.1 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | cis | -166.9 | 172.6 | -17.9 | -103.8 | 0.4 | 0 | 0 | 0 | 108 | ||||
| 1045 | Y | 34.5 | Very low | 31.9 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | trans | 69.7 | 145.4 | 168.3 | -45 | -70.7 | 0 | 0 | 0 | 115.5 | ||||
| 1046 | H | 35.9 | Very low | 32.2 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | cis | -167.6 | 153.1 | -15.1 | -110.7 | -12.9 | 0 | 0 | 0 | 108 | ||||
| 1047 | H | 36 | Very low | 32.2 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 63% | 0.625 | 69% | 0.692 | S | S | * | * | cis | -162.3 | -150.6 | -12.6 | -152.3 | 3.5 | 0 | 0 | 0 | 112 | ||||
| 1048 | Q | 34.2 | Very low | 32.2 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 64% | 0.64 | 69% | 0.693 | S | S | * | * | trans | -18.5 | 152.6 | 158.3 | -67.5 | 175.2 | 33.5 | 0 | 0 | 117.6 | ||||
| 1049 | N | 30.6 | Very low | 32.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | cis | 175.5 | 173.5 | 2.1 | -103.2 | -8.3 | 0 | 0 | 0 | 105.9 | ||||
| 1050 | T | 34.2 | Very low | 32.3 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | cis | -153.3 | 147.5 | 5.4 | 27 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1051 | H | 33 | Very low | 32.3 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | trans | 51.6 | 150.3 | 147.9 | -64.4 | -59 | 0 | 0 | 0 | 120.6 | ||||
| 1052 | S | 31.4 | Very low | 32 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | cis | -170.7 | 152.9 | -3.1 | 38.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1053 | T | 31.4 | Very low | 31.9 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | cis | -161.7 | 144.9 | 5.6 | 8.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1054 | L | 30.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 48.7 | 106.7 | 147.4 | -58.3 | 164.1 | 0 | 0 | 0 | 118.5 | ||||
| 1055 | L | 27 | Very low | 30.9 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | 83.7 | 144.4 | 51.7 | -67.6 | 172.8 | 0 | 0 | 0 | 116.2 | |||||
| 1056 | P | 34.1 | Very low | 30.5 | Very low | 105 Ų | 105 | 137 Ų | 137 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -114.2 | -175.3 | -170.5 | 44.5 | -36.2 | 0 | 0 | 0 | 115.3 | ||||
| 1057 | S | 29.4 | Very low | 30.1 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 81.9 | 144.9 | 149 | -62.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1058 | T | 28.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 69.4 | 159.4 | 173 | 80.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1059 | H | 31.6 | Very low | 29.5 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | cis | -145.5 | 158.5 | 14.1 | -133.3 | -71.8 | 0 | 0 | 0 | 112.3 | ||||
| 1060 | L | 28.8 | Very low | 29.6 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -71.2 | 141.4 | 169.5 | -73.2 | 161.9 | 0 | 0 | 0 | 112.7 | ||||
| 1061 | K | 29.4 | Very low | 29.3 | Very low | 213 Ų | 213 | 144.7 Ų | 144.7 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -165 | 155.4 | 140.3 | -112.2 | 162.9 | -173.5 | 175.6 | 0 | 113.9 | ||||
| 1062 | F | 27.2 | Very low | 29.1 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -103.4 | 130.9 | -177.2 | -105.7 | -104.1 | 0 | 0 | 0 | 111.8 | ||||
| 1063 | S | 31.1 | Very low | 29 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -167.7 | 114.3 | 149.9 | 47.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 1064 | S | 24.4 | Very low | 29 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | 79.1 | 119.1 | 54 | 77 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1065 | I | 25.6 | Very low | 28.9 | Very low | 162 Ų | 162 | 148.2 Ų | 148.2 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | 72.7 | 130.9 | 159.6 | -57.6 | 162.5 | 0 | 0 | 0 | 114.5 | ||||
| 1066 | S | 26.7 | Very low | 28.9 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | cis | -162.8 | 162.9 | -13.5 | 55 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1067 | N | 26.2 | Very low | 28.6 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 27.3 | 117.5 | 148.7 | -60.5 | -11.3 | 0 | 0 | 0 | 120.9 | ||||
| 1068 | K | 31.2 | Very low | 28.9 | Very low | 215 Ų | 215 | 149.4 Ų | 149.4 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | -155.7 | 102.4 | 125.6 | -113.7 | 159.9 | -171.4 | 170.2 | 0 | 112.5 | |||||
| 1069 | T | 26.7 | Very low | 29.1 | Very low | 129 Ų | 129 | 152.7 Ų | 152.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 138 | 170.4 | 47.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1070 | K | 32.6 | Very low | 29 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -134.6 | 143.3 | 147.4 | -84.5 | -166.9 | 172.9 | -177.9 | 0 | 109.8 | ||||
| 1071 | N | 28 | Very low | 29.1 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 60% | 0.599 | 79% | 0.785 | S | S | * | * | trans | -90 | -172.5 | -173.8 | -80.1 | -26.9 | 0 | 0 | 0 | 112.4 | ||||
| 1072 | F | 29.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 146 Ų | 146 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | 84.8 | 135.2 | 173.2 | -56.4 | -76 | 0 | 0 | 0 | 114.9 | ||||
| 1073 | N | 28.4 | Very low | 29.5 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | cis | -155.8 | 136.3 | -7.9 | -140.1 | -4.8 | 0 | 0 | 0 | 111 | K1075 | N1073-K1075 PolarHBondContact O-N 3.49Š| ||
| 1074 | P | 31.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -91.9 | 100.6 | 176.4 | 33.6 | -30.9 | 0 | 0 | 0 | 112.3 | ||||
| 1075 | K | 28.5 | Very low | 29.8 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -140.1 | 130.5 | 165.4 | -76.4 | -165.9 | 175.8 | -175.5 | 0 | 112.8 | N1073 | N1073-K1075 PolarHBondContact O-N 3.49Š| ||
| 1076 | Q | 27.2 | Very low | 29.9 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 12.4 | 135.7 | 140.7 | -62.4 | 158 | -23 | 0 | 0 | 117 | ||||
| 1077 | S | 28.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | -162.5 | 170.3 | 56.8 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1078 | P | 35.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -113.5 | 157.3 | -178.2 | 40.2 | -30.8 | 0 | 0 | 0 | 114.9 | ||||
| 1079 | F | 32.2 | Very low | 30.2 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -135.3 | 127.9 | 157.3 | -85.8 | -96.3 | 0 | 0 | 0 | 108.6 | ||||
| 1080 | N | 29 | Very low | 30.3 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | 71.5 | 119 | 50.1 | -85.8 | -18.1 | 0 | 0 | 0 | 115.6 | |||||
| 1081 | L | 32 | Very low | 30.1 | Very low | 178 Ų | 178 | 143.1 Ų | 143.1 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | trans | -123.1 | 135 | 135.8 | -134.5 | 82.2 | 0 | 0 | 0 | 108 | ||||
| 1082 | T | 31.1 | Very low | 30 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | -104.9 | 154.8 | -171.5 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1083 | T | 33.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | 179 | 163.8 | 82.1 | 33.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 1084 | K | 32.4 | Very low | 29.9 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | cis | -146 | 146.4 | 18.1 | -137 | 164.3 | -170.5 | 176.3 | 0 | 109.9 | ||||
| 1085 | L | 29.5 | Very low | 29.7 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 175.7 | 166.8 | -87.2 | 80.8 | 0 | 0 | 0 | 108.8 | ||||
| 1086 | D | 28.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | -175.7 | 166.8 | 60.3 | -124.1 | -55.6 | 0 | 0 | 0 | 116.8 | |||||
| 1087 | H | 33.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | 72.7 | 144 | 160.2 | -59.3 | -6.7 | 0 | 0 | 0 | 118.9 | ||||
| 1088 | I | 30.9 | Very low | 29.5 | Very low | 143 Ų | 143 | 141 Ų | 141 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -151.7 | 150.4 | -7.7 | -118.2 | 162.7 | 0 | 0 | 0 | 110.1 | ||||
| 1089 | N | 25.7 | Very low | 29.1 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -88.6 | 153.6 | 172.4 | -61 | -55.9 | 0 | 0 | 0 | 111.4 | ||||
| 1090 | T | 29.1 | Very low | 28.7 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | -167.6 | 144.1 | 134.2 | 16.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1091 | L | 29 | Very low | 28.7 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | 65.4 | 91.5 | 144.4 | -63.9 | 165.6 | 0 | 0 | 0 | 121 | ||||
| 1092 | N | 26.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | 68.3 | 140.2 | 106.2 | -76.3 | 44.1 | 0 | 0 | 0 | 123.5 | |||||
| 1093 | D | 26.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 58.9 | 111.3 | 147.3 | -51.7 | -33.9 | 0 | 0 | 0 | 120.3 | ||||
| 1094 | V | 28.4 | Very low | 28 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | -176.9 | 135.9 | 103.5 | 151.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1095 | N | 27.8 | Very low | 27.7 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -6.4 | 147.8 | 167.9 | -62 | -40 | 0 | 0 | 0 | 124 | ||||
| 1096 | V | 26.4 | Very low | 27.7 | Very low | 133 Ų | 133 | 141 Ų | 141 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -55.7 | 133.2 | 161.1 | 174.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1097 | T | 26.6 | Very low | 27.6 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -170.5 | 164.4 | 131.8 | 14 | 0 | 0 | 0 | 0 | 114 | ||||
| 1098 | N | 26.5 | Very low | 27.6 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -53.5 | 157.2 | -174.4 | -55.6 | -38.4 | 0 | 0 | 0 | 116.3 | ||||
| 1099 | I | 27.4 | Very low | 27.6 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | -159.4 | 153.8 | 120.3 | -102.6 | 153.8 | 0 | 0 | 0 | 111.6 | |||||
| 1100 | N | 24.9 | Very low | 27.8 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 157.1 | -168 | -51 | -56.7 | 0 | 0 | 0 | 115 | ||||
| 1101 | Y | 27.8 | Very low | 27.9 | Very low | 235 Ų | 235 | 143.1 Ų | 143.1 | 92% | 0.922 | 74% | 0.74 | S | S | * | * | trans | -123.2 | 139.7 | 146.6 | -97.7 | -88.3 | 0 | 0 | 0 | 110.4 | ||||
| 1102 | T | 28.3 | Very low | 28 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 63% | 0.632 | 74% | 0.735 | S | S | * | * | trans | -96 | 151.1 | -161.3 | 43.2 | 0 | 0 | 0 | 0 | 113.9 | L1104 | T1102-L1104 PolarHBondContact O-N 3.29Š| ||
| 1103 | P | 25.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | trans | -73.8 | 103.6 | 165.2 | 30.8 | -31.4 | 0 | 0 | 0 | 109.1 | I1105 | P1103-I1105 PolarHBondContact O-N 3.39Š| ||
| 1104 | L | 27.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 74.9 | 174.7 | -92.8 | 168.7 | 0 | 0 | 0 | 111.7 | T1102 N1106 | T1102-L1104 PolarHBondContact O-N 3.29Å; L1104-N1106 PolarHBondContact O-N 3.13Å | ||
| 1105 | I | 26.5 | Very low | 28.7 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | -66 | 108 | 158.7 | -62 | 174 | 0 | 0 | 0 | 106.9 | P1103 Y1107 | P1103-I1105 PolarHBondContact O-N 3.39Å; I1105-Y1107 HydrophobicContact CG2-CD2 3.7Å | ||
| 1106 | N | 29.4 | Very low | 29.1 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -103 | 98.7 | 170.6 | -160.7 | -8.8 | 0 | 0 | 0 | 109.5 | L1104 | L1104-N1106 PolarHBondContact O-N 3.13Š| ||
| 1107 | Y | 27 | Very low | 29.5 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -97.6 | 106.6 | -171.8 | -137.2 | -75.1 | 0 | 0 | 0 | 110.3 | I1105 | I1105-Y1107 HydrophobicContact CG2-CD2 3.7Š| ||
| 1108 | N | 31.8 | Very low | 29.8 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | -153.7 | 97.3 | 159.7 | -90.1 | -49 | 0 | 0 | 0 | 108.1 | ||||
| 1109 | K | 30.9 | Very low | 29.9 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | 70 | 88 | 83.9 | -80.9 | -170.6 | 170.1 | -179.1 | 0 | 114.2 | |||||
| 1110 | Q | 30.9 | Very low | 30 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 57% | 0.565 | 74% | 0.737 | S | S | * | * | 177.2 | 122 | 117 | -92.1 | 146.4 | 17.5 | 0 | 0 | 108.4 | S640 | S640-Q1110 PolarHBondContact OG-NE2 2.89Š| |||
| 1111 | Q | 30.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | 61.7 | 131.6 | 96.5 | -67.2 | -176.7 | -4.4 | 0 | 0 | 113.3 | |||||
| 1112 | H | 31.5 | Very low | 30.4 | Very low | 131 Ų | 131 | 144 Ų | 144 | 61% | 0.606 | 74% | 0.744 | S | S | * | * | cis | -155 | 138.9 | -1.8 | -120 | -71 | 0 | 0 | 0 | 106.1 | ||||
| 1113 | L | 32.3 | Very low | 30.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | -179.9 | 161.1 | 91.7 | -97 | 134.8 | 0 | 0 | 0 | 110.9 | |||||
| 1114 | L | 28.6 | Very low | 30.7 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -120.5 | -173.2 | -178.3 | -82.3 | 168.5 | 0 | 0 | 0 | 109.2 | ||||
| 1115 | P | 35.1 | Very low | 30.9 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -125.8 | -152.7 | 1 | 43.9 | -25.7 | 0 | 0 | 0 | 111.7 | ||||
| 1116 | Q | 36.5 | Very low | 31 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -151.5 | 147.7 | -3.5 | -144.2 | -150.6 | 52.1 | 0 | 0 | 109.4 | ||||
| 1117 | P | 33.3 | Very low | 31.2 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | trans | -104.1 | 119 | 171.4 | 34.8 | -26.8 | 0 | 0 | 0 | 112.8 | I1119 | P1117-I1119 PolarHBondContact O-N 2.78Š| ||
| 1118 | V | 33.1 | Very low | 31.5 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -80.9 | 111.9 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1119 | I | 28.5 | Very low | 31.6 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -87.4 | 117.6 | 161.9 | -56.6 | 171.8 | 0 | 0 | 0 | 107.7 | P1117 | P1117-I1119 PolarHBondContact O-N 2.78Š| ||
| 1120 | L | 30.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 170.9 | 121.3 | 139.9 | -115 | 85.1 | 0 | 0 | 0 | 110.7 | ||||
| 1121 | S | 32.4 | Very low | 31.9 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 167.4 | 67.1 | 146.7 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1122 | R | 27.8 | Very low | 32 | Very low | 238 Ų | 238 | 154.6 Ų | 154.6 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -141.7 | 33.1 | 167.2 | -137.8 | 174.7 | -166.8 | 166.7 | 7.1 | 115.8 | ||||
| 1123 | L | 28.4 | Very low | 32.1 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -133.8 | 70.5 | 171.3 | -74.4 | 174.9 | 0 | 0 | 0 | 111 | ||||
| 1124 | K | 31.4 | Very low | 32.3 | Very low | 212 Ų | 212 | 157.4 Ų | 157.4 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -143.1 | 62.3 | 160.9 | -80.1 | -155.2 | 174.4 | -173.7 | 0 | 110.8 | ||||
| 1125 | S | 32.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 163.3 Ų | 163.3 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -162.3 | 138.2 | 165.1 | -68.4 | 0 | 0 | 0 | 0 | 105.5 | ||
| 1126 | L | 29 | Very low | 32.4 | Very low | 178 Ų | 178 | 166 Ų | 166 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | S | Bend | trans | 67.6 | 74.6 | -167.8 | -52.3 | 172.7 | 0 | 0 | 0 | 115.1 | ||
| 1127 | K | 32.7 | Very low | 32.2 | Very low | 209 Ų | 209 | 166.4 Ų | 166.4 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -162.8 | 68.5 | 136.8 | -114.1 | -174.4 | 179.6 | -166.4 | 0 | 110.9 | ||||
| 1128 | Q | 32.6 | Very low | 32.2 | Very low | 182 Ų | 182 | 169.3 Ų | 169.3 | 85% | 0.85 | 85% | 0.852 | S | S | * | * | trans | -100 | 156.9 | 152.2 | -166.1 | 170.8 | 9.5 | 0 | 0 | 105.8 | ||||
| 1129 | I | 34.4 | Very low | 32.1 | Very low | 140 Ų | 140 | 171.8 Ų | 171.8 | 72% | 0.718 | 86% | 0.856 | S | S | * | * | S | Bend | trans | 79.3 | 107.2 | -171.5 | -49.9 | 168 | 0 | 0 | 0 | 113.5 | ||
| 1130 | N | 33.2 | Very low | 32.3 | Very low | 153 Ų | 153 | 173.1 Ų | 173.1 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | trans | 59.1 | 140.8 | 153 | -52 | -4.5 | 0 | 0 | 0 | 118.6 | ||||
| 1131 | S | 34.7 | Very low | 32.5 | Very low | 111 Ų | 111 | 174.3 Ų | 174.3 | 78% | 0.776 | 87% | 0.865 | S | S | * | * | cis | -139.8 | 156.5 | 25.4 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1132 | N | 33.1 | Very low | 32.5 | Very low | 153 Ų | 153 | 177.9 Ų | 177.9 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | trans | -74.3 | -176.3 | 162.6 | -67.3 | -11.8 | 0 | 0 | 0 | 111.3 | ||||
| 1133 | K | 33.9 | Very low | 32.8 | Very low | 185 Ų | 185 | 173.2 Ų | 173.2 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | trans | 85.8 | 98.8 | -176.4 | -53.8 | -158.9 | 168.8 | -173.9 | 0 | 113.5 | ||||
| 1134 | E | 35.6 | Very low | 33.2 | Very low | 166 Ų | 166 | 173.7 Ų | 173.7 | 78% | 0.776 | 86% | 0.861 | S | S | * | * | 97.8 | 79.9 | 59.3 | -80.6 | 165 | 158.9 | 0 | 0 | 112 | |||||
| 1135 | K | 35.1 | Very low | 33.4 | Very low | 286 Ų | 286 | 170.2 Ų | 170.2 | 100% | 1.243 | 86% | 0.855 | S | S | * | * | -162.3 | 0 | 128.4 | -107.8 | 178.7 | -177.5 | -176.9 | 0 | 109.9 |
Retrieved 1,135 of 1,135 residues in 1458.4 ms
(Link to these results)