| 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 | 67.6 | Low | 86.1 | Confident | 171 Ų | 171 | 74.9 Ų | 74.9 | 84% | 0.842 | 36% | 0.364 | S | S | * | . | 0 | 153.6 | 0 | -78.5 | 167.4 | 164.9 | 0 | 0 | 107.8 | Q201 | M1-Q201 HydrophobicContact CE-CG 4.2Š| |||
| 2 | L | 81.6 | Confident | 86.4 | Confident | 20 Ų | 20 | 74 Ų | 74 | 11% | 0.105 | 39% | 0.389 | C | S | . | . | trans | -70.9 | 154.3 | 175.7 | -60.9 | 170 | 0 | 0 | 0 | 110.7 | E6 I10 Y70 V105 N199 | L2-E6 WeakPolarHBondContact CA-OE2 3.47Å; L2-E6 HydrophobicContact CB-CB 4.02Å; L2-E6 HydrophobicContact CD2-CB 4.49Å; L2-I10 HydrophobicContact CD1-CD1 3.62Å; L2-Y70 HydrophobicContact CD1-CD2 3.81Å; L2-Y70 HydrophobicContact CD1-CE2 3.94Å; L2-V105 HydrophobicContact CD2-CG1 3.64Å; L2-N199 PolarHBondContact N-ND2 3.44Å; L2-N199 PolarHBondContact N-OD1 3.24Å; L2-N199 PolarHBondContact O-ND2 3.17Å; L2-N199 VanDerWaalsContact O-ND2 3.09Å | ||
| 3 | S | 85.9 | Confident | 86.8 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | trans | -70.4 | 164 | 171.8 | 87.8 | 0 | 0 | 0 | 0 | 111.4 | E5 E6 C7 | S3-E5 VanDerWaalsContact C-N 3.3Å; S3-E5 PolarHBondContact O-N 3.27Å; S3-E5 PolarHBondContact OG-N 3.33Å; S3-E6 PolarHBondContact N-OE2 2.82Å; S3-E6 PolarHBondContact O-N 2.88Å; S3-E6 VanDerWaalsContact OG-CG 3.3Å; S3-E6 WeakPolarHBondContact OG-CG 3.37Å; S3-E6 PolarHBondContact OG-N 3.23Å; S3-E6 VanDerWaalsContact OG-N 3.11Å; S3-C7 PolarHBondContact O-N 3.22Å; S3-C7 PolarHBondContact O-SG 2.9Å; S3-C7 VanDerWaalsContact O-SG 3.34Å | ||
| 4 | W | 84.3 | Confident | 87.4 | Confident | 215 Ų | 215 | 66.2 Ų | 66.2 | 81% | 0.814 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -37.6 | 176.1 | 179.3 | 76.5 | 0 | 0 | 0 | 112.5 | C7 A8 | W4-C7 PolarHBondContact O-N 3.14Å; W4-A8 WeakPolarHBondContact O-CB 3.28Å; W4-A8 PolarHBondContact O-N 3.44Å |
| 5 | E | 87.6 | Confident | 87.8 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.2 | -39.1 | 174.8 | -59.3 | 178.5 | 159.5 | 0 | 0 | 111.9 | S3 A8 F9 | S3-E5 VanDerWaalsContact C-N 3.3Å; S3-E5 PolarHBondContact O-N 3.27Å; S3-E5 PolarHBondContact OG-N 3.33Å; E5-A8 PolarHBondContact O-N 2.97Å; E5-F9 WeakPolarHBondContact O-CB 3.42Å; E5-F9 PolarHBondContact O-N 2.93Å |
| 6 | E | 89 | Confident | 88 | Confident | 36 Ų | 36 | 65 Ų | 65 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.8 | -71.9 | 167.3 | 175.6 | 0 | 0 | 111.6 | L2 S3 I10 V105 K107 | L2-E6 WeakPolarHBondContact CA-OE2 3.47Å; L2-E6 HydrophobicContact CB-CB 4.02Å; L2-E6 HydrophobicContact CD2-CB 4.49Å; S3-E6 PolarHBondContact N-OE2 2.82Å; S3-E6 PolarHBondContact O-N 2.88Å; S3-E6 VanDerWaalsContact OG-CG 3.3Å; S3-E6 WeakPolarHBondContact OG-CG 3.37Å; S3-E6 PolarHBondContact OG-N 3.23Å; S3-E6 VanDerWaalsContact OG-N 3.11Å; E6-I10 WeakPolarHBondContact O-CG1 3.47Å; E6-I10 PolarHBondContact O-N 3.05Å; E6-I10 VanDerWaalsContact O-N 3.08Å; E6-V105 HydrophobicContact CB-CG1 3.94Å; E6-V105 HydrophobicContact CG-CB 4.49Å; E6-V105 HydrophobicContact CG-CG1 3.99Å; E6-V105 HydrophobicContact CG-CG2 4.29Å; E6-K107 IonicContact OE1-NZ 3.73Å; E6-K107 PolarHBondContact OE1-NZ 3.17Å |
| 7 | C | 88.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -46.8 | 171.8 | -66.4 | 0 | 0 | 0 | 0 | 112 | S3 W4 F9 I10 E11 Y70 N199 | S3-C7 PolarHBondContact O-N 3.22Å; S3-C7 PolarHBondContact O-SG 2.9Å; S3-C7 VanDerWaalsContact O-SG 3.34Å; W4-C7 PolarHBondContact O-N 3.14Å; C7-F9 VanDerWaalsContact C-N 3.32Å; C7-F9 PolarHBondContact O-N 2.72Å; C7-I10 PolarHBondContact O-N 2.81Å; C7-I10 VanDerWaalsContact O-N 3.08Å; C7-E11 WeakPolarHBondContact O-CG 3.16Å; C7-E11 PolarHBondContact O-N 2.86Å; C7-Y70 HydrophobicContact CB-CE2 4.44Å; C7-Y70 WeakPolarHBondContact CB-OH 3.43Å; C7-N199 PolarHBondContact SG-ND2 3.35Å; C7-N199 VanDerWaalsContact SG-ND2 3.43Å |
| 8 | A | 88.6 | Confident | 87.9 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | W4 E5 G12 | W4-A8 WeakPolarHBondContact O-CB 3.28Å; W4-A8 PolarHBondContact O-N 3.44Å; E5-A8 PolarHBondContact O-N 2.97Å; A8-G12 PolarHBondContact O-N 3.18Å |
| 9 | F | 91.7 | Very high | 87.7 | Confident | 51 Ų | 51 | 58 Ų | 58 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 170.2 | 172.1 | -99.9 | 0 | 0 | 0 | 111.9 | E5 C7 V13 F14 E100 L101 V105 | E5-F9 WeakPolarHBondContact O-CB 3.42Å; E5-F9 PolarHBondContact O-N 2.93Å; C7-F9 VanDerWaalsContact C-N 3.32Å; C7-F9 PolarHBondContact O-N 2.72Å; F9-V13 HydrophobicContact CD2-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 3.94Å; F9-V13 VanDerWaalsContact O-CB 3.29Å; F9-V13 WeakPolarHBondContact O-CB 3.45Å; F9-V13 VanDerWaalsContact O-CG2 3.29Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.12Å; F9-F14 HydrophobicContact CE1-CE2 4.03Å; F9-E100 HydrophobicContact CZ-CB 4.14Å; F9-L101 HydrophobicContact CE1-CB 4.42Å; F9-L101 HydrophobicContact CE1-CD1 4.37Å; F9-V105 HydrophobicContact CD1-CG2 3.84Å; F9-V105 HydrophobicContact CE1-CG2 4.15Å |
| 10 | I | 92 | Very high | 87.2 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 178.6 | -74.6 | 168.1 | 0 | 0 | 0 | 111.2 | L2 E6 C7 V13 F14 T67 Y70 I87 L101 V105 | L2-I10 HydrophobicContact CD1-CD1 3.62Å; E6-I10 WeakPolarHBondContact O-CG1 3.47Å; E6-I10 PolarHBondContact O-N 3.05Å; E6-I10 VanDerWaalsContact O-N 3.08Å; C7-I10 PolarHBondContact O-N 2.81Å; C7-I10 VanDerWaalsContact O-N 3.08Å; I10-V13 PolarHBondContact O-N 3.43Å; I10-F14 WeakPolarHBondContact O-CB 3.3Å; I10-F14 PolarHBondContact O-N 3.42Å; I10-T67 HydrophobicContact CG2-CG2 3.92Å; I10-Y70 HydrophobicContact CD1-CD2 3.84Å; I10-Y70 HydrophobicContact CD1-CE2 4.16Å; I10-Y70 HydrophobicContact CD1-CG 4.42Å; I10-Y70 HydrophobicContact CG2-CD1 3.69Å; I10-Y70 HydrophobicContact CG2-CD2 4.09Å; I10-Y70 HydrophobicContact CG2-CE1 3.93Å; I10-Y70 HydrophobicContact CG2-CE2 4.33Å; I10-Y70 HydrophobicContact CG2-CG 3.77Å; I10-I87 HydrophobicContact CG1-CD1 4.28Å; I10-I87 HydrophobicContact CG2-CD1 3.88Å; I10-L101 HydrophobicContact CD1-CD1 4.08Å; I10-L101 HydrophobicContact CG1-CD1 3.83Å; I10-V105 HydrophobicContact CD1-CG1 4.39Å |
| 11 | E | 89.6 | Confident | 86.6 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -74.6 | -28.7 | -174 | -67.7 | 177.3 | -179.7 | 0 | 0 | 113.2 | C7 Y70 Q198 | C7-E11 WeakPolarHBondContact O-CG 3.16Å; C7-E11 PolarHBondContact O-N 2.86Å; E11-Y70 HydrophobicContact CG-CE1 3.83Å; E11-Y70 VanDerWaalsContact OE1-CE1 3.27Å; E11-Y70 WeakPolarHBondContact OE1-CE1 3.46Å; E11-Y70 VanDerWaalsContact OE1-CZ 3.32Å; E11-Y70 PolarHBondContact OE1-OH 3.12Å; E11-Q198 VanDerWaalsContact CD-NE2 3.3Å; E11-Q198 PolarHBondContact OE1-NE2 3.42Å |
| 12 | G | 89.6 | Confident | 86.8 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 66% | 0.66 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -77.1 | -23.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A8 | A8-G12 PolarHBondContact O-N 3.18Å |
| 13 | V | 92.5 | Very high | 86.2 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 24% | 0.236 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -111.5 | -41 | -172.3 | 177 | 0 | 0 | 0 | 0 | 113.1 | F9 I10 H97 | F9-V13 HydrophobicContact CD2-CG2 4.03Å; F9-V13 HydrophobicContact CE2-CG2 3.94Å; F9-V13 VanDerWaalsContact O-CB 3.29Å; F9-V13 WeakPolarHBondContact O-CB 3.45Å; F9-V13 VanDerWaalsContact O-CG2 3.29Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.12Å; I10-V13 PolarHBondContact O-N 3.43Å; V13-H97 HydrophobicContact CG1-CB 3.68Å |
| 14 | F | 94.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -95.6 | 128.4 | -172.4 | -68.2 | -90.8 | 0 | 0 | 0 | 112.3 | F9 I10 T67 I87 L89 T93 H97 I98 L101 | F9-F14 HydrophobicContact CE1-CE2 4.03Å; I10-F14 WeakPolarHBondContact O-CB 3.3Å; I10-F14 PolarHBondContact O-N 3.42Å; F14-T67 HydrophobicContact CB-CG2 4Å; F14-T67 WeakPolarHBondContact O-CB 3.25Å; F14-T67 WeakPolarHBondContact O-CG2 3.41Å; F14-T67 PolarHBondContact O-N 3.05Å; F14-I87 HydrophobicContact CB-CD1 3.93Å; F14-I87 HydrophobicContact CD1-CD1 3.85Å; F14-I87 HydrophobicContact CD2-CD1 3.74Å; F14-I87 HydrophobicContact CE1-CD1 4.27Å; F14-I87 HydrophobicContact CE2-CD1 4.17Å; F14-I87 HydrophobicContact CG-CD1 3.55Å; F14-I87 HydrophobicContact CZ-CD1 4.41Å; F14-L89 HydrophobicContact CD1-CB 3.88Å; F14-T93 HydrophobicContact CD1-CG2 4.13Å; F14-T93 HydrophobicContact CE1-CG2 3.96Å; F14-H97 HydrophobicContact CZ-CB 4.13Å; F14-I98 HydrophobicContact CE1-CG1 4.45Å; F14-L101 HydrophobicContact CE2-CB 4.22Å; F14-L101 HydrophobicContact CE2-CD1 4.16Å; F14-L101 HydrophobicContact CE2-CD2 4.4Å; F14-L101 HydrophobicContact CZ-CB 3.93Å; F14-L101 HydrophobicContact CZ-CD2 3.99Å; F14-L101 HydrophobicContact CZ-CG 4.37Å | ||
| 15 | Q | 93.8 | Very high | 83.8 | Confident | 91 Ų | 91 | 42.2 Ų | 42.2 | 43% | 0.425 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 166.1 | -176.2 | -64.2 | 172.5 | -8.4 | 0 | 0 | 109.6 | V64 V65 L89 N90 | Q15-V64 HydrophobicContact CB-CG1 3.63Å; Q15-V64 HydrophobicContact CG-CG1 4.22Å; Q15-V65 CarbonylContact C-O 3.49Å; Q15-V65 VanDerWaalsContact CA-O 3.27Å; Q15-V65 WeakPolarHBondContact CA-O 3.12Å; Q15-V65 WeakPolarHBondContact CB-O 3.49Å; Q15-L89 CarbonylContact O-C 3.4Å; Q15-L89 VanDerWaalsContact O-CA 3.27Å; Q15-L89 WeakPolarHBondContact O-CA 3.39Å; Q15-N90 WeakPolarHBondContact O-CB 3.17Å; Q15-N90 PolarHBondContact O-N 2.98Å |
| 16 | R | 91 | Very high | 82.2 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 163.7 | 178 | 71 | -169.7 | -174.3 | 88.9 | 4.6 | 109.7 | E18 V64 V65 P66 N68 R88 | R16-E18 IonicContact CZ-OE1 2.77Å; R16-E18 IonicContact CZ-OE2 2.67Å; R16-E18 VanDerWaalsContact NH1-CG 3.31Å; R16-E18 IonicContact NH1-OE1 2.84Å; R16-E18 PolarHBondContact NH1-OE1 2.94Å; R16-E18 IonicContact NH1-OE2 3.16Å; R16-E18 IonicContact NH2-OE1 3.69Å; R16-E18 PolarHBondContact NH2-OE1 3.49Å; R16-E18 IonicContact NH2-OE2 3.29Å; R16-E18 PolarHBondContact NH2-OE2 3.42Å; R16-V64 WeakPolarHBondContact O-CA 3.08Å; R16-V65 HydrophobicContact CG-CB 4.15Å; R16-V65 PolarHBondContact N-O 3.21Å; R16-V65 PolarHBondContact O-N 2.7Å; R16-P66 VanDerWaalsContact CD-O 3.29Å; R16-P66 WeakPolarHBondContact CD-O 3.34Å; R16-P66 WeakPolarHBondContact CG-O 3.4Å; R16-P66 PolarHBondContact NE-O 3.32Å; R16-N68 VanDerWaalsContact CD-OD1 3.27Å; R16-N68 WeakPolarHBondContact CD-OD1 3.33Å; R16-R88 HydrophobicContact CB-CG 4.28Å |
| 17 | R | 89.5 | Confident | 80.1 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.7 | 176.5 | -77.5 | -178.3 | 174.9 | -70.1 | -2.9 | 112 | T62 A63 V64 N90 N91 D92 D228 | R17-T62 WeakPolarHBondContact CD-OG1 3.36Å; R17-T62 PolarHBondContact NH1-OG1 3.14Å; R17-A63 WeakPolarHBondContact CA-O 3.01Å; R17-V64 HydrophobicContact CG-CG2 4.37Å; R17-N90 VanDerWaalsContact CD-OD1 3.29Å; R17-N90 WeakPolarHBondContact CD-OD1 3.36Å; R17-N90 WeakPolarHBondContact CG-OD1 3.47Å; R17-N90 PolarHBondContact NE-OD1 3.2Å; R17-N91 WeakPolarHBondContact CD-OD1 3.37Å; R17-N91 PolarHBondContact NE-OD1 2.91Å; R17-D92 IonicContact CZ-OD2 2.73Å; R17-D92 IonicContact NE-OD2 2.7Å; R17-D92 IonicContact NH2-OD2 3.94Å; R17-D92 PolarHBondContact NH2-OD2 3.44Å; R17-D228 PolarHBondContact N-OD2 2.89Å; R17-D228 VanDerWaalsContact O-OD2 3.1Å |
| 18 | E | 84.2 | Confident | 78 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.4 | 168.8 | -64.7 | -161.4 | 130.2 | 0 | 0 | 110.6 | R16 A20 L46 T62 A63 V65 | R16-E18 IonicContact CZ-OE1 2.77Å; R16-E18 IonicContact CZ-OE2 2.67Å; R16-E18 VanDerWaalsContact NH1-CG 3.31Å; R16-E18 IonicContact NH1-OE1 2.84Å; R16-E18 PolarHBondContact NH1-OE1 2.94Å; R16-E18 IonicContact NH1-OE2 3.16Å; R16-E18 IonicContact NH2-OE1 3.69Å; R16-E18 PolarHBondContact NH2-OE1 3.49Å; R16-E18 IonicContact NH2-OE2 3.29Å; R16-E18 PolarHBondContact NH2-OE2 3.42Å; E18-A20 PolarHBondContact O-N 3.48Å; E18-L46 HydrophobicContact CB-CD1 4.43Å; E18-T62 CarbonylContact O-C 3.59Å; E18-T62 WeakPolarHBondContact O-CA 3.26Å; E18-T62 VanDerWaalsContact O-CB 3.28Å; E18-T62 WeakPolarHBondContact O-CB 3.4Å; E18-A63 PolarHBondContact N-O 3.3Å; E18-A63 PolarHBondContact O-N 3.19Å; E18-V65 HydrophobicContact CG-CG2 4.41Å |
| 19 | C | 84 | Confident | 76.2 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 109.5 | 174.2 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | C39 H45 W56 | C19-C39 HydrophobicContact CB-CB 3.73Å; C19-C39 VanDerWaalsContact CB-SG 3.59Å; C19-C39 VanDerWaalsContact SG-CB 3.55Å; C19-C39 PolarHBondContact SG-SG 3.43Å; C19-H45 PolarHBondContact O-CD2 3.16Å; C19-H45 PolarHBondContact SG-CD2 2.98Å; C19-H45 PolarHBondContact SG-NE2 2.72Å; C19-H45 VanDerWaalsContact SG-NE2 3.36Å; C19-W56 PolarHBondContact SG-NE1 2.82Å; C19-W56 VanDerWaalsContact SG-NE1 3.41Å |
| 20 | A | 79 | Confident | 73.8 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | trans | -93.8 | -28 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E18 L46 K47 C61 A63 | E18-A20 PolarHBondContact O-N 3.48Å; A20-L46 HydrophobicContact CB-CB 4.24Å; A20-L46 PolarHBondContact O-N 2.79Å; A20-K47 WeakPolarHBondContact O-CA 3.29Å; A20-K47 WeakPolarHBondContact O-CB 3.27Å; A20-K47 PolarHBondContact O-N 2.74Å; A20-C61 PolarHBondContact N-O 2.98Å; A20-A63 HydrophobicContact CB-CB 3.86Å | ||
| 21 | Q | 74 | Confident | 71.5 | Confident | 36 Ų | 36 | 72.3 Ų | 72.3 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 127.1 | -171.3 | -161.5 | 175.4 | 32.7 | 0 | 0 | 110.5 | G23 S50 L53 C61 | Q21-G23 PolarHBondContact O-N 2.72Å; Q21-S50 VanDerWaalsContact NE2-CB 3.28Å; Q21-S50 PolarHBondContact NE2-OG 2.88Å; Q21-L53 HydrophobicContact CG-CD2 4.38Å; Q21-C61 PolarHBondContact N-O 3.38Å; Q21-C61 VanDerWaalsContact N-O 3.13Å |
| 22 | F | 71.1 | Confident | 69.5 | Low | 40 Ų | 40 | 75 Ų | 75 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | trans | -72 | 119.2 | -179.8 | -174.3 | -82.7 | 0 | 0 | 0 | 110.9 | F35 C37 H45 P49 | F22-F35 WeakPolarHBondContact CE2-O 3.4Å; F22-C37 HydrophobicContact CD2-CB 3.63Å; F22-C37 HydrophobicContact CE2-CB 3.69Å; F22-C37 HydrophobicContact CG-CB 4.29Å; F22-C37 HydrophobicContact CZ-CB 4.38Å; F22-H45 AromaticContact CD2-CE1 3.82Å; F22-P49 HydrophobicContact CB-CB 4.22Å | ||
| 23 | G | 68.6 | Low | 67.6 | Low | 7 Ų | 7 | 76.6 Ų | 76.6 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | trans | -108.3 | 115.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q21 C37 C38 | Q21-G23 PolarHBondContact O-N 2.72Å; G23-C37 PolarHBondContact N-SG 2.95Å; G23-C37 CarbonylContact O-C 3.5Å; G23-C37 WeakPolarHBondContact O-CA 3.13Å; G23-C38 PolarHBondContact O-N 2.94Å; G23-C38 PolarHBondContact O-SG 2.66Å | ||
| 24 | S | 63.2 | Low | 65.8 | Low | 72 Ų | 72 | 76.9 Ų | 76.9 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -68.8 | 136.2 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | K26 | S24-K26 PolarHBondContact O-N 2.91Å |
| 25 | L | 57.9 | Low | 64.3 | Low | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | trans | -77.2 | 116.1 | 170.5 | -157.2 | 78.6 | 0 | 0 | 0 | 108.9 | D27 | L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 2.99Å; L25-D27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | K | 52.9 | Low | 63.1 | Low | 160 Ų | 160 | 80.5 Ų | 80.5 | 70% | 0.696 | 41% | 0.409 | S | S | * | . | trans | -85 | 71.8 | 174.5 | -80.2 | -166.3 | 170.3 | -168.7 | 0 | 111.3 | S24 Y28 | S24-K26 PolarHBondContact O-N 2.91Å; K26-Y28 HydrophobicContact CB-CD2 4.43Å; K26-Y28 HydrophobicContact CB-CE2 4.19Å; K26-Y28 HydrophobicContact CD-CE2 4.32Å; K26-Y28 WeakPolarHBondContact O-CD2 3.44Å; K26-Y28 PolarHBondContact O-N 3.16Å; K26-Y28 VanDerWaalsContact O-N 3.16Å | ||
| 27 | D | 46.2 | Very low | 62.4 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | trans | -73.7 | 102.7 | 165.6 | -78.1 | -15.8 | 0 | 0 | 0 | 109.5 | L25 A29 | L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 2.99Å; L25-D27 VanDerWaalsContact O-N 3.14Å; D27-A29 PolarHBondContact O-N 2.99Å | ||
| 28 | Y | 44.6 | Very low | 61.8 | Low | 208 Ų | 208 | 80 Ų | 80 | 82% | 0.816 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 0.3 | 178.9 | -87 | -97.4 | 0 | 0 | 0 | 114.3 | K26 | K26-Y28 HydrophobicContact CB-CD2 4.43Å; K26-Y28 HydrophobicContact CB-CE2 4.19Å; K26-Y28 HydrophobicContact CD-CE2 4.32Å; K26-Y28 WeakPolarHBondContact O-CD2 3.44Å; K26-Y28 PolarHBondContact O-N 3.16Å; K26-Y28 VanDerWaalsContact O-N 3.16Å |
| 29 | A | 49.2 | Very low | 61.5 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 69% | 0.694 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -22.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D27 | D27-A29 PolarHBondContact O-N 2.99Š|
| 30 | N | 41.9 | Very low | 61.1 | Low | 124 Ų | 124 | 79.7 Ų | 79.7 | 66% | 0.663 | 42% | 0.42 | S | S | * | . | trans | -144.9 | 135.4 | -177.2 | -83.1 | -63.3 | 0 | 0 | 0 | 112.3 | I32 | N30-I32 PolarHBondContact O-N 3.46Š| ||
| 31 | Y | 44.1 | Very low | 61 | Low | 248 Ų | 248 | 82 Ų | 82 | 97% | 0.973 | 43% | 0.427 | S | S | * | . | trans | -81 | 43.6 | -174.3 | -121.9 | -92.4 | 0 | 0 | 0 | 113.5 | ||||
| 32 | I | 47.2 | Very low | 60.6 | Low | 128 Ų | 128 | 85.8 Ų | 85.8 | 66% | 0.656 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -113.9 | 127.4 | -176.8 | -57.9 | 174.4 | 0 | 0 | 0 | 109 | N30 C34 | N30-I32 PolarHBondContact O-N 3.46Å; I32-C34 PolarHBondContact O-N 3.02Å |
| 33 | P | 50.7 | Low | 60 | Low | 96 Ų | 96 | 90.7 Ų | 90.7 | 62% | 0.623 | 47% | 0.471 | S | S | * | . | trans | -67 | 107.6 | 176.6 | 27.5 | -33.4 | 0 | 0 | 0 | 110.2 | F35 | P33-F35 WeakPolarHBondContact O-CD2 3.49Å; P33-F35 PolarHBondContact O-N 2.71Å; P33-F35 VanDerWaalsContact O-N 3.14Å | ||
| 34 | C | 54.9 | Low | 59.5 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | trans | -70.7 | 108.8 | -178 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | I32 S36 | I32-C34 PolarHBondContact O-N 3.02Å; C34-S36 VanDerWaalsContact C-N 3.28Å; C34-S36 PolarHBondContact O-N 3.45Å; C34-S36 PolarHBondContact SG-OG 2.97Å | ||
| 35 | F | 63.3 | Low | 59.8 | Low | 127 Ų | 127 | 94 Ų | 94 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | trans | -69.5 | -22.2 | -178.4 | -69.9 | -83.5 | 0 | 0 | 0 | 113.5 | F22 P33 L42 | F22-F35 WeakPolarHBondContact CE2-O 3.4Å; P33-F35 WeakPolarHBondContact O-CD2 3.49Å; P33-F35 PolarHBondContact O-N 2.71Å; P33-F35 VanDerWaalsContact O-N 3.14Å; F35-L42 HydrophobicContact CB-CD2 3.84Å | ||
| 36 | S | 67.6 | Low | 60 | Low | 41 Ų | 41 | 95.7 Ų | 95.7 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -76.2 | 127.9 | 174.8 | 53.3 | 0 | 0 | 0 | 0 | 112 | C34 | C34-S36 VanDerWaalsContact C-N 3.28Å; C34-S36 PolarHBondContact O-N 3.45Å; C34-S36 PolarHBondContact SG-OG 2.97Å |
| 37 | C | 76.7 | Confident | 60.4 | Low | 4 Ų | 4 | 94.5 Ų | 94.5 | 3% | 0.027 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 157.1 | 165.8 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | F22 G23 C39 G40 R41 H45 | F22-C37 HydrophobicContact CD2-CB 3.63Å; F22-C37 HydrophobicContact CE2-CB 3.69Å; F22-C37 HydrophobicContact CG-CB 4.29Å; F22-C37 HydrophobicContact CZ-CB 4.38Å; G23-C37 PolarHBondContact N-SG 2.95Å; G23-C37 CarbonylContact O-C 3.5Å; G23-C37 WeakPolarHBondContact O-CA 3.13Å; C37-C39 PolarHBondContact O-N 2.68Å; C37-G40 PolarHBondContact O-N 3.27Å; C37-R41 WeakPolarHBondContact CB-O 3.08Å; C37-R41 PolarHBondContact N-O 3.1Å; C37-H45 WeakPolarHBondContact CB-NE2 3.46Å; C37-H45 PolarHBondContact SG-NE2 3.21Å |
| 38 | C | 76.9 | Confident | 61 | Low | 21 Ų | 21 | 94.1 Ų | 94.1 | 14% | 0.142 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -19.2 | 169.8 | -68.6 | 0 | 0 | 0 | 0 | 114.8 | G23 W56 K234 | G23-C38 PolarHBondContact O-N 2.94Å; G23-C38 PolarHBondContact O-SG 2.66Å; C38-W56 HydrophobicContact CB-CB 3.59Å; C38-W56 HydrophobicContact CB-CD2 3.89Å; C38-W56 HydrophobicContact CB-CE3 4.42Å; C38-W56 HydrophobicContact CB-CG 3.5Å; C38-K234 PolarHBondContact O-NZ 3.45Å |
| 39 | C | 76.8 | Confident | 61.7 | Low | 0 Ų | 0 | 88.7 Ų | 88.7 | 0% | 0 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.7 | 173.8 | 73.2 | 0 | 0 | 0 | 0 | 114.8 | C19 C37 R41 H45 W56 T231 V232 | C19-C39 HydrophobicContact CB-CB 3.73Å; C19-C39 VanDerWaalsContact CB-SG 3.59Å; C19-C39 VanDerWaalsContact SG-CB 3.55Å; C19-C39 PolarHBondContact SG-SG 3.43Å; C37-C39 PolarHBondContact O-N 2.68Å; C39-R41 PolarHBondContact SG-N 2.94Å; C39-H45 PolarHBondContact SG-NE2 3.06Å; C39-W56 HydrophobicContact CB-CH2 4.46Å; C39-W56 HydrophobicContact CB-CZ2 3.75Å; C39-T231 CarbonylContact O-C 3.57Å; C39-T231 WeakPolarHBondContact O-CA 3.28Å; C39-V232 PolarHBondContact O-N 3.22Å |
| 40 | G | 76.4 | Confident | 62.2 | Low | 41 Ų | 41 | 87 Ų | 87 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | S | Bend | trans | 89.3 | -5.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C37 | C37-G40 PolarHBondContact O-N 3.27Š|
| 41 | R | 75.9 | Confident | 62.9 | Low | 55 Ų | 55 | 87.6 Ų | 87.6 | 21% | 0.208 | 48% | 0.476 | C | S | . | . | trans | -90.6 | 140.7 | 178.1 | -59 | -175.8 | -172.5 | -177.1 | 2.7 | 112.2 | C37 C39 V232 | C37-R41 WeakPolarHBondContact CB-O 3.08Å; C37-R41 PolarHBondContact N-O 3.1Å; C39-R41 PolarHBondContact SG-N 2.94Å; R41-V232 HydrophobicContact CG-CG2 3.81Å | ||
| 42 | L | 65.9 | Low | 63.6 | Low | 117 Ų | 117 | 83.6 Ų | 83.6 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -82.2 | -23.1 | -172 | -87.8 | 161.5 | 0 | 0 | 0 | 116.2 | F35 | F35-L42 HydrophobicContact CB-CD2 3.84Š|
| 43 | Q | 59.1 | Low | 64.3 | Low | 142 Ų | 142 | 80 Ų | 80 | 66% | 0.664 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -168.4 | -16.9 | 165.3 | -115.1 | 158.4 | 32.1 | 0 | 0 | 116.3 | H45 | Q43-H45 PolarHBondContact O-N 2.7Å; Q43-H45 PolarHBondContact O-ND1 2.84Å; Q43-H45 VanDerWaalsContact O-ND1 3.14Å |
| 44 | T | 58.4 | Low | 64.7 | Low | 111 Ų | 111 | 85.3 Ų | 85.3 | 68% | 0.681 | 47% | 0.466 | S | S | * | . | trans | -70.3 | 94.2 | -175.9 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 45 | H | 69.8 | Low | 65.3 | Low | 37 Ų | 37 | 88 Ų | 88 | 17% | 0.171 | 48% | 0.481 | C | S | . | . | trans | -134.2 | 145.9 | -178.2 | -67.6 | 73.5 | 0 | 0 | 0 | 111.5 | C19 F22 C37 C39 Q43 K47 | C19-H45 PolarHBondContact O-CD2 3.16Å; C19-H45 PolarHBondContact SG-CD2 2.98Å; C19-H45 PolarHBondContact SG-NE2 2.72Å; C19-H45 VanDerWaalsContact SG-NE2 3.36Å; F22-H45 AromaticContact CD2-CE1 3.82Å; C37-H45 WeakPolarHBondContact CB-NE2 3.46Å; C37-H45 PolarHBondContact SG-NE2 3.21Å; C39-H45 PolarHBondContact SG-NE2 3.06Å; Q43-H45 PolarHBondContact O-N 2.7Å; Q43-H45 PolarHBondContact O-ND1 2.84Å; Q43-H45 VanDerWaalsContact O-ND1 3.14Å; H45-K47 PolarHBondContact O-N 3.04Å | ||
| 46 | L | 62 | Low | 66 | Low | 112 Ų | 112 | 84.2 Ų | 84.2 | 59% | 0.586 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -73.2 | -18.7 | -176 | -76.5 | 159.1 | 0 | 0 | 0 | 115 | E18 A20 A63 | E18-L46 HydrophobicContact CB-CD1 4.43Å; A20-L46 HydrophobicContact CB-CB 4.24Å; A20-L46 PolarHBondContact O-N 2.79Å; L46-A63 HydrophobicContact CD1-CB 4.41Å |
| 47 | K | 61.7 | Low | 66.7 | Low | 134 Ų | 134 | 84.9 Ų | 84.9 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | B | Isolated β-bridge | trans | -134.6 | 145.4 | -178.6 | -60.4 | -177.2 | 179 | -179.8 | 0 | 110.5 | A20 H45 | A20-K47 WeakPolarHBondContact O-CA 3.29Å; A20-K47 WeakPolarHBondContact O-CB 3.27Å; A20-K47 PolarHBondContact O-N 2.74Å; H45-K47 PolarHBondContact O-N 3.04Å |
| 48 | P | 59 | Low | 66.9 | Low | 102 Ų | 102 | 86.1 Ų | 86.1 | 66% | 0.662 | 47% | 0.473 | S | S | * | . | trans | -62.4 | 153.2 | 177.3 | 26.3 | -34.7 | 0 | 0 | 0 | 112.2 | S50 | P48-S50 PolarHBondContact O-N 2.95Å; P48-S50 PolarHBondContact O-OG 3.37Å | ||
| 49 | P | 58.7 | Low | 67.2 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 61% | 0.61 | 49% | 0.494 | S | S | * | . | trans | -56.4 | 129.6 | 177.6 | 23.3 | -33.6 | 0 | 0 | 0 | 110.8 | F22 | F22-P49 HydrophobicContact CB-CB 4.22Š| ||
| 50 | S | 58.7 | Low | 67.3 | Low | 48 Ų | 48 | 98.8 Ų | 98.8 | 34% | 0.336 | 53% | 0.527 | S | S | . | . | trans | -108.5 | 119.7 | -176.9 | -48.7 | 0 | 0 | 0 | 0 | 110.3 | Q21 P48 L52 L53 | Q21-S50 VanDerWaalsContact NE2-CB 3.28Å; Q21-S50 PolarHBondContact NE2-OG 2.88Å; P48-S50 PolarHBondContact O-N 2.95Å; P48-S50 PolarHBondContact O-OG 3.37Å; S50-L52 PolarHBondContact O-N 2.98Å; S50-L52 VanDerWaalsContact O-N 3.07Å; S50-L53 PolarHBondContact O-N 3.4Å | ||
| 51 | P | 58 | Low | 67.6 | Low | 137 Ų | 137 | 96.9 Ų | 96.9 | 89% | 0.89 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.8 | -170.5 | 26.8 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 52 | L | 58.8 | Low | 68.1 | Low | 164 Ų | 164 | 94.8 Ų | 94.8 | 86% | 0.859 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -13.5 | 177.5 | -64.9 | 173.1 | 0 | 0 | 0 | 113.8 | S50 K54 | S50-L52 PolarHBondContact O-N 2.98Å; S50-L52 VanDerWaalsContact O-N 3.07Å; L52-K54 PolarHBondContact O-N 3.46Å; L52-K54 VanDerWaalsContact O-N 3.13Å |
| 53 | L | 60.3 | Low | 69.2 | Low | 52 Ų | 52 | 90.8 Ų | 90.8 | 27% | 0.272 | 49% | 0.485 | S | S | . | . | trans | -80.3 | 95.4 | -173.8 | -170.4 | 80 | 0 | 0 | 0 | 111.7 | Q21 S50 | Q21-L53 HydrophobicContact CG-CD2 4.38Å; S50-L53 PolarHBondContact O-N 3.4Å | ||
| 54 | K | 60.4 | Low | 70.6 | Confident | 208 Ų | 208 | 87.1 Ų | 87.1 | 90% | 0.904 | 47% | 0.472 | S | S | * | . | trans | -72.9 | -29.6 | -179.8 | -73.3 | -175 | 176.8 | 178.9 | 0 | 115 | L52 | L52-K54 PolarHBondContact O-N 3.46Å; L52-K54 VanDerWaalsContact O-N 3.13Å | ||
| 55 | T | 68.1 | Low | 72.1 | Confident | 102 Ų | 102 | 83.6 Ų | 83.6 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -145 | 128.4 | -175.2 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 56 | W | 77.6 | Confident | 73.1 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | trans | -75.1 | 130.4 | 175.6 | -170.6 | 97.1 | 0 | 0 | 0 | 110.7 | C19 C38 C39 V58 C61 T62 T231 | C19-W56 PolarHBondContact SG-NE1 2.82Å; C19-W56 VanDerWaalsContact SG-NE1 3.41Å; C38-W56 HydrophobicContact CB-CB 3.59Å; C38-W56 HydrophobicContact CB-CD2 3.89Å; C38-W56 HydrophobicContact CB-CE3 4.42Å; C38-W56 HydrophobicContact CB-CG 3.5Å; C39-W56 HydrophobicContact CB-CH2 4.46Å; C39-W56 HydrophobicContact CB-CZ2 3.75Å; W56-V58 HydrophobicContact CH2-CG2 3.94Å; W56-V58 HydrophobicContact CZ3-CG2 3.86Å; W56-C61 VanDerWaalsContact CD1-CB 3.48Å; W56-C61 HydrophobicContact CD2-CB 4.19Å; W56-C61 HydrophobicContact CG-CB 4.01Å; W56-C61 HydrophobicContact CZ2-CB 4.44Å; W56-C61 VanDerWaalsContact NE1-CB 3.33Å; W56-T62 HydrophobicContact CH2-CG2 4.22Å; W56-T62 HydrophobicContact CZ2-CG2 3.86Å; W56-T231 HydrophobicContact CH2-CG2 3.59Å; W56-T231 HydrophobicContact CZ2-CG2 4.48Å; W56-T231 HydrophobicContact CZ3-CG2 4.07Å | ||
| 57 | T | 81 | Confident | 74.6 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | trans | -141.6 | 143.7 | 175.3 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | K59 H60 C61 | T57-K59 VanDerWaalsContact C-N 3.29Å; T57-K59 PolarHBondContact O-N 3.28Å; T57-H60 PolarHBondContact O-N 3.29Å; T57-H60 PolarHBondContact OG1-ND1 3.41Å; T57-C61 PolarHBondContact N-SG 3.24Å; T57-C61 VanDerWaalsContact N-SG 3.37Å; T57-C61 WeakPolarHBondContact O-CB 3.27Å; T57-C61 PolarHBondContact O-N 3.38Å; T57-C61 PolarHBondContact O-SG 3.38Å | ||
| 58 | V | 81.7 | Confident | 76 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -51 | -47.7 | -177.5 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | W56 H60 T62 D229 | W56-V58 HydrophobicContact CH2-CG2 3.94Å; W56-V58 HydrophobicContact CZ3-CG2 3.86Å; V58-H60 PolarHBondContact O-N 2.93Å; V58-T62 WeakPolarHBondContact O-CB 3.48Å; V58-T62 PolarHBondContact O-N 3.46Å; V58-T62 PolarHBondContact O-OG1 3.44Å; V58-D229 HydrophobicContact CG1-CB 4.24Å; V58-D229 HydrophobicContact CG2-CB 4.23Å |
| 59 | K | 82.1 | Confident | 77.7 | Confident | 135 Ų | 135 | 71.7 Ų | 71.7 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.9 | -27.7 | -174.5 | -64.1 | -166.1 | 176.8 | -162.6 | 0 | 114.8 | T57 D92 | T57-K59 VanDerWaalsContact C-N 3.29Å; T57-K59 PolarHBondContact O-N 3.28Å; K59-D92 WeakPolarHBondContact CE-OD1 3.37Å; K59-D92 WeakPolarHBondContact CE-OD2 3.37Å; K59-D92 IonicContact NZ-OD1 2.73Å; K59-D92 PolarHBondContact NZ-OD1 3.38Å; K59-D92 IonicContact NZ-OD2 3.95Å |
| 60 | H | 80.6 | Confident | 79.4 | Confident | 152 Ų | 152 | 67.4 Ų | 67.4 | 70% | 0.704 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -102.9 | -31.8 | -177.4 | -59.3 | 98.4 | 0 | 0 | 0 | 113.5 | T57 V58 | T57-H60 PolarHBondContact O-N 3.29Å; T57-H60 PolarHBondContact OG1-ND1 3.41Å; V58-H60 PolarHBondContact O-N 2.93Å |
| 61 | C | 81.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -99.5 | -6.6 | -170.3 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | A20 Q21 W56 T57 | A20-C61 PolarHBondContact N-O 2.98Å; Q21-C61 PolarHBondContact N-O 3.38Å; Q21-C61 VanDerWaalsContact N-O 3.13Å; W56-C61 VanDerWaalsContact CD1-CB 3.48Å; W56-C61 HydrophobicContact CD2-CB 4.19Å; W56-C61 HydrophobicContact CG-CB 4.01Å; W56-C61 HydrophobicContact CZ2-CB 4.44Å; W56-C61 VanDerWaalsContact NE1-CB 3.33Å; T57-C61 PolarHBondContact N-SG 3.24Å; T57-C61 VanDerWaalsContact N-SG 3.37Å; T57-C61 WeakPolarHBondContact O-CB 3.27Å; T57-C61 PolarHBondContact O-N 3.38Å; T57-C61 PolarHBondContact O-SG 3.38Å |
| 62 | T | 86.9 | Confident | 82.7 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.7 | 174.9 | 73.9 | 0 | 0 | 0 | 0 | 111.3 | R17 E18 W56 V58 | R17-T62 WeakPolarHBondContact CD-OG1 3.36Å; R17-T62 PolarHBondContact NH1-OG1 3.14Å; E18-T62 CarbonylContact O-C 3.59Å; E18-T62 WeakPolarHBondContact O-CA 3.26Å; E18-T62 VanDerWaalsContact O-CB 3.28Å; E18-T62 WeakPolarHBondContact O-CB 3.4Å; W56-T62 HydrophobicContact CH2-CG2 4.22Å; W56-T62 HydrophobicContact CZ2-CG2 3.86Å; V58-T62 WeakPolarHBondContact O-CB 3.48Å; V58-T62 PolarHBondContact O-N 3.46Å; V58-T62 PolarHBondContact O-OG1 3.44Å |
| 63 | A | 88.2 | Confident | 84.2 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 151.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | R17 E18 A20 L46 | R17-A63 WeakPolarHBondContact CA-O 3.01Å; E18-A63 PolarHBondContact N-O 3.3Å; E18-A63 PolarHBondContact O-N 3.19Å; A20-A63 HydrophobicContact CB-CB 3.86Å; L46-A63 HydrophobicContact CD1-CB 4.41Å |
| 64 | V | 89.4 | Confident | 85.6 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.1 | 175.2 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | Q15 R16 R17 | Q15-V64 HydrophobicContact CB-CG1 3.63Å; Q15-V64 HydrophobicContact CG-CG1 4.22Å; R16-V64 WeakPolarHBondContact O-CA 3.08Å; R17-V64 HydrophobicContact CG-CG2 4.37Å |
| 65 | V | 89.8 | Confident | 86.7 | Confident | 37 Ų | 37 | 41.2 Ų | 41.2 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.3 | -169.7 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | Q15 R16 E18 | Q15-V65 CarbonylContact C-O 3.49Å; Q15-V65 VanDerWaalsContact CA-O 3.27Å; Q15-V65 WeakPolarHBondContact CA-O 3.12Å; Q15-V65 WeakPolarHBondContact CB-O 3.49Å; R16-V65 HydrophobicContact CG-CB 4.15Å; R16-V65 PolarHBondContact N-O 3.21Å; R16-V65 PolarHBondContact O-N 2.7Å; E18-V65 HydrophobicContact CG-CG2 4.41Å |
| 66 | P | 91.5 | Very high | 87 | Confident | 85 Ų | 85 | 39.6 Ų | 39.6 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 148.8 | 171.1 | -27.8 | 36.5 | 0 | 0 | 0 | 112.9 | R16 | R16-P66 VanDerWaalsContact CD-O 3.29Å; R16-P66 WeakPolarHBondContact CD-O 3.34Å; R16-P66 WeakPolarHBondContact CG-O 3.4Å; R16-P66 PolarHBondContact NE-O 3.32Å |
| 67 | T | 92.7 | Very high | 86.5 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -66.1 | 146.3 | 178.1 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | I10 F14 Y70 R88 | I10-T67 HydrophobicContact CG2-CG2 3.92Å; F14-T67 HydrophobicContact CB-CG2 4Å; F14-T67 WeakPolarHBondContact O-CB 3.25Å; F14-T67 WeakPolarHBondContact O-CG2 3.41Å; F14-T67 PolarHBondContact O-N 3.05Å; T67-Y70 HydrophobicContact CG2-CD1 4.26Å; T67-R88 WeakPolarHBondContact CB-O 3.2Å; T67-R88 PolarHBondContact OG1-O 3.07Å | ||
| 68 | N | 91.9 | Very high | 85.8 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | trans | -131 | 14.3 | -175.7 | 76.8 | -30.8 | 0 | 0 | 0 | 113.3 | R16 R88 G197 | R16-N68 VanDerWaalsContact CD-OD1 3.27Å; R16-N68 WeakPolarHBondContact CD-OD1 3.33Å; N68-R88 PolarHBondContact OD1-NH1 3.23Å; N68-G197 PolarHBondContact O-N 2.84Å | ||
| 69 | A | 93.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 94.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y86 R88 W186 L195 G197 | A69-Y86 HydrophobicContact CB-CE2 4.3Å; A69-R88 HydrophobicContact CB-CB 3.79Å; A69-R88 WeakPolarHBondContact O-CB 3.38Å; A69-R88 PolarHBondContact O-N 3.22Å; A69-W186 HydrophobicContact CB-CH2 4.05Å; A69-W186 HydrophobicContact CB-CZ3 4.14Å; A69-L195 VanDerWaalsContact CB-O 3.26Å; A69-L195 WeakPolarHBondContact CB-O 3.42Å; A69-G197 VanDerWaalsContact CA-O 3.31Å; A69-G197 WeakPolarHBondContact CA-O 3.39Å |
| 70 | Y | 94.9 | Very high | 83.9 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 150.2 | 174.1 | 71.6 | -92.4 | 0 | 0 | 0 | 111.6 | L2 C7 I10 E11 T67 Y86 G197 Q198 N199 A200 | L2-Y70 HydrophobicContact CD1-CD2 3.81Å; L2-Y70 HydrophobicContact CD1-CE2 3.94Å; C7-Y70 HydrophobicContact CB-CE2 4.44Å; C7-Y70 WeakPolarHBondContact CB-OH 3.43Å; I10-Y70 HydrophobicContact CD1-CD2 3.84Å; I10-Y70 HydrophobicContact CD1-CE2 4.16Å; I10-Y70 HydrophobicContact CD1-CG 4.42Å; I10-Y70 HydrophobicContact CG2-CD1 3.69Å; I10-Y70 HydrophobicContact CG2-CD2 4.09Å; I10-Y70 HydrophobicContact CG2-CE1 3.93Å; I10-Y70 HydrophobicContact CG2-CE2 4.33Å; I10-Y70 HydrophobicContact CG2-CG 3.77Å; E11-Y70 HydrophobicContact CG-CE1 3.83Å; E11-Y70 VanDerWaalsContact OE1-CE1 3.27Å; E11-Y70 WeakPolarHBondContact OE1-CE1 3.46Å; E11-Y70 VanDerWaalsContact OE1-CZ 3.32Å; E11-Y70 PolarHBondContact OE1-OH 3.12Å; T67-Y70 HydrophobicContact CG2-CD1 4.26Å; Y70-Y86 WeakPolarHBondContact CA-O 3.19Å; Y70-G197 PolarHBondContact N-O 3Å; Y70-Q198 HydrophobicContact CE1-CB 3.8Å; Y70-Q198 HydrophobicContact CE1-CG 3.86Å; Y70-N199 HydrophobicContact CE2-CB 3.93Å; Y70-N199 WeakPolarHBondContact O-CA 3.44Å; Y70-N199 PolarHBondContact O-N 3.08Å; Y70-A200 PolarHBondContact O-N 3.23Å; Y70-A200 VanDerWaalsContact O-N 3.08Å |
| 71 | G | 93.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.9 | -136.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y86 A200 | G71-Y86 VanDerWaalsContact C-CE1 3.46Å; G71-Y86 PolarHBondContact N-O 3.13Å; G71-Y86 WeakPolarHBondContact O-CD1 3.43Å; G71-Y86 PolarHBondContact O-N 2.94Å; G71-A200 WeakPolarHBondContact CA-O 3.37Å |
| 72 | T | 92.5 | Very high | 82.7 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.5 | -177 | 53.6 | 0 | 0 | 0 | 0 | 113 | A84 A200 Q201 V202 | T72-A84 CarbonylContact C-O 3.53Å; T72-A84 WeakPolarHBondContact CA-O 3.42Å; T72-A200 PolarHBondContact N-O 3.37Å; T72-Q201 WeakPolarHBondContact O-CA 3.41Å; T72-Q201 PolarHBondContact OG1-NE2 3.32Å; T72-V202 PolarHBondContact O-N 3.35Å |
| 73 | I | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.3 | 175.5 | -53.5 | 174.9 | 0 | 0 | 0 | 109.5 | F75 K83 A84 Y86 L195 V202 L204 L217 F224 | I73-F75 HydrophobicContact CB-CE2 4.37Å; I73-F75 HydrophobicContact CG2-CD1 4.18Å; I73-F75 HydrophobicContact CG2-CD2 4.12Å; I73-F75 HydrophobicContact CG2-CE1 3.93Å; I73-F75 HydrophobicContact CG2-CE2 3.85Å; I73-F75 HydrophobicContact CG2-CG 4.28Å; I73-F75 HydrophobicContact CG2-CZ 3.75Å; I73-K83 CarbonylContact O-C 3.26Å; I73-K83 VanDerWaalsContact O-CA 3.29Å; I73-K83 WeakPolarHBondContact O-CA 3.43Å; I73-A84 HydrophobicContact CB-CB 4.37Å; I73-A84 PolarHBondContact N-O 3.49Å; I73-A84 PolarHBondContact O-N 3.05Å; I73-Y86 HydrophobicContact CD1-CD1 4.14Å; I73-Y86 HydrophobicContact CD1-CG 4.13Å; I73-Y86 HydrophobicContact CG1-CD1 3.59Å; I73-Y86 HydrophobicContact CG1-CE1 4.1Å; I73-Y86 HydrophobicContact CG1-CG 4.1Å; I73-L195 HydrophobicContact CD1-CD2 3.67Å; I73-L195 HydrophobicContact CG1-CD2 3.92Å; I73-V202 CarbonylContact C-O 3.59Å; I73-V202 WeakPolarHBondContact CA-O 3.35Å; I73-L204 HydrophobicContact CG2-CB 4.41Å; I73-L204 HydrophobicContact CG2-CD1 3.72Å; I73-L204 HydrophobicContact CG2-CG 3.87Å; I73-L217 HydrophobicContact CD1-CD1 3.72Å; I73-F224 HydrophobicContact CD1-CD2 4.07Å; I73-F224 HydrophobicContact CD1-CE2 4.27Å |
| 74 | E | 88.7 | Confident | 82.7 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.3 | 171.3 | -173 | -175.6 | 142.7 | 0 | 0 | 108.6 | S80 K83 V202 K203 L204 | E74-S80 WeakPolarHBondContact OE1-CB 3.33Å; E74-K83 HydrophobicContact CB-CD 4.41Å; E74-K83 HydrophobicContact CB-CG 4.38Å; E74-K83 HydrophobicContact CG-CG 4.48Å; E74-K83 VanDerWaalsContact OE2-CE 3.3Å; E74-K83 WeakPolarHBondContact OE2-CE 3.39Å; E74-K83 IonicContact OE2-NZ 3.84Å; E74-K83 PolarHBondContact OE2-NZ 2.94Å; E74-V202 PolarHBondContact N-O 2.77Å; E74-K203 HydrophobicContact CB-CG 4.3Å; E74-K203 VanDerWaalsContact CD-CE 3.5Å; E74-K203 VanDerWaalsContact CD-NZ 3.29Å; E74-K203 WeakPolarHBondContact O-CA 3.35Å; E74-K203 WeakPolarHBondContact OE1-CE 3.41Å; E74-K203 IonicContact OE1-NZ 3.46Å; E74-K203 PolarHBondContact OE1-NZ 3.25Å; E74-K203 VanDerWaalsContact OE2-CE 3.24Å; E74-K203 WeakPolarHBondContact OE2-CE 3.49Å; E74-K203 IonicContact OE2-NZ 3.64Å; E74-K203 PolarHBondContact OE2-NZ 2.86Å; E74-L204 PolarHBondContact O-N 3.4Å |
| 75 | F | 84.7 | Confident | 82.9 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.9 | -177.2 | -68.7 | -77.8 | 0 | 0 | 0 | 111.6 | I73 R77 I78 A84 L204 L217 D219 F224 | I73-F75 HydrophobicContact CB-CE2 4.37Å; I73-F75 HydrophobicContact CG2-CD1 4.18Å; I73-F75 HydrophobicContact CG2-CD2 4.12Å; I73-F75 HydrophobicContact CG2-CE1 3.93Å; I73-F75 HydrophobicContact CG2-CE2 3.85Å; I73-F75 HydrophobicContact CG2-CG 4.28Å; I73-F75 HydrophobicContact CG2-CZ 3.75Å; F75-R77 PolarHBondContact O-N 2.82Å; F75-I78 PolarHBondContact O-N 2.94Å; F75-A84 HydrophobicContact CE2-CB 4.08Å; F75-L204 HydrophobicContact CD1-CB 4.16Å; F75-L204 HydrophobicContact CD1-CD1 4.49Å; F75-L204 HydrophobicContact CE1-CB 4.42Å; F75-L204 HydrophobicContact CE1-CD1 3.94Å; F75-L217 HydrophobicContact CE1-CB 4.48Å; F75-L217 HydrophobicContact CZ-CB 4.35Å; F75-D219 HydrophobicContact CB-CB 3.92Å; F75-D219 HydrophobicContact CD1-CB 3.87Å; F75-D219 HydrophobicContact CD2-CB 4.25Å; F75-D219 WeakPolarHBondContact CD2-O 3.37Å; F75-D219 HydrophobicContact CE1-CB 4.41Å; F75-D219 HydrophobicContact CG-CB 3.77Å; F75-F224 AromaticContact CE2-CE2 3.99Å; F75-F224 HydrophobicContact CE2-CE2 3.99Å; F75-F224 HydrophobicContact CE2-CZ 4.45Å; F75-F224 AromaticContact CZ-CE2 3.85Å; F75-F224 HydrophobicContact CZ-CE2 3.85Å; F75-F224 HydrophobicContact CZ-CZ 4.02Å |
| 76 | S | 74.3 | Confident | 83.1 | Confident | 69 Ų | 69 | 43.7 Ų | 43.7 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10.3 | -178.5 | 48.2 | 0 | 0 | 0 | 0 | 116.8 | L204 M205 Y206 | S76-L204 WeakPolarHBondContact CB-O 3.46Å; S76-L204 PolarHBondContact N-O 3.16Å; S76-L204 VanDerWaalsContact N-O 3.1Å; S76-L204 PolarHBondContact OG-O 3.42Å; S76-M205 WeakPolarHBondContact OG-CA 3.41Å; S76-Y206 PolarHBondContact OG-N 3.08Å |
| 77 | R | 67 | Low | 83.3 | Confident | 133 Ų | 133 | 39.7 Ų | 39.7 | 50% | 0.502 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -12.2 | 176.1 | -84.7 | -177.7 | 147.1 | -144.9 | -12.9 | 114.8 | F75 Y206 D219 | F75-R77 PolarHBondContact O-N 2.82Å; R77-Y206 HydrophobicContact CG-CG 4.33Å; R77-D219 WeakPolarHBondContact CD-OD2 3.39Å; R77-D219 IonicContact NH1-OD2 2.67Å |
| 78 | I | 66.1 | Low | 83.4 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -118.8 | 142.4 | -171.9 | -57.2 | 179.3 | 0 | 0 | 0 | 108.6 | F75 S80 F82 M175 D219 | F75-I78 PolarHBondContact O-N 2.94Å; I78-S80 PolarHBondContact O-N 2.94Å; I78-F82 HydrophobicContact CG2-CB 3.83Å; I78-F82 HydrophobicContact CG2-CD2 4.02Å; I78-F82 HydrophobicContact CG2-CG 4.24Å; I78-M175 HydrophobicContact CD1-CE 4.19Å; I78-M175 HydrophobicContact CG2-CE 4.17Å; I78-D219 HydrophobicContact CD1-CB 4.29Å; I78-D219 WeakPolarHBondContact CD1-O 3.04Å |
| 79 | P | 63.1 | Low | 83.6 | Confident | 88 Ų | 88 | 37.7 Ų | 37.7 | 57% | 0.571 | 19% | 0.194 | S | C | * | . | trans | -54.7 | 133 | 173.4 | 20 | -32.1 | 0 | 0 | 0 | 111.5 | Q81 F82 | P79-Q81 PolarHBondContact O-N 2.77Å; P79-F82 HydrophobicContact CG-CD2 4.21Å; P79-F82 HydrophobicContact CG-CE2 4.4Å; P79-F82 PolarHBondContact O-N 3.36Å | ||
| 80 | S | 60.1 | Low | 83.5 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -1.8 | -167 | 56.2 | 0 | 0 | 0 | 0 | 116.9 | E74 I78 F82 | E74-S80 WeakPolarHBondContact OE1-CB 3.33Å; I78-S80 PolarHBondContact O-N 2.94Å; S80-F82 VanDerWaalsContact C-N 3.31Å |
| 81 | Q | 64.2 | Low | 83.4 | Confident | 161 Ų | 161 | 39.2 Ų | 39.2 | 75% | 0.752 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -28.9 | 170.6 | -60.6 | 178.9 | 3.2 | 0 | 0 | 112 | P79 | P79-Q81 PolarHBondContact O-N 2.77Š|
| 82 | F | 73 | Confident | 83.2 | Confident | 52 Ų | 52 | 42.3 Ų | 42.3 | 23% | 0.228 | 22% | 0.218 | C | C | . | . | trans | -95.3 | 116.4 | 177.7 | -61.9 | -83.2 | 0 | 0 | 0 | 110.2 | I78 P79 S80 M175 Q176 | I78-F82 HydrophobicContact CG2-CB 3.83Å; I78-F82 HydrophobicContact CG2-CD2 4.02Å; I78-F82 HydrophobicContact CG2-CG 4.24Å; P79-F82 HydrophobicContact CG-CD2 4.21Å; P79-F82 HydrophobicContact CG-CE2 4.4Å; P79-F82 PolarHBondContact O-N 3.36Å; S80-F82 VanDerWaalsContact C-N 3.31Å; F82-M175 HydrophobicContact CD1-CB 3.89Å; F82-M175 HydrophobicContact CE1-CB 3.32Å; F82-M175 HydrophobicContact CE1-CG 4.34Å; F82-M175 HydrophobicContact CE2-CB 4.28Å; F82-M175 HydrophobicContact CZ-CB 3.55Å; F82-M175 HydrophobicContact CZ-CG 4.29Å; F82-Q176 HydrophobicContact CE1-CG 3.93Å; F82-Q176 HydrophobicContact CZ-CG 4.19Å | ||
| 83 | K | 85.2 | Confident | 83.3 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 34% | 0.335 | 22% | 0.219 | S | C | . | . | trans | -125.1 | 128.5 | 175.5 | -57.5 | -164.1 | -173 | -148.8 | 0 | 109.6 | I73 E74 | I73-K83 CarbonylContact O-C 3.26Å; I73-K83 VanDerWaalsContact O-CA 3.29Å; I73-K83 WeakPolarHBondContact O-CA 3.43Å; E74-K83 HydrophobicContact CB-CD 4.41Å; E74-K83 HydrophobicContact CB-CG 4.38Å; E74-K83 HydrophobicContact CG-CG 4.48Å; E74-K83 VanDerWaalsContact OE2-CE 3.3Å; E74-K83 WeakPolarHBondContact OE2-CE 3.39Å; E74-K83 IonicContact OE2-NZ 3.84Å; E74-K83 PolarHBondContact OE2-NZ 2.94Å | ||
| 84 | A | 89.7 | Confident | 83.4 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T72 I73 F75 H221 T222 F224 | T72-A84 CarbonylContact C-O 3.53Å; T72-A84 WeakPolarHBondContact CA-O 3.42Å; I73-A84 HydrophobicContact CB-CB 4.37Å; I73-A84 PolarHBondContact N-O 3.49Å; I73-A84 PolarHBondContact O-N 3.05Å; F75-A84 HydrophobicContact CE2-CB 4.08Å; A84-H221 WeakPolarHBondContact CB-O 3.44Å; A84-T222 CarbonylContact C-O 3.59Å; A84-T222 VanDerWaalsContact CA-O 3.24Å; A84-T222 WeakPolarHBondContact CA-O 3.15Å; A84-F224 HydrophobicContact CB-CD2 4.13Å; A84-F224 HydrophobicContact CB-CE2 4Å |
| 85 | Q | 92.9 | Very high | 83.6 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 144.4 | 171.1 | -62 | -95.7 | 13.5 | 0 | 0 | 109.8 | W106 T222 H223 F224 | Q85-W106 HydrophobicContact CB-CD2 4.03Å; Q85-W106 HydrophobicContact CB-CG 4.21Å; Q85-W106 HydrophobicContact CB-CZ2 4Å; Q85-W106 HydrophobicContact CG-CD2 4.37Å; Q85-W106 HydrophobicContact CG-CG 4.05Å; Q85-T222 PolarHBondContact N-O 3.01Å; Q85-H223 CarbonylContact O-C 3.55Å; Q85-H223 WeakPolarHBondContact O-CA 3.29Å; Q85-F224 PolarHBondContact O-N 3.03Å |
| 86 | Y | 95.2 | Very high | 84 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152 | 172.4 | 82.7 | -78 | 0 | 0 | 0 | 113.4 | A69 Y70 G71 I73 L195 V202 F224 L226 | A69-Y86 HydrophobicContact CB-CE2 4.3Å; Y70-Y86 WeakPolarHBondContact CA-O 3.19Å; G71-Y86 VanDerWaalsContact C-CE1 3.46Å; G71-Y86 PolarHBondContact N-O 3.13Å; G71-Y86 WeakPolarHBondContact O-CD1 3.43Å; G71-Y86 PolarHBondContact O-N 2.94Å; I73-Y86 HydrophobicContact CD1-CD1 4.14Å; I73-Y86 HydrophobicContact CD1-CG 4.13Å; I73-Y86 HydrophobicContact CG1-CD1 3.59Å; I73-Y86 HydrophobicContact CG1-CE1 4.1Å; I73-Y86 HydrophobicContact CG1-CG 4.1Å; Y86-L195 HydrophobicContact CD2-CD2 4.18Å; Y86-L195 HydrophobicContact CE1-CD2 4.37Å; Y86-L195 HydrophobicContact CE2-CB 4.04Å; Y86-L195 HydrophobicContact CE2-CD2 3.93Å; Y86-L195 VanDerWaalsContact CE2-O 3.3Å; Y86-L195 WeakPolarHBondContact CE2-O 3.49Å; Y86-L195 PolarHBondContact OH-O 3.34Å; Y86-V202 HydrophobicContact CE1-CG2 4.15Å; Y86-F224 WeakPolarHBondContact CA-O 3.36Å; Y86-L226 HydrophobicContact CD2-CD1 3.97Å |
| 87 | I | 95.5 | Very high | 84.9 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 140.9 | 172.7 | -173.4 | 166.2 | 0 | 0 | 0 | 110.5 | I10 F14 L89 L101 W106 F224 L225 L226 | I10-I87 HydrophobicContact CG1-CD1 4.28Å; I10-I87 HydrophobicContact CG2-CD1 3.88Å; F14-I87 HydrophobicContact CB-CD1 3.93Å; F14-I87 HydrophobicContact CD1-CD1 3.85Å; F14-I87 HydrophobicContact CD2-CD1 3.74Å; F14-I87 HydrophobicContact CE1-CD1 4.27Å; F14-I87 HydrophobicContact CE2-CD1 4.17Å; F14-I87 HydrophobicContact CG-CD1 3.55Å; F14-I87 HydrophobicContact CZ-CD1 4.41Å; I87-L89 HydrophobicContact CG2-CD2 4.11Å; I87-L101 HydrophobicContact CD1-CD1 4.38Å; I87-L101 HydrophobicContact CD1-CD2 3.98Å; I87-L101 HydrophobicContact CG2-CD2 3.82Å; I87-W106 HydrophobicContact CB-CZ2 4.34Å; I87-W106 HydrophobicContact CG2-CH2 3.99Å; I87-W106 HydrophobicContact CG2-CZ2 3.81Å; I87-F224 PolarHBondContact N-O 3.12Å; I87-F224 VanDerWaalsContact N-O 3.17Å; I87-L225 HydrophobicContact CG2-CD2 3.78Å; I87-L226 WeakPolarHBondContact O-CB 3.44Å; I87-L226 PolarHBondContact O-N 3.49Å |
| 88 | R | 95.2 | Very high | 86.3 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 4% | 0.038 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130 | 166 | -179.2 | -178.6 | 177.2 | 175.2 | 7.3 | 110 | R16 T67 N68 A69 W186 L226 D228 | R16-R88 HydrophobicContact CB-CG 4.28Å; T67-R88 WeakPolarHBondContact CB-O 3.2Å; T67-R88 PolarHBondContact OG1-O 3.07Å; N68-R88 PolarHBondContact OD1-NH1 3.23Å; A69-R88 HydrophobicContact CB-CB 3.79Å; A69-R88 WeakPolarHBondContact O-CB 3.38Å; A69-R88 PolarHBondContact O-N 3.22Å; R88-W186 HydrophobicContact CB-CE3 4.35Å; R88-W186 HydrophobicContact CG-CD2 4.22Å; R88-W186 HydrophobicContact CG-CE3 4.11Å; R88-L226 CarbonylContact C-O 3.6Å; R88-L226 WeakPolarHBondContact CA-O 3.28Å; R88-D228 HydrophobicContact CG-CB 4.25Å; R88-D228 IonicContact CZ-OD2 2.68Å; R88-D228 IonicContact NE-OD2 2.68Å; R88-D228 PolarHBondContact NE-OD2 3.27Å; R88-D228 IonicContact NH2-OD2 2.75Å; R88-D228 PolarHBondContact NH2-OD2 3.26Å |
| 89 | L | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 166.9 | -176.7 | 64.5 | 147.7 | 0 | 0 | 0 | 112.2 | F14 Q15 I87 T93 I98 L225 L226 D228 L241 | F14-L89 HydrophobicContact CD1-CB 3.88Å; Q15-L89 CarbonylContact O-C 3.4Å; Q15-L89 VanDerWaalsContact O-CA 3.27Å; Q15-L89 WeakPolarHBondContact O-CA 3.39Å; I87-L89 HydrophobicContact CG2-CD2 4.11Å; L89-T93 HydrophobicContact CD1-CG2 4.27Å; L89-I98 HydrophobicContact CD1-CD1 4.03Å; L89-I98 HydrophobicContact CD1-CG1 4.39Å; L89-L225 HydrophobicContact CD2-CB 3.94Å; L89-L225 HydrophobicContact CD2-CD2 4.04Å; L89-L226 PolarHBondContact N-O 3.18Å; L89-D228 WeakPolarHBondContact O-CB 3.13Å; L89-D228 PolarHBondContact O-N 3.23Å; L89-L241 HydrophobicContact CD1-CD1 3.59Å; L89-L241 HydrophobicContact CD1-CD2 4.14Å |
| 90 | N | 93.2 | Very high | 88.8 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 148.2 | -178.3 | 177.8 | 9.9 | 0 | 0 | 0 | 110.3 | Q15 R17 D92 T93 L241 | Q15-N90 WeakPolarHBondContact O-CB 3.17Å; Q15-N90 PolarHBondContact O-N 2.98Å; R17-N90 VanDerWaalsContact CD-OD1 3.29Å; R17-N90 WeakPolarHBondContact CD-OD1 3.36Å; R17-N90 WeakPolarHBondContact CG-OD1 3.47Å; R17-N90 PolarHBondContact NE-OD1 3.2Å; N90-D92 PolarHBondContact O-N 2.73Å; N90-D92 PolarHBondContact OD1-N 3.02Å; N90-T93 PolarHBondContact N-OG1 3.47Å; N90-T93 WeakPolarHBondContact O-CB 3.35Å; N90-T93 PolarHBondContact O-N 3.46Å; N90-T93 PolarHBondContact O-OG1 2.76Å; N90-L241 WeakPolarHBondContact O-CD1 3.39Å |
| 91 | N | 91.2 | Very high | 90.4 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21 | 175 | 82.2 | -58.1 | 0 | 0 | 0 | 114 | R17 V227 D228 D229 | R17-N91 WeakPolarHBondContact CD-OD1 3.37Å; R17-N91 PolarHBondContact NE-OD1 2.91Å; N91-V227 HydrophobicContact CB-CG1 3.85Å; N91-D228 PolarHBondContact N-O 3.1Å; N91-D229 HydrophobicContact CB-CB 4.23Å |
| 92 | D | 90.4 | Very high | 91.8 | Very high | 67 Ų | 67 | 28.7 Ų | 28.7 | 36% | 0.358 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 18.1 | 175 | -65.9 | -64.1 | 0 | 0 | 0 | 113.7 | R17 K59 N90 | R17-D92 IonicContact CZ-OD2 2.73Å; R17-D92 IonicContact NE-OD2 2.7Å; R17-D92 IonicContact NH2-OD2 3.94Å; R17-D92 PolarHBondContact NH2-OD2 3.44Å; K59-D92 WeakPolarHBondContact CE-OD1 3.37Å; K59-D92 WeakPolarHBondContact CE-OD2 3.37Å; K59-D92 IonicContact NZ-OD1 2.73Å; K59-D92 PolarHBondContact NZ-OD1 3.38Å; K59-D92 IonicContact NZ-OD2 3.95Å; N90-D92 PolarHBondContact O-N 2.73Å; N90-D92 PolarHBondContact OD1-N 3.02Å |
| 93 | T | 93.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 10% | 0.104 | 15% | 0.148 | C | C | . | . | trans | -71.2 | 133.3 | 179.9 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | F14 L89 N90 P95 I98 | F14-T93 HydrophobicContact CD1-CG2 4.13Å; F14-T93 HydrophobicContact CE1-CG2 3.96Å; L89-T93 HydrophobicContact CD1-CG2 4.27Å; N90-T93 PolarHBondContact N-OG1 3.47Å; N90-T93 WeakPolarHBondContact O-CB 3.35Å; N90-T93 PolarHBondContact O-N 3.46Å; N90-T93 PolarHBondContact O-OG1 2.76Å; T93-P95 WeakPolarHBondContact O-CD 3.36Å; T93-I98 HydrophobicContact CG2-CG1 4.2Å | ||
| 94 | D | 93.5 | Very high | 92.6 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | trans | -58.4 | 121.6 | 179 | -177.4 | -12.7 | 0 | 0 | 0 | 112.2 | K96 H97 | D94-K96 PolarHBondContact O-N 3.39Å; D94-K96 VanDerWaalsContact OD1-CB 3.27Å; D94-K96 WeakPolarHBondContact OD1-CB 3.19Å; D94-K96 PolarHBondContact OD1-N 3.42Å; D94-H97 PolarHBondContact O-N 2.8Å | ||
| 95 | P | 93.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -41.8 | -34.6 | 169.6 | -37.5 | 41.3 | 0 | 0 | 0 | 116.5 | T93 H97 I98 L99 D244 F245 Y248 | T93-P95 WeakPolarHBondContact O-CD 3.36Å; P95-H97 VanDerWaalsContact C-N 3.35Å; P95-H97 PolarHBondContact O-N 2.74Å; P95-I98 PolarHBondContact O-N 3.3Å; P95-L99 PolarHBondContact O-N 2.91Å; P95-L99 VanDerWaalsContact O-N 3.09Å; P95-D244 HydrophobicContact CG-CB 4.03Å; P95-F245 HydrophobicContact CB-CD2 3.98Å; P95-F245 WeakPolarHBondContact O-CE2 3.16Å; P95-Y248 VanDerWaalsContact CB-CB 3.42Å; P95-Y248 HydrophobicContact CB-CD1 4.08Å; P95-Y248 HydrophobicContact CB-CD2 3.72Å; P95-Y248 HydrophobicContact CB-CG 3.48Å; P95-Y248 VanDerWaalsContact CB-CG 3.48Å |
| 96 | K | 92.7 | Very high | 92.5 | Very high | 88 Ų | 88 | 31.7 Ų | 31.7 | 38% | 0.383 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 177 | -177.7 | -174.5 | 170.8 | -162.1 | 0 | 111.9 | D94 I98 L99 E100 Y248 | D94-K96 PolarHBondContact O-N 3.39Å; D94-K96 VanDerWaalsContact OD1-CB 3.27Å; D94-K96 WeakPolarHBondContact OD1-CB 3.19Å; D94-K96 PolarHBondContact OD1-N 3.42Å; K96-I98 VanDerWaalsContact C-N 3.34Å; K96-L99 PolarHBondContact O-N 3.12Å; K96-E100 WeakPolarHBondContact CE-OE1 3.31Å; K96-E100 IonicContact NZ-OE1 3.32Å; K96-E100 PolarHBondContact O-N 3.42Å; K96-Y248 HydrophobicContact CB-CE2 4.1Å; K96-Y248 WeakPolarHBondContact CB-OH 3.26Å; K96-Y248 WeakPolarHBondContact CG-OH 3.24Å |
| 97 | H | 94 | Very high | 92.3 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 27% | 0.269 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.4 | -34 | -178.2 | -68.3 | -49 | 0 | 0 | 0 | 111.9 | V13 F14 D94 P95 E100 L101 | V13-H97 HydrophobicContact CG1-CB 3.68Å; F14-H97 HydrophobicContact CZ-CB 4.13Å; D94-H97 PolarHBondContact O-N 2.8Å; P95-H97 VanDerWaalsContact C-N 3.35Å; P95-H97 PolarHBondContact O-N 2.74Å; H97-E100 PolarHBondContact O-N 3.23Å; H97-L101 WeakPolarHBondContact O-CB 3.46Å; H97-L101 PolarHBondContact O-N 3.11Å |
| 98 | I | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 172.7 | -51.4 | 176.9 | 0 | 0 | 0 | 110.2 | F14 L89 T93 P95 K96 L101 M102 L225 L241 F245 | F14-I98 HydrophobicContact CE1-CG1 4.45Å; L89-I98 HydrophobicContact CD1-CD1 4.03Å; L89-I98 HydrophobicContact CD1-CG1 4.39Å; T93-I98 HydrophobicContact CG2-CG1 4.2Å; P95-I98 PolarHBondContact O-N 3.3Å; K96-I98 VanDerWaalsContact C-N 3.34Å; I98-L101 WeakPolarHBondContact O-CB 3.25Å; I98-L101 PolarHBondContact O-N 3.34Å; I98-M102 WeakPolarHBondContact O-CG 3.4Å; I98-M102 PolarHBondContact O-N 3.45Å; I98-L225 HydrophobicContact CG2-CD1 3.7Å; I98-L225 HydrophobicContact CG2-CD2 4.01Å; I98-L241 HydrophobicContact CD1-CD1 4.21Å; I98-L241 HydrophobicContact CD1-CD2 3.78Å; I98-L241 HydrophobicContact CD1-CG 4.14Å; I98-F245 HydrophobicContact CB-CD2 4.02Å; I98-F245 HydrophobicContact CB-CE2 3.69Å; I98-F245 HydrophobicContact CB-CZ 4.05Å; I98-F245 HydrophobicContact CD1-CD2 4.32Å; I98-F245 HydrophobicContact CD1-CG 4.41Å; I98-F245 HydrophobicContact CG2-CD1 4.32Å; I98-F245 HydrophobicContact CG2-CD2 4.17Å; I98-F245 HydrophobicContact CG2-CE1 3.84Å; I98-F245 HydrophobicContact CG2-CE2 3.7Å; I98-F245 HydrophobicContact CG2-CG 4.48Å; I98-F245 HydrophobicContact CG2-CZ 3.52Å |
| 99 | L | 91 | Very high | 91.4 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 176 | -177.9 | 59.9 | 0 | 0 | 0 | 112.3 | P95 K96 M102 Q103 W148 F245 Y248 L249 F253 | P95-L99 PolarHBondContact O-N 2.91Å; P95-L99 VanDerWaalsContact O-N 3.09Å; K96-L99 PolarHBondContact O-N 3.12Å; L99-M102 PolarHBondContact O-N 2.8Å; L99-Q103 HydrophobicContact CD1-CG 4.07Å; L99-Q103 WeakPolarHBondContact O-CB 3.45Å; L99-Q103 WeakPolarHBondContact O-CG 3.39Å; L99-Q103 PolarHBondContact O-N 3.05Å; L99-W148 HydrophobicContact CD1-CH2 4.45Å; L99-F245 HydrophobicContact CB-CE2 4.19Å; L99-Y248 HydrophobicContact CD2-CE1 3.93Å; L99-L249 HydrophobicContact CD1-CD2 3.99Å; L99-F253 HydrophobicContact CD1-CD2 3.84Å; L99-F253 HydrophobicContact CD1-CE2 3.73Å; L99-F253 HydrophobicContact CD2-CD2 4.19Å |
| 100 | E | 91.4 | Very high | 90.9 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 176.7 | -74.1 | -167.7 | -143.8 | 0 | 0 | 112.5 | F9 K96 H97 Q103 K104 | F9-E100 HydrophobicContact CZ-CB 4.14Å; K96-E100 WeakPolarHBondContact CE-OE1 3.31Å; K96-E100 IonicContact NZ-OE1 3.32Å; K96-E100 PolarHBondContact O-N 3.42Å; H97-E100 PolarHBondContact O-N 3.23Å; E100-Q103 PolarHBondContact O-N 2.92Å; E100-K104 HydrophobicContact CB-CD 4.34Å; E100-K104 VanDerWaalsContact O-CB 3.24Å; E100-K104 WeakPolarHBondContact O-CB 3.37Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 2.83Å; E100-K104 WeakPolarHBondContact OE2-CE 3.43Å; E100-K104 IonicContact OE2-NZ 3.55Å; E100-K104 PolarHBondContact OE2-NZ 3.46Å |
| 101 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -58.5 | -51.2 | 171.8 | -179.3 | 78.1 | 0 | 0 | 0 | 111.1 | F9 I10 F14 I87 H97 I98 Q103 V105 W106 | F9-L101 HydrophobicContact CE1-CB 4.42Å; F9-L101 HydrophobicContact CE1-CD1 4.37Å; I10-L101 HydrophobicContact CD1-CD1 4.08Å; I10-L101 HydrophobicContact CG1-CD1 3.83Å; F14-L101 HydrophobicContact CE2-CB 4.22Å; F14-L101 HydrophobicContact CE2-CD1 4.16Å; F14-L101 HydrophobicContact CE2-CD2 4.4Å; F14-L101 HydrophobicContact CZ-CB 3.93Å; F14-L101 HydrophobicContact CZ-CD2 3.99Å; F14-L101 HydrophobicContact CZ-CG 4.37Å; I87-L101 HydrophobicContact CD1-CD1 4.38Å; I87-L101 HydrophobicContact CD1-CD2 3.98Å; I87-L101 HydrophobicContact CG2-CD2 3.82Å; H97-L101 WeakPolarHBondContact O-CB 3.46Å; H97-L101 PolarHBondContact O-N 3.11Å; I98-L101 WeakPolarHBondContact O-CB 3.25Å; I98-L101 PolarHBondContact O-N 3.34Å; L101-Q103 PolarHBondContact O-N 2.71Å; L101-V105 HydrophobicContact CD1-CB 3.95Å; L101-V105 HydrophobicContact CD1-CG1 4.2Å; L101-V105 HydrophobicContact CD1-CG2 4.05Å; L101-V105 WeakPolarHBondContact O-CA 3.3Å; L101-V105 WeakPolarHBondContact O-CB 3.42Å; L101-V105 PolarHBondContact O-N 3.21Å; L101-W106 HydrophobicContact CD2-CD2 4.35Å; L101-W106 HydrophobicContact CD2-CH2 3.98Å; L101-W106 HydrophobicContact CD2-CZ2 3.72Å; L101-W106 HydrophobicContact CD2-CZ3 4.38Å; L101-W106 HydrophobicContact CG-CD2 4.25Å; L101-W106 HydrophobicContact CG-CZ2 4.41Å; L101-W106 PolarHBondContact O-N 3.12Å |
| 102 | M | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -60.7 | -42.3 | -179.6 | -72 | -174.2 | 72.9 | 0 | 0 | 112.6 | I98 L99 W106 K107 V108 W148 I181 F245 | I98-M102 WeakPolarHBondContact O-CG 3.4Å; I98-M102 PolarHBondContact O-N 3.45Å; L99-M102 PolarHBondContact O-N 2.8Å; M102-W106 HydrophobicContact CG-CE3 3.82Å; M102-W106 HydrophobicContact CG-CZ3 4.07Å; M102-K107 PolarHBondContact O-N 2.91Å; M102-K107 VanDerWaalsContact O-N 3.09Å; M102-V108 HydrophobicContact CB-CG2 4.5Å; M102-V108 HydrophobicContact CE-CG1 4.45Å; M102-V108 HydrophobicContact CE-CG2 4.48Å; M102-V108 WeakPolarHBondContact O-CG2 3.11Å; M102-V108 PolarHBondContact O-N 2.88Å; M102-W148 HydrophobicContact CB-CH2 4.41Å; M102-W148 HydrophobicContact CE-CD2 4.05Å; M102-W148 HydrophobicContact CE-CE3 3.7Å; M102-W148 HydrophobicContact CE-CH2 3.52Å; M102-W148 HydrophobicContact CE-CZ2 3.88Å; M102-W148 HydrophobicContact CE-CZ3 3.43Å; M102-W148 VanDerWaalsContact CE-CZ3 3.43Å; M102-W148 HydrophobicContact SD-CH2 4.14Å; M102-W148 HydrophobicContact SD-CZ3 3.88Å; M102-I181 HydrophobicContact CE-CD1 3.45Å; M102-I181 VanDerWaalsContact CE-CD1 3.45Å; M102-I181 HydrophobicContact CE-CG1 4.24Å; M102-F245 HydrophobicContact SD-CE1 4.07Å; M102-F245 HydrophobicContact SD-CZ 3.79Å |
| 103 | Q | 87.5 | Confident | 89.7 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -82.3 | -42.7 | -175.8 | -70.2 | -175.4 | -15.1 | 0 | 0 | 113.8 | L99 E100 L101 K107 | L99-Q103 HydrophobicContact CD1-CG 4.07Å; L99-Q103 WeakPolarHBondContact O-CB 3.45Å; L99-Q103 WeakPolarHBondContact O-CG 3.39Å; L99-Q103 PolarHBondContact O-N 3.05Å; E100-Q103 PolarHBondContact O-N 2.92Å; L101-Q103 PolarHBondContact O-N 2.71Å; Q103-K107 WeakPolarHBondContact O-CA 3.37Å |
| 104 | K | 88 | Confident | 89.5 | Confident | 125 Ų | 125 | 45.7 Ų | 45.7 | 54% | 0.543 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -88.4 | -48.2 | -174.7 | -60.9 | 176.4 | 175.3 | 176.9 | 0 | 112.5 | E100 K107 | E100-K104 HydrophobicContact CB-CD 4.34Å; E100-K104 VanDerWaalsContact O-CB 3.24Å; E100-K104 WeakPolarHBondContact O-CB 3.37Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 2.83Å; E100-K104 WeakPolarHBondContact OE2-CE 3.43Å; E100-K104 IonicContact OE2-NZ 3.55Å; E100-K104 PolarHBondContact OE2-NZ 3.46Å; K104-K107 WeakPolarHBondContact O-CE 3.33Å; K104-K107 VanDerWaalsContact O-CG 3.29Å; K104-K107 WeakPolarHBondContact O-CG 3.32Å; K104-K107 PolarHBondContact O-NZ 3.32Å |
| 105 | V | 90.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -87.4 | -58.5 | -170.2 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | L2 E6 F9 I10 L101 K107 | L2-V105 HydrophobicContact CD2-CG1 3.64Å; E6-V105 HydrophobicContact CB-CG1 3.94Å; E6-V105 HydrophobicContact CG-CB 4.49Å; E6-V105 HydrophobicContact CG-CG1 3.99Å; E6-V105 HydrophobicContact CG-CG2 4.29Å; F9-V105 HydrophobicContact CD1-CG2 3.84Å; F9-V105 HydrophobicContact CE1-CG2 4.15Å; I10-V105 HydrophobicContact CD1-CG1 4.39Å; L101-V105 HydrophobicContact CD1-CB 3.95Å; L101-V105 HydrophobicContact CD1-CG1 4.2Å; L101-V105 HydrophobicContact CD1-CG2 4.05Å; L101-V105 WeakPolarHBondContact O-CA 3.3Å; L101-V105 WeakPolarHBondContact O-CB 3.42Å; L101-V105 PolarHBondContact O-N 3.21Å; V105-K107 VanDerWaalsContact C-N 3.3Å; V105-K107 PolarHBondContact O-N 3.45Å; V105-K107 PolarHBondContact O-NZ 2.74Å |
| 106 | W | 91.1 | Very high | 89.2 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 8% | 0.076 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -76.6 | -15.7 | 178.8 | -62.6 | -14.1 | 0 | 0 | 0 | 113.6 | Q85 I87 L101 M102 V108 H223 L225 | Q85-W106 HydrophobicContact CB-CD2 4.03Å; Q85-W106 HydrophobicContact CB-CG 4.21Å; Q85-W106 HydrophobicContact CB-CZ2 4Å; Q85-W106 HydrophobicContact CG-CD2 4.37Å; Q85-W106 HydrophobicContact CG-CG 4.05Å; I87-W106 HydrophobicContact CB-CZ2 4.34Å; I87-W106 HydrophobicContact CG2-CH2 3.99Å; I87-W106 HydrophobicContact CG2-CZ2 3.81Å; L101-W106 HydrophobicContact CD2-CD2 4.35Å; L101-W106 HydrophobicContact CD2-CH2 3.98Å; L101-W106 HydrophobicContact CD2-CZ2 3.72Å; L101-W106 HydrophobicContact CD2-CZ3 4.38Å; L101-W106 HydrophobicContact CG-CD2 4.25Å; L101-W106 HydrophobicContact CG-CZ2 4.41Å; L101-W106 PolarHBondContact O-N 3.12Å; M102-W106 HydrophobicContact CG-CE3 3.82Å; M102-W106 HydrophobicContact CG-CZ3 4.07Å; W106-V108 HydrophobicContact CB-CG2 3.81Å; W106-V108 PolarHBondContact O-N 3.27Å; W106-H223 AromaticContact CD2-CD2 3.71Å; W106-H223 HydrophobicContact CE3-CB 4.23Å; W106-H223 AromaticContact CE3-CD2 3.33Å; W106-H223 HydrophobicContact CH2-CB 4.4Å; W106-H223 HydrophobicContact CZ3-CB 3.84Å; W106-H223 AromaticContact CZ3-CD2 3.85Å; W106-L225 HydrophobicContact CH2-CD2 3.79Å; W106-L225 HydrophobicContact CH2-CG 4.4Å; W106-L225 HydrophobicContact CZ3-CD2 4.21Å |
| 107 | K | 90.1 | Very high | 89.1 | Confident | 127 Ų | 127 | 38.1 Ų | 38.1 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | trans | 56.9 | 34.6 | 174 | -58.6 | 174.4 | -172.5 | 78.4 | 0 | 113.2 | E6 M102 Q103 K104 V105 K109 | E6-K107 IonicContact OE1-NZ 3.73Å; E6-K107 PolarHBondContact OE1-NZ 3.17Å; M102-K107 PolarHBondContact O-N 2.91Å; M102-K107 VanDerWaalsContact O-N 3.09Å; Q103-K107 WeakPolarHBondContact O-CA 3.37Å; K104-K107 WeakPolarHBondContact O-CE 3.33Å; K104-K107 VanDerWaalsContact O-CG 3.29Å; K104-K107 WeakPolarHBondContact O-CG 3.32Å; K104-K107 PolarHBondContact O-NZ 3.32Å; V105-K107 VanDerWaalsContact C-N 3.3Å; V105-K107 PolarHBondContact O-N 3.45Å; V105-K107 PolarHBondContact O-NZ 2.74Å; K107-K109 PolarHBondContact O-N 3.37Å | ||
| 108 | V | 87.1 | Confident | 88.9 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 128.9 | -178.5 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | M102 W106 W148 T179 H223 | M102-V108 HydrophobicContact CB-CG2 4.5Å; M102-V108 HydrophobicContact CE-CG1 4.45Å; M102-V108 HydrophobicContact CE-CG2 4.48Å; M102-V108 WeakPolarHBondContact O-CG2 3.11Å; M102-V108 PolarHBondContact O-N 2.88Å; W106-V108 HydrophobicContact CB-CG2 3.81Å; W106-V108 PolarHBondContact O-N 3.27Å; V108-W148 HydrophobicContact CB-CZ2 4.11Å; V108-W148 HydrophobicContact CG1-CZ2 3.65Å; V108-T179 HydrophobicContact CG1-CG2 3.69Å; V108-H223 WeakPolarHBondContact CG2-NE2 3.43Å |
| 109 | K | 84.8 | Confident | 88.7 | Confident | 151 Ų | 151 | 37.3 Ų | 37.3 | 66% | 0.657 | 19% | 0.187 | S | C | * | . | P | Polyproline II helix | trans | -57.7 | 135.2 | 174.5 | -76.4 | 179.2 | 178.4 | 170.5 | 0 | 110.3 | K107 W148 | K107-K109 PolarHBondContact O-N 3.37Å; K109-W148 PolarHBondContact O-NE1 3.47Å |
| 110 | P | 83.5 | Confident | 88.2 | Confident | 49 Ų | 49 | 36.5 Ų | 36.5 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 145 | -179.5 | 28.7 | -36.6 | 0 | 0 | 0 | 111.4 | N146 F253 L255 | P110-N146 PolarHBondContact O-ND2 2.92Å; P110-F253 HydrophobicContact CB-CE1 4.19Å; P110-F253 HydrophobicContact CB-CZ 3.75Å; P110-L255 HydrophobicContact CB-CD1 3.88Å; P110-L255 HydrophobicContact CB-CD2 3.84Å; P110-L255 HydrophobicContact CB-CG 4.44Å; P110-L255 HydrophobicContact CG-CD1 3.82Å; P110-L255 HydrophobicContact CG-CD2 3.65Å; P110-L255 HydrophobicContact CG-CG 4.4Å |
| 111 | P | 84.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.045 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -77 | 145 | -174.8 | 28 | -27.4 | 0 | 0 | 0 | 112.1 | L113 V114 N146 W148 F253 P260 | P111-L113 WeakPolarHBondContact CB-O 3.35Å; P111-V114 HydrophobicContact CB-CG2 4.04Å; P111-V114 HydrophobicContact CG-CG2 3.75Å; P111-N146 WeakPolarHBondContact CA-O 3.2Å; P111-W148 HydrophobicContact CB-CB 4.11Å; P111-W148 HydrophobicContact CB-CD2 3.95Å; P111-W148 HydrophobicContact CB-CG 3.66Å; P111-W148 HydrophobicContact CG-CD2 3.7Å; P111-W148 HydrophobicContact CG-CE3 3.97Å; P111-W148 HydrophobicContact CG-CG 3.97Å; P111-W148 HydrophobicContact CG-CZ2 4.44Å; P111-W148 HydrophobicContact CG-CZ3 4.45Å; P111-F253 VanDerWaalsContact CD-CZ 3.48Å; P111-F253 HydrophobicContact CG-CZ 4.33Å; P111-P260 HydrophobicContact CG-CB 4.22Å; P111-P260 HydrophobicContact CG-CG 4.2Å |
| 112 | G | 79.8 | Confident | 87.1 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 46% | 0.464 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -84.2 | -16.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T145 N146 P261 | G112-T145 WeakPolarHBondContact CA-O 3.19Å; G112-T145 PolarHBondContact N-O 3.42Å; G112-N146 PolarHBondContact N-O 2.85Å; G112-P261 WeakPolarHBondContact O-CD 3.25Å |
| 113 | L | 85.5 | Confident | 86.5 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 143 | -179.7 | 171.5 | 67.3 | 0 | 0 | 0 | 108.7 | P111 I115 V141 A147 W148 P261 V263 | P111-L113 WeakPolarHBondContact CB-O 3.35Å; L113-I115 HydrophobicContact CD2-CD1 3.95Å; L113-I115 HydrophobicContact CD2-CG1 3.89Å; L113-I115 HydrophobicContact CG-CG1 3.95Å; L113-V141 HydrophobicContact CD2-CG1 3.36Å; L113-A147 HydrophobicContact CB-CB 4.14Å; L113-A147 HydrophobicContact CD2-CB 4.27Å; L113-A147 HydrophobicContact CG-CB 4.35Å; L113-A147 VanDerWaalsContact O-CA 3.24Å; L113-A147 WeakPolarHBondContact O-CA 3.26Å; L113-W148 PolarHBondContact O-N 3.43Å; L113-P261 HydrophobicContact CD1-CB 4.27Å; L113-P261 HydrophobicContact CD1-CG 3.84Å; L113-V263 HydrophobicContact CD1-CG2 4.08Å |
| 114 | V | 89 | Confident | 86.5 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.5 | 169.5 | -174 | 0 | 0 | 0 | 0 | 109.2 | P111 F150 P260 P261 L262 V263 | P111-V114 HydrophobicContact CB-CG2 4.04Å; P111-V114 HydrophobicContact CG-CG2 3.75Å; V114-F150 HydrophobicContact CG1-CD2 3.72Å; V114-F150 HydrophobicContact CG1-CE2 3.6Å; V114-P260 HydrophobicContact CG2-CB 4.35Å; V114-P260 HydrophobicContact CG2-CG 4.41Å; V114-P261 PolarHBondContact N-O 2.97Å; V114-L262 HydrophobicContact CB-CD1 3.79Å; V114-L262 HydrophobicContact CG1-CD1 3.53Å; V114-L262 WeakPolarHBondContact O-CA 3.39Å; V114-V263 PolarHBondContact O-N 2.8Å |
| 115 | I | 89.5 | Confident | 86.3 | Confident | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.6 | 177.6 | -52.4 | 178.1 | 0 | 0 | 0 | 107.5 | L113 I117 L138 V141 A147 W148 V149 F150 V263 V265 | L113-I115 HydrophobicContact CD2-CD1 3.95Å; L113-I115 HydrophobicContact CD2-CG1 3.89Å; L113-I115 HydrophobicContact CG-CG1 3.95Å; I115-I117 HydrophobicContact CG2-CG1 4.24Å; I115-L138 HydrophobicContact CD1-CD1 3.92Å; I115-L138 HydrophobicContact CG2-CD1 4.35Å; I115-V141 HydrophobicContact CD1-CG1 3.83Å; I115-A147 HydrophobicContact CD1-CB 4.18Å; I115-A147 HydrophobicContact CG1-CB 4.45Å; I115-W148 PolarHBondContact N-O 3.21Å; I115-V149 HydrophobicContact CB-CG2 4.42Å; I115-V149 HydrophobicContact CD1-CG2 4.43Å; I115-V149 CarbonylContact O-C 3.46Å; I115-V149 WeakPolarHBondContact O-CA 3.43Å; I115-F150 PolarHBondContact O-N 3.37Å; I115-V263 WeakPolarHBondContact CA-O 3.45Å; I115-V265 HydrophobicContact CG2-CG2 3.7Å |
| 116 | S | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.8 | 174.7 | -158.2 | 0 | 0 | 0 | 0 | 111.1 | H118 R242 E246 V263 S264 V265 | S116-H118 PolarHBondContact OG-NE2 2.67Å; S116-H118 VanDerWaalsContact OG-NE2 3.08Å; S116-R242 PolarHBondContact OG-NE 2.91Å; S116-R242 PolarHBondContact OG-NH2 2.64Å; S116-E246 WeakPolarHBondContact CB-OE1 3.39Å; S116-E246 VanDerWaalsContact OG-CD 3.23Å; S116-E246 PolarHBondContact OG-OE1 3.01Å; S116-V263 PolarHBondContact N-O 3.04Å; S116-S264 CarbonylContact O-C 3.55Å; S116-S264 WeakPolarHBondContact O-CA 3.49Å; S116-V265 PolarHBondContact O-N 2.93Å |
| 117 | I | 91.3 | Very high | 85.7 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.8 | -176.4 | -55.3 | -179.1 | 0 | 0 | 0 | 109.8 | I115 L138 V149 F150 T151 L162 R242 I267 | I115-I117 HydrophobicContact CG2-CG1 4.24Å; I117-L138 HydrophobicContact CD1-CD1 4.18Å; I117-L138 HydrophobicContact CD1-CD2 4.25Å; I117-V149 HydrophobicContact CD1-CG1 3.72Å; I117-V149 HydrophobicContact CG1-CG1 4.17Å; I117-F150 PolarHBondContact N-O 3.33Å; I117-T151 HydrophobicContact CB-CG2 4.47Å; I117-T151 HydrophobicContact CD1-CG2 4.34Å; I117-L162 HydrophobicContact CD1-CD1 3.99Å; I117-R242 PolarHBondContact O-NH1 3.42Å; I117-R242 PolarHBondContact O-NH2 3.33Å; I117-I267 HydrophobicContact CG2-CD1 3.92Å |
| 118 | H | 89.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140 | 178.7 | -69.2 | -95.6 | 0 | 0 | 0 | 111 | S116 R242 E246 V265 I266 I267 Y276 | S116-H118 PolarHBondContact OG-NE2 2.67Å; S116-H118 VanDerWaalsContact OG-NE2 3.08Å; H118-R242 PolarHBondContact CE1-NE 3.41Å; H118-R242 VanDerWaalsContact CE1-NE 3.29Å; H118-R242 PolarHBondContact NE2-NE 3.39Å; H118-R242 PolarHBondContact NE2-NH2 3.14Å; H118-R242 VanDerWaalsContact NE2-NH2 3.16Å; H118-E246 IonicContact NE2-OE1 2.76Å; H118-E246 IonicContact NE2-OE2 3.57Å; H118-V265 PolarHBondContact N-O 3.05Å; H118-I266 HydrophobicContact CB-CG1 4.46Å; H118-I267 PolarHBondContact O-N 3.4Å; H118-I267 VanDerWaalsContact O-N 3.07Å; H118-Y276 HydrophobicContact CB-CD1 4.5Å; H118-Y276 HydrophobicContact CB-CE1 4.23Å; H118-Y276 AromaticContact CD2-CE1 3.51Å; H118-Y276 AromaticContact CD2-CZ 3.62Å; H118-Y276 PolarHBondContact CD2-OH 2.86Å; H118-Y276 AromaticContact CE1-CE1 3.84Å; H118-Y276 AromaticContact CE1-CE2 3.82Å; H118-Y276 AromaticContact CE1-CZ 3.49Å; H118-Y276 VanDerWaalsContact CE1-CZ 3.49Å; H118-Y276 AromaticContact CG-CE1 3.55Å; H118-Y276 AromaticContact CG-CZ 3.97Å; H118-Y276 AromaticContact ND1-CE1 3.76Å; H118-Y276 AromaticContact ND1-CZ 3.9Å; H118-Y276 AromaticContact NE2-CE1 3.74Å; H118-Y276 AromaticContact NE2-CZ 3.33Å; H118-Y276 VanDerWaalsContact NE2-CZ 3.33Å; H118-Y276 PolarHBondContact NE2-OH 2.87Å |
| 119 | Q | 89.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 15% | 0.15 | 27% | 0.274 | C | S | . | . | trans | -145.7 | 161.4 | -179.7 | 73.2 | 180 | 24 | 0 | 0 | 108.7 | F124 N156 V158 I267 | Q119-F124 HydrophobicContact CB-CE1 4.03Å; Q119-F124 HydrophobicContact CB-CZ 4.3Å; Q119-F124 HydrophobicContact CG-CE1 4.5Å; Q119-N156 PolarHBondContact NE2-O 3.5Å; Q119-N156 VanDerWaalsContact NE2-O 3.15Å; Q119-N156 PolarHBondContact NE2-OD1 2.88Å; Q119-V158 HydrophobicContact CB-CG2 4.22Å; Q119-V158 VanDerWaalsContact OE1-CG2 3.31Å; Q119-I267 WeakPolarHBondContact CA-O 3.38Å | ||
| 120 | G | 82.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -70.6 | 159.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T122 D270 | G120-T122 VanDerWaalsContact C-N 3.31Å; G120-T122 PolarHBondContact O-N 3.1Å; G120-D270 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 121 | Q | 80.6 | Confident | 85.2 | Confident | 76 Ų | 76 | 43.6 Ų | 43.6 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -65.3 | -28.8 | -175.5 | -64.4 | -176.6 | 34.2 | 0 | 0 | 113.9 | L235 D270 D272 | Q121-L235 HydrophobicContact CB-CD1 3.88Å; Q121-L235 HydrophobicContact CG-CB 4.35Å; Q121-L235 WeakPolarHBondContact O-CD1 3.47Å; Q121-D270 PolarHBondContact N-OD2 3.32Å; Q121-D272 PolarHBondContact NE2-OD2 3.46Å |
| 122 | T | 80.1 | Confident | 85 | Confident | 65 Ų | 65 | 45.6 Ų | 45.6 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -84.5 | 138.7 | 179.1 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | G120 R297 | G120-T122 VanDerWaalsContact C-N 3.31Å; G120-T122 PolarHBondContact O-N 3.1Å; T122-R297 VanDerWaalsContact OG1-CZ 3.28Å; T122-R297 PolarHBondContact OG1-NH1 2.86Å; T122-R297 PolarHBondContact OG1-NH2 2.87Å |
| 123 | D | 81 | Confident | 85.1 | Confident | 60 Ų | 60 | 51 Ų | 51 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | trans | -59.3 | 149.1 | 171.8 | -163.4 | 18.7 | 0 | 0 | 0 | 112.7 | N156 G157 R160 | D123-N156 HydrophobicContact CB-CB 4.4Å; D123-G157 PolarHBondContact OD1-N 3.23Å; D123-R160 IonicContact OD1-CZ 2.67Å; D123-R160 IonicContact OD1-NH1 3.17Å; D123-R160 PolarHBondContact OD1-NH1 3.28Å; D123-R160 IonicContact OD1-NH2 3.79Å; D123-R160 IonicContact OD2-CZ 2.82Å; D123-R160 IonicContact OD2-NH1 3.66Å; D123-R160 PolarHBondContact OD2-NH1 3.45Å; D123-R160 IonicContact OD2-NH2 2.71Å; D123-R160 PolarHBondContact OD2-NH2 3.26Å | ||
| 124 | F | 86.3 | Confident | 85 | Confident | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | trans | -155 | 160.2 | -176.5 | 66.3 | -85.8 | 0 | 0 | 0 | 112.9 | Q119 L126 V158 N268 | Q119-F124 HydrophobicContact CB-CE1 4.03Å; Q119-F124 HydrophobicContact CB-CZ 4.3Å; Q119-F124 HydrophobicContact CG-CE1 4.5Å; F124-L126 HydrophobicContact CE2-CD1 4.28Å; F124-V158 HydrophobicContact CE2-CG2 4.44Å; F124-V158 HydrophobicContact CZ-CG2 3.7Å; F124-N268 HydrophobicContact CD1-CB 4.17Å; F124-N268 HydrophobicContact CD2-CB 3.87Å; F124-N268 HydrophobicContact CE1-CB 3.78Å; F124-N268 HydrophobicContact CE2-CB 3.44Å; F124-N268 VanDerWaalsContact CE2-CB 3.44Å; F124-N268 HydrophobicContact CG-CB 4.21Å; F124-N268 HydrophobicContact CZ-CB 3.37Å | ||
| 125 | F | 83.6 | Confident | 84.4 | Confident | 171 Ų | 171 | 52.3 Ų | 52.3 | 75% | 0.75 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 131.3 | 176.7 | -70.2 | -90 | 0 | 0 | 0 | 111.5 | Y161 | F125-Y161 WeakPolarHBondContact CA-OH 3.45Å; F125-Y161 VanDerWaalsContact CD1-OH 3.28Å; F125-Y161 WeakPolarHBondContact CD1-OH 3.32Å |
| 126 | L | 84.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -103 | 134.6 | 178.9 | -168.1 | 73.7 | 0 | 0 | 0 | 109.5 | F124 S128 L130 A131 I134 Y161 I267 | F124-L126 HydrophobicContact CE2-CD1 4.28Å; L126-S128 PolarHBondContact O-N 3.37Å; L126-L130 HydrophobicContact CD1-CD2 3.94Å; L126-L130 HydrophobicContact CD1-CG 4.41Å; L126-L130 HydrophobicContact CG-CD2 4.49Å; L126-A131 HydrophobicContact CD2-CB 3.98Å; L126-I134 HydrophobicContact CD2-CD1 3.99Å; L126-Y161 HydrophobicContact CB-CD2 3.81Å; L126-Y161 HydrophobicContact CB-CE1 4.38Å; L126-Y161 HydrophobicContact CB-CE2 3.68Å; L126-Y161 HydrophobicContact CB-CG 4.27Å; L126-Y161 HydrophobicContact CD2-CD2 4.43Å; L126-Y161 PolarHBondContact N-OH 3.38Å; L126-I267 HydrophobicContact CD1-CG2 3.95Å |
| 127 | P | 86.3 | Confident | 83.1 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 131.2 | 178.1 | -26.8 | 35.3 | 0 | 0 | 0 | 112 | K129 L130 A131 | P127-K129 VanDerWaalsContact C-N 3.31Å; P127-K129 PolarHBondContact O-N 3.24Å; P127-L130 HydrophobicContact CB-CB 4.32Å; P127-L130 WeakPolarHBondContact O-CA 3.19Å; P127-L130 WeakPolarHBondContact O-CB 3.43Å; P127-L130 PolarHBondContact O-N 2.98Å; P127-A131 PolarHBondContact O-N 3.04Å |
| 128 | S | 82.6 | Confident | 82.4 | Confident | 91 Ų | 91 | 59.1 Ų | 59.1 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -55.4 | -40.6 | -171.8 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | L126 L130 A131 T132 | L126-S128 PolarHBondContact O-N 3.37Å; S128-L130 VanDerWaalsContact C-N 3.28Å; S128-L130 PolarHBondContact O-N 3.46Å; S128-A131 PolarHBondContact O-N 3.39Å; S128-T132 PolarHBondContact O-N 2.94Å; S128-T132 PolarHBondContact O-OG1 3.35Å; S128-T132 VanDerWaalsContact O-OG1 3.12Å |
| 129 | K | 84.9 | Confident | 81.6 | Confident | 178 Ų | 178 | 59.1 Ų | 59.1 | 77% | 0.774 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.5 | -34.8 | 174.4 | -67.6 | -178.1 | 179.7 | 176.9 | 0 | 112.9 | P127 K133 | P127-K129 VanDerWaalsContact C-N 3.31Å; P127-K129 PolarHBondContact O-N 3.24Å; K129-K133 WeakPolarHBondContact O-CG 3.36Å; K129-K133 PolarHBondContact O-N 3.32Å |
| 130 | L | 84.8 | Confident | 80.8 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.2 | -43.4 | 177.8 | -174.6 | 56.7 | 0 | 0 | 0 | 110.7 | L126 P127 S128 T132 K133 I134 G294 | L126-L130 HydrophobicContact CD1-CD2 3.94Å; L126-L130 HydrophobicContact CD1-CG 4.41Å; L126-L130 HydrophobicContact CG-CD2 4.49Å; P127-L130 HydrophobicContact CB-CB 4.32Å; P127-L130 WeakPolarHBondContact O-CA 3.19Å; P127-L130 WeakPolarHBondContact O-CB 3.43Å; P127-L130 PolarHBondContact O-N 2.98Å; S128-L130 VanDerWaalsContact C-N 3.28Å; S128-L130 PolarHBondContact O-N 3.46Å; L130-T132 PolarHBondContact O-N 3.14Å; L130-K133 WeakPolarHBondContact O-CB 3.29Å; L130-K133 PolarHBondContact O-N 3.39Å; L130-K133 VanDerWaalsContact O-N 3.11Å; L130-I134 HydrophobicContact CD1-CD1 4.33Å; L130-I134 HydrophobicContact CD1-CG1 4.31Å; L130-I134 HydrophobicContact CG-CD1 4.12Å; L130-I134 HydrophobicContact CG-CG1 4.49Å; L130-I134 WeakPolarHBondContact O-CG1 3.34Å; L130-I134 PolarHBondContact O-N 3.34Å; L130-G294 WeakPolarHBondContact CD2-O 3.33Å |
| 131 | A | 82.4 | Confident | 80.4 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -52.3 | -50.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L126 P127 S128 K133 I134 R135 Y161 | L126-A131 HydrophobicContact CD2-CB 3.98Å; P127-A131 PolarHBondContact O-N 3.04Å; S128-A131 PolarHBondContact O-N 3.39Å; A131-K133 VanDerWaalsContact C-N 3.35Å; A131-K133 PolarHBondContact O-N 2.96Å; A131-I134 PolarHBondContact O-N 3.18Å; A131-R135 VanDerWaalsContact O-CB 3.3Å; A131-R135 WeakPolarHBondContact O-CB 3.36Å; A131-R135 PolarHBondContact O-N 3.06Å; A131-Y161 HydrophobicContact CB-CD1 3.79Å; A131-Y161 HydrophobicContact CB-CG 4.08Å |
| 132 | T | 80.4 | Confident | 80 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 178.2 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | S128 L130 K136 | S128-T132 PolarHBondContact O-N 2.94Å; S128-T132 PolarHBondContact O-OG1 3.35Å; S128-T132 VanDerWaalsContact O-OG1 3.12Å; L130-T132 PolarHBondContact O-N 3.14Å; T132-K136 HydrophobicContact CG2-CD 4.09Å; T132-K136 WeakPolarHBondContact O-CB 3.44Å; T132-K136 WeakPolarHBondContact O-CG 3.31Å; T132-K136 PolarHBondContact O-N 3Å |
| 133 | K | 82.3 | Confident | 79.4 | Confident | 160 Ų | 160 | 64.6 Ų | 64.6 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.6 | -50.5 | 173.7 | -83.3 | -176.9 | 175.9 | -174.9 | 0 | 111.6 | K129 L130 A131 K136 G137 | K129-K133 WeakPolarHBondContact O-CG 3.36Å; K129-K133 PolarHBondContact O-N 3.32Å; L130-K133 WeakPolarHBondContact O-CB 3.29Å; L130-K133 PolarHBondContact O-N 3.39Å; L130-K133 VanDerWaalsContact O-N 3.11Å; A131-K133 VanDerWaalsContact C-N 3.35Å; A131-K133 PolarHBondContact O-N 2.96Å; K133-K136 PolarHBondContact O-N 3.45Å; K133-G137 PolarHBondContact O-N 2.99Å |
| 134 | I | 82.2 | Confident | 79.1 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 179.3 | -63.8 | 176.9 | 0 | 0 | 0 | 109.8 | L126 L130 A131 K136 G137 L138 L162 I267 C292 | L126-I134 HydrophobicContact CD2-CD1 3.99Å; L130-I134 HydrophobicContact CD1-CD1 4.33Å; L130-I134 HydrophobicContact CD1-CG1 4.31Å; L130-I134 HydrophobicContact CG-CD1 4.12Å; L130-I134 HydrophobicContact CG-CG1 4.49Å; L130-I134 WeakPolarHBondContact O-CG1 3.34Å; L130-I134 PolarHBondContact O-N 3.34Å; A131-I134 PolarHBondContact O-N 3.18Å; I134-K136 PolarHBondContact O-N 3.46Å; I134-G137 PolarHBondContact O-N 2.96Å; I134-L138 WeakPolarHBondContact O-CB 3.28Å; I134-L138 PolarHBondContact O-N 2.86Å; I134-L162 HydrophobicContact CG2-CD2 4.3Å; I134-I267 HydrophobicContact CD1-CD1 3.9Å; I134-I267 HydrophobicContact CD1-CG1 4.33Å; I134-I267 HydrophobicContact CD1-CG2 4.38Å; I134-I267 HydrophobicContact CG2-CD1 4.4Å; I134-C292 VanDerWaalsContact CD1-SG 3.58Å |
| 135 | R | 76.4 | Confident | 78.4 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.9 | -50.3 | 178.2 | -159.4 | -157.9 | -57.9 | 145.2 | -5.8 | 111.6 | A131 A139 S164 F165 E168 | A131-R135 VanDerWaalsContact O-CB 3.3Å; A131-R135 WeakPolarHBondContact O-CB 3.36Å; A131-R135 PolarHBondContact O-N 3.06Å; R135-A139 WeakPolarHBondContact O-CB 3.46Å; R135-A139 PolarHBondContact O-N 3.05Å; R135-A139 VanDerWaalsContact O-N 3.16Å; R135-S164 PolarHBondContact NE-OG 3.19Å; R135-S164 PolarHBondContact NH2-OG 3.23Å; R135-F165 HydrophobicContact CG-CD1 3.91Å; R135-F165 HydrophobicContact CG-CE1 3.45Å; R135-F165 VanDerWaalsContact CG-CE1 3.45Å; R135-F165 HydrophobicContact CG-CE2 4.27Å; R135-F165 HydrophobicContact CG-CG 4.5Å; R135-F165 HydrophobicContact CG-CZ 3.64Å; R135-E168 IonicContact CZ-OE1 2.85Å; R135-E168 IonicContact NH1-OE1 3.82Å; R135-E168 PolarHBondContact NH1-OE1 2.79Å |
| 136 | K | 76.8 | Confident | 78.2 | Confident | 113 Ų | 113 | 62.3 Ų | 62.3 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -74.3 | -28.6 | -178.7 | -67.1 | -173.8 | -179.8 | -169.5 | 0 | 113.5 | T132 K133 I134 K140 E168 | T132-K136 HydrophobicContact CG2-CD 4.09Å; T132-K136 WeakPolarHBondContact O-CB 3.44Å; T132-K136 WeakPolarHBondContact O-CG 3.31Å; T132-K136 PolarHBondContact O-N 3Å; K133-K136 PolarHBondContact O-N 3.45Å; I134-K136 PolarHBondContact O-N 3.46Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.48Å; K136-E168 WeakPolarHBondContact CE-OE2 3.32Å; K136-E168 IonicContact NZ-OE1 3.84Å; K136-E168 IonicContact NZ-OE2 2.7Å; K136-E168 PolarHBondContact NZ-OE2 2.95Å |
| 137 | G | 77.4 | Confident | 78.2 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 38% | 0.381 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69 | -55.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K133 I134 A139 K140 V141 | K133-G137 PolarHBondContact O-N 2.99Å; I134-G137 PolarHBondContact O-N 2.96Å; G137-A139 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 3.13Å; G137-K140 PolarHBondContact O-N 3.08Å; G137-V141 WeakPolarHBondContact O-CG2 3.43Å; G137-V141 PolarHBondContact O-N 2.8Å |
| 138 | L | 76.8 | Confident | 78.3 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -46.8 | 179.8 | -170.4 | 76.2 | 0 | 0 | 0 | 111.1 | I115 I117 I134 V141 S142 V149 L162 | I115-L138 HydrophobicContact CD1-CD1 3.92Å; I115-L138 HydrophobicContact CG2-CD1 4.35Å; I117-L138 HydrophobicContact CD1-CD1 4.18Å; I117-L138 HydrophobicContact CD1-CD2 4.25Å; I134-L138 WeakPolarHBondContact O-CB 3.28Å; I134-L138 PolarHBondContact O-N 2.86Å; L138-V141 PolarHBondContact O-N 3.27Å; L138-S142 PolarHBondContact O-N 3.48Å; L138-S142 PolarHBondContact O-OG 3.35Å; L138-V149 HydrophobicContact CD1-CG1 4.12Å; L138-V149 HydrophobicContact CD1-CG2 4.03Å; L138-V149 HydrophobicContact CD2-CG1 4.25Å; L138-V149 HydrophobicContact CG-CG2 4.44Å; L138-L162 HydrophobicContact CD2-CD1 4.19Å; L138-L162 HydrophobicContact CD2-CD2 3.71Å |
| 139 | A | 72.8 | Confident | 78.7 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -48.2 | -62.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R135 G137 V141 S142 M143 F165 Y174 | R135-A139 WeakPolarHBondContact O-CB 3.46Å; R135-A139 PolarHBondContact O-N 3.05Å; R135-A139 VanDerWaalsContact O-N 3.16Å; G137-A139 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 3.13Å; A139-V141 PolarHBondContact O-N 3.39Å; A139-S142 PolarHBondContact O-N 2.91Å; A139-S142 VanDerWaalsContact O-N 3.09Å; A139-M143 PolarHBondContact O-N 3.43Å; A139-M143 VanDerWaalsContact O-N 3.07Å; A139-F165 HydrophobicContact CB-CE1 3.97Å; A139-F165 HydrophobicContact CB-CZ 4.33Å; A139-Y174 VanDerWaalsContact CA-OH 3.25Å; A139-Y174 WeakPolarHBondContact CA-OH 3.24Å; A139-Y174 HydrophobicContact CB-CE1 4.13Å; A139-Y174 VanDerWaalsContact CB-OH 3.24Å; A139-Y174 WeakPolarHBondContact CB-OH 3.44Å; A139-Y174 PolarHBondContact O-OH 3.24Å |
| 140 | K | 73 | Confident | 79.1 | Confident | 150 Ų | 150 | 45.9 Ų | 45.9 | 65% | 0.652 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -57.3 | -37.8 | -176.4 | -170.8 | 172.3 | -177.5 | 177.5 | 0 | 112.5 | K136 G137 C144 | K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.48Å; G137-K140 PolarHBondContact O-N 3.08Å; K140-C144 WeakPolarHBondContact O-CB 3.28Å; K140-C144 PolarHBondContact O-N 2.99Å; K140-C144 VanDerWaalsContact O-N 3.12Å; K140-C144 PolarHBondContact O-SG 3.24Å |
| 141 | V | 73.2 | Confident | 79.4 | Confident | 54 Ų | 54 | 44.6 Ų | 44.6 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.3 | -46.1 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | L113 I115 G137 L138 A139 M143 C144 T145 | L113-V141 HydrophobicContact CD2-CG1 3.36Å; I115-V141 HydrophobicContact CD1-CG1 3.83Å; G137-V141 WeakPolarHBondContact O-CG2 3.43Å; G137-V141 PolarHBondContact O-N 2.8Å; L138-V141 PolarHBondContact O-N 3.27Å; A139-V141 PolarHBondContact O-N 3.39Å; V141-M143 PolarHBondContact O-N 2.94Å; V141-C144 PolarHBondContact O-N 3.43Å; V141-T145 PolarHBondContact O-N 3.09Å; V141-T145 PolarHBondContact O-OG1 3.23Å |
| 142 | S | 71.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 178.3 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | L138 A139 C144 N146 L178 | L138-S142 PolarHBondContact O-N 3.48Å; L138-S142 PolarHBondContact O-OG 3.35Å; A139-S142 PolarHBondContact O-N 2.91Å; A139-S142 VanDerWaalsContact O-N 3.09Å; S142-C144 PolarHBondContact O-N 3.49Å; S142-N146 WeakPolarHBondContact O-CA 3.35Å; S142-N146 PolarHBondContact O-N 2.93Å; S142-L178 WeakPolarHBondContact OG-CD1 3.01Å |
| 143 | M | 68.3 | Low | 80.2 | Confident | 83 Ų | 83 | 42.7 Ų | 42.7 | 41% | 0.409 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 173.4 | -92.8 | -177.6 | 162.4 | 0 | 0 | 113 | A139 V141 Y174 | A139-M143 PolarHBondContact O-N 3.43Å; A139-M143 VanDerWaalsContact O-N 3.07Å; V141-M143 PolarHBondContact O-N 2.94Å; M143-Y174 HydrophobicContact CE-CD2 3.53Å; M143-Y174 HydrophobicContact CE-CE2 3.27Å; M143-Y174 HydrophobicContact CE-CG 4.21Å; M143-Y174 HydrophobicContact CG-CE1 4.45Å; M143-Y174 HydrophobicContact CG-CE2 4.27Å; M143-Y174 VanDerWaalsContact CG-OH 3.31Å; M143-Y174 WeakPolarHBondContact CG-OH 3.44Å; M143-Y174 HydrophobicContact SD-CD2 4.34Å; M143-Y174 HydrophobicContact SD-CE2 3.47Å; M143-Y174 WeakPolarHBondContact SD-CE2 3.21Å; M143-Y174 PolarHBondContact SD-OH 3.48Å |
| 144 | C | 73.7 | Confident | 80.5 | Confident | 97 Ų | 97 | 35.2 Ų | 35.2 | 66% | 0.655 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -77.6 | -23.1 | -175.9 | -69.1 | 0 | 0 | 0 | 0 | 114.4 | K140 V141 S142 | K140-C144 WeakPolarHBondContact O-CB 3.28Å; K140-C144 PolarHBondContact O-N 2.99Å; K140-C144 VanDerWaalsContact O-N 3.12Å; K140-C144 PolarHBondContact O-SG 3.24Å; V141-C144 PolarHBondContact O-N 3.43Å; S142-C144 PolarHBondContact O-N 3.49Å |
| 145 | T | 72.5 | Confident | 80.8 | Confident | 53 Ų | 53 | 35 Ų | 35 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -129.8 | 0.6 | -167.5 | 62.5 | 0 | 0 | 0 | 0 | 115.6 | G112 V141 A147 | G112-T145 WeakPolarHBondContact CA-O 3.19Å; G112-T145 PolarHBondContact N-O 3.42Å; V141-T145 PolarHBondContact O-N 3.09Å; V141-T145 PolarHBondContact O-OG1 3.23Å; T145-A147 VanDerWaalsContact C-N 3.33Å; T145-A147 PolarHBondContact O-N 2.92Å |
| 146 | N | 79.3 | Confident | 81.2 | Confident | 47 Ų | 47 | 33.9 Ų | 33.9 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 54.7 | -169.8 | -170 | 68.2 | 0 | 0 | 0 | 110.7 | P110 P111 G112 S142 | P110-N146 PolarHBondContact O-ND2 2.92Å; P111-N146 WeakPolarHBondContact CA-O 3.2Å; G112-N146 PolarHBondContact N-O 2.85Å; S142-N146 WeakPolarHBondContact O-CA 3.35Å; S142-N146 PolarHBondContact O-N 2.93Å |
| 147 | A | 83.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L113 I115 T145 | L113-A147 HydrophobicContact CB-CB 4.14Å; L113-A147 HydrophobicContact CD2-CB 4.27Å; L113-A147 HydrophobicContact CG-CB 4.35Å; L113-A147 VanDerWaalsContact O-CA 3.24Å; L113-A147 WeakPolarHBondContact O-CA 3.26Å; I115-A147 HydrophobicContact CD1-CB 4.18Å; I115-A147 HydrophobicContact CG1-CB 4.45Å; T145-A147 VanDerWaalsContact C-N 3.33Å; T145-A147 PolarHBondContact O-N 2.92Å |
| 148 | W | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.5 | 163.4 | -72.1 | 7.5 | 0 | 0 | 0 | 108.9 | L99 M102 V108 K109 P111 L113 I115 F150 T179 I181 L249 F253 | L99-W148 HydrophobicContact CD1-CH2 4.45Å; M102-W148 HydrophobicContact CB-CH2 4.41Å; M102-W148 HydrophobicContact CE-CD2 4.05Å; M102-W148 HydrophobicContact CE-CE3 3.7Å; M102-W148 HydrophobicContact CE-CH2 3.52Å; M102-W148 HydrophobicContact CE-CZ2 3.88Å; M102-W148 HydrophobicContact CE-CZ3 3.43Å; M102-W148 VanDerWaalsContact CE-CZ3 3.43Å; M102-W148 HydrophobicContact SD-CH2 4.14Å; M102-W148 HydrophobicContact SD-CZ3 3.88Å; V108-W148 HydrophobicContact CB-CZ2 4.11Å; V108-W148 HydrophobicContact CG1-CZ2 3.65Å; K109-W148 PolarHBondContact O-NE1 3.47Å; P111-W148 HydrophobicContact CB-CB 4.11Å; P111-W148 HydrophobicContact CB-CD2 3.95Å; P111-W148 HydrophobicContact CB-CG 3.66Å; P111-W148 HydrophobicContact CG-CD2 3.7Å; P111-W148 HydrophobicContact CG-CE3 3.97Å; P111-W148 HydrophobicContact CG-CG 3.97Å; P111-W148 HydrophobicContact CG-CZ2 4.44Å; P111-W148 HydrophobicContact CG-CZ3 4.45Å; L113-W148 PolarHBondContact O-N 3.43Å; I115-W148 PolarHBondContact N-O 3.21Å; W148-F150 HydrophobicContact CB-CE2 4.37Å; W148-F150 HydrophobicContact CE3-CE2 4.35Å; W148-F150 HydrophobicContact CE3-CZ 4.29Å; W148-T179 HydrophobicContact CG-CG2 4.09Å; W148-I181 HydrophobicContact CB-CD1 4.09Å; W148-I181 HydrophobicContact CD2-CD1 4.22Å; W148-I181 HydrophobicContact CE3-CD1 4.23Å; W148-I181 HydrophobicContact CG-CD1 4.2Å; W148-L249 HydrophobicContact CZ3-CD2 4.32Å; W148-F253 HydrophobicContact CH2-CE2 4.26Å |
| 149 | V | 90.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 114.5 | -179.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | I115 I117 L138 T151 T179 L180 I181 | I115-V149 HydrophobicContact CB-CG2 4.42Å; I115-V149 HydrophobicContact CD1-CG2 4.43Å; I115-V149 CarbonylContact O-C 3.46Å; I115-V149 WeakPolarHBondContact O-CA 3.43Å; I117-V149 HydrophobicContact CD1-CG1 3.72Å; I117-V149 HydrophobicContact CG1-CG1 4.17Å; L138-V149 HydrophobicContact CD1-CG1 4.12Å; L138-V149 HydrophobicContact CD1-CG2 4.03Å; L138-V149 HydrophobicContact CD2-CG1 4.25Å; L138-V149 HydrophobicContact CG-CG2 4.44Å; V149-T151 HydrophobicContact CG1-CG2 4.17Å; V149-T179 PolarHBondContact N-O 2.72Å; V149-L180 HydrophobicContact CB-CD2 3.86Å; V149-L180 HydrophobicContact CG1-CD2 3.8Å; V149-I181 PolarHBondContact O-N 2.87Å |
| 150 | F | 92.5 | Very high | 82.9 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.9 | 174.7 | -70.1 | -87.7 | 0 | 0 | 0 | 111.1 | V114 I115 I117 W148 I181 V183 R242 F245 L249 | V114-F150 HydrophobicContact CG1-CD2 3.72Å; V114-F150 HydrophobicContact CG1-CE2 3.6Å; I115-F150 PolarHBondContact O-N 3.37Å; I117-F150 PolarHBondContact N-O 3.33Å; W148-F150 HydrophobicContact CB-CE2 4.37Å; W148-F150 HydrophobicContact CE3-CE2 4.35Å; W148-F150 HydrophobicContact CE3-CZ 4.29Å; F150-I181 WeakPolarHBondContact CA-O 3.12Å; F150-I181 HydrophobicContact CD1-CB 3.91Å; F150-I181 HydrophobicContact CD1-CD1 4.25Å; F150-I181 HydrophobicContact CD1-CG2 3.82Å; F150-I181 HydrophobicContact CE1-CB 3.98Å; F150-I181 HydrophobicContact CE1-CD1 3.7Å; F150-I181 HydrophobicContact CE1-CG1 4.45Å; F150-I181 HydrophobicContact CE1-CG2 3.65Å; F150-I181 HydrophobicContact CE2-CD1 3.98Å; F150-I181 HydrophobicContact CZ-CD1 3.53Å; F150-V183 HydrophobicContact CD1-CG2 3.95Å; F150-R242 PolarHBondContact O-NH2 3.22Å; F150-F245 AromaticContact CE1-CD1 4Å; F150-F245 HydrophobicContact CE1-CD1 4Å; F150-F245 AromaticContact CE1-CE1 3.72Å; F150-F245 HydrophobicContact CE1-CE1 3.72Å; F150-F245 HydrophobicContact CZ-CD1 4.12Å; F150-F245 AromaticContact CZ-CE1 3.63Å; F150-F245 HydrophobicContact CZ-CE1 3.63Å; F150-L249 HydrophobicContact CE2-CD1 4.08Å; F150-L249 HydrophobicContact CZ-CD1 4.05Å |
| 151 | T | 91.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | -179.2 | 173.4 | 90.6 | 0 | 0 | 0 | 0 | 110.6 | I117 V149 G153 V159 L162 L180 I181 V183 H221 | I117-T151 HydrophobicContact CB-CG2 4.47Å; I117-T151 HydrophobicContact CD1-CG2 4.34Å; V149-T151 HydrophobicContact CG1-CG2 4.17Å; T151-G153 PolarHBondContact O-N 3.04Å; T151-G153 PolarHBondContact OG1-N 2.79Å; T151-V159 HydrophobicContact CG2-CG2 4.4Å; T151-V159 WeakPolarHBondContact OG1-CG2 3.45Å; T151-L162 HydrophobicContact CG2-CD1 4.48Å; T151-L180 HydrophobicContact CG2-CD2 3.92Å; T151-I181 PolarHBondContact N-O 3.16Å; T151-V183 PolarHBondContact O-N 2.89Å; T151-H221 PolarHBondContact OG1-CE1 3.41Å; T151-H221 VanDerWaalsContact OG1-CE1 3.25Å; T151-H221 PolarHBondContact OG1-NE2 3.46Å |
| 152 | S | 89.5 | Confident | 83 | Confident | 16 Ų | 16 | 22.1 Ų | 22.1 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | trans | -66.1 | -17.5 | 170.4 | 57.3 | 0 | 0 | 0 | 0 | 114 | L154 V183 A184 | S152-L154 PolarHBondContact O-N 2.79Å; S152-V183 CarbonylContact C-O 3.35Å; S152-V183 WeakPolarHBondContact CA-O 3.47Å; S152-V183 CarbonylContact O-C 3.54Å; S152-V183 VanDerWaalsContact O-O 3.09Å; S152-A184 WeakPolarHBondContact O-CA 3.37Å; S152-A184 VanDerWaalsContact O-CB 3.29Å; S152-A184 WeakPolarHBondContact O-CB 3.1Å | ||
| 153 | G | 89.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | 66.1 | -7.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T151 N218 | T151-G153 PolarHBondContact O-N 3.04Å; T151-G153 PolarHBondContact OG1-N 2.79Å; G153-N218 WeakPolarHBondContact O-CB 3.39Å; G153-N218 PolarHBondContact O-N 3.28Å | ||
| 154 | L | 89.5 | Confident | 82 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -85.1 | 146.2 | 179.2 | -61.7 | 179.7 | 0 | 0 | 0 | 110.7 | S152 N156 V159 A184 V188 I189 Y215 R216 L217 L235 | S152-L154 PolarHBondContact O-N 2.79Å; L154-N156 PolarHBondContact O-N 2.84Å; L154-N156 PolarHBondContact O-OD1 3.45Å; L154-V159 VanDerWaalsContact O-CB 3.23Å; L154-V159 WeakPolarHBondContact O-CB 3.4Å; L154-V159 WeakPolarHBondContact O-CG1 3.33Å; L154-A184 HydrophobicContact CD2-CB 4.04Å; L154-A184 HydrophobicContact CG-CB 4.32Å; L154-V188 HydrophobicContact CD1-CG2 4.03Å; L154-V188 HydrophobicContact CD2-CG2 4.49Å; L154-I189 HydrophobicContact CD2-CG1 4.44Å; L154-Y215 HydrophobicContact CD1-CD2 4.33Å; L154-Y215 HydrophobicContact CD1-CG 4.08Å; L154-R216 CarbonylContact C-O 3.56Å; L154-R216 WeakPolarHBondContact CA-O 3.09Å; L154-L217 HydrophobicContact CD2-CD2 4.35Å; L154-L235 HydrophobicContact CD1-CD2 4.16Å |
| 155 | D | 87.1 | Confident | 81.1 | Confident | 24 Ų | 24 | 16.3 Ų | 16.3 | 13% | 0.128 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -79.1 | 52.9 | -179.3 | -162 | 48.9 | 0 | 0 | 0 | 113 | R160 R216 N218 | D155-R160 VanDerWaalsContact O-CZ 3.3Å; D155-R160 PolarHBondContact O-NE 3.35Å; D155-R160 VanDerWaalsContact O-NE 3.09Å; D155-R160 PolarHBondContact O-NH2 3.42Å; D155-R216 HydrophobicContact CB-CB 4.45Å; D155-R216 PolarHBondContact N-O 3.46Å; D155-N218 HydrophobicContact CB-CB 4.28Å; D155-N218 PolarHBondContact OD1-ND2 2.89Å |
| 156 | N | 85.8 | Confident | 80.1 | Confident | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -134.5 | 158.4 | -178.1 | 67.7 | -1.3 | 0 | 0 | 0 | 112.7 | Q119 D123 L154 V158 V159 Y215 | Q119-N156 PolarHBondContact NE2-O 3.5Å; Q119-N156 VanDerWaalsContact NE2-O 3.15Å; Q119-N156 PolarHBondContact NE2-OD1 2.88Å; D123-N156 HydrophobicContact CB-CB 4.4Å; L154-N156 PolarHBondContact O-N 2.84Å; L154-N156 PolarHBondContact O-OD1 3.45Å; N156-V158 PolarHBondContact O-N 2.89Å; N156-V159 PolarHBondContact O-N 2.77Å; N156-Y215 HydrophobicContact CB-CD1 3.97Å; N156-Y215 HydrophobicContact CB-CE1 3.94Å; N156-Y215 WeakPolarHBondContact ND2-CD1 3.35Å; N156-Y215 VanDerWaalsContact ND2-CE1 3.26Å; N156-Y215 WeakPolarHBondContact ND2-CE1 3.42Å |
| 157 | G | 84.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -131 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D123 V159 R160 Y161 | D123-G157 PolarHBondContact OD1-N 3.23Å; G157-V159 VanDerWaalsContact C-N 3.27Å; G157-V159 PolarHBondContact O-N 2.99Å; G157-R160 PolarHBondContact O-N 3.39Å; G157-Y161 WeakPolarHBondContact O-CD2 3.44Å; G157-Y161 VanDerWaalsContact O-CE2 3.3Å; G157-Y161 WeakPolarHBondContact O-CE2 3.46Å |
| 158 | V | 84.3 | Confident | 77.1 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.1 | -39.2 | 179.7 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | Q119 F124 N156 R160 Y161 L162 I267 | Q119-V158 HydrophobicContact CB-CG2 4.22Å; Q119-V158 VanDerWaalsContact OE1-CG2 3.31Å; F124-V158 HydrophobicContact CE2-CG2 4.44Å; F124-V158 HydrophobicContact CZ-CG2 3.7Å; N156-V158 PolarHBondContact O-N 2.89Å; V158-R160 PolarHBondContact O-N 3.49Å; V158-Y161 WeakPolarHBondContact O-CA 3.29Å; V158-Y161 WeakPolarHBondContact O-CB 3.36Å; V158-Y161 PolarHBondContact O-N 3.03Å; V158-L162 HydrophobicContact CG1-CD1 4.09Å; V158-L162 HydrophobicContact CG1-CG 4.1Å; V158-L162 PolarHBondContact O-N 2.68Å; V158-I267 HydrophobicContact CB-CD1 4.45Å; V158-I267 HydrophobicContact CG1-CD1 3.7Å; V158-I267 HydrophobicContact CG2-CB 3.64Å; V158-I267 HydrophobicContact CG2-CD1 3.88Å; V158-I267 HydrophobicContact CG2-CG1 4.37Å; V158-I267 HydrophobicContact CG2-CG2 3.51Å |
| 159 | V | 87 | Confident | 74.8 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -32.8 | -170.3 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | T151 L154 N156 G157 Y161 L162 S163 N218 | T151-V159 HydrophobicContact CG2-CG2 4.4Å; T151-V159 WeakPolarHBondContact OG1-CG2 3.45Å; L154-V159 VanDerWaalsContact O-CB 3.23Å; L154-V159 WeakPolarHBondContact O-CB 3.4Å; L154-V159 WeakPolarHBondContact O-CG1 3.33Å; N156-V159 PolarHBondContact O-N 2.77Å; G157-V159 VanDerWaalsContact C-N 3.27Å; G157-V159 PolarHBondContact O-N 2.99Å; V159-Y161 VanDerWaalsContact C-N 3.32Å; V159-Y161 PolarHBondContact O-N 3.3Å; V159-L162 PolarHBondContact O-N 3.03Å; V159-S163 PolarHBondContact O-N 2.85Å; V159-S163 PolarHBondContact O-OG 2.94Å; V159-N218 HydrophobicContact CG1-CB 3.59Å; V159-N218 PolarHBondContact O-ND2 2.91Å |
| 160 | R | 83.6 | Confident | 72.8 | Confident | 82 Ų | 82 | 33.6 Ų | 33.6 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.4 | -28.4 | 172.3 | -166.4 | -175.8 | -62.6 | 142.3 | -1.3 | 113.8 | D123 D155 G157 V158 S163 | D123-R160 IonicContact OD1-CZ 2.67Å; D123-R160 IonicContact OD1-NH1 3.17Å; D123-R160 PolarHBondContact OD1-NH1 3.28Å; D123-R160 IonicContact OD1-NH2 3.79Å; D123-R160 IonicContact OD2-CZ 2.82Å; D123-R160 IonicContact OD2-NH1 3.66Å; D123-R160 PolarHBondContact OD2-NH1 3.45Å; D123-R160 IonicContact OD2-NH2 2.71Å; D123-R160 PolarHBondContact OD2-NH2 3.26Å; D155-R160 VanDerWaalsContact O-CZ 3.3Å; D155-R160 PolarHBondContact O-NE 3.35Å; D155-R160 VanDerWaalsContact O-NE 3.09Å; D155-R160 PolarHBondContact O-NH2 3.42Å; G157-R160 PolarHBondContact O-N 3.39Å; V158-R160 PolarHBondContact O-N 3.49Å; R160-S163 WeakPolarHBondContact CA-OG 3.42Å; R160-S163 PolarHBondContact O-OG 2.89Å; R160-S163 VanDerWaalsContact O-OG 3.07Å |
| 161 | Y | 78.2 | Confident | 70.7 | Confident | 43 Ų | 43 | 35 Ų | 35 | 17% | 0.169 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.7 | -31.6 | 173.8 | -60.7 | -80.8 | 0 | 0 | 0 | 111.7 | F125 L126 A131 G157 V158 V159 S163 S164 | F125-Y161 WeakPolarHBondContact CA-OH 3.45Å; F125-Y161 VanDerWaalsContact CD1-OH 3.28Å; F125-Y161 WeakPolarHBondContact CD1-OH 3.32Å; L126-Y161 HydrophobicContact CB-CD2 3.81Å; L126-Y161 HydrophobicContact CB-CE1 4.38Å; L126-Y161 HydrophobicContact CB-CE2 3.68Å; L126-Y161 HydrophobicContact CB-CG 4.27Å; L126-Y161 HydrophobicContact CD2-CD2 4.43Å; L126-Y161 PolarHBondContact N-OH 3.38Å; A131-Y161 HydrophobicContact CB-CD1 3.79Å; A131-Y161 HydrophobicContact CB-CG 4.08Å; G157-Y161 WeakPolarHBondContact O-CD2 3.44Å; G157-Y161 VanDerWaalsContact O-CE2 3.3Å; G157-Y161 WeakPolarHBondContact O-CE2 3.46Å; V158-Y161 WeakPolarHBondContact O-CA 3.29Å; V158-Y161 WeakPolarHBondContact O-CB 3.36Å; V158-Y161 PolarHBondContact O-N 3.03Å; V159-Y161 VanDerWaalsContact C-N 3.32Å; V159-Y161 PolarHBondContact O-N 3.3Å; Y161-S163 VanDerWaalsContact C-N 3.34Å; Y161-S164 PolarHBondContact O-OG 2.69Å |
| 162 | L | 69.4 | Low | 68.8 | Low | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 170.4 | -64 | 176.4 | 0 | 0 | 0 | 111.5 | I117 I134 L138 T151 V158 V159 S164 F165 | I117-L162 HydrophobicContact CD1-CD1 3.99Å; I134-L162 HydrophobicContact CG2-CD2 4.3Å; L138-L162 HydrophobicContact CD2-CD1 4.19Å; L138-L162 HydrophobicContact CD2-CD2 3.71Å; T151-L162 HydrophobicContact CG2-CD1 4.48Å; V158-L162 HydrophobicContact CG1-CD1 4.09Å; V158-L162 HydrophobicContact CG1-CG 4.1Å; V158-L162 PolarHBondContact O-N 2.68Å; V159-L162 PolarHBondContact O-N 3.03Å; L162-S164 PolarHBondContact O-N 3Å; L162-S164 VanDerWaalsContact O-N 3.15Å; L162-F165 WeakPolarHBondContact O-CD2 3.2Å; L162-F165 VanDerWaalsContact O-CE2 3.22Å; L162-F165 WeakPolarHBondContact O-CE2 3.14Å |
| 163 | S | 58.8 | Low | 67 | Low | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -67.7 | -14.5 | -179.2 | 39.7 | 0 | 0 | 0 | 0 | 115.7 | V159 R160 Y161 F165 N218 Q220 | V159-S163 PolarHBondContact O-N 2.85Å; V159-S163 PolarHBondContact O-OG 2.94Å; R160-S163 WeakPolarHBondContact CA-OG 3.42Å; R160-S163 PolarHBondContact O-OG 2.89Å; R160-S163 VanDerWaalsContact O-OG 3.07Å; Y161-S163 VanDerWaalsContact C-N 3.34Å; S163-F165 PolarHBondContact O-N 3.42Å; S163-N218 WeakPolarHBondContact CB-ND2 3.38Å; S163-N218 PolarHBondContact OG-ND2 2.55Å; S163-Q220 VanDerWaalsContact CA-CG 3.43Å; S163-Q220 WeakPolarHBondContact O-CG 3.38Å |
| 164 | S | 59.9 | Low | 65.5 | Low | 25 Ų | 25 | 46.9 Ų | 46.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -74.4 | 20 | -179.6 | 61 | 0 | 0 | 0 | 0 | 115.6 | R135 Y161 L162 A166 | R135-S164 PolarHBondContact NE-OG 3.19Å; R135-S164 PolarHBondContact NH2-OG 3.23Å; Y161-S164 PolarHBondContact O-OG 2.69Å; L162-S164 PolarHBondContact O-N 3Å; L162-S164 VanDerWaalsContact O-N 3.15Å; S164-A166 VanDerWaalsContact C-N 3.34Å |
| 165 | F | 55.4 | Low | 63.8 | Low | 23 Ų | 23 | 48.4 Ų | 48.4 | 10% | 0.101 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -62.2 | -38.4 | 173.8 | -78.7 | -67 | 0 | 0 | 0 | 113 | R135 A139 L162 S163 E167 E168 I171 L178 | R135-F165 HydrophobicContact CG-CD1 3.91Å; R135-F165 HydrophobicContact CG-CE1 3.45Å; R135-F165 VanDerWaalsContact CG-CE1 3.45Å; R135-F165 HydrophobicContact CG-CE2 4.27Å; R135-F165 HydrophobicContact CG-CG 4.5Å; R135-F165 HydrophobicContact CG-CZ 3.64Å; A139-F165 HydrophobicContact CB-CE1 3.97Å; A139-F165 HydrophobicContact CB-CZ 4.33Å; L162-F165 WeakPolarHBondContact O-CD2 3.2Å; L162-F165 VanDerWaalsContact O-CE2 3.22Å; L162-F165 WeakPolarHBondContact O-CE2 3.14Å; S163-F165 PolarHBondContact O-N 3.42Å; F165-E167 PolarHBondContact O-N 3.47Å; F165-E168 PolarHBondContact O-N 3.04Å; F165-I171 WeakPolarHBondContact O-CD1 3.45Å; F165-I171 WeakPolarHBondContact O-CG1 3.48Å; F165-L178 HydrophobicContact CE2-CD2 4.11Å |
| 166 | A | 50.5 | Low | 62.3 | Low | 59 Ų | 59 | 53.9 Ų | 53.9 | 49% | 0.488 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -61.5 | -16.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S164 | S164-A166 VanDerWaalsContact C-N 3.34Š|
| 167 | E | 51 | Low | 61.2 | Low | 159 Ų | 159 | 57.8 Ų | 57.8 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -91.1 | -15.6 | -173.3 | -62.9 | 179 | 170.1 | 0 | 0 | 113.7 | F165 G169 | F165-E167 PolarHBondContact O-N 3.47Å; E167-G169 PolarHBondContact O-N 3.16Å |
| 168 | E | 49.5 | Very low | 60.7 | Low | 101 Ų | 101 | 58.5 Ų | 58.5 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -98.3 | 46.5 | -179.5 | -76.4 | -176 | -141.6 | 0 | 0 | 113.9 | R135 K136 F165 G170 | R135-E168 IonicContact CZ-OE1 2.85Å; R135-E168 IonicContact NH1-OE1 3.82Å; R135-E168 PolarHBondContact NH1-OE1 2.79Å; K136-E168 WeakPolarHBondContact CE-OE2 3.32Å; K136-E168 IonicContact NZ-OE1 3.84Å; K136-E168 IonicContact NZ-OE2 2.7Å; K136-E168 PolarHBondContact NZ-OE2 2.95Å; F165-E168 PolarHBondContact O-N 3.04Å; E168-G170 PolarHBondContact O-N 3.2Å |
| 169 | G | 41.7 | Very low | 60.8 | Low | 82 Ų | 82 | 59.1 Ų | 59.1 | 85% | 0.845 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 65.3 | -3.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | E167 | E167-G169 PolarHBondContact O-N 3.16Š|
| 170 | G | 49.4 | Very low | 60.9 | Low | 61 Ų | 61 | 59.2 Ų | 59.2 | 63% | 0.629 | 34% | 0.336 | S | S | * | . | trans | -145.9 | 39.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | E168 | E168-G170 PolarHBondContact O-N 3.2Š| ||
| 171 | I | 47.4 | Very low | 61.4 | Low | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | trans | -99.8 | -7.2 | -155.6 | -60 | 110 | 0 | 0 | 0 | 116.3 | F165 D173 Y174 M175 | F165-I171 WeakPolarHBondContact O-CD1 3.45Å; F165-I171 WeakPolarHBondContact O-CG1 3.48Å; I171-D173 PolarHBondContact O-N 3.14Å; I171-Y174 WeakPolarHBondContact O-CB 3.31Å; I171-Y174 PolarHBondContact O-N 3.41Å; I171-M175 HydrophobicContact CG2-CE 4.21Å; I171-M175 HydrophobicContact CG2-CG 3.88Å; I171-M175 PolarHBondContact O-N 3.33Å | ||
| 172 | V | 51.7 | Low | 62.1 | Low | 102 Ų | 102 | 53.2 Ų | 53.2 | 62% | 0.618 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.6 | -50.2 | -171.3 | -177.1 | 0 | 0 | 0 | 0 | 113.2 | Y174 | V172-Y174 PolarHBondContact O-N 3.32Å |
| 173 | D | 53 | Low | 63.3 | Low | 120 Ų | 120 | 53.2 Ų | 53.2 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71.3 | -20.8 | 176.8 | -64.7 | -26.3 | 0 | 0 | 0 | 112.4 | I171 | I171-D173 PolarHBondContact O-N 3.14Å |
| 174 | Y | 56.8 | Low | 65 | Low | 43 Ų | 43 | 52.6 Ų | 52.6 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -48.7 | -175.1 | -144.2 | -65.8 | 0 | 0 | 0 | 112 | A139 M143 I171 V172 Q176 Q177 | A139-Y174 VanDerWaalsContact CA-OH 3.25Å; A139-Y174 WeakPolarHBondContact CA-OH 3.24Å; A139-Y174 HydrophobicContact CB-CE1 4.13Å; A139-Y174 VanDerWaalsContact CB-OH 3.24Å; A139-Y174 WeakPolarHBondContact CB-OH 3.44Å; A139-Y174 PolarHBondContact O-OH 3.24Å; M143-Y174 HydrophobicContact CE-CD2 3.53Å; M143-Y174 HydrophobicContact CE-CE2 3.27Å; M143-Y174 HydrophobicContact CE-CG 4.21Å; M143-Y174 HydrophobicContact CG-CE1 4.45Å; M143-Y174 HydrophobicContact CG-CE2 4.27Å; M143-Y174 VanDerWaalsContact CG-OH 3.31Å; M143-Y174 WeakPolarHBondContact CG-OH 3.44Å; M143-Y174 HydrophobicContact SD-CD2 4.34Å; M143-Y174 HydrophobicContact SD-CE2 3.47Å; M143-Y174 WeakPolarHBondContact SD-CE2 3.21Å; M143-Y174 PolarHBondContact SD-OH 3.48Å; I171-Y174 WeakPolarHBondContact O-CB 3.31Å; I171-Y174 PolarHBondContact O-N 3.41Å; V172-Y174 PolarHBondContact O-N 3.32Å; Y174-Q176 PolarHBondContact O-N 2.7Å; Y174-Q177 PolarHBondContact O-N 2.75Å; Y174-Q177 VanDerWaalsContact O-N 3.13Å |
| 175 | M | 54 | Low | 66.6 | Low | 35 Ų | 35 | 51.6 Ų | 51.6 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -31.6 | -177.4 | -72 | -84.2 | -155.2 | 0 | 0 | 112.7 | I78 F82 I171 Q177 | I78-M175 HydrophobicContact CD1-CE 4.19Å; I78-M175 HydrophobicContact CG2-CE 4.17Å; F82-M175 HydrophobicContact CD1-CB 3.89Å; F82-M175 HydrophobicContact CE1-CB 3.32Å; F82-M175 HydrophobicContact CE1-CG 4.34Å; F82-M175 HydrophobicContact CE2-CB 4.28Å; F82-M175 HydrophobicContact CZ-CB 3.55Å; F82-M175 HydrophobicContact CZ-CG 4.29Å; I171-M175 HydrophobicContact CG2-CE 4.21Å; I171-M175 HydrophobicContact CG2-CG 3.88Å; I171-M175 PolarHBondContact O-N 3.33Å; M175-Q177 VanDerWaalsContact C-N 3.26Å; M175-Q177 PolarHBondContact O-N 2.93Å |
| 176 | Q | 56.9 | Low | 68.3 | Low | 139 Ų | 139 | 51 Ų | 51 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.4 | -178.4 | -61.7 | -169.5 | 13.2 | 0 | 0 | 114.2 | F82 Y174 | F82-Q176 HydrophobicContact CE1-CG 3.93Å; F82-Q176 HydrophobicContact CZ-CG 4.19Å; Y174-Q176 PolarHBondContact O-N 2.7Å |
| 177 | Q | 62.3 | Low | 70.1 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 41% | 0.411 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -10.7 | -176.7 | -57.9 | -172.6 | 11.1 | 0 | 0 | 113.5 | Y174 M175 | Y174-Q177 PolarHBondContact O-N 2.75Å; Y174-Q177 VanDerWaalsContact O-N 3.13Å; M175-Q177 VanDerWaalsContact C-N 3.26Å; M175-Q177 PolarHBondContact O-N 2.93Å |
| 178 | L | 73.1 | Confident | 72 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | trans | -96.8 | 101.2 | -172 | -173.7 | 61.6 | 0 | 0 | 0 | 111.8 | S142 F165 L180 T222 | S142-L178 WeakPolarHBondContact OG-CD1 3.01Å; F165-L178 HydrophobicContact CE2-CD2 4.11Å; L178-L180 HydrophobicContact CD2-CD1 3.67Å; L178-L180 HydrophobicContact CD2-CG 4.3Å; L178-L180 HydrophobicContact CG-CD1 4Å; L178-L180 HydrophobicContact CG-CG 4.08Å; L178-L180 PolarHBondContact O-N 3.14Å; L178-L180 VanDerWaalsContact O-N 3.14Å; L178-T222 WeakPolarHBondContact O-CG2 3.48Å | ||
| 179 | T | 87.1 | Confident | 73.9 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 83.9 | 177.2 | -54 | 0 | 0 | 0 | 0 | 111 | V108 W148 V149 I181 | V108-T179 HydrophobicContact CG1-CG2 3.69Å; W148-T179 HydrophobicContact CG-CG2 4.09Å; V149-T179 PolarHBondContact N-O 2.72Å; T179-I181 HydrophobicContact CG2-CD1 4.23Å; T179-I181 HydrophobicContact CG2-CG1 4.18Å |
| 180 | L | 89.5 | Confident | 75.9 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124 | 173.9 | -91.1 | 166.1 | 0 | 0 | 0 | 111.5 | V149 T151 L178 T222 H223 | V149-L180 HydrophobicContact CB-CD2 3.86Å; V149-L180 HydrophobicContact CG1-CD2 3.8Å; T151-L180 HydrophobicContact CG2-CD2 3.92Å; L178-L180 HydrophobicContact CD2-CD1 3.67Å; L178-L180 HydrophobicContact CD2-CG 4.3Å; L178-L180 HydrophobicContact CG-CD1 4Å; L178-L180 HydrophobicContact CG-CG 4.08Å; L178-L180 PolarHBondContact O-N 3.14Å; L178-L180 VanDerWaalsContact O-N 3.14Å; L180-T222 PolarHBondContact N-OG1 2.68Å; L180-T222 PolarHBondContact O-N 3.39Å; L180-T222 PolarHBondContact O-OG1 3.39Å; L180-H223 PolarHBondContact O-N 2.91Å; L180-H223 VanDerWaalsContact O-N 3.13Å |
| 181 | I | 93.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 114.4 | -175.3 | -52.8 | 158 | 0 | 0 | 0 | 109.1 | M102 W148 V149 F150 T151 T179 H223 L225 | M102-I181 HydrophobicContact CE-CD1 3.45Å; M102-I181 VanDerWaalsContact CE-CD1 3.45Å; M102-I181 HydrophobicContact CE-CG1 4.24Å; W148-I181 HydrophobicContact CB-CD1 4.09Å; W148-I181 HydrophobicContact CD2-CD1 4.22Å; W148-I181 HydrophobicContact CE3-CD1 4.23Å; W148-I181 HydrophobicContact CG-CD1 4.2Å; V149-I181 PolarHBondContact O-N 2.87Å; F150-I181 WeakPolarHBondContact CA-O 3.12Å; F150-I181 HydrophobicContact CD1-CB 3.91Å; F150-I181 HydrophobicContact CD1-CD1 4.25Å; F150-I181 HydrophobicContact CD1-CG2 3.82Å; F150-I181 HydrophobicContact CE1-CB 3.98Å; F150-I181 HydrophobicContact CE1-CD1 3.7Å; F150-I181 HydrophobicContact CE1-CG1 4.45Å; F150-I181 HydrophobicContact CE1-CG2 3.65Å; F150-I181 HydrophobicContact CE2-CD1 3.98Å; F150-I181 HydrophobicContact CZ-CD1 3.53Å; T151-I181 PolarHBondContact N-O 3.16Å; T179-I181 HydrophobicContact CG2-CD1 4.23Å; T179-I181 HydrophobicContact CG2-CG1 4.18Å; I181-H223 CarbonylContact C-O 3.45Å; I181-H223 WeakPolarHBondContact CA-O 3.45Å; I181-H223 HydrophobicContact CG1-CB 4.31Å; I181-H223 HydrophobicContact CG2-CB 4.42Å; I181-L225 HydrophobicContact CG2-CD1 4.32Å |
| 182 | G | 93.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | H221 H223 F224 L225 | G182-H221 PolarHBondContact N-CD2 3.29Å; G182-H223 PolarHBondContact N-O 2.65Å; G182-F224 WeakPolarHBondContact O-CA 3.43Å; G182-L225 PolarHBondContact O-N 2.87Å |
| 183 | V | 95.2 | Very high | 81 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 103.6 | 173.3 | -169.1 | 0 | 0 | 0 | 0 | 107.7 | F150 T151 S152 L225 V227 E238 R242 | F150-V183 HydrophobicContact CD1-CG2 3.95Å; T151-V183 PolarHBondContact O-N 2.89Å; S152-V183 CarbonylContact C-O 3.35Å; S152-V183 WeakPolarHBondContact CA-O 3.47Å; S152-V183 CarbonylContact O-C 3.54Å; S152-V183 VanDerWaalsContact O-O 3.09Å; V183-L225 WeakPolarHBondContact CA-O 3.44Å; V183-L225 HydrophobicContact CG1-CB 4.44Å; V183-L225 HydrophobicContact CG2-CB 4.42Å; V183-L225 HydrophobicContact CG2-CD1 4.28Å; V183-V227 HydrophobicContact CG1-CG2 3.9Å; V183-E238 HydrophobicContact CG1-CB 4.28Å; V183-R242 HydrophobicContact CG1-CB 4.37Å |
| 184 | A | 93.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S152 L154 W186 L217 L225 L226 V227 | S152-A184 WeakPolarHBondContact O-CA 3.37Å; S152-A184 VanDerWaalsContact O-CB 3.29Å; S152-A184 WeakPolarHBondContact O-CB 3.1Å; L154-A184 HydrophobicContact CD2-CB 4.04Å; L154-A184 HydrophobicContact CG-CB 4.32Å; A184-W186 PolarHBondContact O-N 3.41Å; A184-L217 HydrophobicContact CB-CD2 4.31Å; A184-L225 PolarHBondContact N-O 2.78Å; A184-L226 HydrophobicContact CB-CD2 4Å; A184-L226 CarbonylContact O-C 3.58Å; A184-L226 WeakPolarHBondContact O-CA 3.48Å; A184-V227 PolarHBondContact O-N 2.78Å |
| 185 | P | 93.7 | Very high | 84.2 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.6 | 171.9 | 26.6 | -28.2 | 0 | 0 | 0 | 110.1 | G187 V188 V227 L235 E238 | P185-G187 VanDerWaalsContact C-N 3.25Å; P185-G187 PolarHBondContact O-N 2.8Å; P185-V188 HydrophobicContact CG-CG2 3.95Å; P185-V227 CarbonylContact C-O 3.51Å; P185-V227 WeakPolarHBondContact CA-O 3.16Å; P185-L235 HydrophobicContact CG-CD2 3.91Å; P185-E238 HydrophobicContact CB-CB 4.4Å; P185-E238 WeakPolarHBondContact CB-OE2 3.29Å; P185-E238 WeakPolarHBondContact CD-OE2 3.1Å; P185-E238 VanDerWaalsContact CG-OE2 3.25Å; P185-E238 WeakPolarHBondContact CG-OE2 3.33Å |
| 186 | W | 92.3 | Very high | 86 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -55 | -42.6 | -179.1 | 173.3 | -95.2 | 0 | 0 | 0 | 111.7 | A69 R88 A184 V188 I189 Q192 L195 V196 L226 V227 D228 | A69-W186 HydrophobicContact CB-CH2 4.05Å; A69-W186 HydrophobicContact CB-CZ3 4.14Å; R88-W186 HydrophobicContact CB-CE3 4.35Å; R88-W186 HydrophobicContact CG-CD2 4.22Å; R88-W186 HydrophobicContact CG-CE3 4.11Å; A184-W186 PolarHBondContact O-N 3.41Å; W186-V188 PolarHBondContact O-N 2.84Å; W186-I189 HydrophobicContact CE3-CD1 4.42Å; W186-I189 PolarHBondContact O-N 2.78Å; W186-Q192 HydrophobicContact CD2-CG 4.33Å; W186-Q192 HydrophobicContact CH2-CB 4.37Å; W186-Q192 HydrophobicContact CH2-CG 4.39Å; W186-Q192 WeakPolarHBondContact CH2-O 3.41Å; W186-Q192 HydrophobicContact CZ2-CB 3.9Å; W186-Q192 HydrophobicContact CZ2-CG 3.81Å; W186-Q192 PolarHBondContact O-NE2 3.07Å; W186-L195 HydrophobicContact CH2-CB 3.93Å; W186-L195 HydrophobicContact CZ3-CB 3.99Å; W186-L195 HydrophobicContact CZ3-CD1 4.34Å; W186-V196 HydrophobicContact CH2-CG2 4.24Å; W186-V196 HydrophobicContact CZ2-CG2 4.24Å; W186-L226 HydrophobicContact CE3-CB 4.04Å; W186-L226 HydrophobicContact CE3-CD1 3.83Å; W186-L226 HydrophobicContact CZ3-CD1 3.84Å; W186-V227 PolarHBondContact N-O 2.88Å; W186-D228 HydrophobicContact CB-CB 3.99Å; W186-D228 HydrophobicContact CG-CB 4.4Å |
| 187 | G | 88.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -61 | -12.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | P185 Q192 T231 V232 G233 | P185-G187 VanDerWaalsContact C-N 3.25Å; P185-G187 PolarHBondContact O-N 2.8Å; G187-Q192 PolarHBondContact O-NE2 3.07Å; G187-T231 WeakPolarHBondContact CA-O 3.47Å; G187-V232 WeakPolarHBondContact O-CA 3.32Å; G187-G233 PolarHBondContact O-N 2.91Å |
| 188 | V | 89 | Confident | 88.9 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -110 | -7.9 | -179 | -51.6 | 0 | 0 | 0 | 0 | 114.8 | L154 P185 W186 S214 Y215 K234 L235 | L154-V188 HydrophobicContact CD1-CG2 4.03Å; L154-V188 HydrophobicContact CD2-CG2 4.49Å; P185-V188 HydrophobicContact CG-CG2 3.95Å; W186-V188 PolarHBondContact O-N 2.84Å; V188-S214 CarbonylContact O-C 3.54Å; V188-S214 WeakPolarHBondContact O-CA 3.47Å; V188-Y215 HydrophobicContact CB-CD2 4.11Å; V188-Y215 HydrophobicContact CG2-CD2 3.93Å; V188-Y215 PolarHBondContact O-N 2.95Å; V188-K234 WeakPolarHBondContact CG1-O 3.27Å; V188-L235 HydrophobicContact CB-CD2 4.41Å; V188-L235 HydrophobicContact CG1-CD2 3.91Å; V188-L235 HydrophobicContact CG1-CG 4.29Å; V188-L235 HydrophobicContact CG2-CD2 3.92Å |
| 189 | I | 90.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -70.5 | 131.6 | -173.9 | -59.5 | 166.9 | 0 | 0 | 0 | 109.9 | L154 W186 E191 Q192 L195 Y215 L217 L226 | L154-I189 HydrophobicContact CD2-CG1 4.44Å; W186-I189 HydrophobicContact CE3-CD1 4.42Å; W186-I189 PolarHBondContact O-N 2.78Å; I189-E191 HydrophobicContact CG2-CB 4.37Å; I189-Q192 HydrophobicContact CB-CG 4.18Å; I189-Q192 VanDerWaalsContact O-CG 3.28Å; I189-Q192 WeakPolarHBondContact O-CG 3.35Å; I189-L195 HydrophobicContact CG2-CD1 4.1Å; I189-Y215 CarbonylContact C-O 3.56Å; I189-Y215 VanDerWaalsContact CA-O 3.29Å; I189-Y215 WeakPolarHBondContact CA-O 3.27Å; I189-L217 HydrophobicContact CD1-CD2 3.95Å; I189-L217 HydrophobicContact CG1-CD2 4.24Å; I189-L217 HydrophobicContact CG2-CG 4.26Å; I189-L226 HydrophobicContact CD1-CD1 4.17Å; I189-L226 HydrophobicContact CD1-CD2 3.88Å; I189-L226 HydrophobicContact CD1-CG 4.45Å |
| 190 | S | 84 | Confident | 89.6 | Confident | 38 Ų | 38 | 30.2 Ų | 30.2 | 27% | 0.266 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -38.9 | 176.1 | 21.3 | 0 | 0 | 0 | 0 | 113 | Q192 Y215 R216 | S190-Q192 PolarHBondContact O-N 3.17Å; S190-Y215 PolarHBondContact N-O 2.97Å; S190-Y215 PolarHBondContact OG-O 3.39Å; S190-R216 WeakPolarHBondContact OG-CG 3.36Å |
| 191 | E | 82 | Confident | 89.5 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 20.9 | -174.3 | -64.4 | 69.3 | -156.9 | 0 | 0 | 113.1 | I189 C193 D194 L195 L204 R216 | I189-E191 HydrophobicContact CG2-CB 4.37Å; E191-C193 VanDerWaalsContact C-N 3.31Å; E191-C193 PolarHBondContact O-N 2.79Å; E191-D194 PolarHBondContact O-N 3.43Å; E191-D194 VanDerWaalsContact O-N 3.16Å; E191-L195 WeakPolarHBondContact O-CG 3.47Å; E191-L195 PolarHBondContact O-N 3.03Å; E191-L204 HydrophobicContact CB-CD1 4.45Å; E191-L204 HydrophobicContact CB-CD2 4.03Å; E191-L204 HydrophobicContact CG-CD1 4.43Å; E191-L204 HydrophobicContact CG-CD2 3.99Å; E191-R216 WeakPolarHBondContact OE1-CD 3.25Å; E191-R216 WeakPolarHBondContact OE1-CG 3.46Å; E191-R216 IonicContact OE1-CZ 3.91Å; E191-R216 IonicContact OE1-NE 2.97Å; E191-R216 PolarHBondContact OE1-NE 3.35Å |
| 192 | Q | 87.1 | Confident | 89.2 | Confident | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.229 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -46.7 | -178.3 | -85.9 | 172.4 | 14.4 | 0 | 0 | 113.4 | W186 G187 I189 S190 D194 L195 V196 | W186-Q192 HydrophobicContact CD2-CG 4.33Å; W186-Q192 HydrophobicContact CH2-CB 4.37Å; W186-Q192 HydrophobicContact CH2-CG 4.39Å; W186-Q192 WeakPolarHBondContact CH2-O 3.41Å; W186-Q192 HydrophobicContact CZ2-CB 3.9Å; W186-Q192 HydrophobicContact CZ2-CG 3.81Å; W186-Q192 PolarHBondContact O-NE2 3.07Å; G187-Q192 PolarHBondContact O-NE2 3.07Å; I189-Q192 HydrophobicContact CB-CG 4.18Å; I189-Q192 VanDerWaalsContact O-CG 3.28Å; I189-Q192 WeakPolarHBondContact O-CG 3.35Å; S190-Q192 PolarHBondContact O-N 3.17Å; Q192-D194 PolarHBondContact O-N 3.16Å; Q192-L195 PolarHBondContact O-N 3.14Å; Q192-V196 PolarHBondContact O-N 3.24Å |
| 193 | C | 86 | Confident | 88.8 | Confident | 109 Ų | 109 | 42 Ų | 42 | 74% | 0.736 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -38.1 | -176.5 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | E191 L195 V196 | E191-C193 VanDerWaalsContact C-N 3.31Å; E191-C193 PolarHBondContact O-N 2.79Å; C193-L195 PolarHBondContact O-N 3.08Å; C193-V196 PolarHBondContact O-N 3.16Å |
| 194 | D | 87.6 | Confident | 88.1 | Confident | 102 Ų | 102 | 42.6 Ų | 42.6 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23 | -179.8 | -55.7 | -39.2 | 0 | 0 | 0 | 111.8 | E191 Q192 V202 L204 | E191-D194 PolarHBondContact O-N 3.43Å; E191-D194 VanDerWaalsContact O-N 3.16Å; Q192-D194 PolarHBondContact O-N 3.16Å; D194-V202 HydrophobicContact CB-CG1 4.12Å; D194-V202 VanDerWaalsContact O-CG1 3.23Å; D194-V202 WeakPolarHBondContact O-CG1 3.45Å; D194-V202 VanDerWaalsContact O-CG2 3.23Å; D194-V202 WeakPolarHBondContact O-CG2 3.37Å; D194-L204 HydrophobicContact CB-CD2 4.15Å |
| 195 | L | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.9 | -179.7 | -67.5 | 168 | 0 | 0 | 0 | 114.1 | A69 I73 Y86 W186 I189 E191 Q192 C193 V202 L217 L226 | A69-L195 VanDerWaalsContact CB-O 3.26Å; A69-L195 WeakPolarHBondContact CB-O 3.42Å; I73-L195 HydrophobicContact CD1-CD2 3.67Å; I73-L195 HydrophobicContact CG1-CD2 3.92Å; Y86-L195 HydrophobicContact CD2-CD2 4.18Å; Y86-L195 HydrophobicContact CE1-CD2 4.37Å; Y86-L195 HydrophobicContact CE2-CB 4.04Å; Y86-L195 HydrophobicContact CE2-CD2 3.93Å; Y86-L195 VanDerWaalsContact CE2-O 3.3Å; Y86-L195 WeakPolarHBondContact CE2-O 3.49Å; Y86-L195 PolarHBondContact OH-O 3.34Å; W186-L195 HydrophobicContact CH2-CB 3.93Å; W186-L195 HydrophobicContact CZ3-CB 3.99Å; W186-L195 HydrophobicContact CZ3-CD1 4.34Å; I189-L195 HydrophobicContact CG2-CD1 4.1Å; E191-L195 WeakPolarHBondContact O-CG 3.47Å; E191-L195 PolarHBondContact O-N 3.03Å; Q192-L195 PolarHBondContact O-N 3.14Å; C193-L195 PolarHBondContact O-N 3.08Å; L195-V202 HydrophobicContact CD2-CG1 4.25Å; L195-V202 HydrophobicContact CD2-CG2 4.46Å; L195-L217 HydrophobicContact CD1-CD1 3.84Å; L195-L226 HydrophobicContact CD1-CD1 4.2Å |
| 196 | V | 91.6 | Very high | 85.8 | Confident | 72 Ų | 72 | 54 Ų | 54 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | trans | -77.3 | 123.9 | 177 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | W186 Q192 C193 | W186-V196 HydrophobicContact CH2-CG2 4.24Å; W186-V196 HydrophobicContact CZ2-CG2 4.24Å; Q192-V196 PolarHBondContact O-N 3.24Å; C193-V196 PolarHBondContact O-N 3.16Å | ||
| 197 | G | 89.6 | Confident | 84.5 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | 155.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N68 A69 Y70 | N68-G197 PolarHBondContact O-N 2.84Å; A69-G197 VanDerWaalsContact CA-O 3.31Å; A69-G197 WeakPolarHBondContact CA-O 3.39Å; Y70-G197 PolarHBondContact N-O 3Å |
| 198 | Q | 89.3 | Confident | 82.8 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 60% | 0.598 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.9 | 175.7 | -65.3 | 166.4 | -80.7 | 0 | 0 | 108.8 | E11 Y70 A200 | E11-Q198 VanDerWaalsContact CD-NE2 3.3Å; E11-Q198 PolarHBondContact OE1-NE2 3.42Å; Y70-Q198 HydrophobicContact CE1-CB 3.8Å; Y70-Q198 HydrophobicContact CE1-CG 3.86Å; Q198-A200 PolarHBondContact O-N 3.02Å |
| 199 | N | 89.7 | Confident | 80.9 | Confident | 30 Ų | 30 | 77.3 Ų | 77.3 | 16% | 0.16 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.9 | 33.5 | -175.3 | -158.5 | 2.9 | 0 | 0 | 0 | 114 | L2 C7 Y70 | L2-N199 PolarHBondContact N-ND2 3.44Å; L2-N199 PolarHBondContact N-OD1 3.24Å; L2-N199 PolarHBondContact O-ND2 3.17Å; L2-N199 VanDerWaalsContact O-ND2 3.09Å; C7-N199 PolarHBondContact SG-ND2 3.35Å; C7-N199 VanDerWaalsContact SG-ND2 3.43Å; Y70-N199 HydrophobicContact CE2-CB 3.93Å; Y70-N199 WeakPolarHBondContact O-CA 3.44Å; Y70-N199 PolarHBondContact O-N 3.08Å |
| 200 | A | 85.9 | Confident | 79 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 152.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y70 G71 T72 Q198 V202 | Y70-A200 PolarHBondContact O-N 3.23Å; Y70-A200 VanDerWaalsContact O-N 3.08Å; G71-A200 WeakPolarHBondContact CA-O 3.37Å; T72-A200 PolarHBondContact N-O 3.37Å; Q198-A200 PolarHBondContact O-N 3.02Å; A200-V202 HydrophobicContact CB-CG2 4.08Å |
| 201 | Q | 87.3 | Confident | 77.4 | Confident | 89 Ų | 89 | 86.1 Ų | 86.1 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 98.7 | 165.6 | -66.7 | -126.3 | -49.5 | 0 | 0 | 109.4 | M1 T72 | M1-Q201 HydrophobicContact CE-CG 4.2Å; T72-Q201 WeakPolarHBondContact O-CA 3.41Å; T72-Q201 PolarHBondContact OG1-NE2 3.32Å |
| 202 | V | 86.4 | Confident | 76.1 | Confident | 12 Ų | 12 | 88 Ų | 88 | 7% | 0.073 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.5 | -173.4 | -176 | 0 | 0 | 0 | 0 | 109.7 | T72 I73 E74 Y86 D194 L195 A200 L204 | T72-V202 PolarHBondContact O-N 3.35Å; I73-V202 CarbonylContact C-O 3.59Å; I73-V202 WeakPolarHBondContact CA-O 3.35Å; E74-V202 PolarHBondContact N-O 2.77Å; Y86-V202 HydrophobicContact CE1-CG2 4.15Å; D194-V202 HydrophobicContact CB-CG1 4.12Å; D194-V202 VanDerWaalsContact O-CG1 3.23Å; D194-V202 WeakPolarHBondContact O-CG1 3.45Å; D194-V202 VanDerWaalsContact O-CG2 3.23Å; D194-V202 WeakPolarHBondContact O-CG2 3.37Å; L195-V202 HydrophobicContact CD2-CG1 4.25Å; L195-V202 HydrophobicContact CD2-CG2 4.46Å; A200-V202 HydrophobicContact CB-CG2 4.08Å; V202-L204 HydrophobicContact CG1-CD2 3.72Å; V202-L204 HydrophobicContact CG1-CG 4.14Å |
| 203 | K | 86 | Confident | 75 | Confident | 147 Ų | 147 | 91.1 Ų | 91.1 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.5 | 174.9 | -62.8 | -150.7 | -179.3 | -153.6 | 0 | 110.8 | E74 | E74-K203 HydrophobicContact CB-CG 4.3Å; E74-K203 VanDerWaalsContact CD-CE 3.5Å; E74-K203 VanDerWaalsContact CD-NZ 3.29Å; E74-K203 WeakPolarHBondContact O-CA 3.35Å; E74-K203 WeakPolarHBondContact OE1-CE 3.41Å; E74-K203 IonicContact OE1-NZ 3.46Å; E74-K203 PolarHBondContact OE1-NZ 3.25Å; E74-K203 VanDerWaalsContact OE2-CE 3.24Å; E74-K203 WeakPolarHBondContact OE2-CE 3.49Å; E74-K203 IonicContact OE2-NZ 3.64Å; E74-K203 PolarHBondContact OE2-NZ 2.86Å |
| 204 | L | 81.2 | Confident | 74.4 | Confident | 16 Ų | 16 | 88 Ų | 88 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.9 | -178.2 | -64.4 | -174.8 | 0 | 0 | 0 | 112.1 | I73 E74 F75 S76 E191 D194 V202 | I73-L204 HydrophobicContact CG2-CB 4.41Å; I73-L204 HydrophobicContact CG2-CD1 3.72Å; I73-L204 HydrophobicContact CG2-CG 3.87Å; E74-L204 PolarHBondContact O-N 3.4Å; F75-L204 HydrophobicContact CD1-CB 4.16Å; F75-L204 HydrophobicContact CD1-CD1 4.49Å; F75-L204 HydrophobicContact CE1-CB 4.42Å; F75-L204 HydrophobicContact CE1-CD1 3.94Å; S76-L204 WeakPolarHBondContact CB-O 3.46Å; S76-L204 PolarHBondContact N-O 3.16Å; S76-L204 VanDerWaalsContact N-O 3.1Å; S76-L204 PolarHBondContact OG-O 3.42Å; E191-L204 HydrophobicContact CB-CD1 4.45Å; E191-L204 HydrophobicContact CB-CD2 4.03Å; E191-L204 HydrophobicContact CG-CD1 4.43Å; E191-L204 HydrophobicContact CG-CD2 3.99Å; D194-L204 HydrophobicContact CB-CD2 4.15Å; V202-L204 HydrophobicContact CG1-CD2 3.72Å; V202-L204 HydrophobicContact CG1-CG 4.14Å |
| 205 | M | 71.5 | Confident | 74.2 | Confident | 150 Ų | 150 | 85.9 Ų | 85.9 | 74% | 0.739 | 44% | 0.439 | S | S | * | . | trans | -89.1 | 116.6 | -179.8 | -77.2 | -80.5 | -142 | 0 | 0 | 111.4 | S76 K207 | S76-M205 WeakPolarHBondContact OG-CA 3.41Å; M205-K207 PolarHBondContact O-N 3.01Å | ||
| 206 | Y | 67.2 | Low | 74 | Confident | 95 Ų | 95 | 87.9 Ų | 87.9 | 37% | 0.373 | 45% | 0.447 | S | S | . | . | trans | -74.6 | 95 | -178.3 | -167.9 | -84.8 | 0 | 0 | 0 | 112.4 | S76 R77 | S76-Y206 PolarHBondContact OG-N 3.08Å; R77-Y206 HydrophobicContact CG-CG 4.33Å | ||
| 207 | K | 63.1 | Low | 74 | Confident | 149 Ų | 149 | 84.9 Ų | 84.9 | 65% | 0.648 | 43% | 0.428 | S | S | * | . | trans | -89.4 | 114.8 | 178 | -68 | 174 | -178.9 | 170.6 | 0 | 111.3 | M205 F209 R216 | M205-K207 PolarHBondContact O-N 3.01Å; K207-F209 PolarHBondContact O-N 3.29Å; K207-R216 VanDerWaalsContact O-CZ 3.29Å; K207-R216 PolarHBondContact O-NH1 3.35Å; K207-R216 PolarHBondContact O-NH2 3.02Å | ||
| 208 | K | 54.4 | Low | 73.9 | Confident | 186 Ų | 186 | 84 Ų | 84 | 81% | 0.809 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -62 | -8.6 | -167.8 | -144 | 178 | -175.2 | -178.5 | 0 | 116.7 | ||
| 209 | F | 48.1 | Very low | 73.7 | Confident | 176 Ų | 176 | 78.2 Ų | 78.2 | 77% | 0.772 | 39% | 0.392 | S | S | * | . | trans | -126.8 | 147 | 170.7 | -90.1 | -105.8 | 0 | 0 | 0 | 110.9 | K207 R216 | K207-F209 PolarHBondContact O-N 3.29Å; F209-R216 PolarHBondContact O-NH2 2.95Å; F209-R216 VanDerWaalsContact O-NH2 3.15Å | ||
| 210 | S | 50.1 | Low | 73.3 | Confident | 58 Ų | 58 | 77.5 Ų | 77.5 | 41% | 0.406 | 39% | 0.387 | S | S | . | . | trans | -134.4 | 136.9 | 156.1 | -93.7 | 0 | 0 | 0 | 0 | 106.6 | R216 | S210-R216 PolarHBondContact OG-NH2 3.4Š| ||
| 211 | I | 51.8 | Low | 73.4 | Confident | 168 Ų | 168 | 76.6 Ų | 76.6 | 86% | 0.862 | 38% | 0.379 | S | S | * | . | trans | -102.9 | -15.9 | -177.9 | -65.2 | 170.7 | 0 | 0 | 0 | 111.5 | ||||
| 212 | S | 54.9 | Low | 73.5 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -77.7 | 159.6 | 175.4 | 60 | 0 | 0 | 0 | 0 | 112.4 | S214 | S212-S214 WeakPolarHBondContact CB-OG 3.33Å; S212-S214 PolarHBondContact O-N 2.77Å; S212-S214 WeakPolarHBondContact OG-CB 3.4Å; S212-S214 PolarHBondContact OG-OG 2.84Å |
| 213 | S | 63.1 | Low | 73.8 | Confident | 115 Ų | 115 | 74.7 Ų | 74.7 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -70.8 | 28.4 | 170.5 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 214 | S | 72.5 | Confident | 74.3 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 138.6 | -175.7 | -44.1 | 0 | 0 | 0 | 0 | 110.3 | V188 S212 | V188-S214 CarbonylContact O-C 3.54Å; V188-S214 WeakPolarHBondContact O-CA 3.47Å; S212-S214 WeakPolarHBondContact CB-OG 3.33Å; S212-S214 PolarHBondContact O-N 2.77Å; S212-S214 WeakPolarHBondContact OG-CB 3.4Å; S212-S214 PolarHBondContact OG-OG 2.84Å |
| 215 | Y | 84.9 | Confident | 75 | Confident | 59 Ų | 59 | 67 Ų | 67 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 153.3 | 175.6 | -65.5 | -82.6 | 0 | 0 | 0 | 111 | L154 N156 V188 I189 S190 L235 | L154-Y215 HydrophobicContact CD1-CD2 4.33Å; L154-Y215 HydrophobicContact CD1-CG 4.08Å; N156-Y215 HydrophobicContact CB-CD1 3.97Å; N156-Y215 HydrophobicContact CB-CE1 3.94Å; N156-Y215 WeakPolarHBondContact ND2-CD1 3.35Å; N156-Y215 VanDerWaalsContact ND2-CE1 3.26Å; N156-Y215 WeakPolarHBondContact ND2-CE1 3.42Å; V188-Y215 HydrophobicContact CB-CD2 4.11Å; V188-Y215 HydrophobicContact CG2-CD2 3.93Å; V188-Y215 PolarHBondContact O-N 2.95Å; I189-Y215 CarbonylContact C-O 3.56Å; I189-Y215 VanDerWaalsContact CA-O 3.29Å; I189-Y215 WeakPolarHBondContact CA-O 3.27Å; S190-Y215 PolarHBondContact N-O 2.97Å; S190-Y215 PolarHBondContact OG-O 3.39Å; Y215-L235 HydrophobicContact CD2-CD2 4.24Å; Y215-L235 HydrophobicContact CE2-CD1 3.87Å; Y215-L235 HydrophobicContact CE2-CD2 4.13Å; Y215-L235 HydrophobicContact CE2-CG 4.33Å |
| 216 | R | 86.4 | Confident | 76.1 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 155.7 | 173.6 | -68.6 | -147.3 | -179.4 | 121.5 | 14.8 | 112.5 | L154 D155 S190 E191 K207 F209 S210 | L154-R216 CarbonylContact C-O 3.56Å; L154-R216 WeakPolarHBondContact CA-O 3.09Å; D155-R216 HydrophobicContact CB-CB 4.45Å; D155-R216 PolarHBondContact N-O 3.46Å; S190-R216 WeakPolarHBondContact OG-CG 3.36Å; E191-R216 WeakPolarHBondContact OE1-CD 3.25Å; E191-R216 WeakPolarHBondContact OE1-CG 3.46Å; E191-R216 IonicContact OE1-CZ 3.91Å; E191-R216 IonicContact OE1-NE 2.97Å; E191-R216 PolarHBondContact OE1-NE 3.35Å; K207-R216 VanDerWaalsContact O-CZ 3.29Å; K207-R216 PolarHBondContact O-NH1 3.35Å; K207-R216 PolarHBondContact O-NH2 3.02Å; F209-R216 PolarHBondContact O-NH2 2.95Å; F209-R216 VanDerWaalsContact O-NH2 3.15Å; S210-R216 PolarHBondContact OG-NH2 3.4Å |
| 217 | L | 89.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 137.7 | 161.4 | -59.3 | -176 | 0 | 0 | 0 | 110.7 | I73 F75 L154 A184 I189 L195 F224 L226 | I73-L217 HydrophobicContact CD1-CD1 3.72Å; F75-L217 HydrophobicContact CE1-CB 4.48Å; F75-L217 HydrophobicContact CZ-CB 4.35Å; L154-L217 HydrophobicContact CD2-CD2 4.35Å; A184-L217 HydrophobicContact CB-CD2 4.31Å; I189-L217 HydrophobicContact CD1-CD2 3.95Å; I189-L217 HydrophobicContact CG1-CD2 4.24Å; I189-L217 HydrophobicContact CG2-CG 4.26Å; L195-L217 HydrophobicContact CD1-CD1 3.84Å; L217-F224 HydrophobicContact CB-CE1 3.95Å; L217-F224 HydrophobicContact CB-CZ 3.88Å; L217-F224 HydrophobicContact CD1-CD1 4.37Å; L217-F224 HydrophobicContact CD1-CE1 4.33Å; L217-F224 HydrophobicContact CD1-CZ 4.44Å; L217-F224 HydrophobicContact CD2-CD1 3.95Å; L217-F224 HydrophobicContact CD2-CE1 3.77Å; L217-F224 HydrophobicContact CG-CE1 4.23Å; L217-L226 HydrophobicContact CD1-CD2 4.44Å; L217-L226 HydrophobicContact CD2-CD2 4Å |
| 218 | N | 87.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 135.1 | -178.3 | 176.3 | -97.1 | 0 | 0 | 0 | 112 | G153 D155 V159 S163 Q220 H221 F224 | G153-N218 WeakPolarHBondContact O-CB 3.39Å; G153-N218 PolarHBondContact O-N 3.28Å; D155-N218 HydrophobicContact CB-CB 4.28Å; D155-N218 PolarHBondContact OD1-ND2 2.89Å; V159-N218 HydrophobicContact CG1-CB 3.59Å; V159-N218 PolarHBondContact O-ND2 2.91Å; S163-N218 WeakPolarHBondContact CB-ND2 3.38Å; S163-N218 PolarHBondContact OG-ND2 2.55Å; N218-Q220 PolarHBondContact O-N 2.9Å; N218-H221 PolarHBondContact O-N 2.86Å; N218-H221 PolarHBondContact OD1-ND1 3.45Å; N218-F224 WeakPolarHBondContact O-CZ 3.5Å |
| 219 | D | 84.7 | Confident | 80.6 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -29.2 | -167 | 57.9 | 15.4 | 0 | 0 | 0 | 115.5 | F75 R77 I78 H221 | F75-D219 HydrophobicContact CB-CB 3.92Å; F75-D219 HydrophobicContact CD1-CB 3.87Å; F75-D219 HydrophobicContact CD2-CB 4.25Å; F75-D219 WeakPolarHBondContact CD2-O 3.37Å; F75-D219 HydrophobicContact CE1-CB 4.41Å; F75-D219 HydrophobicContact CG-CB 3.77Å; R77-D219 WeakPolarHBondContact CD-OD2 3.39Å; R77-D219 IonicContact NH1-OD2 2.67Å; I78-D219 HydrophobicContact CD1-CB 4.29Å; I78-D219 WeakPolarHBondContact CD1-O 3.04Å; D219-H221 VanDerWaalsContact C-N 3.29Å; D219-H221 PolarHBondContact O-N 2.97Å |
| 220 | Q | 81.7 | Confident | 82.5 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0.2 | -178.3 | -49.8 | -57.2 | -78.7 | 0 | 0 | 114.6 | S163 N218 | S163-Q220 VanDerWaalsContact CA-CG 3.43Å; S163-Q220 WeakPolarHBondContact O-CG 3.38Å; N218-Q220 PolarHBondContact O-N 2.9Å |
| 221 | H | 88.3 | Confident | 84.2 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | trans | -79.7 | 134.2 | -177.3 | -86.9 | 74.2 | 0 | 0 | 0 | 112.3 | A84 T151 G182 N218 D219 F224 | A84-H221 WeakPolarHBondContact CB-O 3.44Å; T151-H221 PolarHBondContact OG1-CE1 3.41Å; T151-H221 VanDerWaalsContact OG1-CE1 3.25Å; T151-H221 PolarHBondContact OG1-NE2 3.46Å; G182-H221 PolarHBondContact N-CD2 3.29Å; N218-H221 PolarHBondContact O-N 2.86Å; N218-H221 PolarHBondContact OD1-ND1 3.45Å; D219-H221 VanDerWaalsContact C-N 3.29Å; D219-H221 PolarHBondContact O-N 2.97Å; H221-F224 HydrophobicContact CB-CE1 3.92Å; H221-F224 HydrophobicContact CB-CE2 3.79Å; H221-F224 HydrophobicContact CB-CZ 3.41Å; H221-F224 VanDerWaalsContact CB-CZ 3.41Å | ||
| 222 | T | 88.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 24 Ų | 24 | 24% | 0.239 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -88.1 | -26.3 | -176.8 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | A84 Q85 L178 L180 | A84-T222 CarbonylContact C-O 3.59Å; A84-T222 VanDerWaalsContact CA-O 3.24Å; A84-T222 WeakPolarHBondContact CA-O 3.15Å; Q85-T222 PolarHBondContact N-O 3.01Å; L178-T222 WeakPolarHBondContact O-CG2 3.48Å; L180-T222 PolarHBondContact N-OG1 2.68Å; L180-T222 PolarHBondContact O-N 3.39Å; L180-T222 PolarHBondContact O-OG1 3.39Å |
| 223 | H | 93.9 | Very high | 87.1 | Confident | 22 Ų | 22 | 23.5 Ų | 23.5 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 142.1 | -176.5 | -60.8 | 86.2 | 0 | 0 | 0 | 110.6 | Q85 W106 V108 L180 I181 G182 | Q85-H223 CarbonylContact O-C 3.55Å; Q85-H223 WeakPolarHBondContact O-CA 3.29Å; W106-H223 AromaticContact CD2-CD2 3.71Å; W106-H223 HydrophobicContact CE3-CB 4.23Å; W106-H223 AromaticContact CE3-CD2 3.33Å; W106-H223 HydrophobicContact CH2-CB 4.4Å; W106-H223 HydrophobicContact CZ3-CB 3.84Å; W106-H223 AromaticContact CZ3-CD2 3.85Å; V108-H223 WeakPolarHBondContact CG2-NE2 3.43Å; L180-H223 PolarHBondContact O-N 2.91Å; L180-H223 VanDerWaalsContact O-N 3.13Å; I181-H223 CarbonylContact C-O 3.45Å; I181-H223 WeakPolarHBondContact CA-O 3.45Å; I181-H223 HydrophobicContact CG1-CB 4.31Å; I181-H223 HydrophobicContact CG2-CB 4.42Å; G182-H223 PolarHBondContact N-O 2.65Å |
| 224 | F | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.5 | 179.6 | -73.7 | -79.4 | 0 | 0 | 0 | 112.7 | I73 F75 A84 Q85 Y86 I87 G182 L217 N218 H221 L226 | I73-F224 HydrophobicContact CD1-CD2 4.07Å; I73-F224 HydrophobicContact CD1-CE2 4.27Å; F75-F224 AromaticContact CE2-CE2 3.99Å; F75-F224 HydrophobicContact CE2-CE2 3.99Å; F75-F224 HydrophobicContact CE2-CZ 4.45Å; F75-F224 AromaticContact CZ-CE2 3.85Å; F75-F224 HydrophobicContact CZ-CE2 3.85Å; F75-F224 HydrophobicContact CZ-CZ 4.02Å; A84-F224 HydrophobicContact CB-CD2 4.13Å; A84-F224 HydrophobicContact CB-CE2 4Å; Q85-F224 PolarHBondContact O-N 3.03Å; Y86-F224 WeakPolarHBondContact CA-O 3.36Å; I87-F224 PolarHBondContact N-O 3.12Å; I87-F224 VanDerWaalsContact N-O 3.17Å; G182-F224 WeakPolarHBondContact O-CA 3.43Å; L217-F224 HydrophobicContact CB-CE1 3.95Å; L217-F224 HydrophobicContact CB-CZ 3.88Å; L217-F224 HydrophobicContact CD1-CD1 4.37Å; L217-F224 HydrophobicContact CD1-CE1 4.33Å; L217-F224 HydrophobicContact CD1-CZ 4.44Å; L217-F224 HydrophobicContact CD2-CD1 3.95Å; L217-F224 HydrophobicContact CD2-CE1 3.77Å; L217-F224 HydrophobicContact CG-CE1 4.23Å; N218-F224 WeakPolarHBondContact O-CZ 3.5Å; H221-F224 HydrophobicContact CB-CE1 3.92Å; H221-F224 HydrophobicContact CB-CE2 3.79Å; H221-F224 HydrophobicContact CB-CZ 3.41Å; H221-F224 VanDerWaalsContact CB-CZ 3.41Å; F224-L226 HydrophobicContact CB-CD2 3.93Å; F224-L226 HydrophobicContact CB-CG 4.37Å; F224-L226 HydrophobicContact CD1-CD2 4.27Å; F224-L226 HydrophobicContact CG-CD2 4.45Å |
| 225 | L | 96.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 101.4 | 169.9 | -66.2 | 173.9 | 0 | 0 | 0 | 107.6 | I87 L89 I98 W106 I181 G182 V183 A184 | I87-L225 HydrophobicContact CG2-CD2 3.78Å; L89-L225 HydrophobicContact CD2-CB 3.94Å; L89-L225 HydrophobicContact CD2-CD2 4.04Å; I98-L225 HydrophobicContact CG2-CD1 3.7Å; I98-L225 HydrophobicContact CG2-CD2 4.01Å; W106-L225 HydrophobicContact CH2-CD2 3.79Å; W106-L225 HydrophobicContact CH2-CG 4.4Å; W106-L225 HydrophobicContact CZ3-CD2 4.21Å; I181-L225 HydrophobicContact CG2-CD1 4.32Å; G182-L225 PolarHBondContact O-N 2.87Å; V183-L225 WeakPolarHBondContact CA-O 3.44Å; V183-L225 HydrophobicContact CG1-CB 4.44Å; V183-L225 HydrophobicContact CG2-CB 4.42Å; V183-L225 HydrophobicContact CG2-CD1 4.28Å; A184-L225 PolarHBondContact N-O 2.78Å |
| 226 | L | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 100.9 | -175.5 | -49.4 | -176.7 | 0 | 0 | 0 | 109.6 | Y86 I87 R88 L89 A184 W186 I189 L195 L217 F224 | Y86-L226 HydrophobicContact CD2-CD1 3.97Å; I87-L226 WeakPolarHBondContact O-CB 3.44Å; I87-L226 PolarHBondContact O-N 3.49Å; R88-L226 CarbonylContact C-O 3.6Å; R88-L226 WeakPolarHBondContact CA-O 3.28Å; L89-L226 PolarHBondContact N-O 3.18Å; A184-L226 HydrophobicContact CB-CD2 4Å; A184-L226 CarbonylContact O-C 3.58Å; A184-L226 WeakPolarHBondContact O-CA 3.48Å; W186-L226 HydrophobicContact CE3-CB 4.04Å; W186-L226 HydrophobicContact CE3-CD1 3.83Å; W186-L226 HydrophobicContact CZ3-CD1 3.84Å; I189-L226 HydrophobicContact CD1-CD1 4.17Å; I189-L226 HydrophobicContact CD1-CD2 3.88Å; I189-L226 HydrophobicContact CD1-CG 4.45Å; L195-L226 HydrophobicContact CD1-CD1 4.2Å; L217-L226 HydrophobicContact CD1-CD2 4.44Å; L217-L226 HydrophobicContact CD2-CD2 4Å; F224-L226 HydrophobicContact CB-CD2 3.93Å; F224-L226 HydrophobicContact CB-CG 4.37Å; F224-L226 HydrophobicContact CD1-CD2 4.27Å; F224-L226 HydrophobicContact CG-CD2 4.45Å |
| 227 | V | 95.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.2 | -170.5 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | N91 V183 A184 P185 W186 E238 L241 | N91-V227 HydrophobicContact CB-CG1 3.85Å; V183-V227 HydrophobicContact CG1-CG2 3.9Å; A184-V227 PolarHBondContact O-N 2.78Å; P185-V227 CarbonylContact C-O 3.51Å; P185-V227 WeakPolarHBondContact CA-O 3.16Å; W186-V227 PolarHBondContact N-O 2.88Å; V227-E238 HydrophobicContact CB-CB 3.9Å; V227-E238 HydrophobicContact CG2-CB 3.93Å; V227-L241 HydrophobicContact CG1-CB 4.48Å; V227-L241 HydrophobicContact CG1-CD1 4.4Å; V227-L241 HydrophobicContact CG2-CD2 4Å |
| 228 | D | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 110.2 | -172.9 | -172.8 | 11.7 | 0 | 0 | 0 | 111.2 | R17 R88 L89 N91 W186 G230 | R17-D228 PolarHBondContact N-OD2 2.89Å; R17-D228 VanDerWaalsContact O-OD2 3.1Å; R88-D228 HydrophobicContact CG-CB 4.25Å; R88-D228 IonicContact CZ-OD2 2.68Å; R88-D228 IonicContact NE-OD2 2.68Å; R88-D228 PolarHBondContact NE-OD2 3.27Å; R88-D228 IonicContact NH2-OD2 2.75Å; R88-D228 PolarHBondContact NH2-OD2 3.26Å; L89-D228 WeakPolarHBondContact O-CB 3.13Å; L89-D228 PolarHBondContact O-N 3.23Å; N91-D228 PolarHBondContact N-O 3.1Å; W186-D228 HydrophobicContact CB-CB 3.99Å; W186-D228 HydrophobicContact CG-CB 4.4Å; D228-G230 PolarHBondContact OD1-N 3.45Å |
| 229 | D | 90.5 | Very high | 88.4 | Confident | 21 Ų | 21 | 23.3 Ų | 23.3 | 11% | 0.112 | 14% | 0.144 | C | C | . | . | trans | -96.6 | 3.8 | 173.7 | 74.4 | -16.1 | 0 | 0 | 0 | 112.5 | V58 N91 T231 | V58-D229 HydrophobicContact CG1-CB 4.24Å; V58-D229 HydrophobicContact CG2-CB 4.23Å; N91-D229 HydrophobicContact CB-CB 4.23Å; D229-T231 VanDerWaalsContact C-N 3.31Å; D229-T231 VanDerWaalsContact OD1-CB 3.3Å; D229-T231 WeakPolarHBondContact OD1-CB 3.35Å; D229-T231 WeakPolarHBondContact OD1-CG2 3.47Å; D229-T231 PolarHBondContact OD1-N 3.36Å; D229-T231 PolarHBondContact OD1-OG1 2.92Å; D229-T231 WeakPolarHBondContact OD2-CG2 3.47Å; D229-T231 PolarHBondContact OD2-OG1 2.96Å | ||
| 230 | G | 86.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 79.7 | 2.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D228 | D228-G230 PolarHBondContact OD1-N 3.45Š|
| 231 | T | 86.9 | Confident | 89.1 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | trans | -88.3 | 169.2 | 173 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | C39 W56 G187 D229 K234 | C39-T231 CarbonylContact O-C 3.57Å; C39-T231 WeakPolarHBondContact O-CA 3.28Å; W56-T231 HydrophobicContact CH2-CG2 3.59Å; W56-T231 HydrophobicContact CZ2-CG2 4.48Å; W56-T231 HydrophobicContact CZ3-CG2 4.07Å; G187-T231 WeakPolarHBondContact CA-O 3.47Å; D229-T231 VanDerWaalsContact C-N 3.31Å; D229-T231 VanDerWaalsContact OD1-CB 3.3Å; D229-T231 WeakPolarHBondContact OD1-CB 3.35Å; D229-T231 WeakPolarHBondContact OD1-CG2 3.47Å; D229-T231 PolarHBondContact OD1-N 3.36Å; D229-T231 PolarHBondContact OD1-OG1 2.92Å; D229-T231 WeakPolarHBondContact OD2-CG2 3.47Å; D229-T231 PolarHBondContact OD2-OG1 2.96Å; T231-K234 HydrophobicContact CG2-CD 4.33Å | ||
| 232 | V | 85.8 | Confident | 89.2 | Confident | 51 Ų | 51 | 26 Ų | 26 | 31% | 0.309 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -136.6 | 134.5 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | C39 R41 G187 K234 | C39-V232 PolarHBondContact O-N 3.22Å; R41-V232 HydrophobicContact CG-CG2 3.81Å; G187-V232 WeakPolarHBondContact O-CA 3.32Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 3.18Å |
| 233 | G | 82 | Confident | 89.2 | Confident | 56 Ų | 56 | 27.5 Ų | 27.5 | 58% | 0.577 | 17% | 0.169 | S | C | * | . | S | Bend | trans | 74.4 | 9.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G187 | G187-G233 PolarHBondContact O-N 2.91Š|
| 234 | K | 83.6 | Confident | 88.9 | Confident | 102 Ų | 102 | 30.4 Ų | 30.4 | 44% | 0.443 | 19% | 0.185 | S | C | . | . | trans | -111.1 | 140.1 | 177.5 | -68.2 | -179 | 171.9 | 178.6 | 0 | 111.6 | C38 V188 T231 V232 | C38-K234 PolarHBondContact O-NZ 3.45Å; V188-K234 WeakPolarHBondContact CG1-O 3.27Å; T231-K234 HydrophobicContact CG2-CD 4.33Å; V232-K234 VanDerWaalsContact C-N 3.31Å; V232-K234 PolarHBondContact O-N 3.18Å | ||
| 235 | L | 83.7 | Confident | 88.7 | Confident | 44 Ų | 44 | 30.6 Ų | 30.6 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | trans | -98.7 | 162.8 | 174.8 | -69.1 | 170.9 | 0 | 0 | 0 | 110.8 | Q121 L154 P185 V188 Y215 | Q121-L235 HydrophobicContact CB-CD1 3.88Å; Q121-L235 HydrophobicContact CG-CB 4.35Å; Q121-L235 WeakPolarHBondContact O-CD1 3.47Å; L154-L235 HydrophobicContact CD1-CD2 4.16Å; P185-L235 HydrophobicContact CG-CD2 3.91Å; V188-L235 HydrophobicContact CB-CD2 4.41Å; V188-L235 HydrophobicContact CG1-CD2 3.91Å; V188-L235 HydrophobicContact CG1-CG 4.29Å; V188-L235 HydrophobicContact CG2-CD2 3.92Å; Y215-L235 HydrophobicContact CD2-CD2 4.24Å; Y215-L235 HydrophobicContact CE2-CD1 3.87Å; Y215-L235 HydrophobicContact CE2-CD2 4.13Å; Y215-L235 HydrophobicContact CE2-CG 4.33Å | ||
| 236 | G | 84.1 | Confident | 88.3 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | trans | 91.6 | -11.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E238 M239 | G236-E238 WeakPolarHBondContact CA-OE2 3.44Å; G236-E238 PolarHBondContact N-OE2 3.39Å; G236-E238 PolarHBondContact O-N 3.48Å; G236-M239 VanDerWaalsContact O-CB 3.32Å; G236-M239 WeakPolarHBondContact O-CB 3.38Å; G236-M239 PolarHBondContact O-N 2.94Å | ||
| 237 | G | 83.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 238 | E | 89.7 | Confident | 87.4 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21 | 174.4 | 78.9 | -70.9 | 176.1 | 0 | 0 | 114.2 | V183 P185 V227 G236 S240 L241 R242 | V183-E238 HydrophobicContact CG1-CB 4.28Å; P185-E238 HydrophobicContact CB-CB 4.4Å; P185-E238 WeakPolarHBondContact CB-OE2 3.29Å; P185-E238 WeakPolarHBondContact CD-OE2 3.1Å; P185-E238 VanDerWaalsContact CG-OE2 3.25Å; P185-E238 WeakPolarHBondContact CG-OE2 3.33Å; V227-E238 HydrophobicContact CB-CB 3.9Å; V227-E238 HydrophobicContact CG2-CB 3.93Å; G236-E238 WeakPolarHBondContact CA-OE2 3.44Å; G236-E238 PolarHBondContact N-OE2 3.39Å; G236-E238 PolarHBondContact O-N 3.48Å; E238-S240 PolarHBondContact O-N 3.38Å; E238-L241 PolarHBondContact O-N 3.47Å; E238-R242 PolarHBondContact O-N 3.13Å; E238-R242 VanDerWaalsContact O-N 3.12Å |
| 239 | M | 87.4 | Confident | 87.1 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 22% | 0.222 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.2 | -35.2 | -163.8 | -171.3 | 65.3 | -173.2 | 0 | 0 | 113.4 | G236 R242 I243 Y276 | G236-M239 VanDerWaalsContact O-CB 3.32Å; G236-M239 WeakPolarHBondContact O-CB 3.38Å; G236-M239 PolarHBondContact O-N 2.94Å; M239-R242 PolarHBondContact O-N 2.89Å; M239-I243 HydrophobicContact CE-CD1 3.87Å; M239-I243 HydrophobicContact CE-CG1 3.92Å; M239-I243 HydrophobicContact CG-CD1 4.04Å; M239-I243 VanDerWaalsContact O-CG1 3.29Å; M239-I243 WeakPolarHBondContact O-CG1 3.42Å; M239-I243 PolarHBondContact O-N 3.25Å; M239-Y276 HydrophobicContact CE-CD1 4.28Å; M239-Y276 HydrophobicContact CE-CD2 3.17Å; M239-Y276 HydrophobicContact CE-CE2 3.68Å; M239-Y276 HydrophobicContact CE-CG 3.52Å |
| 240 | S | 88.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 47% | 0.469 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -54.4 | 176.7 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | E238 R242 I243 D244 | E238-S240 PolarHBondContact O-N 3.38Å; S240-R242 PolarHBondContact O-N 2.9Å; S240-I243 PolarHBondContact O-N 2.94Å; S240-I243 VanDerWaalsContact O-N 3.09Å; S240-D244 PolarHBondContact O-N 2.88Å; S240-D244 VanDerWaalsContact O-OD2 3.11Å; S240-D244 PolarHBondContact OG-OD2 3.41Å |
| 241 | L | 92.3 | Very high | 86.3 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -36.2 | 179.5 | -178.8 | 142.9 | 0 | 0 | 0 | 112.1 | L89 N90 I98 V227 E238 F245 | L89-L241 HydrophobicContact CD1-CD1 3.59Å; L89-L241 HydrophobicContact CD1-CD2 4.14Å; N90-L241 WeakPolarHBondContact O-CD1 3.39Å; I98-L241 HydrophobicContact CD1-CD1 4.21Å; I98-L241 HydrophobicContact CD1-CD2 3.78Å; I98-L241 HydrophobicContact CD1-CG 4.14Å; V227-L241 HydrophobicContact CG1-CB 4.48Å; V227-L241 HydrophobicContact CG1-CD1 4.4Å; V227-L241 HydrophobicContact CG2-CD2 4Å; E238-L241 PolarHBondContact O-N 3.47Å; L241-F245 VanDerWaalsContact O-CB 3.27Å; L241-F245 WeakPolarHBondContact O-CB 3.48Å; L241-F245 PolarHBondContact O-N 3.36Å |
| 242 | R | 91.1 | Very high | 85.8 | Confident | 15 Ų | 15 | 45 Ų | 45 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 174.5 | -179 | 171.9 | 177.4 | 177.6 | 0.7 | 112.2 | S116 I117 H118 F150 V183 E238 M239 S240 F245 E246 | S116-R242 PolarHBondContact OG-NE 2.91Å; S116-R242 PolarHBondContact OG-NH2 2.64Å; I117-R242 PolarHBondContact O-NH1 3.42Å; I117-R242 PolarHBondContact O-NH2 3.33Å; H118-R242 PolarHBondContact CE1-NE 3.41Å; H118-R242 VanDerWaalsContact CE1-NE 3.29Å; H118-R242 PolarHBondContact NE2-NE 3.39Å; H118-R242 PolarHBondContact NE2-NH2 3.14Å; H118-R242 VanDerWaalsContact NE2-NH2 3.16Å; F150-R242 PolarHBondContact O-NH2 3.22Å; V183-R242 HydrophobicContact CG1-CB 4.37Å; E238-R242 PolarHBondContact O-N 3.13Å; E238-R242 VanDerWaalsContact O-N 3.12Å; M239-R242 PolarHBondContact O-N 2.89Å; S240-R242 PolarHBondContact O-N 2.9Å; R242-F245 PolarHBondContact O-N 3.46Å; R242-E246 WeakPolarHBondContact CG-OE1 3.41Å; R242-E246 IonicContact CZ-OE1 2.83Å; R242-E246 IonicContact NE-OE1 3.37Å; R242-E246 PolarHBondContact NE-OE1 3.09Å; R242-E246 WeakPolarHBondContact O-CB 3.42Å; R242-E246 WeakPolarHBondContact O-CG 3.38Å; R242-E246 PolarHBondContact O-N 3.35Å |
| 243 | I | 87 | Confident | 85 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 35% | 0.354 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -46.3 | 176.1 | -67.7 | 163 | 0 | 0 | 0 | 110.5 | M239 S240 F245 E246 G247 Y276 | M239-I243 HydrophobicContact CE-CD1 3.87Å; M239-I243 HydrophobicContact CE-CG1 3.92Å; M239-I243 HydrophobicContact CG-CD1 4.04Å; M239-I243 VanDerWaalsContact O-CG1 3.29Å; M239-I243 WeakPolarHBondContact O-CG1 3.42Å; M239-I243 PolarHBondContact O-N 3.25Å; S240-I243 PolarHBondContact O-N 2.94Å; S240-I243 VanDerWaalsContact O-N 3.09Å; I243-F245 PolarHBondContact O-N 3.37Å; I243-E246 PolarHBondContact O-N 3.13Å; I243-G247 PolarHBondContact O-N 3.36Å; I243-Y276 HydrophobicContact CD1-CD2 4.12Å; I243-Y276 HydrophobicContact CG1-CD2 3.98Å; I243-Y276 HydrophobicContact CG1-CE2 4.02Å |
| 244 | D | 88.7 | Confident | 84 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.9 | -38.9 | -179.4 | -68.6 | -43.9 | 0 | 0 | 0 | 111.9 | P95 S240 Y248 | P95-D244 HydrophobicContact CG-CB 4.03Å; S240-D244 PolarHBondContact O-N 2.88Å; S240-D244 VanDerWaalsContact O-OD2 3.11Å; S240-D244 PolarHBondContact OG-OD2 3.41Å; D244-Y248 VanDerWaalsContact O-CB 3.28Å; D244-Y248 WeakPolarHBondContact O-CB 3.44Å; D244-Y248 PolarHBondContact O-N 3.28Å |
| 245 | F | 90.9 | Very high | 82.6 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -43.8 | 175.9 | -172.2 | -129.2 | 0 | 0 | 0 | 112.7 | P95 I98 L99 M102 F150 L241 R242 I243 G247 Y248 L249 | P95-F245 HydrophobicContact CB-CD2 3.98Å; P95-F245 WeakPolarHBondContact O-CE2 3.16Å; I98-F245 HydrophobicContact CB-CD2 4.02Å; I98-F245 HydrophobicContact CB-CE2 3.69Å; I98-F245 HydrophobicContact CB-CZ 4.05Å; I98-F245 HydrophobicContact CD1-CD2 4.32Å; I98-F245 HydrophobicContact CD1-CG 4.41Å; I98-F245 HydrophobicContact CG2-CD1 4.32Å; I98-F245 HydrophobicContact CG2-CD2 4.17Å; I98-F245 HydrophobicContact CG2-CE1 3.84Å; I98-F245 HydrophobicContact CG2-CE2 3.7Å; I98-F245 HydrophobicContact CG2-CG 4.48Å; I98-F245 HydrophobicContact CG2-CZ 3.52Å; L99-F245 HydrophobicContact CB-CE2 4.19Å; M102-F245 HydrophobicContact SD-CE1 4.07Å; M102-F245 HydrophobicContact SD-CZ 3.79Å; F150-F245 AromaticContact CE1-CD1 4Å; F150-F245 HydrophobicContact CE1-CD1 4Å; F150-F245 AromaticContact CE1-CE1 3.72Å; F150-F245 HydrophobicContact CE1-CE1 3.72Å; F150-F245 HydrophobicContact CZ-CD1 4.12Å; F150-F245 AromaticContact CZ-CE1 3.63Å; F150-F245 HydrophobicContact CZ-CE1 3.63Å; L241-F245 VanDerWaalsContact O-CB 3.27Å; L241-F245 WeakPolarHBondContact O-CB 3.48Å; L241-F245 PolarHBondContact O-N 3.36Å; R242-F245 PolarHBondContact O-N 3.46Å; I243-F245 PolarHBondContact O-N 3.37Å; F245-G247 PolarHBondContact O-N 3.47Å; F245-Y248 PolarHBondContact O-N 3.3Å; F245-L249 HydrophobicContact CD1-CD1 4.2Å; F245-L249 HydrophobicContact CD2-CG 4.45Å; F245-L249 HydrophobicContact CE1-CD1 3.98Å; F245-L249 HydrophobicContact CE2-CD2 4.23Å; F245-L249 HydrophobicContact CE2-CG 4.22Å; F245-L249 HydrophobicContact CZ-CD1 4.14Å; F245-L249 HydrophobicContact CZ-CD2 4.18Å; F245-L249 HydrophobicContact CZ-CG 4.26Å; F245-L249 WeakPolarHBondContact O-CG 3.42Å; F245-L249 PolarHBondContact O-N 2.88Å |
| 246 | E | 88 | Confident | 81.1 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 173.6 | -76.7 | 173.6 | -154 | 0 | 0 | 111.6 | S116 H118 R242 I243 L249 R250 L262 Y276 | S116-E246 WeakPolarHBondContact CB-OE1 3.39Å; S116-E246 VanDerWaalsContact OG-CD 3.23Å; S116-E246 PolarHBondContact OG-OE1 3.01Å; H118-E246 IonicContact NE2-OE1 2.76Å; H118-E246 IonicContact NE2-OE2 3.57Å; R242-E246 WeakPolarHBondContact CG-OE1 3.41Å; R242-E246 IonicContact CZ-OE1 2.83Å; R242-E246 IonicContact NE-OE1 3.37Å; R242-E246 PolarHBondContact NE-OE1 3.09Å; R242-E246 WeakPolarHBondContact O-CB 3.42Å; R242-E246 WeakPolarHBondContact O-CG 3.38Å; R242-E246 PolarHBondContact O-N 3.35Å; I243-E246 PolarHBondContact O-N 3.13Å; E246-L249 PolarHBondContact O-N 3.09Å; E246-R250 PolarHBondContact O-N 3Å; E246-R250 VanDerWaalsContact O-N 3.13Å; E246-L262 HydrophobicContact CB-CD2 4.08Å; E246-L262 WeakPolarHBondContact O-CD2 3.35Å; E246-Y276 PolarHBondContact OE2-OH 3.36Å; E246-Y276 VanDerWaalsContact OE2-OH 3.05Å |
| 247 | G | 84.9 | Confident | 79.6 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I243 F245 R250 K251 | I243-G247 PolarHBondContact O-N 3.36Å; F245-G247 PolarHBondContact O-N 3.47Å; G247-R250 PolarHBondContact O-N 3.17Å; G247-K251 WeakPolarHBondContact O-CB 3.48Å; G247-K251 WeakPolarHBondContact O-CG 3.45Å; G247-K251 PolarHBondContact O-N 2.79Å |
| 248 | Y | 87.7 | Confident | 78.4 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -47 | 176.5 | -174.8 | -83.9 | 0 | 0 | 0 | 112.1 | P95 K96 L99 D244 F245 R250 K251 N252 | P95-Y248 VanDerWaalsContact CB-CB 3.42Å; P95-Y248 HydrophobicContact CB-CD1 4.08Å; P95-Y248 HydrophobicContact CB-CD2 3.72Å; P95-Y248 HydrophobicContact CB-CG 3.48Å; P95-Y248 VanDerWaalsContact CB-CG 3.48Å; K96-Y248 HydrophobicContact CB-CE2 4.1Å; K96-Y248 WeakPolarHBondContact CB-OH 3.26Å; K96-Y248 WeakPolarHBondContact CG-OH 3.24Å; L99-Y248 HydrophobicContact CD2-CE1 3.93Å; D244-Y248 VanDerWaalsContact O-CB 3.28Å; D244-Y248 WeakPolarHBondContact O-CB 3.44Å; D244-Y248 PolarHBondContact O-N 3.28Å; F245-Y248 PolarHBondContact O-N 3.3Å; Y248-R250 VanDerWaalsContact C-N 3.31Å; Y248-R250 PolarHBondContact O-N 3.24Å; Y248-K251 PolarHBondContact O-N 2.82Å; Y248-N252 HydrophobicContact CD1-CB 4.31Å; Y248-N252 VanDerWaalsContact CD2-ND2 3.26Å; Y248-N252 WeakPolarHBondContact CD2-ND2 3.4Å; Y248-N252 HydrophobicContact CE1-CB 3.96Å; Y248-N252 HydrophobicContact CE2-CB 4.45Å; Y248-N252 WeakPolarHBondContact CE2-ND2 3.25Å; Y248-N252 WeakPolarHBondContact O-CB 3.4Å; Y248-N252 PolarHBondContact O-N 2.81Å |
| 249 | L | 86.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.2 | -49.5 | 175.9 | -73.2 | 172.6 | 0 | 0 | 0 | 110.2 | L99 W148 F150 F245 E246 K251 F253 | L99-L249 HydrophobicContact CD1-CD2 3.99Å; W148-L249 HydrophobicContact CZ3-CD2 4.32Å; F150-L249 HydrophobicContact CE2-CD1 4.08Å; F150-L249 HydrophobicContact CZ-CD1 4.05Å; F245-L249 HydrophobicContact CD1-CD1 4.2Å; F245-L249 HydrophobicContact CD2-CG 4.45Å; F245-L249 HydrophobicContact CE1-CD1 3.98Å; F245-L249 HydrophobicContact CE2-CD2 4.23Å; F245-L249 HydrophobicContact CE2-CG 4.22Å; F245-L249 HydrophobicContact CZ-CD1 4.14Å; F245-L249 HydrophobicContact CZ-CD2 4.18Å; F245-L249 HydrophobicContact CZ-CG 4.26Å; F245-L249 WeakPolarHBondContact O-CG 3.42Å; F245-L249 PolarHBondContact O-N 2.88Å; E246-L249 PolarHBondContact O-N 3.09Å; L249-K251 PolarHBondContact O-N 2.98Å; L249-F253 HydrophobicContact CD2-CD2 3.77Å; L249-F253 HydrophobicContact CD2-CE2 4.42Å; L249-F253 WeakPolarHBondContact O-CB 3.15Å; L249-F253 PolarHBondContact O-N 2.89Å |
| 250 | R | 79.7 | Confident | 76.9 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.8 | -33.3 | -179.6 | -175.7 | 164.5 | 175.1 | 159.3 | -11.5 | 114 | E246 G247 Y248 K259 L262 P285 R286 | E246-R250 PolarHBondContact O-N 3Å; E246-R250 VanDerWaalsContact O-N 3.13Å; G247-R250 PolarHBondContact O-N 3.17Å; Y248-R250 VanDerWaalsContact C-N 3.31Å; Y248-R250 PolarHBondContact O-N 3.24Å; R250-K259 WeakPolarHBondContact O-CD 3.35Å; R250-K259 PolarHBondContact O-NZ 2.96Å; R250-L262 HydrophobicContact CB-CD2 4.06Å; R250-P285 HydrophobicContact CB-CG 4.28Å; R250-P285 HydrophobicContact CG-CB 4.35Å; R250-P285 HydrophobicContact CG-CG 3.76Å; R250-R286 PolarHBondContact NH1-O 3.08Å; R250-R286 PolarHBondContact NH2-O 2.79Å |
| 251 | K | 80.1 | Confident | 76.6 | Confident | 113 Ų | 113 | 65.3 Ų | 65.3 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73.7 | -49.7 | 176.2 | -74.4 | 178.1 | -177.2 | 178.6 | 0 | 111.5 | G247 Y248 L249 K259 P285 | G247-K251 WeakPolarHBondContact O-CB 3.48Å; G247-K251 WeakPolarHBondContact O-CG 3.45Å; G247-K251 PolarHBondContact O-N 2.79Å; Y248-K251 PolarHBondContact O-N 2.82Å; L249-K251 PolarHBondContact O-N 2.98Å; K251-K259 PolarHBondContact O-NZ 3.21Å; K251-P285 HydrophobicContact CG-CG 4.26Å |
| 252 | N | 75.7 | Confident | 76.3 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -112.4 | -17.2 | -158.4 | -62.9 | -31.7 | 0 | 0 | 0 | 115.6 | Y248 K254 | Y248-N252 HydrophobicContact CD1-CB 4.31Å; Y248-N252 VanDerWaalsContact CD2-ND2 3.26Å; Y248-N252 WeakPolarHBondContact CD2-ND2 3.4Å; Y248-N252 HydrophobicContact CE1-CB 3.96Å; Y248-N252 HydrophobicContact CE2-CB 4.45Å; Y248-N252 WeakPolarHBondContact CE2-ND2 3.25Å; Y248-N252 WeakPolarHBondContact O-CB 3.4Å; Y248-N252 PolarHBondContact O-N 2.81Å; N252-K254 PolarHBondContact O-N 3.39Å; N252-K254 VanDerWaalsContact O-N 3.13Å |
| 253 | F | 70 | Confident | 76.2 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -70.5 | 111.3 | -178.7 | -160.7 | -74.6 | 0 | 0 | 0 | 110.9 | L99 P110 P111 W148 L249 L255 P260 | L99-F253 HydrophobicContact CD1-CD2 3.84Å; L99-F253 HydrophobicContact CD1-CE2 3.73Å; L99-F253 HydrophobicContact CD2-CD2 4.19Å; P110-F253 HydrophobicContact CB-CE1 4.19Å; P110-F253 HydrophobicContact CB-CZ 3.75Å; P111-F253 VanDerWaalsContact CD-CZ 3.48Å; P111-F253 HydrophobicContact CG-CZ 4.33Å; W148-F253 HydrophobicContact CH2-CE2 4.26Å; L249-F253 HydrophobicContact CD2-CD2 3.77Å; L249-F253 HydrophobicContact CD2-CE2 4.42Å; L249-F253 WeakPolarHBondContact O-CB 3.15Å; L249-F253 PolarHBondContact O-N 2.89Å; F253-L255 HydrophobicContact CE1-CB 4.02Å; F253-P260 HydrophobicContact CB-CG 4.45Å; F253-P260 HydrophobicContact CD1-CG 3.76Å; F253-P260 HydrophobicContact CE1-CG 4.23Å; F253-P260 HydrophobicContact CG-CG 4.19Å | ||
| 254 | K | 61.8 | Low | 76.3 | Confident | 174 Ų | 174 | 63 Ų | 63 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | trans | -116.6 | 117.2 | 175 | -68.5 | -178.4 | 179 | 180 | 0 | 109.6 | N252 | N252-K254 PolarHBondContact O-N 3.39Å; N252-K254 VanDerWaalsContact O-N 3.13Å | ||
| 255 | L | 52.7 | Low | 76.4 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 41% | 0.414 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 113.5 | 169.7 | -163.3 | 83.9 | 0 | 0 | 0 | 109 | P110 F253 N257 K258 | P110-L255 HydrophobicContact CB-CD1 3.88Å; P110-L255 HydrophobicContact CB-CD2 3.84Å; P110-L255 HydrophobicContact CB-CG 4.44Å; P110-L255 HydrophobicContact CG-CD1 3.82Å; P110-L255 HydrophobicContact CG-CD2 3.65Å; P110-L255 HydrophobicContact CG-CG 4.4Å; F253-L255 HydrophobicContact CE1-CB 4.02Å; L255-N257 VanDerWaalsContact C-N 3.34Å; L255-N257 PolarHBondContact O-N 2.92Å; L255-K258 PolarHBondContact N-O 3.23Å; L255-K258 PolarHBondContact O-N 3.25Å; L255-K258 VanDerWaalsContact O-O 3.12Å |
| 256 | V | 53.4 | Low | 76.4 | Confident | 139 Ų | 139 | 60 Ų | 60 | 84% | 0.842 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.6 | 59.8 | 176.8 | -165.1 | 0 | 0 | 0 | 0 | 112.4 | K258 | V256-K258 VanDerWaalsContact C-N 3.29Å; V256-K258 PolarHBondContact O-N 3.46Å |
| 257 | N | 52.7 | Low | 76.5 | Confident | 169 Ų | 169 | 60 Ų | 60 | 90% | 0.904 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 12.7 | 179 | -61.5 | -13.7 | 0 | 0 | 0 | 117.7 | L255 | L255-N257 VanDerWaalsContact C-N 3.34Å; L255-N257 PolarHBondContact O-N 2.92Å |
| 258 | K | 58.6 | Low | 76.7 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 153 | 167.1 | -67 | -163.2 | 173.1 | -164.2 | 0 | 112.9 | L255 V256 | L255-K258 PolarHBondContact N-O 3.23Å; L255-K258 PolarHBondContact O-N 3.25Å; L255-K258 VanDerWaalsContact O-O 3.12Å; V256-K258 VanDerWaalsContact C-N 3.29Å; V256-K258 PolarHBondContact O-N 3.46Å |
| 259 | K | 70.1 | Confident | 76.7 | Confident | 116 Ų | 116 | 56.8 Ų | 56.8 | 50% | 0.504 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -99 | 137.2 | 168.2 | -54.4 | -163.5 | -172.9 | -170.4 | 0 | 108.3 | R250 K251 | R250-K259 WeakPolarHBondContact O-CD 3.35Å; R250-K259 PolarHBondContact O-NZ 2.96Å; K251-K259 PolarHBondContact O-NZ 3.21Å |
| 260 | P | 75.4 | Confident | 76.7 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 132.8 | 172.6 | 27.9 | -33.3 | 0 | 0 | 0 | 109.4 | P111 V114 F253 L262 | P111-P260 HydrophobicContact CG-CB 4.22Å; P111-P260 HydrophobicContact CG-CG 4.2Å; V114-P260 HydrophobicContact CG2-CB 4.35Å; V114-P260 HydrophobicContact CG2-CG 4.41Å; F253-P260 HydrophobicContact CB-CG 4.45Å; F253-P260 HydrophobicContact CD1-CG 3.76Å; F253-P260 HydrophobicContact CE1-CG 4.23Å; F253-P260 HydrophobicContact CG-CG 4.19Å; P260-L262 PolarHBondContact O-N 3.13Å |
| 261 | P | 80.4 | Confident | 77.1 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 137.7 | 170.4 | 23.5 | -31.6 | 0 | 0 | 0 | 110 | G112 L113 V114 | G112-P261 WeakPolarHBondContact O-CD 3.25Å; L113-P261 HydrophobicContact CD1-CB 4.27Å; L113-P261 HydrophobicContact CD1-CG 3.84Å; V114-P261 PolarHBondContact N-O 2.97Å |
| 262 | L | 87.4 | Confident | 77.5 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.5 | 173.4 | 171.5 | 65.2 | 0 | 0 | 0 | 108.3 | V114 E246 R250 P260 I287 P288 | V114-L262 HydrophobicContact CB-CD1 3.79Å; V114-L262 HydrophobicContact CG1-CD1 3.53Å; V114-L262 WeakPolarHBondContact O-CA 3.39Å; E246-L262 HydrophobicContact CB-CD2 4.08Å; E246-L262 WeakPolarHBondContact O-CD2 3.35Å; R250-L262 HydrophobicContact CB-CD2 4.06Å; P260-L262 PolarHBondContact O-N 3.13Å; L262-I287 HydrophobicContact CD2-CD1 3.74Å; L262-I287 HydrophobicContact CD2-CG1 4.12Å; L262-I287 HydrophobicContact CD2-CG2 4.46Å; L262-I287 HydrophobicContact CG-CG2 4.18Å; L262-P288 WeakPolarHBondContact O-CD 3.25Å; L262-P288 WeakPolarHBondContact O-CG 3.48Å |
| 263 | V | 88.5 | Confident | 78.1 | Confident | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.5 | 178.3 | -178 | 0 | 0 | 0 | 0 | 108.9 | L113 V114 I115 S116 P288 V290 | L113-V263 HydrophobicContact CD1-CG2 4.08Å; V114-V263 PolarHBondContact O-N 2.8Å; I115-V263 WeakPolarHBondContact CA-O 3.45Å; S116-V263 PolarHBondContact N-O 3.04Å; V263-P288 HydrophobicContact CG2-CG 4.29Å; V263-V290 HydrophobicContact CG1-CG2 3.84Å |
| 264 | S | 89.8 | Confident | 79 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143.7 | 172.6 | -167.9 | 0 | 0 | 0 | 0 | 110.5 | S116 Y276 P288 M289 V290 | S116-S264 CarbonylContact O-C 3.55Å; S116-S264 WeakPolarHBondContact O-CA 3.49Å; S264-Y276 WeakPolarHBondContact OG-CE1 3.35Å; S264-Y276 PolarHBondContact OG-OH 2.97Å; S264-P288 PolarHBondContact N-O 3.36Å; S264-M289 CarbonylContact O-C 3.45Å; S264-M289 WeakPolarHBondContact O-CA 3.47Å; S264-V290 PolarHBondContact O-N 2.78Å |
| 265 | V | 90.6 | Very high | 80.3 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 117.8 | -175.7 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | I115 S116 H118 I267 V290 | I115-V265 HydrophobicContact CG2-CG2 3.7Å; S116-V265 PolarHBondContact O-N 2.93Å; H118-V265 PolarHBondContact N-O 3.05Å; V265-I267 HydrophobicContact CG1-CD1 4.27Å; V265-I267 HydrophobicContact CG1-CG1 4.19Å; V265-V290 CarbonylContact C-O 3.52Å; V265-V290 VanDerWaalsContact CA-O 3.32Å; V265-V290 WeakPolarHBondContact CA-O 3.45Å; V265-V290 HydrophobicContact CG1-CB 4.42Å; V265-V290 HydrophobicContact CG2-CB 4.34Å |
| 266 | I | 90.9 | Very high | 82 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.4 | 179 | -66.2 | -178.5 | 0 | 0 | 0 | 109.7 | H118 T273 A277 M289 V290 C292 | H118-I266 HydrophobicContact CB-CG1 4.46Å; I266-T273 HydrophobicContact CD1-CG2 4.06Å; I266-T273 HydrophobicContact CG1-CG2 4.27Å; I266-T273 HydrophobicContact CG2-CG2 3.69Å; I266-A277 HydrophobicContact CD1-CB 3.66Å; I266-M289 HydrophobicContact CD1-CE 4.39Å; I266-M289 HydrophobicContact CD1-CG 4.23Å; I266-M289 HydrophobicContact CD1-SD 3.37Å; I266-M289 WeakPolarHBondContact CD1-SD 3.48Å; I266-M289 HydrophobicContact CG1-CG 4.38Å; I266-M289 HydrophobicContact CG1-SD 4.11Å; I266-V290 PolarHBondContact N-O 2.77Å; I266-C292 WeakPolarHBondContact O-CB 3.27Å; I266-C292 PolarHBondContact O-N 3.41Å |
| 267 | I | 90.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -131.2 | 124.5 | 176.9 | -55.7 | 162.1 | 0 | 0 | 0 | 107.5 | I117 H118 Q119 L126 I134 V158 V265 C292 | I117-I267 HydrophobicContact CG2-CD1 3.92Å; H118-I267 PolarHBondContact O-N 3.4Å; H118-I267 VanDerWaalsContact O-N 3.07Å; Q119-I267 WeakPolarHBondContact CA-O 3.38Å; L126-I267 HydrophobicContact CD1-CG2 3.95Å; I134-I267 HydrophobicContact CD1-CD1 3.9Å; I134-I267 HydrophobicContact CD1-CG1 4.33Å; I134-I267 HydrophobicContact CD1-CG2 4.38Å; I134-I267 HydrophobicContact CG2-CD1 4.4Å; V158-I267 HydrophobicContact CB-CD1 4.45Å; V158-I267 HydrophobicContact CG1-CD1 3.7Å; V158-I267 HydrophobicContact CG2-CB 3.64Å; V158-I267 HydrophobicContact CG2-CD1 3.88Å; V158-I267 HydrophobicContact CG2-CG1 4.37Å; V158-I267 HydrophobicContact CG2-CG2 3.51Å; V265-I267 HydrophobicContact CG1-CD1 4.27Å; V265-I267 HydrophobicContact CG1-CG1 4.19Å; I267-C292 HydrophobicContact CB-CB 4.3Å; I267-C292 HydrophobicContact CG1-CB 3.71Å; I267-C292 HydrophobicContact CG2-CB 4.41Å | ||
| 268 | N | 88.8 | Confident | 85.3 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 55.2 | -139 | -164.3 | -159.4 | -81.4 | 0 | 0 | 0 | 110.9 | F124 S295 G296 R297 S299 | F124-N268 HydrophobicContact CD1-CB 4.17Å; F124-N268 HydrophobicContact CD2-CB 3.87Å; F124-N268 HydrophobicContact CE1-CB 3.78Å; F124-N268 HydrophobicContact CE2-CB 3.44Å; F124-N268 VanDerWaalsContact CE2-CB 3.44Å; F124-N268 HydrophobicContact CG-CB 4.21Å; F124-N268 HydrophobicContact CZ-CB 3.37Å; N268-S295 WeakPolarHBondContact CB-O 3.27Å; N268-S295 PolarHBondContact N-OG 2.9Å; N268-S295 PolarHBondContact ND2-O 3.21Å; N268-G296 CarbonylContact C-O 3.49Å; N268-G296 WeakPolarHBondContact CA-O 3.44Å; N268-R297 WeakPolarHBondContact OD1-CD 3.29Å; N268-S299 WeakPolarHBondContact CA-OG 3.31Å; N268-S299 PolarHBondContact N-OG 2.67Å; N268-S299 VanDerWaalsContact O-CB 3.29Å; N268-S299 WeakPolarHBondContact O-CB 3.29Å; N268-S299 PolarHBondContact O-N 2.96Å |
| 269 | G | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 129.5 | 165.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T273 R297 A298 | G269-T273 WeakPolarHBondContact CA-OG1 3.41Å; G269-R297 WeakPolarHBondContact O-CB 3.29Å; G269-R297 WeakPolarHBondContact O-CD 3.28Å; G269-A298 PolarHBondContact O-N 2.88Å | ||
| 270 | D | 87.5 | Confident | 87.1 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | trans | -122.9 | -169.7 | 179.2 | 51.3 | 25.9 | 0 | 0 | 0 | 110.9 | G120 Q121 D272 T273 I274 | G120-D270 WeakPolarHBondContact CA-OD2 3.3Å; Q121-D270 PolarHBondContact N-OD2 3.32Å; D270-D272 VanDerWaalsContact C-N 3.34Å; D270-D272 PolarHBondContact O-N 3.24Å; D270-D272 PolarHBondContact OD1-N 3.2Å; D270-T273 PolarHBondContact N-OG1 3.09Å; D270-T273 VanDerWaalsContact N-OG1 3.12Å; D270-T273 VanDerWaalsContact O-CB 3.31Å; D270-T273 WeakPolarHBondContact O-CB 3.39Å; D270-T273 PolarHBondContact O-N 2.88Å; D270-T273 WeakPolarHBondContact OD1-CB 3.14Å; D270-T273 PolarHBondContact OD1-N 3.11Å; D270-T273 PolarHBondContact OD1-OG1 3.45Å; D270-I274 PolarHBondContact O-N 3.27Å | ||
| 271 | E | 88.2 | Confident | 87.4 | Confident | 125 Ų | 125 | 43.9 Ų | 43.9 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.9 | -40.6 | -179.5 | -162.1 | -167.9 | 174 | 0 | 0 | 112.3 | T273 I274 R275 | E271-T273 VanDerWaalsContact C-N 3.29Å; E271-T273 PolarHBondContact O-N 2.87Å; E271-I274 WeakPolarHBondContact O-CB 3.28Å; E271-I274 PolarHBondContact O-N 3.41Å; E271-R275 VanDerWaalsContact CD-CZ 3.43Å; E271-R275 WeakPolarHBondContact O-CG 3.49Å; E271-R275 PolarHBondContact O-N 3.33Å; E271-R275 IonicContact OE1-CZ 3.46Å; E271-R275 IonicContact OE1-NE 2.81Å; E271-R275 IonicContact OE1-NH2 3.47Å; E271-R275 PolarHBondContact OE1-NH2 3.29Å; E271-R275 IonicContact OE2-CZ 3.95Å; E271-R275 IonicContact OE2-NH1 2.66Å; E271-R275 IonicContact OE2-NH2 3.36Å; E271-R275 PolarHBondContact OE2-NH2 2.93Å |
| 272 | D | 86.7 | Confident | 87.4 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.6 | -32.9 | 177.1 | -69.4 | -38.4 | 0 | 0 | 0 | 111.9 | Q121 D270 I274 R275 Y276 | Q121-D272 PolarHBondContact NE2-OD2 3.46Å; D270-D272 VanDerWaalsContact C-N 3.34Å; D270-D272 PolarHBondContact O-N 3.24Å; D270-D272 PolarHBondContact OD1-N 3.2Å; D272-I274 VanDerWaalsContact C-N 3.29Å; D272-I274 PolarHBondContact O-N 3.03Å; D272-R275 PolarHBondContact O-N 3.41Å; D272-R275 IonicContact OD1-CZ 3.58Å; D272-R275 IonicContact OD1-NH1 3.54Å; D272-R275 PolarHBondContact OD1-NH1 3.5Å; D272-Y276 WeakPolarHBondContact O-CB 3.4Å; D272-Y276 PolarHBondContact O-N 3.07Å |
| 273 | T | 89.2 | Confident | 86.8 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 170.1 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | I266 G269 D270 E271 A277 | I266-T273 HydrophobicContact CD1-CG2 4.06Å; I266-T273 HydrophobicContact CG1-CG2 4.27Å; I266-T273 HydrophobicContact CG2-CG2 3.69Å; G269-T273 WeakPolarHBondContact CA-OG1 3.41Å; D270-T273 PolarHBondContact N-OG1 3.09Å; D270-T273 VanDerWaalsContact N-OG1 3.12Å; D270-T273 VanDerWaalsContact O-CB 3.31Å; D270-T273 WeakPolarHBondContact O-CB 3.39Å; D270-T273 PolarHBondContact O-N 2.88Å; D270-T273 WeakPolarHBondContact OD1-CB 3.14Å; D270-T273 PolarHBondContact OD1-N 3.11Å; D270-T273 PolarHBondContact OD1-OG1 3.45Å; E271-T273 VanDerWaalsContact C-N 3.29Å; E271-T273 PolarHBondContact O-N 2.87Å; T273-A277 WeakPolarHBondContact O-CB 3.22Å; T273-A277 PolarHBondContact O-N 2.79Å |
| 274 | I | 89.3 | Confident | 85.8 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.2 | -40.6 | 175.5 | -59.3 | 172.5 | 0 | 0 | 0 | 111.1 | D270 E271 D272 A277 Y278 A298 I302 | D270-I274 PolarHBondContact O-N 3.27Å; E271-I274 WeakPolarHBondContact O-CB 3.28Å; E271-I274 PolarHBondContact O-N 3.41Å; D272-I274 VanDerWaalsContact C-N 3.29Å; D272-I274 PolarHBondContact O-N 3.03Å; I274-A277 WeakPolarHBondContact O-CB 3.34Å; I274-A277 PolarHBondContact O-N 2.88Å; I274-Y278 PolarHBondContact O-N 3.17Å; I274-A298 HydrophobicContact CD1-CB 3.92Å; I274-A298 HydrophobicContact CG1-CB 3.61Å; I274-I302 HydrophobicContact CG1-CD1 4.42Å |
| 275 | R | 88.3 | Confident | 84.7 | Confident | 121 Ų | 121 | 54.6 Ų | 54.6 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.3 | -66.3 | 171.7 | -176.3 | 153.1 | -3.8 | 111.7 | E271 D272 Y278 N279 | E271-R275 VanDerWaalsContact CD-CZ 3.43Å; E271-R275 WeakPolarHBondContact O-CG 3.49Å; E271-R275 PolarHBondContact O-N 3.33Å; E271-R275 IonicContact OE1-CZ 3.46Å; E271-R275 IonicContact OE1-NE 2.81Å; E271-R275 IonicContact OE1-NH2 3.47Å; E271-R275 PolarHBondContact OE1-NH2 3.29Å; E271-R275 IonicContact OE2-CZ 3.95Å; E271-R275 IonicContact OE2-NH1 2.66Å; E271-R275 IonicContact OE2-NH2 3.36Å; E271-R275 PolarHBondContact OE2-NH2 2.93Å; D272-R275 PolarHBondContact O-N 3.41Å; D272-R275 IonicContact OD1-CZ 3.58Å; D272-R275 IonicContact OD1-NH1 3.54Å; D272-R275 PolarHBondContact OD1-NH1 3.5Å; R275-Y278 PolarHBondContact O-N 3.34Å; R275-N279 PolarHBondContact O-N 2.98Å |
| 276 | Y | 87.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 172.2 | 168 | -99.1 | 0 | 0 | 0 | 111.9 | H118 M239 I243 E246 S264 D272 Y278 N279 C280 | H118-Y276 HydrophobicContact CB-CD1 4.5Å; H118-Y276 HydrophobicContact CB-CE1 4.23Å; H118-Y276 AromaticContact CD2-CE1 3.51Å; H118-Y276 AromaticContact CD2-CZ 3.62Å; H118-Y276 PolarHBondContact CD2-OH 2.86Å; H118-Y276 AromaticContact CE1-CE1 3.84Å; H118-Y276 AromaticContact CE1-CE2 3.82Å; H118-Y276 AromaticContact CE1-CZ 3.49Å; H118-Y276 VanDerWaalsContact CE1-CZ 3.49Å; H118-Y276 AromaticContact CG-CE1 3.55Å; H118-Y276 AromaticContact CG-CZ 3.97Å; H118-Y276 AromaticContact ND1-CE1 3.76Å; H118-Y276 AromaticContact ND1-CZ 3.9Å; H118-Y276 AromaticContact NE2-CE1 3.74Å; H118-Y276 AromaticContact NE2-CZ 3.33Å; H118-Y276 VanDerWaalsContact NE2-CZ 3.33Å; H118-Y276 PolarHBondContact NE2-OH 2.87Å; M239-Y276 HydrophobicContact CE-CD1 4.28Å; M239-Y276 HydrophobicContact CE-CD2 3.17Å; M239-Y276 HydrophobicContact CE-CE2 3.68Å; M239-Y276 HydrophobicContact CE-CG 3.52Å; I243-Y276 HydrophobicContact CD1-CD2 4.12Å; I243-Y276 HydrophobicContact CG1-CD2 3.98Å; I243-Y276 HydrophobicContact CG1-CE2 4.02Å; E246-Y276 PolarHBondContact OE2-OH 3.36Å; E246-Y276 VanDerWaalsContact OE2-OH 3.05Å; S264-Y276 WeakPolarHBondContact OG-CE1 3.35Å; S264-Y276 PolarHBondContact OG-OH 2.97Å; D272-Y276 WeakPolarHBondContact O-CB 3.4Å; D272-Y276 PolarHBondContact O-N 3.07Å; Y276-Y278 PolarHBondContact O-N 2.74Å; Y276-N279 PolarHBondContact O-N 3.15Å; Y276-C280 WeakPolarHBondContact CE2-SG 3.43Å; Y276-C280 WeakPolarHBondContact O-CB 3.29Å; Y276-C280 PolarHBondContact O-N 2.96Å; Y276-C280 PolarHBondContact O-SG 3.49Å; Y276-C280 VanDerWaalsContact O-SG 3.38Å |
| 277 | A | 88.7 | Confident | 83.7 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I266 T273 I274 C280 V281 M289 I302 | I266-A277 HydrophobicContact CD1-CB 3.66Å; T273-A277 WeakPolarHBondContact O-CB 3.22Å; T273-A277 PolarHBondContact O-N 2.79Å; I274-A277 WeakPolarHBondContact O-CB 3.34Å; I274-A277 PolarHBondContact O-N 2.88Å; A277-C280 PolarHBondContact O-N 3.18Å; A277-V281 WeakPolarHBondContact O-CG2 3.45Å; A277-V281 PolarHBondContact O-N 3.2Å; A277-M289 HydrophobicContact CB-CE 4.23Å; A277-M289 HydrophobicContact CB-SD 3.7Å; A277-I302 HydrophobicContact CB-CD1 4.36Å |
| 278 | Y | 86.9 | Confident | 83.3 | Confident | 160 Ų | 160 | 61.3 Ų | 61.3 | 63% | 0.627 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.9 | -48.3 | 175.2 | 179.5 | -96.9 | 0 | 0 | 0 | 112.2 | I274 R275 Y276 C280 V281 S282 | I274-Y278 PolarHBondContact O-N 3.17Å; R275-Y278 PolarHBondContact O-N 3.34Å; Y276-Y278 PolarHBondContact O-N 2.74Å; Y278-C280 VanDerWaalsContact C-N 3.34Å; Y278-C280 PolarHBondContact O-N 2.97Å; Y278-V281 PolarHBondContact O-N 3.16Å; Y278-S282 WeakPolarHBondContact CE2-OG 3.38Å; Y278-S282 VanDerWaalsContact O-CB 3.3Å; Y278-S282 WeakPolarHBondContact O-CB 3.5Å; Y278-S282 PolarHBondContact O-N 3.44Å; Y278-S282 PolarHBondContact O-OG 3.08Å |
| 279 | N | 85 | Confident | 83.1 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 179.1 | -79.7 | -3.7 | 0 | 0 | 0 | 112.4 | R275 Y276 V281 T283 | R275-N279 PolarHBondContact O-N 2.98Å; Y276-N279 PolarHBondContact O-N 3.15Å; N279-V281 VanDerWaalsContact C-N 3.3Å; N279-V281 PolarHBondContact O-N 3.02Å; N279-T283 WeakPolarHBondContact O-CB 3.44Å; N279-T283 PolarHBondContact O-N 3.45Å; N279-T283 PolarHBondContact O-OG1 2.88Å |
| 280 | C | 82.9 | Confident | 83.1 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 179.1 | -78.7 | 0 | 0 | 0 | 0 | 113.8 | Y276 A277 Y278 R286 I287 M289 | Y276-C280 WeakPolarHBondContact CE2-SG 3.43Å; Y276-C280 WeakPolarHBondContact O-CB 3.29Å; Y276-C280 PolarHBondContact O-N 2.96Å; Y276-C280 PolarHBondContact O-SG 3.49Å; Y276-C280 VanDerWaalsContact O-SG 3.38Å; A277-C280 PolarHBondContact O-N 3.18Å; Y278-C280 VanDerWaalsContact C-N 3.34Å; Y278-C280 PolarHBondContact O-N 2.97Å; C280-R286 CarbonylContact O-C 3.45Å; C280-R286 WeakPolarHBondContact O-CA 3.45Å; C280-I287 HydrophobicContact CB-CB 4.14Å; C280-I287 PolarHBondContact O-N 2.97Å; C280-M289 HydrophobicContact CB-CE 3.34Å |
| 281 | V | 81 | Confident | 83.1 | Confident | 81 Ų | 81 | 65.3 Ų | 65.3 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -87.4 | -38 | 179.6 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | A277 Y278 N279 R286 | A277-V281 WeakPolarHBondContact O-CG2 3.45Å; A277-V281 PolarHBondContact O-N 3.2Å; Y278-V281 PolarHBondContact O-N 3.16Å; N279-V281 VanDerWaalsContact C-N 3.3Å; N279-V281 PolarHBondContact O-N 3.02Å; V281-R286 WeakPolarHBondContact O-CD 3.38Å; V281-R286 WeakPolarHBondContact O-CG 3.27Å |
| 282 | S | 80.7 | Confident | 83 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -83.6 | -28.9 | -175.8 | -61.4 | 0 | 0 | 0 | 0 | 114.4 | Y278 | Y278-S282 WeakPolarHBondContact CE2-OG 3.38Å; Y278-S282 VanDerWaalsContact O-CB 3.3Å; Y278-S282 WeakPolarHBondContact O-CB 3.5Å; Y278-S282 PolarHBondContact O-N 3.44Å; Y278-S282 PolarHBondContact O-OG 3.08Å |
| 283 | T | 73.5 | Confident | 82.9 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -100.8 | 142.2 | -171.6 | -34.5 | 0 | 0 | 0 | 0 | 111.5 | N279 P285 R286 | N279-T283 WeakPolarHBondContact O-CB 3.44Å; N279-T283 PolarHBondContact O-N 3.45Å; N279-T283 PolarHBondContact O-OG1 2.88Å; T283-P285 CarbonylContact O-C 3.48Å; T283-R286 PolarHBondContact O-N 3.14Å |
| 284 | E | 68.3 | Low | 82.7 | Confident | 146 Ų | 146 | 63.2 Ų | 63.2 | 68% | 0.682 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -84.4 | 135.7 | 178.7 | -71.1 | -160.2 | 164.1 | 0 | 0 | 114.4 | ||
| 285 | P | 66.6 | Low | 82.6 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | S | Bend | cis | -89.5 | 124.8 | 5.2 | 33.5 | -35.7 | 0 | 0 | 0 | 113.5 | R250 K251 T283 I287 | R250-P285 HydrophobicContact CB-CG 4.28Å; R250-P285 HydrophobicContact CG-CB 4.35Å; R250-P285 HydrophobicContact CG-CG 3.76Å; K251-P285 HydrophobicContact CG-CG 4.26Å; T283-P285 CarbonylContact O-C 3.48Å; P285-I287 PolarHBondContact O-N 2.85Å |
| 286 | R | 77.5 | Confident | 82.4 | Confident | 134 Ų | 134 | 55.2 Ų | 55.2 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 118.9 | -172.6 | -55.7 | -174.7 | -173.7 | 147.2 | 5.3 | 113.5 | R250 C280 V281 T283 | R250-R286 PolarHBondContact NH1-O 3.08Å; R250-R286 PolarHBondContact NH2-O 2.79Å; C280-R286 CarbonylContact O-C 3.45Å; C280-R286 WeakPolarHBondContact O-CA 3.45Å; V281-R286 WeakPolarHBondContact O-CD 3.38Å; V281-R286 WeakPolarHBondContact O-CG 3.27Å; T283-R286 PolarHBondContact O-N 3.14Å |
| 287 | I | 82.2 | Confident | 82.5 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 117.9 | -177.3 | -58.2 | 174.5 | 0 | 0 | 0 | 109.9 | L262 C280 P285 | L262-I287 HydrophobicContact CD2-CD1 3.74Å; L262-I287 HydrophobicContact CD2-CG1 4.12Å; L262-I287 HydrophobicContact CD2-CG2 4.46Å; L262-I287 HydrophobicContact CG-CG2 4.18Å; C280-I287 HydrophobicContact CB-CB 4.14Å; C280-I287 PolarHBondContact O-N 2.97Å; P285-I287 PolarHBondContact O-N 2.85Å |
| 288 | P | 82.1 | Confident | 82.5 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 140.9 | 174.7 | 28.5 | -35 | 0 | 0 | 0 | 110.4 | L262 V263 S264 V319 I322 | L262-P288 WeakPolarHBondContact O-CD 3.25Å; L262-P288 WeakPolarHBondContact O-CG 3.48Å; V263-P288 HydrophobicContact CG2-CG 4.29Å; S264-P288 PolarHBondContact N-O 3.36Å; P288-V319 HydrophobicContact CB-CG2 3.73Å; P288-V319 HydrophobicContact CG-CG2 4.43Å; P288-I322 HydrophobicContact CB-CD1 4Å |
| 289 | M | 85.1 | Confident | 82.7 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.9 | -166.5 | -162.8 | 164.5 | -67.2 | 0 | 0 | 111.7 | S264 I266 A277 C280 V291 | S264-M289 CarbonylContact O-C 3.45Å; S264-M289 WeakPolarHBondContact O-CA 3.47Å; I266-M289 HydrophobicContact CD1-CE 4.39Å; I266-M289 HydrophobicContact CD1-CG 4.23Å; I266-M289 HydrophobicContact CD1-SD 3.37Å; I266-M289 WeakPolarHBondContact CD1-SD 3.48Å; I266-M289 HydrophobicContact CG1-CG 4.38Å; I266-M289 HydrophobicContact CG1-SD 4.11Å; A277-M289 HydrophobicContact CB-CE 4.23Å; A277-M289 HydrophobicContact CB-SD 3.7Å; C280-M289 HydrophobicContact CB-CE 3.34Å; M289-V291 HydrophobicContact CG-CG2 4.49Å |
| 290 | V | 86.8 | Confident | 82.8 | Confident | 52 Ų | 52 | 51.2 Ų | 51.2 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 114.7 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | V263 S264 V265 I266 I315 | V263-V290 HydrophobicContact CG1-CG2 3.84Å; S264-V290 PolarHBondContact O-N 2.78Å; V265-V290 CarbonylContact C-O 3.52Å; V265-V290 VanDerWaalsContact CA-O 3.32Å; V265-V290 WeakPolarHBondContact CA-O 3.45Å; V265-V290 HydrophobicContact CG1-CB 4.42Å; V265-V290 HydrophobicContact CG2-CB 4.34Å; I266-V290 PolarHBondContact N-O 2.77Å; V290-I315 HydrophobicContact CG2-CG2 4.34Å |
| 291 | V | 88 | Confident | 83.1 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 22% | 0.218 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.3 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | M289 E293 S299 I302 | M289-V291 HydrophobicContact CG-CG2 4.49Å; V291-E293 PolarHBondContact O-N 3.39Å; V291-S299 WeakPolarHBondContact CG1-O 3.42Å; V291-I302 HydrophobicContact CG1-CB 4.3Å; V291-I302 HydrophobicContact CG1-CG2 4.36Å; V291-I302 HydrophobicContact CG2-CG2 3.91Å |
| 292 | C | 87 | Confident | 83.3 | Confident | 23 Ų | 23 | 54 Ų | 54 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -94 | 92.8 | -174.4 | -146.9 | 0 | 0 | 0 | 0 | 111.6 | I134 I266 I267 S295 | I134-C292 VanDerWaalsContact CD1-SG 3.58Å; I266-C292 WeakPolarHBondContact O-CB 3.27Å; I266-C292 PolarHBondContact O-N 3.41Å; I267-C292 HydrophobicContact CB-CB 4.3Å; I267-C292 HydrophobicContact CG1-CB 3.71Å; I267-C292 HydrophobicContact CG2-CB 4.41Å; C292-S295 WeakPolarHBondContact O-CB 3.42Å; C292-S295 PolarHBondContact O-N 2.93Å; C292-S295 PolarHBondContact O-OG 3.22Å | ||
| 293 | E | 83.7 | Confident | 83.5 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 136.6 | 178.8 | -175.4 | 161.7 | -112.6 | 0 | 0 | 113.4 | V291 S295 S303 H307 | V291-E293 PolarHBondContact O-N 3.39Å; E293-S295 VanDerWaalsContact C-N 3.35Å; E293-S303 WeakPolarHBondContact CB-OG 3.44Å; E293-S303 WeakPolarHBondContact CG-OG 3.4Å; E293-S303 PolarHBondContact OE1-OG 3.14Å; E293-H307 IonicContact OE1-CE1 2.94Å; E293-H307 PolarHBondContact OE1-CE1 2.84Å; E293-H307 IonicContact OE1-CG 3.23Å; E293-H307 IonicContact OE1-ND1 2.7Å; E293-H307 PolarHBondContact OE1-ND1 2.97Å; E293-H307 IonicContact OE2-CE1 3.71Å; E293-H307 PolarHBondContact OE2-CE1 3.27Å; E293-H307 IonicContact OE2-ND1 3.88Å |
| 294 | G | 85.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 20.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L130 D300 | L130-G294 WeakPolarHBondContact CD2-O 3.33Å; G294-D300 WeakPolarHBondContact CA-OD1 3.48Å; G294-D300 PolarHBondContact N-OD1 2.87Å |
| 295 | S | 87.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -106.6 | -6.5 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 114.2 | N268 C292 E293 S299 D300 | N268-S295 WeakPolarHBondContact CB-O 3.27Å; N268-S295 PolarHBondContact N-OG 2.9Å; N268-S295 PolarHBondContact ND2-O 3.21Å; C292-S295 WeakPolarHBondContact O-CB 3.42Å; C292-S295 PolarHBondContact O-N 2.93Å; C292-S295 PolarHBondContact O-OG 3.22Å; E293-S295 VanDerWaalsContact C-N 3.35Å; S295-S299 PolarHBondContact OG-OG 2.87Å; S295-D300 PolarHBondContact N-OD1 3.49Å; S295-D300 VanDerWaalsContact N-OD1 3.14Å |
| 296 | G | 83.2 | Confident | 84.2 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | trans | 107.6 | 165.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N268 A298 S299 D300 | N268-G296 CarbonylContact C-O 3.49Å; N268-G296 WeakPolarHBondContact CA-O 3.44Å; G296-A298 PolarHBondContact O-N 2.94Å; G296-S299 PolarHBondContact N-OG 3.39Å; G296-S299 PolarHBondContact O-N 3.35Å; G296-S299 PolarHBondContact O-OG 3.46Å; G296-D300 WeakPolarHBondContact CA-OD2 3.34Å; G296-D300 PolarHBondContact N-OD1 3.03Å; G296-D300 PolarHBondContact N-OD2 3.07Å; G296-D300 PolarHBondContact O-N 2.79Å | ||
| 297 | R | 90 | Very high | 83.4 | Confident | 121 Ų | 121 | 49.8 Ų | 49.8 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 45.6 | -122.8 | 169.2 | -56.7 | -171 | -170.3 | 166.7 | 6.8 | 113.5 | T122 N268 G269 S299 D300 I301 | T122-R297 VanDerWaalsContact OG1-CZ 3.28Å; T122-R297 PolarHBondContact OG1-NH1 2.86Å; T122-R297 PolarHBondContact OG1-NH2 2.87Å; N268-R297 WeakPolarHBondContact OD1-CD 3.29Å; G269-R297 WeakPolarHBondContact O-CB 3.29Å; G269-R297 WeakPolarHBondContact O-CD 3.28Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 2.87Å; R297-D300 PolarHBondContact O-N 3.46Å; R297-D300 VanDerWaalsContact O-N 3.11Å; R297-I301 WeakPolarHBondContact O-CG1 3.49Å; R297-I301 PolarHBondContact O-N 3.5Å |
| 298 | A | 89.8 | Confident | 82 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.9 | -44.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G269 I274 G296 D300 I301 I302 | G269-A298 PolarHBondContact O-N 2.88Å; I274-A298 HydrophobicContact CD1-CB 3.92Å; I274-A298 HydrophobicContact CG1-CB 3.61Å; G296-A298 PolarHBondContact O-N 2.94Å; A298-D300 VanDerWaalsContact C-N 3.32Å; A298-D300 PolarHBondContact O-N 3.49Å; A298-I301 PolarHBondContact O-N 3.37Å; A298-I302 WeakPolarHBondContact O-CB 3.43Å; A298-I302 VanDerWaalsContact O-CG1 3.27Å; A298-I302 WeakPolarHBondContact O-CG1 3.2Å; A298-I302 PolarHBondContact O-N 3.35Å |
| 299 | S | 89.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 177 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | N268 V291 S295 G296 R297 S303 | N268-S299 WeakPolarHBondContact CA-OG 3.31Å; N268-S299 PolarHBondContact N-OG 2.67Å; N268-S299 VanDerWaalsContact O-CB 3.29Å; N268-S299 WeakPolarHBondContact O-CB 3.29Å; N268-S299 PolarHBondContact O-N 2.96Å; V291-S299 WeakPolarHBondContact CG1-O 3.42Å; S295-S299 PolarHBondContact OG-OG 2.87Å; G296-S299 PolarHBondContact N-OG 3.39Å; G296-S299 PolarHBondContact O-N 3.35Å; G296-S299 PolarHBondContact O-OG 3.46Å; R297-S299 VanDerWaalsContact C-N 3.34Å; R297-S299 PolarHBondContact O-N 2.87Å; S299-S303 WeakPolarHBondContact O-CB 3.49Å; S299-S303 PolarHBondContact O-N 2.99Å |
| 300 | D | 88.1 | Confident | 78.5 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -78.7 | -28.5 | -179.7 | -70 | -2.5 | 0 | 0 | 0 | 112.1 | G294 S295 G296 R297 A298 F304 | G294-D300 WeakPolarHBondContact CA-OD1 3.48Å; G294-D300 PolarHBondContact N-OD1 2.87Å; S295-D300 PolarHBondContact N-OD1 3.49Å; S295-D300 VanDerWaalsContact N-OD1 3.14Å; G296-D300 WeakPolarHBondContact CA-OD2 3.34Å; G296-D300 PolarHBondContact N-OD1 3.03Å; G296-D300 PolarHBondContact N-OD2 3.07Å; G296-D300 PolarHBondContact O-N 2.79Å; R297-D300 PolarHBondContact O-N 3.46Å; R297-D300 VanDerWaalsContact O-N 3.11Å; A298-D300 VanDerWaalsContact C-N 3.32Å; A298-D300 PolarHBondContact O-N 3.49Å; D300-F304 WeakPolarHBondContact O-CB 3.28Å; D300-F304 PolarHBondContact O-N 3.22Å |
| 301 | I | 88.1 | Confident | 76.2 | Confident | 102 Ų | 102 | 70.7 Ų | 70.7 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 171.1 | -67.9 | 164.1 | 0 | 0 | 0 | 110.2 | R297 A298 F304 S305 | R297-I301 WeakPolarHBondContact O-CG1 3.49Å; R297-I301 PolarHBondContact O-N 3.5Å; A298-I301 PolarHBondContact O-N 3.37Å; I301-F304 PolarHBondContact O-N 3.15Å; I301-S305 WeakPolarHBondContact O-CB 3.38Å; I301-S305 PolarHBondContact O-N 3.36Å; I301-S305 PolarHBondContact O-OG 3.01Å |
| 302 | I | 86.3 | Confident | 74.3 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.9 | -63 | 163.6 | 0 | 0 | 0 | 109.7 | I274 A277 V291 A298 S305 Y306 | I274-I302 HydrophobicContact CG1-CD1 4.42Å; A277-I302 HydrophobicContact CB-CD1 4.36Å; V291-I302 HydrophobicContact CG1-CB 4.3Å; V291-I302 HydrophobicContact CG1-CG2 4.36Å; V291-I302 HydrophobicContact CG2-CG2 3.91Å; A298-I302 WeakPolarHBondContact O-CB 3.43Å; A298-I302 VanDerWaalsContact O-CG1 3.27Å; A298-I302 WeakPolarHBondContact O-CG1 3.2Å; A298-I302 PolarHBondContact O-N 3.35Å; I302-S305 PolarHBondContact O-N 3.14Å; I302-Y306 VanDerWaalsContact O-CB 3.27Å; I302-Y306 WeakPolarHBondContact O-CB 3.49Å; I302-Y306 PolarHBondContact O-N 3.31Å |
| 303 | S | 85.3 | Confident | 72.7 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 8% | 0.077 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -45.4 | 176.7 | -159.9 | 0 | 0 | 0 | 0 | 111.6 | E293 S299 S305 Y306 H307 | E293-S303 WeakPolarHBondContact CB-OG 3.44Å; E293-S303 WeakPolarHBondContact CG-OG 3.4Å; E293-S303 PolarHBondContact OE1-OG 3.14Å; S299-S303 WeakPolarHBondContact O-CB 3.49Å; S299-S303 PolarHBondContact O-N 2.99Å; S303-S305 PolarHBondContact O-N 3.06Å; S303-Y306 CarbonylContact O-C 3.48Å; S303-Y306 WeakPolarHBondContact O-CA 3.45Å; S303-Y306 WeakPolarHBondContact O-CB 3.47Å; S303-Y306 PolarHBondContact O-N 3.2Å; S303-Y306 VanDerWaalsContact O-N 3.14Å; S303-H307 WeakPolarHBondContact O-CB 3.3Å; S303-H307 PolarHBondContact O-N 3.47Å |
| 304 | F | 79.9 | Confident | 71.3 | Confident | 137 Ų | 137 | 73.1 Ų | 73.1 | 60% | 0.601 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 177.1 | -179 | -95.4 | 0 | 0 | 0 | 112.1 | D300 I301 Y306 H307 F308 | D300-F304 WeakPolarHBondContact O-CB 3.28Å; D300-F304 PolarHBondContact O-N 3.22Å; I301-F304 PolarHBondContact O-N 3.15Å; F304-Y306 PolarHBondContact O-N 2.79Å; F304-H307 PolarHBondContact O-N 3.14Å; F304-F308 HydrophobicContact CE1-CD2 4.39Å; F304-F308 HydrophobicContact CZ-CD2 4.16Å; F304-F308 HydrophobicContact CZ-CE2 4.42Å; F304-F308 PolarHBondContact O-N 2.92Å |
| 305 | S | 74.1 | Confident | 69.9 | Low | 65 Ų | 65 | 74.8 Ų | 74.8 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.7 | -39 | 174 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | I301 I302 S303 | I301-S305 WeakPolarHBondContact O-CB 3.38Å; I301-S305 PolarHBondContact O-N 3.36Å; I301-S305 PolarHBondContact O-OG 3.01Å; I302-S305 PolarHBondContact O-N 3.14Å; S303-S305 PolarHBondContact O-N 3.06Å |
| 306 | Y | 67.7 | Low | 68.2 | Low | 66 Ų | 66 | 76.4 Ų | 76.4 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.3 | -37.3 | 176.5 | 171.2 | -85.5 | 0 | 0 | 0 | 113.2 | I302 S303 F304 F308 L309 M310 F311 I314 | I302-Y306 VanDerWaalsContact O-CB 3.27Å; I302-Y306 WeakPolarHBondContact O-CB 3.49Å; I302-Y306 PolarHBondContact O-N 3.31Å; S303-Y306 CarbonylContact O-C 3.48Å; S303-Y306 WeakPolarHBondContact O-CA 3.45Å; S303-Y306 WeakPolarHBondContact O-CB 3.47Å; S303-Y306 PolarHBondContact O-N 3.2Å; S303-Y306 VanDerWaalsContact O-N 3.14Å; F304-Y306 PolarHBondContact O-N 2.79Å; Y306-F308 VanDerWaalsContact C-N 3.28Å; Y306-F308 PolarHBondContact O-N 3Å; Y306-L309 CarbonylContact O-C 3.19Å; Y306-L309 WeakPolarHBondContact O-CA 3.3Å; Y306-L309 WeakPolarHBondContact O-CB 3.12Å; Y306-L309 PolarHBondContact O-N 3Å; Y306-M310 WeakPolarHBondContact CE1-O 3.48Å; Y306-M310 PolarHBondContact O-N 3.19Å; Y306-M310 PolarHBondContact OH-O 3.38Å; Y306-F311 PolarHBondContact OH-O 3.39Å; Y306-I314 HydrophobicContact CE2-CB 4.03Å; Y306-I314 HydrophobicContact CE2-CD1 3.99Å; Y306-I314 HydrophobicContact CE2-CG1 4.4Å; Y306-I314 HydrophobicContact CE2-CG2 4.39Å; Y306-I314 VanDerWaalsContact OH-CB 3.29Å; Y306-I314 WeakPolarHBondContact OH-CB 3.45Å |
| 307 | H | 61.3 | Low | 66.8 | Low | 95 Ų | 95 | 77 Ų | 77 | 44% | 0.44 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.1 | -29.3 | -179.6 | -132.9 | 122.1 | 0 | 0 | 0 | 111.5 | E293 S303 F304 L309 | E293-H307 IonicContact OE1-CE1 2.94Å; E293-H307 PolarHBondContact OE1-CE1 2.84Å; E293-H307 IonicContact OE1-CG 3.23Å; E293-H307 IonicContact OE1-ND1 2.7Å; E293-H307 PolarHBondContact OE1-ND1 2.97Å; E293-H307 IonicContact OE2-CE1 3.71Å; E293-H307 PolarHBondContact OE2-CE1 3.27Å; E293-H307 IonicContact OE2-ND1 3.88Å; S303-H307 WeakPolarHBondContact O-CB 3.3Å; S303-H307 PolarHBondContact O-N 3.47Å; F304-H307 PolarHBondContact O-N 3.14Å; H307-L309 PolarHBondContact O-N 3.5Å |
| 308 | F | 53.7 | Low | 65.3 | Low | 171 Ų | 171 | 73 Ų | 73 | 75% | 0.75 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -6.4 | 168.2 | -131.1 | -84.1 | 0 | 0 | 0 | 113.4 | F304 Y306 | F304-F308 HydrophobicContact CE1-CD2 4.39Å; F304-F308 HydrophobicContact CZ-CD2 4.16Å; F304-F308 HydrophobicContact CZ-CE2 4.42Å; F304-F308 PolarHBondContact O-N 2.92Å; Y306-F308 VanDerWaalsContact C-N 3.28Å; Y306-F308 PolarHBondContact O-N 3Å |
| 309 | L | 50.8 | Low | 63.8 | Low | 143 Ų | 143 | 74.4 Ų | 74.4 | 75% | 0.749 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -40.6 | -176.1 | -79.2 | 167.3 | 0 | 0 | 0 | 114.8 | Y306 H307 | Y306-L309 CarbonylContact O-C 3.19Å; Y306-L309 WeakPolarHBondContact O-CA 3.3Å; Y306-L309 WeakPolarHBondContact O-CB 3.12Å; Y306-L309 PolarHBondContact O-N 3Å; H307-L309 PolarHBondContact O-N 3.5Å |
| 310 | M | 42 | Very low | 62.4 | Low | 92 Ų | 92 | 74.8 Ų | 74.8 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | trans | -168 | 160.4 | 171.1 | -114.6 | 159.3 | 89.5 | 0 | 0 | 116.8 | Y306 I314 | Y306-M310 WeakPolarHBondContact CE1-O 3.48Å; Y306-M310 PolarHBondContact O-N 3.19Å; Y306-M310 PolarHBondContact OH-O 3.38Å; M310-I314 HydrophobicContact CB-CD1 3.43Å; M310-I314 VanDerWaalsContact CB-CD1 3.43Å; M310-I314 HydrophobicContact CB-CG1 4.04Å; M310-I314 HydrophobicContact CE-CD1 3.75Å; M310-I314 HydrophobicContact CE-CG1 3.64Å; M310-I314 HydrophobicContact CG-CD1 4.16Å; M310-I314 HydrophobicContact SD-CD1 3.84Å; M310-I314 HydrophobicContact SD-CG1 4.39Å | ||
| 311 | F | 39.4 | Very low | 61.1 | Low | 157 Ų | 157 | 79.8 Ų | 79.8 | 69% | 0.689 | 40% | 0.396 | S | S | * | . | trans | -67.5 | 170.2 | 178 | -93.9 | -107.8 | 0 | 0 | 0 | 114.3 | Y306 L313 | Y306-F311 PolarHBondContact OH-O 3.39Å; F311-L313 PolarHBondContact O-N 3.02Å | ||
| 312 | P | 47 | Very low | 59.7 | Low | 91 Ų | 91 | 78.4 Ų | 78.4 | 59% | 0.591 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 1.3 | -174.6 | -27.4 | 36.6 | 0 | 0 | 0 | 118 | I314 | P312-I314 VanDerWaalsContact C-N 3.34Š|
| 313 | L | 54.2 | Low | 58.4 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 37% | 0.366 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35 | 179.1 | -143.2 | 60.8 | 0 | 0 | 0 | 112 | F311 I315 L317 M342 Y346 | F311-L313 PolarHBondContact O-N 3.02Å; L313-I315 PolarHBondContact O-N 2.92Å; L313-L317 PolarHBondContact O-N 2.78Å; L313-M342 HydrophobicContact CD1-CE 3.74Å; L313-Y346 WeakPolarHBondContact CD2-OH 3.44Å; L313-Y346 WeakPolarHBondContact CG-OH 3.48Å |
| 314 | I | 54.2 | Low | 57 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 25% | 0.251 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | -172.3 | -58.2 | -174.9 | 0 | 0 | 0 | 113.2 | Y306 M310 P312 L316 L317 A318 | Y306-I314 HydrophobicContact CE2-CB 4.03Å; Y306-I314 HydrophobicContact CE2-CD1 3.99Å; Y306-I314 HydrophobicContact CE2-CG1 4.4Å; Y306-I314 HydrophobicContact CE2-CG2 4.39Å; Y306-I314 VanDerWaalsContact OH-CB 3.29Å; Y306-I314 WeakPolarHBondContact OH-CB 3.45Å; M310-I314 HydrophobicContact CB-CD1 3.43Å; M310-I314 VanDerWaalsContact CB-CD1 3.43Å; M310-I314 HydrophobicContact CB-CG1 4.04Å; M310-I314 HydrophobicContact CE-CD1 3.75Å; M310-I314 HydrophobicContact CE-CG1 3.64Å; M310-I314 HydrophobicContact CG-CD1 4.16Å; M310-I314 HydrophobicContact SD-CD1 3.84Å; M310-I314 HydrophobicContact SD-CG1 4.39Å; P312-I314 VanDerWaalsContact C-N 3.34Å; I314-L316 PolarHBondContact O-N 3.31Å; I314-L316 VanDerWaalsContact O-N 3.1Å; I314-L317 CarbonylContact O-C 3.5Å; I314-L317 WeakPolarHBondContact O-CA 3.35Å; I314-L317 PolarHBondContact O-N 3.44Å; I314-A318 HydrophobicContact CG2-CB 3.84Å; I314-A318 VanDerWaalsContact O-CB 3.25Å; I314-A318 WeakPolarHBondContact O-CB 3.41Å; I314-A318 PolarHBondContact O-N 2.84Å |
| 315 | I | 56.2 | Low | 56.1 | Low | 73 Ų | 73 | 86.2 Ų | 86.2 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.1 | -36.9 | -172.9 | -63.2 | 173.3 | 0 | 0 | 0 | 111.5 | V290 L313 V319 | V290-I315 HydrophobicContact CG2-CG2 4.34Å; L313-I315 PolarHBondContact O-N 2.92Å; I315-V319 WeakPolarHBondContact O-CG2 3.5Å |
| 316 | L | 50.4 | Low | 55.8 | Low | 39 Ų | 39 | 86.7 Ų | 86.7 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -77.5 | -41.7 | 173.7 | -64.7 | 160.9 | 0 | 0 | 0 | 111.6 | I314 A318 V319 L320 W337 M342 | I314-L316 PolarHBondContact O-N 3.31Å; I314-L316 VanDerWaalsContact O-N 3.1Å; L316-A318 PolarHBondContact O-N 2.93Å; L316-V319 PolarHBondContact O-N 2.99Å; L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.46Å; L316-W337 HydrophobicContact CB-CZ3 4.22Å; L316-W337 HydrophobicContact CD2-CD2 3.91Å; L316-W337 HydrophobicContact CD2-CE3 3.48Å; L316-W337 VanDerWaalsContact CD2-CE3 3.48Å; L316-W337 HydrophobicContact CD2-CH2 3.9Å; L316-W337 HydrophobicContact CD2-CZ2 4.3Å; L316-W337 HydrophobicContact CD2-CZ3 3.48Å; L316-W337 VanDerWaalsContact CD2-CZ3 3.48Å; L316-W337 HydrophobicContact CG-CZ3 4.47Å; L316-M342 HydrophobicContact CB-CE 4.35Å; L316-M342 HydrophobicContact CB-SD 3.95Å; L316-M342 HydrophobicContact CD1-CE 3.56Å; L316-M342 HydrophobicContact CD1-CG 4.25Å; L316-M342 HydrophobicContact CD1-SD 4.05Å |
| 317 | L | 55.2 | Low | 55.8 | Low | 30 Ų | 30 | 87.1 Ų | 87.1 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.2 | -32.3 | -179.5 | -140.3 | 170.2 | 0 | 0 | 0 | 113.2 | L313 I314 R321 Y346 | L313-L317 PolarHBondContact O-N 2.78Å; I314-L317 CarbonylContact O-C 3.5Å; I314-L317 WeakPolarHBondContact O-CA 3.35Å; I314-L317 PolarHBondContact O-N 3.44Å; L317-R321 HydrophobicContact CD2-CG 4.36Å; L317-R321 WeakPolarHBondContact O-CB 3.1Å; L317-R321 PolarHBondContact O-N 3.07Å; L317-Y346 HydrophobicContact CD1-CD1 3.96Å; L317-Y346 HydrophobicContact CD1-CE1 3.55Å; L317-Y346 HydrophobicContact CD1-CE2 4.32Å; L317-Y346 HydrophobicContact CD2-CD1 4.45Å; L317-Y346 HydrophobicContact CG-CD1 4.04Å; L317-Y346 HydrophobicContact CG-CD2 4.46Å; L317-Y346 HydrophobicContact CG-CE1 4.14Å; L317-Y346 HydrophobicContact CG-CG 4.24Å |
| 318 | A | 57.6 | Low | 56.3 | Low | 36 Ų | 36 | 85.7 Ų | 85.7 | 30% | 0.298 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -76.1 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I314 L316 L320 R321 I322 | I314-A318 HydrophobicContact CG2-CB 3.84Å; I314-A318 VanDerWaalsContact O-CB 3.25Å; I314-A318 WeakPolarHBondContact O-CB 3.41Å; I314-A318 PolarHBondContact O-N 2.84Å; L316-A318 PolarHBondContact O-N 2.93Å; A318-L320 VanDerWaalsContact C-N 3.33Å; A318-R321 PolarHBondContact O-N 3.36Å; A318-I322 WeakPolarHBondContact O-CB 3.23Å; A318-I322 WeakPolarHBondContact O-CD1 3.37Å; A318-I322 WeakPolarHBondContact O-CG1 3.26Å; A318-I322 PolarHBondContact O-N 3.44Å |
| 319 | V | 58.7 | Low | 57.1 | Low | 32 Ų | 32 | 81.5 Ų | 81.5 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 171 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | P288 I315 L316 I322 C323 L333 W337 | P288-V319 HydrophobicContact CB-CG2 3.73Å; P288-V319 HydrophobicContact CG-CG2 4.43Å; I315-V319 WeakPolarHBondContact O-CG2 3.5Å; L316-V319 PolarHBondContact O-N 2.99Å; V319-I322 PolarHBondContact O-N 3.38Å; V319-C323 PolarHBondContact O-N 2.96Å; V319-L333 HydrophobicContact CG1-CD2 3.64Å; V319-W337 HydrophobicContact CB-CH2 3.89Å; V319-W337 HydrophobicContact CG1-CH2 3.66Å; V319-W337 HydrophobicContact CG1-CZ2 3.99Å |
| 320 | L | 60.3 | Low | 58.2 | Low | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 171.3 | -74.7 | 164.9 | 0 | 0 | 0 | 112 | L316 A318 C323 Q330 W337 I347 | L316-L320 WeakPolarHBondContact O-CG 3.43Å; L316-L320 PolarHBondContact O-N 3.46Å; A318-L320 VanDerWaalsContact C-N 3.33Å; L320-C323 CarbonylContact O-C 3.47Å; L320-C323 PolarHBondContact O-N 2.99Å; L320-C323 VanDerWaalsContact O-N 3.12Å; L320-Q330 HydrophobicContact CD2-CB 3.74Å; L320-Q330 HydrophobicContact CD2-CG 4.13Å; L320-W337 HydrophobicContact CG-CZ3 4.46Å; L320-I347 HydrophobicContact CD2-CD1 4.39Å |
| 321 | R | 60.5 | Low | 59.9 | Low | 161 Ų | 161 | 71.3 Ų | 71.3 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 173.6 | -84.3 | -175.7 | 167 | 161.5 | -3.7 | 114 | L317 A318 C323 E324 | L317-R321 HydrophobicContact CD2-CG 4.36Å; L317-R321 WeakPolarHBondContact O-CB 3.1Å; L317-R321 PolarHBondContact O-N 3.07Å; A318-R321 PolarHBondContact O-N 3.36Å; R321-C323 PolarHBondContact O-N 2.98Å; R321-E324 WeakPolarHBondContact CB-OE1 3.37Å; R321-E324 WeakPolarHBondContact CG-OE1 3.37Å; R321-E324 WeakPolarHBondContact O-CA 3.29Å; R321-E324 WeakPolarHBondContact O-CB 3.41Å; R321-E324 WeakPolarHBondContact O-CG 2.96Å; R321-E324 PolarHBondContact O-N 2.9Å |
| 322 | I | 59.5 | Low | 61.5 | Low | 73 Ų | 73 | 66.1 Ų | 66.1 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -19.8 | 174.5 | -73.2 | 162.2 | 0 | 0 | 0 | 111.5 | P288 A318 V319 | P288-I322 HydrophobicContact CB-CD1 4Å; A318-I322 WeakPolarHBondContact O-CB 3.23Å; A318-I322 WeakPolarHBondContact O-CD1 3.37Å; A318-I322 WeakPolarHBondContact O-CG1 3.26Å; A318-I322 PolarHBondContact O-N 3.44Å; V319-I322 PolarHBondContact O-N 3.38Å |
| 323 | C | 59.3 | Low | 62.8 | Low | 37 Ų | 37 | 63.6 Ų | 63.6 | 25% | 0.25 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 31.6 | 169.9 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | V319 L320 R321 E325 N326 Q330 | V319-C323 PolarHBondContact O-N 2.96Å; L320-C323 CarbonylContact O-C 3.47Å; L320-C323 PolarHBondContact O-N 2.99Å; L320-C323 VanDerWaalsContact O-N 3.12Å; R321-C323 PolarHBondContact O-N 2.98Å; C323-E325 PolarHBondContact O-N 3.36Å; C323-N326 PolarHBondContact O-N 3.27Å; C323-N326 VanDerWaalsContact O-N 3.08Å; C323-Q330 HydrophobicContact CB-CG 3.84Å; C323-Q330 PolarHBondContact O-NE2 2.68Å |
| 324 | E | 56.1 | Low | 63.8 | Low | 128 Ų | 128 | 60.3 Ų | 60.3 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.3 | -166.4 | -116.9 | 151.9 | -152 | 0 | 0 | 115.8 | R321 | R321-E324 WeakPolarHBondContact CB-OE1 3.37Å; R321-E324 WeakPolarHBondContact CG-OE1 3.37Å; R321-E324 WeakPolarHBondContact O-CA 3.29Å; R321-E324 WeakPolarHBondContact O-CB 3.41Å; R321-E324 WeakPolarHBondContact O-CG 2.96Å; R321-E324 PolarHBondContact O-N 2.9Å |
| 325 | E | 59 | Low | 64.9 | Low | 194 Ų | 194 | 58.9 Ų | 58.9 | 91% | 0.907 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12.8 | -178 | -60.5 | -167.9 | 146.7 | 0 | 0 | 115.3 | C323 | C323-E325 PolarHBondContact O-N 3.36Š|
| 326 | N | 68 | Low | 65.5 | Low | 75 Ų | 75 | 60.1 Ų | 60.1 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | trans | -127.8 | 76.8 | -164.4 | -154.2 | -0.7 | 0 | 0 | 0 | 114.2 | C323 H328 E329 Q330 | C323-N326 PolarHBondContact O-N 3.27Å; C323-N326 VanDerWaalsContact O-N 3.08Å; N326-H328 PolarHBondContact O-N 2.79Å; N326-E329 PolarHBondContact ND2-OE2 3.2Å; N326-E329 PolarHBondContact O-N 3.37Å; N326-Q330 PolarHBondContact O-N 3.43Å | ||
| 327 | F | 69.4 | Low | 66.5 | Low | 76 Ų | 76 | 62.5 Ų | 62.5 | 33% | 0.333 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -49.5 | -32 | 179.3 | -79.7 | -89.9 | 0 | 0 | 0 | 114.9 | E329 Q330 L331 I347 W354 | F327-E329 VanDerWaalsContact C-N 3.34Å; F327-E329 PolarHBondContact O-N 3.03Å; F327-Q330 PolarHBondContact O-N 2.87Å; F327-L331 WeakPolarHBondContact O-CB 3.48Å; F327-L331 PolarHBondContact O-N 2.64Å; F327-I347 HydrophobicContact CD1-CG2 4.47Å; F327-W354 HydrophobicContact CD1-CZ3 4.49Å |
| 328 | H | 71.4 | Confident | 67.3 | Low | 65 Ų | 65 | 65.8 Ų | 65.8 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.6 | -173 | 38.7 | 0 | 0 | 0 | 112.2 | N326 L332 L358 | N326-H328 PolarHBondContact O-N 2.79Å; H328-L332 VanDerWaalsContact O-CB 3.28Å; H328-L332 WeakPolarHBondContact O-CB 3.31Å; H328-L332 PolarHBondContact O-N 3.42Å; H328-L358 HydrophobicContact CB-CD1 4Å; H328-L358 HydrophobicContact CB-CD2 4.1Å; H328-L358 HydrophobicContact CB-CG 4.35Å |
| 329 | E | 69.9 | Low | 68.1 | Low | 83 Ų | 83 | 68.7 Ų | 68.7 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.6 | -40.3 | 177.3 | -63.5 | -168.3 | 125.1 | 0 | 0 | 110.9 | N326 F327 L331 L332 L333 | N326-E329 PolarHBondContact ND2-OE2 3.2Å; N326-E329 PolarHBondContact O-N 3.37Å; F327-E329 VanDerWaalsContact C-N 3.34Å; F327-E329 PolarHBondContact O-N 3.03Å; E329-L331 PolarHBondContact O-N 3.12Å; E329-L332 PolarHBondContact O-N 2.91Å; E329-L333 WeakPolarHBondContact O-CB 3.48Å; E329-L333 PolarHBondContact O-N 2.8Å |
| 330 | Q | 74 | Confident | 69.1 | Low | 17 Ų | 17 | 68.7 Ų | 68.7 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.5 | -49.5 | 172.5 | -65.8 | 179.6 | 16 | 0 | 0 | 112.1 | L320 C323 N326 F327 L333 A334 I347 | L320-Q330 HydrophobicContact CD2-CB 3.74Å; L320-Q330 HydrophobicContact CD2-CG 4.13Å; C323-Q330 HydrophobicContact CB-CG 3.84Å; C323-Q330 PolarHBondContact O-NE2 2.68Å; N326-Q330 PolarHBondContact O-N 3.43Å; F327-Q330 PolarHBondContact O-N 2.87Å; Q330-L333 PolarHBondContact O-N 3.11Å; Q330-A334 PolarHBondContact O-N 3.28Å; Q330-I347 HydrophobicContact CB-CD1 4.28Å |
| 331 | L | 78 | Confident | 69.9 | Low | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.1 | -43.4 | -179.7 | -179.5 | 59 | 0 | 0 | 0 | 112 | F327 E329 L333 A334 M335 A343 I347 F348 L359 A362 F374 F378 | F327-L331 WeakPolarHBondContact O-CB 3.48Å; F327-L331 PolarHBondContact O-N 2.64Å; E329-L331 PolarHBondContact O-N 3.12Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-L333 PolarHBondContact O-N 3.47Å; L331-A334 PolarHBondContact O-N 2.96Å; L331-M335 WeakPolarHBondContact O-CG 3.26Å; L331-M335 PolarHBondContact O-N 2.89Å; L331-A343 HydrophobicContact CD1-CB 4.4Å; L331-I347 HydrophobicContact CB-CD1 4.24Å; L331-I347 HydrophobicContact CD1-CD1 4.2Å; L331-F348 HydrophobicContact CD1-CE2 4.27Å; L331-L359 HydrophobicContact CD2-CD1 4.29Å; L331-A362 HydrophobicContact CD2-CB 3.75Å; L331-A362 HydrophobicContact CG-CB 4.45Å; L331-F374 HydrophobicContact CD1-CE1 4.34Å; L331-F378 HydrophobicContact CD1-CE1 3.99Å; L331-F378 HydrophobicContact CD1-CZ 4.24Å; L331-F378 HydrophobicContact CD2-CE1 4.2Å; L331-F378 HydrophobicContact CD2-CZ 4.39Å |
| 332 | L | 73.4 | Confident | 70.5 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 176.2 | -175.1 | 66.1 | 0 | 0 | 0 | 111.7 | H328 E329 M335 T336 | H328-L332 VanDerWaalsContact O-CB 3.28Å; H328-L332 WeakPolarHBondContact O-CB 3.31Å; H328-L332 PolarHBondContact O-N 3.42Å; E329-L332 PolarHBondContact O-N 2.91Å; L332-M335 WeakPolarHBondContact O-CB 3.47Å; L332-M335 PolarHBondContact O-N 2.8Å; L332-T336 WeakPolarHBondContact O-CG2 3.18Å; L332-T336 PolarHBondContact O-N 2.67Å; L332-T336 PolarHBondContact O-OG1 3.14Å |
| 333 | L | 73.7 | Confident | 71.4 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.199 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 177.7 | -162.6 | 70.2 | 0 | 0 | 0 | 111.7 | V319 E329 Q330 L331 M335 T336 W337 | V319-L333 HydrophobicContact CG1-CD2 3.64Å; E329-L333 WeakPolarHBondContact O-CB 3.48Å; E329-L333 PolarHBondContact O-N 2.8Å; Q330-L333 PolarHBondContact O-N 3.11Å; L331-L333 VanDerWaalsContact C-N 3.27Å; L331-L333 PolarHBondContact O-N 3.47Å; L333-M335 PolarHBondContact O-N 2.61Å; L333-T336 PolarHBondContact O-N 2.98Å; L333-T336 PolarHBondContact O-OG1 3.24Å; L333-W337 HydrophobicContact CD1-CZ2 4.07Å; L333-W337 HydrophobicContact CD2-CH2 3.43Å; L333-W337 VanDerWaalsContact CD2-CH2 3.43Å; L333-W337 HydrophobicContact CD2-CZ2 3.51Å; L333-W337 HydrophobicContact CD2-CZ3 4.08Å; L333-W337 HydrophobicContact CG-CD2 4.16Å; L333-W337 HydrophobicContact CG-CE3 4.32Å; L333-W337 HydrophobicContact CG-CH2 3.77Å; L333-W337 HydrophobicContact CG-CZ2 3.54Å; L333-W337 HydrophobicContact CG-CZ3 4.14Å; L333-W337 VanDerWaalsContact O-CG 3.25Å; L333-W337 PolarHBondContact O-N 3.14Å |
| 334 | A | 75.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -35.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q330 L331 N338 R339 A343 I347 F374 | Q330-A334 PolarHBondContact O-N 3.28Å; L331-A334 PolarHBondContact O-N 2.96Å; A334-N338 PolarHBondContact O-N 3.04Å; A334-R339 PolarHBondContact O-N 3.29Å; A334-R339 VanDerWaalsContact O-N 3.17Å; A334-A343 HydrophobicContact CB-CB 4.18Å; A334-I347 HydrophobicContact CB-CD1 4Å; A334-F374 HydrophobicContact CB-CZ 4.37Å; A334-F374 WeakPolarHBondContact O-CZ 3.48Å |
| 335 | M | 76.3 | Confident | 73.3 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 173.4 | -72.1 | -177.8 | 69 | 0 | 0 | 113 | L331 L332 L333 W337 N338 A362 V365 A366 F374 F378 | L331-M335 WeakPolarHBondContact O-CG 3.26Å; L331-M335 PolarHBondContact O-N 2.89Å; L332-M335 WeakPolarHBondContact O-CB 3.47Å; L332-M335 PolarHBondContact O-N 2.8Å; L333-M335 PolarHBondContact O-N 2.61Å; M335-W337 PolarHBondContact O-N 2.92Å; M335-N338 PolarHBondContact O-N 3.13Å; M335-A362 WeakPolarHBondContact CE-O 3.5Å; M335-A362 HydrophobicContact SD-CB 4.04Å; M335-V365 HydrophobicContact CE-CB 3.86Å; M335-V365 HydrophobicContact CE-CG1 3.75Å; M335-A366 HydrophobicContact CE-CB 3.78Å; M335-F374 HydrophobicContact CB-CZ 4.42Å; M335-F374 HydrophobicContact CG-CD1 3.78Å; M335-F374 HydrophobicContact CG-CD2 4.36Å; M335-F374 HydrophobicContact CG-CE1 3.6Å; M335-F374 HydrophobicContact CG-CE2 4.22Å; M335-F374 HydrophobicContact CG-CG 4.16Å; M335-F374 HydrophobicContact CG-CZ 3.84Å; M335-F378 HydrophobicContact SD-CE2 4.37Å; M335-F378 HydrophobicContact SD-CZ 3.94Å |
| 336 | T | 69.8 | Low | 73.8 | Confident | 100 Ų | 100 | 52.6 Ų | 52.6 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.5 | -25.1 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | L332 L333 N338 | L332-T336 WeakPolarHBondContact O-CG2 3.18Å; L332-T336 PolarHBondContact O-N 2.67Å; L332-T336 PolarHBondContact O-OG1 3.14Å; L333-T336 PolarHBondContact O-N 2.98Å; L333-T336 PolarHBondContact O-OG1 3.24Å; T336-N338 VanDerWaalsContact C-N 3.35Å |
| 337 | W | 70.3 | Confident | 74.2 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | 170.4 | -63.4 | -21.5 | 0 | 0 | 0 | 114.5 | L316 V319 L320 L333 M335 R339 | L316-W337 HydrophobicContact CB-CZ3 4.22Å; L316-W337 HydrophobicContact CD2-CD2 3.91Å; L316-W337 HydrophobicContact CD2-CE3 3.48Å; L316-W337 VanDerWaalsContact CD2-CE3 3.48Å; L316-W337 HydrophobicContact CD2-CH2 3.9Å; L316-W337 HydrophobicContact CD2-CZ2 4.3Å; L316-W337 HydrophobicContact CD2-CZ3 3.48Å; L316-W337 VanDerWaalsContact CD2-CZ3 3.48Å; L316-W337 HydrophobicContact CG-CZ3 4.47Å; V319-W337 HydrophobicContact CB-CH2 3.89Å; V319-W337 HydrophobicContact CG1-CH2 3.66Å; V319-W337 HydrophobicContact CG1-CZ2 3.99Å; L320-W337 HydrophobicContact CG-CZ3 4.46Å; L333-W337 HydrophobicContact CD1-CZ2 4.07Å; L333-W337 HydrophobicContact CD2-CH2 3.43Å; L333-W337 VanDerWaalsContact CD2-CH2 3.43Å; L333-W337 HydrophobicContact CD2-CZ2 3.51Å; L333-W337 HydrophobicContact CD2-CZ3 4.08Å; L333-W337 HydrophobicContact CG-CD2 4.16Å; L333-W337 HydrophobicContact CG-CE3 4.32Å; L333-W337 HydrophobicContact CG-CH2 3.77Å; L333-W337 HydrophobicContact CG-CZ2 3.54Å; L333-W337 HydrophobicContact CG-CZ3 4.14Å; L333-W337 VanDerWaalsContact O-CG 3.25Å; L333-W337 PolarHBondContact O-N 3.14Å; M335-W337 PolarHBondContact O-N 2.92Å; W337-R339 VanDerWaalsContact C-N 3.28Å; W337-R339 HydrophobicContact CB-CG 4.42Å; W337-R339 PolarHBondContact O-N 3.11Å |
| 338 | N | 73 | Confident | 74.6 | Confident | 99 Ų | 99 | 46.6 Ų | 46.6 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 43.1 | -174.1 | -163.7 | 11.8 | 0 | 0 | 0 | 113.4 | A334 M335 T336 N371 | A334-N338 PolarHBondContact O-N 3.04Å; M335-N338 PolarHBondContact O-N 3.13Å; T336-N338 VanDerWaalsContact C-N 3.35Å; N338-N371 PolarHBondContact OD1-ND2 3.23Å |
| 339 | R | 74.2 | Confident | 74.4 | Confident | 98 Ų | 98 | 47.9 Ų | 47.9 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | trans | -115.8 | 83.3 | 179.5 | -72.3 | -64.5 | -64.3 | -97.6 | 2.2 | 111.2 | A334 W337 D341 M342 A343 | A334-R339 PolarHBondContact O-N 3.29Å; A334-R339 VanDerWaalsContact O-N 3.17Å; W337-R339 VanDerWaalsContact C-N 3.28Å; W337-R339 HydrophobicContact CB-CG 4.42Å; W337-R339 PolarHBondContact O-N 3.11Å; R339-D341 VanDerWaalsContact C-N 3.26Å; R339-D341 IonicContact CZ-OD1 3.78Å; R339-D341 IonicContact CZ-OD2 1.88Å; R339-D341 IonicContact NE-OD1 3.93Å; R339-D341 PolarHBondContact NE-OD1 3.36Å; R339-D341 IonicContact NE-OD2 3.74Å; R339-D341 PolarHBondContact NE-OD2 2.85Å; R339-D341 IonicContact NH2-OD1 3.46Å; R339-D341 IonicContact NH2-OD2 3.47Å; R339-D341 PolarHBondContact NH2-OD2 3.19Å; R339-D341 PolarHBondContact O-N 2.91Å; R339-M342 HydrophobicContact CB-CB 4.05Å; R339-M342 HydrophobicContact CB-CG 3.79Å; R339-M342 WeakPolarHBondContact O-CB 3.29Å; R339-M342 PolarHBondContact O-N 3.33Å; R339-M342 VanDerWaalsContact O-N 3.17Å; R339-A343 PolarHBondContact O-N 3.33Å | ||
| 340 | V | 79.5 | Confident | 73.7 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -35.2 | -178.3 | -175 | 0 | 0 | 0 | 0 | 111.1 | M342 A343 A344 S373 F374 L377 | V340-M342 VanDerWaalsContact C-N 3.31Å; V340-M342 PolarHBondContact O-N 3.18Å; V340-A343 PolarHBondContact O-N 2.99Å; V340-A344 WeakPolarHBondContact O-CB 3.45Å; V340-A344 PolarHBondContact O-N 3.35Å; V340-S373 WeakPolarHBondContact CG1-O 3.22Å; V340-F374 HydrophobicContact CB-CD2 4.38Å; V340-F374 HydrophobicContact CB-CE2 4.21Å; V340-F374 HydrophobicContact CG2-CD2 3.43Å; V340-F374 VanDerWaalsContact CG2-CD2 3.43Å; V340-F374 HydrophobicContact CG2-CE2 3.5Å; V340-F374 VanDerWaalsContact CG2-CE2 3.5Å; V340-F374 HydrophobicContact CG2-CG 4.16Å; V340-F374 HydrophobicContact CG2-CZ 4.27Å; V340-L377 HydrophobicContact CG1-CB 4.16Å; V340-L377 HydrophobicContact CG1-CD2 3.94Å |
| 341 | D | 77.1 | Confident | 72.8 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 174.9 | 63.4 | -50.3 | 0 | 0 | 0 | 112.7 | R339 N345 | R339-D341 VanDerWaalsContact C-N 3.26Å; R339-D341 IonicContact CZ-OD1 3.78Å; R339-D341 IonicContact CZ-OD2 1.88Å; R339-D341 IonicContact NE-OD1 3.93Å; R339-D341 PolarHBondContact NE-OD1 3.36Å; R339-D341 IonicContact NE-OD2 3.74Å; R339-D341 PolarHBondContact NE-OD2 2.85Å; R339-D341 IonicContact NH2-OD1 3.46Å; R339-D341 IonicContact NH2-OD2 3.47Å; R339-D341 PolarHBondContact NH2-OD2 3.19Å; R339-D341 PolarHBondContact O-N 2.91Å; D341-N345 VanDerWaalsContact O-CB 3.26Å; D341-N345 WeakPolarHBondContact O-CB 3.41Å; D341-N345 VanDerWaalsContact O-CG 3.25Å; D341-N345 PolarHBondContact O-N 3.33Å; D341-N345 PolarHBondContact O-ND2 2.89Å; D341-N345 VanDerWaalsContact O-ND2 3.12Å |
| 342 | M | 73.7 | Confident | 72 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -41.7 | 175.3 | -67.5 | -77.3 | 160.8 | 0 | 0 | 111.2 | L313 L316 R339 V340 Y346 | L313-M342 HydrophobicContact CD1-CE 3.74Å; L316-M342 HydrophobicContact CB-CE 4.35Å; L316-M342 HydrophobicContact CB-SD 3.95Å; L316-M342 HydrophobicContact CD1-CE 3.56Å; L316-M342 HydrophobicContact CD1-CG 4.25Å; L316-M342 HydrophobicContact CD1-SD 4.05Å; R339-M342 HydrophobicContact CB-CB 4.05Å; R339-M342 HydrophobicContact CB-CG 3.79Å; R339-M342 WeakPolarHBondContact O-CB 3.29Å; R339-M342 PolarHBondContact O-N 3.33Å; R339-M342 VanDerWaalsContact O-N 3.17Å; V340-M342 VanDerWaalsContact C-N 3.31Å; V340-M342 PolarHBondContact O-N 3.18Å; M342-Y346 HydrophobicContact CB-CD2 4.47Å; M342-Y346 WeakPolarHBondContact O-CB 3.43Å; M342-Y346 WeakPolarHBondContact O-CD2 3.14Å; M342-Y346 PolarHBondContact O-N 3.42Å; M342-Y346 HydrophobicContact SD-CD2 3.83Å; M342-Y346 HydrophobicContact SD-CE2 3.7Å |
| 343 | A | 78.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L331 A334 R339 V340 N345 I347 F348 F374 L377 | L331-A343 HydrophobicContact CD1-CB 4.4Å; A334-A343 HydrophobicContact CB-CB 4.18Å; R339-A343 PolarHBondContact O-N 3.33Å; V340-A343 PolarHBondContact O-N 2.99Å; A343-N345 PolarHBondContact O-N 2.75Å; A343-I347 HydrophobicContact CB-CD1 4.27Å; A343-I347 WeakPolarHBondContact O-CA 3.24Å; A343-I347 WeakPolarHBondContact O-CB 3.35Å; A343-I347 PolarHBondContact O-N 2.88Å; A343-F348 HydrophobicContact CB-CE2 4.48Å; A343-F348 WeakPolarHBondContact O-CD2 3.42Å; A343-F348 PolarHBondContact O-N 3.42Å; A343-F374 HydrophobicContact CB-CE1 3.57Å; A343-F374 HydrophobicContact CB-CZ 4.05Å; A343-L377 HydrophobicContact CB-CD2 3.69Å |
| 344 | A | 79.7 | Confident | 70.8 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 28% | 0.281 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V340 L377 | V340-A344 WeakPolarHBondContact O-CB 3.45Å; V340-A344 PolarHBondContact O-N 3.35Å; A344-L377 HydrophobicContact CB-CD1 3.73Å; A344-L377 HydrophobicContact CB-CD2 4.32Å |
| 345 | N | 74.5 | Confident | 70.3 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -84.7 | -23 | -172.6 | -65.1 | -28.5 | 0 | 0 | 0 | 114.5 | D341 A343 T349 | D341-N345 VanDerWaalsContact O-CB 3.26Å; D341-N345 WeakPolarHBondContact O-CB 3.41Å; D341-N345 VanDerWaalsContact O-CG 3.25Å; D341-N345 PolarHBondContact O-N 3.33Å; D341-N345 PolarHBondContact O-ND2 2.89Å; D341-N345 VanDerWaalsContact O-ND2 3.12Å; A343-N345 PolarHBondContact O-N 2.75Å; N345-T349 VanDerWaalsContact C-OG1 3.26Å; N345-T349 WeakPolarHBondContact O-CG2 3.39Å; N345-T349 PolarHBondContact O-OG1 3.13Å |
| 346 | Y | 71.1 | Confident | 69.7 | Low | 77 Ų | 77 | 76.3 Ų | 76.3 | 30% | 0.302 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -123.9 | -15 | -173.8 | -55.8 | -62.1 | 0 | 0 | 0 | 115.9 | L313 L317 M342 T349 | L313-Y346 WeakPolarHBondContact CD2-OH 3.44Å; L313-Y346 WeakPolarHBondContact CG-OH 3.48Å; L317-Y346 HydrophobicContact CD1-CD1 3.96Å; L317-Y346 HydrophobicContact CD1-CE1 3.55Å; L317-Y346 HydrophobicContact CD1-CE2 4.32Å; L317-Y346 HydrophobicContact CD2-CD1 4.45Å; L317-Y346 HydrophobicContact CG-CD1 4.04Å; L317-Y346 HydrophobicContact CG-CD2 4.46Å; L317-Y346 HydrophobicContact CG-CE1 4.14Å; L317-Y346 HydrophobicContact CG-CG 4.24Å; M342-Y346 HydrophobicContact CB-CD2 4.47Å; M342-Y346 WeakPolarHBondContact O-CB 3.43Å; M342-Y346 WeakPolarHBondContact O-CD2 3.14Å; M342-Y346 PolarHBondContact O-N 3.42Å; M342-Y346 HydrophobicContact SD-CD2 3.83Å; M342-Y346 HydrophobicContact SD-CE2 3.7Å; Y346-T349 VanDerWaalsContact CA-OG1 3.28Å; Y346-T349 WeakPolarHBondContact CA-OG1 3.35Å; Y346-T349 PolarHBondContact N-OG1 3.41Å |
| 347 | I | 74.9 | Confident | 69.8 | Low | 6 Ų | 6 | 76.6 Ų | 76.6 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -41.6 | 177.6 | -54.2 | -179 | 0 | 0 | 0 | 110.1 | L320 F327 Q330 L331 A334 A343 W354 | L320-I347 HydrophobicContact CD2-CD1 4.39Å; F327-I347 HydrophobicContact CD1-CG2 4.47Å; Q330-I347 HydrophobicContact CB-CD1 4.28Å; L331-I347 HydrophobicContact CB-CD1 4.24Å; L331-I347 HydrophobicContact CD1-CD1 4.2Å; A334-I347 HydrophobicContact CB-CD1 4Å; A343-I347 HydrophobicContact CB-CD1 4.27Å; A343-I347 WeakPolarHBondContact O-CA 3.24Å; A343-I347 WeakPolarHBondContact O-CB 3.35Å; A343-I347 PolarHBondContact O-N 2.88Å; I347-W354 HydrophobicContact CG2-CH2 4Å; I347-W354 WeakPolarHBondContact O-CH2 3.44Å |
| 348 | F | 77.3 | Confident | 69.9 | Low | 18 Ų | 18 | 75 Ų | 75 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -92.7 | 15.5 | 179.9 | -66.9 | -77.1 | 0 | 0 | 0 | 114.4 | L331 A343 T350 W354 L359 L377 F378 N381 | L331-F348 HydrophobicContact CD1-CE2 4.27Å; A343-F348 HydrophobicContact CB-CE2 4.48Å; A343-F348 WeakPolarHBondContact O-CD2 3.42Å; A343-F348 PolarHBondContact O-N 3.42Å; F348-T350 VanDerWaalsContact C-N 3.29Å; F348-T350 PolarHBondContact O-N 3.11Å; F348-W354 AromaticContact CD1-CE2 3.69Å; F348-W354 HydrophobicContact CD1-CH2 4.24Å; F348-W354 AromaticContact CD1-CZ2 3.4Å; F348-W354 HydrophobicContact CD1-CZ2 3.4Å; F348-W354 AromaticContact CD1-NE1 3.8Å; F348-W354 HydrophobicContact CE1-CD2 4.29Å; F348-W354 AromaticContact CE1-CE2 3.62Å; F348-W354 HydrophobicContact CE1-CH2 4.21Å; F348-W354 AromaticContact CE1-CZ2 3.6Å; F348-W354 HydrophobicContact CE1-CZ2 3.6Å; F348-W354 AromaticContact CE1-NE1 3.84Å; F348-W354 HydrophobicContact CG-CZ2 4.28Å; F348-L359 HydrophobicContact CE1-CD1 4.37Å; F348-L359 HydrophobicContact CZ-CD1 4.33Å; F348-L377 HydrophobicContact CD2-CD1 4.29Å; F348-L377 HydrophobicContact CD2-CD2 3.85Å; F348-L377 HydrophobicContact CD2-CG 4.05Å; F348-L377 HydrophobicContact CE2-CD2 3.81Å; F348-L377 HydrophobicContact CE2-CG 4.05Å; F348-F378 HydrophobicContact CE2-CD1 4.25Å; F348-F378 HydrophobicContact CE2-CE1 4.09Å; F348-F378 AromaticContact CZ-CD1 3.85Å; F348-F378 HydrophobicContact CZ-CD1 3.85Å; F348-F378 AromaticContact CZ-CE1 3.93Å; F348-F378 HydrophobicContact CZ-CE1 3.93Å; F348-N381 HydrophobicContact CD1-CB 3.77Å; F348-N381 WeakPolarHBondContact CD1-OD1 3.44Å; F348-N381 HydrophobicContact CE1-CB 3.91Å |
| 349 | T | 67.8 | Low | 70.1 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 56% | 0.564 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -73.7 | -8.1 | -170.6 | -16.4 | 0 | 0 | 0 | 0 | 115.7 | N345 Y346 | N345-T349 VanDerWaalsContact C-OG1 3.26Å; N345-T349 WeakPolarHBondContact O-CG2 3.39Å; N345-T349 PolarHBondContact O-OG1 3.13Å; Y346-T349 VanDerWaalsContact CA-OG1 3.28Å; Y346-T349 WeakPolarHBondContact CA-OG1 3.35Å; Y346-T349 PolarHBondContact N-OG1 3.41Å |
| 350 | T | 55.6 | Low | 70.3 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 57% | 0.571 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -136.9 | 151.5 | 178.5 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | F348 Q352 | F348-T350 VanDerWaalsContact C-N 3.29Å; F348-T350 PolarHBondContact O-N 3.11Å; T350-Q352 PolarHBondContact O-N 3.35Å |
| 351 | K | 56 | Low | 70.4 | Confident | 181 Ų | 181 | 70.4 Ų | 70.4 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | trans | -74.6 | 50.4 | -179.7 | -62.9 | -164.8 | 174 | -163.2 | 0 | 112.8 | E651 | K351-E651 IonicContact NZ-OE2 3.95Å; K351-E651 PolarHBondContact NZ-OE2 3.44Å | ||
| 352 | Q | 60.1 | Low | 70.6 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | trans | -64.2 | 143.5 | 164.6 | -71.8 | -168.2 | -3.9 | 0 | 0 | 109.8 | T350 W354 | T350-Q352 PolarHBondContact O-N 3.35Å; Q352-W354 PolarHBondContact O-N 2.91Å | ||
| 353 | K | 56.6 | Low | 71.3 | Confident | 206 Ų | 206 | 67.7 Ų | 67.7 | 90% | 0.896 | 35% | 0.346 | S | S | * | . | trans | -82.5 | 110.4 | 167.2 | -74 | -172.4 | 176.5 | -176.6 | 0 | 108.5 | ||||
| 354 | W | 65.8 | Low | 71.6 | Confident | 53 Ų | 53 | 69 Ų | 69 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | trans | -63.4 | 145.7 | 174.3 | -56.3 | 99.3 | 0 | 0 | 0 | 110.9 | F327 I347 F348 Q352 L359 | F327-W354 HydrophobicContact CD1-CZ3 4.49Å; I347-W354 HydrophobicContact CG2-CH2 4Å; I347-W354 WeakPolarHBondContact O-CH2 3.44Å; F348-W354 AromaticContact CD1-CE2 3.69Å; F348-W354 HydrophobicContact CD1-CH2 4.24Å; F348-W354 AromaticContact CD1-CZ2 3.4Å; F348-W354 HydrophobicContact CD1-CZ2 3.4Å; F348-W354 AromaticContact CD1-NE1 3.8Å; F348-W354 HydrophobicContact CE1-CD2 4.29Å; F348-W354 AromaticContact CE1-CE2 3.62Å; F348-W354 HydrophobicContact CE1-CH2 4.21Å; F348-W354 AromaticContact CE1-CZ2 3.6Å; F348-W354 HydrophobicContact CE1-CZ2 3.6Å; F348-W354 AromaticContact CE1-NE1 3.84Å; F348-W354 HydrophobicContact CG-CZ2 4.28Å; Q352-W354 PolarHBondContact O-N 2.91Å; W354-L359 HydrophobicContact CB-CD1 4.45Å; W354-L359 HydrophobicContact CB-CD2 4.19Å; W354-L359 HydrophobicContact CD2-CD1 4.15Å; W354-L359 HydrophobicContact CE3-CD1 4.06Å; W354-L359 HydrophobicContact CG-CD1 4.29Å; W354-L359 HydrophobicContact CG-CD2 4.11Å | ||
| 355 | A | 64.1 | Low | 71.8 | Confident | 66 Ų | 66 | 70 Ų | 70 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | trans | -80.6 | 115.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | D357 L358 | A355-D357 PolarHBondContact O-N 3.47Å; A355-D357 VanDerWaalsContact O-N 3.1Å; A355-L358 WeakPolarHBondContact O-CB 3.47Å; A355-L358 PolarHBondContact O-N 2.89Å | ||
| 356 | D | 65.3 | Low | 72.4 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -48.1 | -44.5 | -173.5 | -63.9 | -34.8 | 0 | 0 | 0 | 112 | L358 L359 E360 | D356-L358 PolarHBondContact O-N 3.38Å; D356-L359 CarbonylContact O-C 3.6Å; D356-L359 PolarHBondContact O-N 2.76Å; D356-E360 WeakPolarHBondContact O-CG 3.32Å; D356-E360 PolarHBondContact O-N 3.34Å |
| 357 | D | 70.7 | Confident | 73.3 | Confident | 106 Ų | 106 | 62 Ų | 62 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -45.4 | -32.4 | 174.8 | -123.5 | 64.5 | 0 | 0 | 0 | 115.8 | A355 K361 | A355-D357 PolarHBondContact O-N 3.47Å; A355-D357 VanDerWaalsContact O-N 3.1Å; D357-K361 VanDerWaalsContact O-CD 3.24Å; D357-K361 WeakPolarHBondContact O-CD 3.31Å; D357-K361 VanDerWaalsContact O-CE 3.32Å; D357-K361 WeakPolarHBondContact O-CE 3.4Å; D357-K361 VanDerWaalsContact O-CG 3.31Å; D357-K361 WeakPolarHBondContact O-CG 3.36Å; D357-K361 PolarHBondContact O-NZ 3.32Å; D357-K361 IonicContact OD2-NZ 2.98Å; D357-K361 PolarHBondContact OD2-NZ 2.88Å |
| 358 | L | 72 | Confident | 73.7 | Confident | 54 Ų | 54 | 67 Ų | 67 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -85.5 | -39.7 | 179.9 | -153.5 | 83.5 | 0 | 0 | 0 | 111.3 | H328 A355 D356 K361 A362 | H328-L358 HydrophobicContact CB-CD1 4Å; H328-L358 HydrophobicContact CB-CD2 4.1Å; H328-L358 HydrophobicContact CB-CG 4.35Å; A355-L358 WeakPolarHBondContact O-CB 3.47Å; A355-L358 PolarHBondContact O-N 2.89Å; D356-L358 PolarHBondContact O-N 3.38Å; L358-K361 PolarHBondContact O-N 2.79Å; L358-A362 PolarHBondContact O-N 2.75Å |
| 359 | L | 78.4 | Confident | 74 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74.2 | -32.9 | 179.8 | -124.3 | 67.1 | 0 | 0 | 0 | 111.4 | L331 F348 W354 D356 K361 A362 M363 L383 | L331-L359 HydrophobicContact CD2-CD1 4.29Å; F348-L359 HydrophobicContact CE1-CD1 4.37Å; F348-L359 HydrophobicContact CZ-CD1 4.33Å; W354-L359 HydrophobicContact CB-CD1 4.45Å; W354-L359 HydrophobicContact CB-CD2 4.19Å; W354-L359 HydrophobicContact CD2-CD1 4.15Å; W354-L359 HydrophobicContact CE3-CD1 4.06Å; W354-L359 HydrophobicContact CG-CD1 4.29Å; W354-L359 HydrophobicContact CG-CD2 4.11Å; D356-L359 CarbonylContact O-C 3.6Å; D356-L359 PolarHBondContact O-N 2.76Å; L359-K361 VanDerWaalsContact C-N 3.32Å; L359-K361 PolarHBondContact O-N 3.2Å; L359-A362 PolarHBondContact O-N 3.25Å; L359-M363 WeakPolarHBondContact O-CB 3.45Å; L359-M363 PolarHBondContact O-N 2.81Å; L359-L383 HydrophobicContact CB-CD1 3.91Å; L359-L383 HydrophobicContact CD2-CB 4.28Å; L359-L383 HydrophobicContact CD2-CD1 4.25Å; L359-L383 HydrophobicContact CG-CD1 4.14Å |
| 360 | E | 78.3 | Confident | 74.8 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.4 | -49.4 | 167.5 | -71.9 | -136 | 152.1 | 0 | 0 | 111.4 | D356 A362 M363 I364 F388 R396 | D356-E360 WeakPolarHBondContact O-CG 3.32Å; D356-E360 PolarHBondContact O-N 3.34Å; E360-A362 VanDerWaalsContact C-N 3.32Å; E360-A362 PolarHBondContact O-N 3.23Å; E360-M363 PolarHBondContact O-N 3.27Å; E360-I364 WeakPolarHBondContact O-CG1 3.41Å; E360-I364 PolarHBondContact O-N 2.97Å; E360-F388 HydrophobicContact CB-CD2 4.03Å; E360-F388 HydrophobicContact CB-CE2 4.09Å; E360-F388 HydrophobicContact CG-CD2 3.83Å; E360-F388 HydrophobicContact CG-CE2 4.38Å; E360-R396 IonicContact OE2-NH2 3.53Å; E360-R396 PolarHBondContact OE2-NH2 2.89Å; E360-R396 VanDerWaalsContact OE2-NH2 3.09Å |
| 361 | K | 80.9 | Confident | 76.3 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | -175.5 | -67.6 | 167.8 | -171.7 | 115.4 | 0 | 110.6 | D357 L358 L359 V365 | D357-K361 VanDerWaalsContact O-CD 3.24Å; D357-K361 WeakPolarHBondContact O-CD 3.31Å; D357-K361 VanDerWaalsContact O-CE 3.32Å; D357-K361 WeakPolarHBondContact O-CE 3.4Å; D357-K361 VanDerWaalsContact O-CG 3.31Å; D357-K361 WeakPolarHBondContact O-CG 3.36Å; D357-K361 PolarHBondContact O-NZ 3.32Å; D357-K361 IonicContact OD2-NZ 2.98Å; D357-K361 PolarHBondContact OD2-NZ 2.88Å; L358-K361 PolarHBondContact O-N 2.79Å; L359-K361 VanDerWaalsContact C-N 3.32Å; L359-K361 PolarHBondContact O-N 3.2Å; K361-V365 WeakPolarHBondContact O-CG2 3.35Å; K361-V365 PolarHBondContact O-N 3.19Å |
| 362 | A | 81.8 | Confident | 77.8 | Confident | 7 Ų | 7 | 58 Ų | 58 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L331 M335 L358 L359 E360 I364 V365 A366 F378 | L331-A362 HydrophobicContact CD2-CB 3.75Å; L331-A362 HydrophobicContact CG-CB 4.45Å; M335-A362 WeakPolarHBondContact CE-O 3.5Å; M335-A362 HydrophobicContact SD-CB 4.04Å; L358-A362 PolarHBondContact O-N 2.75Å; L359-A362 PolarHBondContact O-N 3.25Å; E360-A362 VanDerWaalsContact C-N 3.32Å; E360-A362 PolarHBondContact O-N 3.23Å; A362-I364 PolarHBondContact O-N 3.23Å; A362-V365 PolarHBondContact O-N 3.06Å; A362-A366 PolarHBondContact O-N 3.39Å; A362-F378 HydrophobicContact CB-CE2 3.87Å; A362-F378 HydrophobicContact CB-CZ 3.74Å |
| 363 | M | 87.4 | Confident | 79 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 177.2 | 178.9 | 60.9 | 89.3 | 0 | 0 | 112.3 | L359 E360 V365 A366 L367 V375 F378 L379 L383 F388 | L359-M363 WeakPolarHBondContact O-CB 3.45Å; L359-M363 PolarHBondContact O-N 2.81Å; E360-M363 PolarHBondContact O-N 3.27Å; M363-V365 VanDerWaalsContact C-N 3.3Å; M363-V365 PolarHBondContact O-N 3.25Å; M363-A366 PolarHBondContact O-N 3.41Å; M363-L367 HydrophobicContact CG-CD1 3.93Å; M363-L367 HydrophobicContact CG-CG 4.37Å; M363-L367 WeakPolarHBondContact O-CB 3.47Å; M363-L367 VanDerWaalsContact O-CG 3.28Å; M363-L367 WeakPolarHBondContact O-CG 3.29Å; M363-L367 PolarHBondContact O-N 3.48Å; M363-L367 HydrophobicContact SD-CD1 4.09Å; M363-L367 HydrophobicContact SD-CD2 4.41Å; M363-L367 HydrophobicContact SD-CG 3.98Å; M363-V375 HydrophobicContact CE-CG1 4.06Å; M363-V375 HydrophobicContact SD-CB 4.22Å; M363-V375 HydrophobicContact SD-CG1 3.92Å; M363-V375 HydrophobicContact SD-CG2 3.95Å; M363-F378 HydrophobicContact CB-CD2 4.22Å; M363-F378 HydrophobicContact CE-CB 3.73Å; M363-F378 HydrophobicContact CE-CD2 4.2Å; M363-F378 HydrophobicContact SD-CD2 4.23Å; M363-L379 HydrophobicContact CE-CD2 3.86Å; M363-L379 HydrophobicContact CE-CG 3.91Å; M363-L383 HydrophobicContact CB-CD1 3.89Å; M363-L383 HydrophobicContact CE-CD1 4.11Å; M363-L383 HydrophobicContact CE-CD2 4.11Å; M363-L383 HydrophobicContact CG-CD1 4.37Å; M363-F388 HydrophobicContact CB-CD2 4.47Å; M363-F388 HydrophobicContact CB-CE2 3.91Å; M363-F388 HydrophobicContact CB-CZ 3.94Å; M363-F388 HydrophobicContact CG-CD1 4.11Å; M363-F388 HydrophobicContact CG-CD2 4.33Å; M363-F388 HydrophobicContact CG-CE1 3.57Å; M363-F388 HydrophobicContact CG-CE2 3.82Å; M363-F388 HydrophobicContact CG-CG 4.45Å; M363-F388 HydrophobicContact CG-CZ 3.4Å; M363-F388 VanDerWaalsContact CG-CZ 3.4Å |
| 364 | I | 85.7 | Confident | 80.5 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 175.5 | -69.5 | 166.3 | 0 | 0 | 0 | 111.2 | E360 A362 R368 F388 L397 | E360-I364 WeakPolarHBondContact O-CG1 3.41Å; E360-I364 PolarHBondContact O-N 2.97Å; A362-I364 PolarHBondContact O-N 3.23Å; I364-R368 VanDerWaalsContact O-CB 3.29Å; I364-R368 WeakPolarHBondContact O-CB 3.34Å; I364-R368 PolarHBondContact O-N 3Å; I364-F388 HydrophobicContact CD1-CE2 4.39Å; I364-F388 HydrophobicContact CG1-CE2 3.85Å; I364-F388 HydrophobicContact CG1-CZ 3.79Å; I364-L397 HydrophobicContact CG2-CD2 4.18Å |
| 365 | V | 84.2 | Confident | 81.6 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -43.9 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 111 | M335 K361 A362 M363 L367 R368 E369 | M335-V365 HydrophobicContact CE-CB 3.86Å; M335-V365 HydrophobicContact CE-CG1 3.75Å; K361-V365 WeakPolarHBondContact O-CG2 3.35Å; K361-V365 PolarHBondContact O-N 3.19Å; A362-V365 PolarHBondContact O-N 3.06Å; M363-V365 VanDerWaalsContact C-N 3.3Å; M363-V365 PolarHBondContact O-N 3.25Å; V365-L367 VanDerWaalsContact C-N 3.35Å; V365-L367 PolarHBondContact O-N 2.85Å; V365-R368 PolarHBondContact O-N 2.84Å; V365-R368 VanDerWaalsContact O-N 3.14Å; V365-E369 HydrophobicContact CG1-CG 4.32Å; V365-E369 WeakPolarHBondContact O-CG 3.5Å; V365-E369 PolarHBondContact O-N 2.92Å |
| 366 | A | 86.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M335 A362 M363 E369 D370 N371 F374 V375 F378 | M335-A366 HydrophobicContact CE-CB 3.78Å; A362-A366 PolarHBondContact O-N 3.39Å; M363-A366 PolarHBondContact O-N 3.41Å; A366-E369 PolarHBondContact O-N 3.2Å; A366-D370 PolarHBondContact O-N 3.38Å; A366-N371 PolarHBondContact O-N 3.01Å; A366-F374 HydrophobicContact CB-CB 3.97Å; A366-V375 HydrophobicContact CB-CG2 3.89Å; A366-F378 HydrophobicContact CB-CD2 4.45Å; A366-F378 HydrophobicContact CB-CE2 3.92Å |
| 367 | L | 88.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 173.9 | -67.7 | 168.7 | 0 | 0 | 0 | 111.7 | M363 V365 E369 D370 V375 F388 L397 L481 W484 L493 | M363-L367 HydrophobicContact CG-CD1 3.93Å; M363-L367 HydrophobicContact CG-CG 4.37Å; M363-L367 WeakPolarHBondContact O-CB 3.47Å; M363-L367 VanDerWaalsContact O-CG 3.28Å; M363-L367 WeakPolarHBondContact O-CG 3.29Å; M363-L367 PolarHBondContact O-N 3.48Å; M363-L367 HydrophobicContact SD-CD1 4.09Å; M363-L367 HydrophobicContact SD-CD2 4.41Å; M363-L367 HydrophobicContact SD-CG 3.98Å; V365-L367 VanDerWaalsContact C-N 3.35Å; V365-L367 PolarHBondContact O-N 2.85Å; L367-E369 VanDerWaalsContact C-N 3.28Å; L367-E369 PolarHBondContact O-N 2.91Å; L367-D370 PolarHBondContact O-N 2.9Å; L367-V375 HydrophobicContact CD2-CG1 4.31Å; L367-V375 HydrophobicContact CD2-CG2 3.79Å; L367-V375 HydrophobicContact CG-CG2 4.18Å; L367-F388 HydrophobicContact CD1-CE1 3.79Å; L367-F388 HydrophobicContact CD1-CZ 4Å; L367-L397 HydrophobicContact CB-CD2 4.21Å; L367-L397 HydrophobicContact CD1-CD1 4.13Å; L367-L397 HydrophobicContact CD1-CD2 4.27Å; L367-L481 HydrophobicContact CD1-CD1 4.08Å; L367-L481 HydrophobicContact CD2-CD1 4.21Å; L367-L481 HydrophobicContact CD2-CD2 4.05Å; L367-W484 HydrophobicContact CB-CH2 4.15Å; L367-W484 HydrophobicContact CB-CZ3 4.15Å; L367-W484 WeakPolarHBondContact O-CH2 3.27Å; L367-L493 HydrophobicContact CD2-CD1 3.75Å; L367-L493 HydrophobicContact CD2-CD2 3.7Å; L367-L493 HydrophobicContact CD2-CG 4.4Å |
| 368 | R | 84.9 | Confident | 84.4 | Confident | 111 Ų | 111 | 36.4 Ų | 36.4 | 42% | 0.419 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.8 | -29.7 | -179.8 | -170.8 | 175.4 | -172.1 | -105 | 6.7 | 113.5 | I364 V365 S400 R490 | I364-R368 VanDerWaalsContact O-CB 3.29Å; I364-R368 WeakPolarHBondContact O-CB 3.34Å; I364-R368 PolarHBondContact O-N 3Å; V365-R368 PolarHBondContact O-N 2.84Å; V365-R368 VanDerWaalsContact O-N 3.14Å; R368-S400 PolarHBondContact NE-O 2.67Å; R368-S400 PolarHBondContact NH2-O 2.81Å; R368-R490 PolarHBondContact O-NH1 3.07Å; R368-R490 PolarHBondContact O-NH2 3.08Å |
| 369 | E | 83.1 | Confident | 85 | Confident | 113 Ų | 113 | 34.8 Ų | 34.8 | 53% | 0.528 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 14.3 | 178.4 | -52.1 | -49.6 | 138.1 | 0 | 0 | 113.5 | V365 A366 L367 N371 | V365-E369 HydrophobicContact CG1-CG 4.32Å; V365-E369 WeakPolarHBondContact O-CG 3.5Å; V365-E369 PolarHBondContact O-N 2.92Å; A366-E369 PolarHBondContact O-N 3.2Å; L367-E369 VanDerWaalsContact C-N 3.28Å; L367-E369 PolarHBondContact O-N 2.91Å; E369-N371 PolarHBondContact O-N 3.21Å |
| 370 | D | 85 | Confident | 85.2 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 26.9 | -178.5 | -160.5 | 24.4 | 0 | 0 | 0 | 114.4 | A366 L367 V372 P491 N492 L493 | A366-D370 PolarHBondContact O-N 3.38Å; L367-D370 PolarHBondContact O-N 2.9Å; D370-V372 PolarHBondContact O-N 2.98Å; D370-V372 VanDerWaalsContact O-N 3.08Å; D370-P491 WeakPolarHBondContact OD2-CD 3.25Å; D370-N492 PolarHBondContact OD2-N 3.44Å; D370-N492 PolarHBondContact OD2-ND2 3.05Å; D370-L493 WeakPolarHBondContact OD1-CB 3.24Å; D370-L493 PolarHBondContact OD1-N 2.89Å |
| 371 | N | 86.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 39.9 Ų | 39.9 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | trans | -90.5 | 74.9 | -169.9 | -160.7 | -35.6 | 0 | 0 | 0 | 112.5 | N338 A366 E369 S373 F374 V375 | N338-N371 PolarHBondContact OD1-ND2 3.23Å; A366-N371 PolarHBondContact O-N 3.01Å; E369-N371 PolarHBondContact O-N 3.21Å; N371-S373 PolarHBondContact O-N 3.37Å; N371-S373 VanDerWaalsContact O-N 3.14Å; N371-F374 PolarHBondContact O-N 2.9Å; N371-F374 VanDerWaalsContact O-N 3.16Å; N371-F374 PolarHBondContact OD1-N 3.49Å; N371-V375 WeakPolarHBondContact O-CG2 3.37Å; N371-V375 PolarHBondContact O-N 3.29Å; N371-V375 VanDerWaalsContact O-N 3.08Å | ||
| 372 | V | 86.6 | Confident | 85 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 19% | 0.194 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -43.8 | -44.5 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 113.1 | D370 F374 V375 K376 N492 F496 | D370-V372 PolarHBondContact O-N 2.98Å; D370-V372 VanDerWaalsContact O-N 3.08Å; V372-F374 PolarHBondContact O-N 2.76Å; V372-V375 WeakPolarHBondContact O-CB 3.37Å; V372-V375 PolarHBondContact O-N 3.12Å; V372-V375 VanDerWaalsContact O-N 3.16Å; V372-K376 WeakPolarHBondContact O-CB 3.45Å; V372-K376 PolarHBondContact O-N 3Å; V372-N492 HydrophobicContact CG2-CB 3.64Å; V372-N492 VanDerWaalsContact CG2-O 3.24Å; V372-N492 WeakPolarHBondContact CG2-O 3.24Å; V372-F496 HydrophobicContact CB-CB 4.43Å; V372-F496 HydrophobicContact CG1-CB 3.63Å; V372-F496 HydrophobicContact CG1-CD1 4.46Å; V372-F496 HydrophobicContact CG1-CD2 3.78Å; V372-F496 HydrophobicContact CG1-CG 3.7Å; V372-F496 HydrophobicContact CG2-CB 3.93Å |
| 373 | S | 86.2 | Confident | 84.9 | Confident | 65 Ų | 65 | 37.7 Ų | 37.7 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.6 | -38.1 | -173 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | V340 N371 L377 | V340-S373 WeakPolarHBondContact CG1-O 3.22Å; N371-S373 PolarHBondContact O-N 3.37Å; N371-S373 VanDerWaalsContact O-N 3.14Å; S373-L377 WeakPolarHBondContact O-CB 3.24Å; S373-L377 PolarHBondContact O-N 3.19Å |
| 374 | F | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73 | -38.6 | 170.7 | -88.8 | -81.1 | 0 | 0 | 0 | 112.4 | L331 A334 M335 V340 A343 A366 N371 V372 K376 L377 F378 | L331-F374 HydrophobicContact CD1-CE1 4.34Å; A334-F374 HydrophobicContact CB-CZ 4.37Å; A334-F374 WeakPolarHBondContact O-CZ 3.48Å; M335-F374 HydrophobicContact CB-CZ 4.42Å; M335-F374 HydrophobicContact CG-CD1 3.78Å; M335-F374 HydrophobicContact CG-CD2 4.36Å; M335-F374 HydrophobicContact CG-CE1 3.6Å; M335-F374 HydrophobicContact CG-CE2 4.22Å; M335-F374 HydrophobicContact CG-CG 4.16Å; M335-F374 HydrophobicContact CG-CZ 3.84Å; V340-F374 HydrophobicContact CB-CD2 4.38Å; V340-F374 HydrophobicContact CB-CE2 4.21Å; V340-F374 HydrophobicContact CG2-CD2 3.43Å; V340-F374 VanDerWaalsContact CG2-CD2 3.43Å; V340-F374 HydrophobicContact CG2-CE2 3.5Å; V340-F374 VanDerWaalsContact CG2-CE2 3.5Å; V340-F374 HydrophobicContact CG2-CG 4.16Å; V340-F374 HydrophobicContact CG2-CZ 4.27Å; A343-F374 HydrophobicContact CB-CE1 3.57Å; A343-F374 HydrophobicContact CB-CZ 4.05Å; A366-F374 HydrophobicContact CB-CB 3.97Å; N371-F374 PolarHBondContact O-N 2.9Å; N371-F374 VanDerWaalsContact O-N 3.16Å; N371-F374 PolarHBondContact OD1-N 3.49Å; V372-F374 PolarHBondContact O-N 2.76Å; F374-K376 VanDerWaalsContact C-N 3.32Å; F374-K376 PolarHBondContact O-N 3.09Å; F374-L377 HydrophobicContact CD1-CD2 4.32Å; F374-L377 HydrophobicContact CE1-CD2 4.44Å; F374-L377 PolarHBondContact O-N 3.37Å; F374-F378 HydrophobicContact CB-CE2 4.15Å; F374-F378 HydrophobicContact CB-CZ 4.25Å; F374-F378 AromaticContact CD1-CE1 3.99Å; F374-F378 HydrophobicContact CD1-CE1 3.99Å; F374-F378 HydrophobicContact CD1-CE2 4.41Å; F374-F378 AromaticContact CD1-CZ 3.68Å; F374-F378 HydrophobicContact CD1-CZ 3.68Å; F374-F378 HydrophobicContact CG-CZ 4.41Å; F374-F378 VanDerWaalsContact O-CD2 3.24Å; F374-F378 WeakPolarHBondContact O-CD2 3.39Å; F374-F378 WeakPolarHBondContact O-CG 3.36Å; F374-F378 PolarHBondContact O-N 2.79Å |
| 375 | V | 87.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | M363 A366 L367 N371 V372 F378 L379 F496 | M363-V375 HydrophobicContact CE-CG1 4.06Å; M363-V375 HydrophobicContact SD-CB 4.22Å; M363-V375 HydrophobicContact SD-CG1 3.92Å; M363-V375 HydrophobicContact SD-CG2 3.95Å; A366-V375 HydrophobicContact CB-CG2 3.89Å; L367-V375 HydrophobicContact CD2-CG1 4.31Å; L367-V375 HydrophobicContact CD2-CG2 3.79Å; L367-V375 HydrophobicContact CG-CG2 4.18Å; N371-V375 WeakPolarHBondContact O-CG2 3.37Å; N371-V375 PolarHBondContact O-N 3.29Å; N371-V375 VanDerWaalsContact O-N 3.08Å; V372-V375 WeakPolarHBondContact O-CB 3.37Å; V372-V375 PolarHBondContact O-N 3.12Å; V372-V375 VanDerWaalsContact O-N 3.16Å; V375-F378 PolarHBondContact O-N 2.96Å; V375-L379 HydrophobicContact CG1-CD1 4.08Å; V375-L379 VanDerWaalsContact O-CG 3.31Å; V375-L379 WeakPolarHBondContact O-CG 3.49Å; V375-L379 PolarHBondContact O-N 3.25Å; V375-F496 HydrophobicContact CG1-CD1 4.3Å; V375-F496 HydrophobicContact CG1-CE1 3.72Å |
| 376 | K | 86.4 | Confident | 83.8 | Confident | 97 Ų | 97 | 45.9 Ų | 45.9 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 174.9 | -176.2 | 171.6 | -179.2 | 173.8 | 0 | 111.3 | V372 F374 F378 L379 D380 F496 | V372-K376 WeakPolarHBondContact O-CB 3.45Å; V372-K376 PolarHBondContact O-N 3Å; F374-K376 VanDerWaalsContact C-N 3.32Å; F374-K376 PolarHBondContact O-N 3.09Å; K376-F378 VanDerWaalsContact C-N 3.27Å; K376-F378 PolarHBondContact O-N 3.36Å; K376-L379 PolarHBondContact O-N 3.31Å; K376-D380 WeakPolarHBondContact CE-OD2 3.42Å; K376-D380 VanDerWaalsContact CG-OD2 3.25Å; K376-D380 WeakPolarHBondContact CG-OD2 3.38Å; K376-D380 VanDerWaalsContact O-CB 3.3Å; K376-D380 WeakPolarHBondContact O-CB 3.4Å; K376-D380 PolarHBondContact O-N 2.96Å; K376-F496 HydrophobicContact CB-CE2 3.85Å; K376-F496 HydrophobicContact CB-CZ 3.97Å; K376-F496 HydrophobicContact CD-CE2 4.13Å; K376-F496 HydrophobicContact CG-CE2 4.06Å; K376-F496 HydrophobicContact CG-CZ 4.4Å |
| 377 | L | 86.7 | Confident | 83.3 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55 | -40.7 | 177.6 | -177.9 | 64.6 | 0 | 0 | 0 | 112.6 | V340 A343 A344 F348 S373 F374 N381 | V340-L377 HydrophobicContact CG1-CB 4.16Å; V340-L377 HydrophobicContact CG1-CD2 3.94Å; A343-L377 HydrophobicContact CB-CD2 3.69Å; A344-L377 HydrophobicContact CB-CD1 3.73Å; A344-L377 HydrophobicContact CB-CD2 4.32Å; F348-L377 HydrophobicContact CD2-CD1 4.29Å; F348-L377 HydrophobicContact CD2-CD2 3.85Å; F348-L377 HydrophobicContact CD2-CG 4.05Å; F348-L377 HydrophobicContact CE2-CD2 3.81Å; F348-L377 HydrophobicContact CE2-CG 4.05Å; S373-L377 WeakPolarHBondContact O-CB 3.24Å; S373-L377 PolarHBondContact O-N 3.19Å; F374-L377 HydrophobicContact CD1-CD2 4.32Å; F374-L377 HydrophobicContact CE1-CD2 4.44Å; F374-L377 PolarHBondContact O-N 3.37Å; L377-N381 WeakPolarHBondContact CD1-ND2 3.39Å; L377-N381 WeakPolarHBondContact O-CB 3.42Å; L377-N381 PolarHBondContact O-N 3.4Å; L377-N381 VanDerWaalsContact O-N 3.1Å; L377-N381 PolarHBondContact O-ND2 2.79Å |
| 378 | F | 86.9 | Confident | 83 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.2 | -43.1 | 178.7 | -59.9 | -29.1 | 0 | 0 | 0 | 113.1 | L331 M335 F348 A362 M363 A366 F374 V375 K376 D380 N381 L383 | L331-F378 HydrophobicContact CD1-CE1 3.99Å; L331-F378 HydrophobicContact CD1-CZ 4.24Å; L331-F378 HydrophobicContact CD2-CE1 4.2Å; L331-F378 HydrophobicContact CD2-CZ 4.39Å; M335-F378 HydrophobicContact SD-CE2 4.37Å; M335-F378 HydrophobicContact SD-CZ 3.94Å; F348-F378 HydrophobicContact CE2-CD1 4.25Å; F348-F378 HydrophobicContact CE2-CE1 4.09Å; F348-F378 AromaticContact CZ-CD1 3.85Å; F348-F378 HydrophobicContact CZ-CD1 3.85Å; F348-F378 AromaticContact CZ-CE1 3.93Å; F348-F378 HydrophobicContact CZ-CE1 3.93Å; A362-F378 HydrophobicContact CB-CE2 3.87Å; A362-F378 HydrophobicContact CB-CZ 3.74Å; M363-F378 HydrophobicContact CB-CD2 4.22Å; M363-F378 HydrophobicContact CE-CB 3.73Å; M363-F378 HydrophobicContact CE-CD2 4.2Å; M363-F378 HydrophobicContact SD-CD2 4.23Å; A366-F378 HydrophobicContact CB-CD2 4.45Å; A366-F378 HydrophobicContact CB-CE2 3.92Å; F374-F378 HydrophobicContact CB-CE2 4.15Å; F374-F378 HydrophobicContact CB-CZ 4.25Å; F374-F378 AromaticContact CD1-CE1 3.99Å; F374-F378 HydrophobicContact CD1-CE1 3.99Å; F374-F378 HydrophobicContact CD1-CE2 4.41Å; F374-F378 AromaticContact CD1-CZ 3.68Å; F374-F378 HydrophobicContact CD1-CZ 3.68Å; F374-F378 HydrophobicContact CG-CZ 4.41Å; F374-F378 VanDerWaalsContact O-CD2 3.24Å; F374-F378 WeakPolarHBondContact O-CD2 3.39Å; F374-F378 WeakPolarHBondContact O-CG 3.36Å; F374-F378 PolarHBondContact O-N 2.79Å; V375-F378 PolarHBondContact O-N 2.96Å; K376-F378 VanDerWaalsContact C-N 3.27Å; K376-F378 PolarHBondContact O-N 3.36Å; F378-D380 VanDerWaalsContact C-N 3.32Å; F378-D380 PolarHBondContact O-N 3.24Å; F378-N381 PolarHBondContact O-N 3.25Å; F378-L383 HydrophobicContact CB-CB 4.43Å; F378-L383 HydrophobicContact CB-CD1 4.12Å; F378-L383 WeakPolarHBondContact O-CB 3.32Å; F378-L383 PolarHBondContact O-N 3.5Å; F378-L383 VanDerWaalsContact O-N 3.14Å |
| 379 | L | 84.1 | Confident | 82.9 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 176.3 | -66.4 | 175.8 | 0 | 0 | 0 | 111.3 | M363 V375 K376 N381 G382 L383 L385 F496 R500 | M363-L379 HydrophobicContact CE-CD2 3.86Å; M363-L379 HydrophobicContact CE-CG 3.91Å; V375-L379 HydrophobicContact CG1-CD1 4.08Å; V375-L379 VanDerWaalsContact O-CG 3.31Å; V375-L379 WeakPolarHBondContact O-CG 3.49Å; V375-L379 PolarHBondContact O-N 3.25Å; K376-L379 PolarHBondContact O-N 3.31Å; L379-N381 VanDerWaalsContact C-N 3.28Å; L379-N381 PolarHBondContact O-N 3.37Å; L379-G382 PolarHBondContact O-N 3.02Å; L379-L383 HydrophobicContact CD2-CD2 4.45Å; L379-L383 WeakPolarHBondContact CD2-O 3.35Å; L379-L385 HydrophobicContact CD2-CB 4.21Å; L379-L385 HydrophobicContact CD2-CD1 4.35Å; L379-F496 HydrophobicContact CD1-CE1 3.88Å; L379-F496 HydrophobicContact CD1-CZ 3.92Å; L379-R500 VanDerWaalsContact CD1-NH1 3.35Å |
| 380 | D | 83.6 | Confident | 82.9 | Confident | 94 Ų | 94 | 40.2 Ų | 40.2 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.9 | -19.7 | -179.5 | -60.4 | -3.2 | 0 | 0 | 0 | 111.6 | K376 F378 R500 | K376-D380 WeakPolarHBondContact CE-OD2 3.42Å; K376-D380 VanDerWaalsContact CG-OD2 3.25Å; K376-D380 WeakPolarHBondContact CG-OD2 3.38Å; K376-D380 VanDerWaalsContact O-CB 3.3Å; K376-D380 WeakPolarHBondContact O-CB 3.4Å; K376-D380 PolarHBondContact O-N 2.96Å; F378-D380 VanDerWaalsContact C-N 3.32Å; F378-D380 PolarHBondContact O-N 3.24Å; D380-R500 IonicContact OD1-CZ 3.91Å; D380-R500 IonicContact OD1-NH1 3.03Å; D380-R500 IonicContact OD1-NH2 3.7Å; D380-R500 PolarHBondContact OD1-NH2 3.01Å |
| 381 | N | 81.1 | Confident | 82.9 | Confident | 54 Ų | 54 | 39.2 Ų | 39.2 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 20.1 | 171.3 | -81.7 | -84.2 | 0 | 0 | 0 | 114.6 | F348 L377 F378 L379 | F348-N381 HydrophobicContact CD1-CB 3.77Å; F348-N381 WeakPolarHBondContact CD1-OD1 3.44Å; F348-N381 HydrophobicContact CE1-CB 3.91Å; L377-N381 WeakPolarHBondContact CD1-ND2 3.39Å; L377-N381 WeakPolarHBondContact O-CB 3.42Å; L377-N381 PolarHBondContact O-N 3.4Å; L377-N381 VanDerWaalsContact O-N 3.1Å; L377-N381 PolarHBondContact O-ND2 2.79Å; F378-N381 PolarHBondContact O-N 3.25Å; L379-N381 VanDerWaalsContact C-N 3.28Å; L379-N381 PolarHBondContact O-N 3.37Å |
| 382 | G | 73.7 | Confident | 82.6 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 5.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L379 Y384 | L379-G382 PolarHBondContact O-N 3.02Å; G382-Y384 WeakPolarHBondContact O-CD2 3.47Å; G382-Y384 WeakPolarHBondContact O-CE2 3.37Å; G382-Y384 PolarHBondContact O-N 3.02Å |
| 383 | L | 78.9 | Confident | 82.5 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | trans | -75.6 | 102.6 | 170.6 | -163.4 | 167.5 | 0 | 0 | 0 | 109.3 | L359 M363 F378 L379 F388 | L359-L383 HydrophobicContact CB-CD1 3.91Å; L359-L383 HydrophobicContact CD2-CB 4.28Å; L359-L383 HydrophobicContact CD2-CD1 4.25Å; L359-L383 HydrophobicContact CG-CD1 4.14Å; M363-L383 HydrophobicContact CB-CD1 3.89Å; M363-L383 HydrophobicContact CE-CD1 4.11Å; M363-L383 HydrophobicContact CE-CD2 4.11Å; M363-L383 HydrophobicContact CG-CD1 4.37Å; F378-L383 HydrophobicContact CB-CB 4.43Å; F378-L383 HydrophobicContact CB-CD1 4.12Å; F378-L383 WeakPolarHBondContact O-CB 3.32Å; F378-L383 PolarHBondContact O-N 3.5Å; F378-L383 VanDerWaalsContact O-N 3.14Å; L379-L383 HydrophobicContact CD2-CD2 4.45Å; L379-L383 WeakPolarHBondContact CD2-O 3.35Å; L383-F388 HydrophobicContact CD2-CB 3.6Å; L383-F388 HydrophobicContact CD2-CG 4.01Å | ||
| 384 | Y | 79.3 | Confident | 82.6 | Confident | 159 Ų | 159 | 35.2 Ų | 35.2 | 62% | 0.624 | 19% | 0.185 | S | C | * | . | trans | -81.6 | 123.2 | 177.9 | -63.5 | -79.8 | 0 | 0 | 0 | 111.5 | G382 N386 T387 F388 | G382-Y384 WeakPolarHBondContact O-CD2 3.47Å; G382-Y384 WeakPolarHBondContact O-CE2 3.37Å; G382-Y384 PolarHBondContact O-N 3.02Å; Y384-N386 PolarHBondContact O-N 3.24Å; Y384-N386 VanDerWaalsContact O-N 3.08Å; Y384-T387 PolarHBondContact O-N 3Å; Y384-F388 PolarHBondContact O-N 3.48Å; Y384-F388 VanDerWaalsContact O-N 3.13Å | ||
| 385 | L | 78.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -27.9 | 179.2 | -159.2 | 75.8 | 0 | 0 | 0 | 112.7 | L379 T387 F388 L389 P477 Y478 L481 | L379-L385 HydrophobicContact CD2-CB 4.21Å; L379-L385 HydrophobicContact CD2-CD1 4.35Å; L385-T387 VanDerWaalsContact C-N 3.32Å; L385-T387 PolarHBondContact O-N 3.47Å; L385-F388 HydrophobicContact CD1-CD1 3.88Å; L385-F388 HydrophobicContact CD1-CE1 4.41Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 PolarHBondContact O-N 2.71Å; L385-P477 HydrophobicContact CB-CG 4.12Å; L385-P477 HydrophobicContact CD2-CB 4.02Å; L385-P477 HydrophobicContact CD2-CG 4.02Å; L385-P477 HydrophobicContact CG-CB 4.02Å; L385-P477 HydrophobicContact CG-CG 4.09Å; L385-Y478 HydrophobicContact CB-CE2 4.21Å; L385-Y478 HydrophobicContact CD2-CD1 3.63Å; L385-Y478 HydrophobicContact CD2-CD2 3.97Å; L385-Y478 HydrophobicContact CD2-CE1 3.68Å; L385-Y478 HydrophobicContact CD2-CE2 4.02Å; L385-Y478 HydrophobicContact CD2-CG 3.77Å; L385-L481 HydrophobicContact CD1-CD2 4.06Å; L385-L481 HydrophobicContact CD2-CD2 4.06Å |
| 386 | N | 75.9 | Confident | 82.2 | Confident | 91 Ų | 91 | 41.3 Ų | 41.3 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 176 | -54.3 | 1 | 0 | 0 | 0 | 112 | Y384 H473 P477 | Y384-N386 PolarHBondContact O-N 3.24Å; Y384-N386 VanDerWaalsContact O-N 3.08Å; N386-H473 PolarHBondContact O-ND1 2.85Å; N386-P477 WeakPolarHBondContact OD1-CG 3.46Å |
| 387 | T | 77.9 | Confident | 82.2 | Confident | 76 Ų | 76 | 36.7 Ų | 36.7 | 47% | 0.466 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -79.9 | -47.8 | 179.6 | -44.8 | 0 | 0 | 0 | 0 | 110.3 | Y384 L385 H473 | Y384-T387 PolarHBondContact O-N 3Å; L385-T387 VanDerWaalsContact C-N 3.32Å; L385-T387 PolarHBondContact O-N 3.47Å; T387-H473 PolarHBondContact O-CE1 2.88Å; T387-H473 PolarHBondContact O-ND1 2.85Å |
| 388 | F | 81.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | -177 | 165.5 | -104.8 | 0 | 0 | 0 | 114.1 | E360 M363 I364 L367 L383 Y384 L385 T390 C393 | E360-F388 HydrophobicContact CB-CD2 4.03Å; E360-F388 HydrophobicContact CB-CE2 4.09Å; E360-F388 HydrophobicContact CG-CD2 3.83Å; E360-F388 HydrophobicContact CG-CE2 4.38Å; M363-F388 HydrophobicContact CB-CD2 4.47Å; M363-F388 HydrophobicContact CB-CE2 3.91Å; M363-F388 HydrophobicContact CB-CZ 3.94Å; M363-F388 HydrophobicContact CG-CD1 4.11Å; M363-F388 HydrophobicContact CG-CD2 4.33Å; M363-F388 HydrophobicContact CG-CE1 3.57Å; M363-F388 HydrophobicContact CG-CE2 3.82Å; M363-F388 HydrophobicContact CG-CG 4.45Å; M363-F388 HydrophobicContact CG-CZ 3.4Å; M363-F388 VanDerWaalsContact CG-CZ 3.4Å; I364-F388 HydrophobicContact CD1-CE2 4.39Å; I364-F388 HydrophobicContact CG1-CE2 3.85Å; I364-F388 HydrophobicContact CG1-CZ 3.79Å; L367-F388 HydrophobicContact CD1-CE1 3.79Å; L367-F388 HydrophobicContact CD1-CZ 4Å; L383-F388 HydrophobicContact CD2-CB 3.6Å; L383-F388 HydrophobicContact CD2-CG 4.01Å; Y384-F388 PolarHBondContact O-N 3.48Å; Y384-F388 VanDerWaalsContact O-N 3.13Å; L385-F388 HydrophobicContact CD1-CD1 3.88Å; L385-F388 HydrophobicContact CD1-CE1 4.41Å; F388-T390 VanDerWaalsContact C-N 3.31Å; F388-T390 PolarHBondContact O-N 2.93Å; F388-C393 VanDerWaalsContact CE2-SG 3.56Å; F388-C393 VanDerWaalsContact CZ-SG 3.51Å; F388-C393 WeakPolarHBondContact O-CB 3.45Å |
| 389 | L | 83.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -83.2 | 79.1 | -172.5 | -154.7 | 77 | 0 | 0 | 0 | 111.3 | L385 L394 L397 F474 P477 E480 L481 | L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 PolarHBondContact O-N 2.71Å; L389-L394 HydrophobicContact CD1-CD1 4.36Å; L389-L397 HydrophobicContact CD1-CD1 4.02Å; L389-F474 HydrophobicContact CD2-CD2 4.33Å; L389-F474 HydrophobicContact CG-CD2 4.37Å; L389-F474 VanDerWaalsContact O-CD2 3.25Å; L389-F474 WeakPolarHBondContact O-CD2 3.46Å; L389-P477 HydrophobicContact CB-CB 3.69Å; L389-P477 HydrophobicContact CD2-CB 3.71Å; L389-P477 WeakPolarHBondContact CD2-O 3.34Å; L389-P477 HydrophobicContact CG-CB 4.35Å; L389-E480 HydrophobicContact CD2-CB 4.17Å; L389-L481 HydrophobicContact CD1-CD1 4.42Å; L389-L481 HydrophobicContact CD2-CB 4.17Å | ||
| 390 | T | 83.4 | Confident | 81.4 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -86.1 | 164.1 | 168.7 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | F388 D392 C393 L394 G472 | F388-T390 VanDerWaalsContact C-N 3.31Å; F388-T390 PolarHBondContact O-N 2.93Å; T390-D392 VanDerWaalsContact C-N 3.31Å; T390-D392 PolarHBondContact O-N 2.86Å; T390-C393 WeakPolarHBondContact O-CB 3.43Å; T390-C393 PolarHBondContact O-N 2.84Å; T390-C393 WeakPolarHBondContact OG1-CB 3.12Å; T390-C393 PolarHBondContact OG1-N 2.85Å; T390-L394 PolarHBondContact O-N 3.26Å; T390-G472 CarbonylContact C-O 3.53Å; T390-G472 VanDerWaalsContact CA-O 3.28Å; T390-G472 WeakPolarHBondContact CA-O 3.3Å |
| 391 | I | 83 | Confident | 80.8 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -46.7 | -52.6 | 171 | -74.2 | 173.2 | 0 | 0 | 0 | 111.3 | C393 L394 E395 L417 Y445 Y448 G472 F474 | I391-C393 PolarHBondContact O-N 3Å; I391-L394 PolarHBondContact O-N 2.81Å; I391-E395 PolarHBondContact O-N 3.19Å; I391-L417 HydrophobicContact CB-CD1 4.46Å; I391-L417 HydrophobicContact CG2-CD1 3.96Å; I391-Y445 HydrophobicContact CG2-CD2 3.93Å; I391-Y445 HydrophobicContact CG2-CE2 3.86Å; I391-Y448 HydrophobicContact CB-CD1 4.38Å; I391-Y448 HydrophobicContact CB-CE1 4.02Å; I391-Y448 HydrophobicContact CD1-CD1 4.27Å; I391-Y448 HydrophobicContact CD1-CG 4.25Å; I391-Y448 HydrophobicContact CG2-CD1 3.96Å; I391-Y448 HydrophobicContact CG2-CE1 3.8Å; I391-G472 PolarHBondContact N-O 2.77Å; I391-F474 HydrophobicContact CG1-CE1 4.41Å; I391-F474 HydrophobicContact CG1-CZ 3.96Å |
| 392 | D | 80.8 | Confident | 79.8 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 179.2 | -81.5 | 6 | 0 | 0 | 0 | 112.7 | T390 R396 Y448 R452 | T390-D392 VanDerWaalsContact C-N 3.31Å; T390-D392 PolarHBondContact O-N 2.86Å; D392-R396 WeakPolarHBondContact O-CB 3.33Å; D392-R396 VanDerWaalsContact O-CG 3.25Å; D392-R396 WeakPolarHBondContact O-CG 3.48Å; D392-R396 PolarHBondContact O-N 3.47Å; D392-R396 PolarHBondContact O-NE 3.1Å; D392-Y448 WeakPolarHBondContact OD1-CE1 3.44Å; D392-R452 VanDerWaalsContact CG-NH1 3.31Å; D392-R452 IonicContact OD1-CZ 2.61Å; D392-R452 IonicContact OD1-NE 3.41Å; D392-R452 IonicContact OD1-NH1 3.62Å; D392-R452 PolarHBondContact OD1-NH1 2.88Å; D392-R452 VanDerWaalsContact OD2-CD 3.29Å; D392-R452 WeakPolarHBondContact OD2-CD 3.49Å; D392-R452 IonicContact OD2-CZ 3.24Å; D392-R452 VanDerWaalsContact OD2-CZ 3.22Å; D392-R452 IonicContact OD2-NE 3.91Å; D392-R452 PolarHBondContact OD2-NE 3.44Å; D392-R452 IonicContact OD2-NH1 2.77Å; D392-R452 PolarHBondContact OD2-NH1 3.39Å; D392-R452 IonicContact OD2-NH2 3.05Å |
| 393 | C | 85.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 173.5 | -163.5 | 0 | 0 | 0 | 0 | 112.4 | F388 T390 I391 R396 L397 | F388-C393 VanDerWaalsContact CE2-SG 3.56Å; F388-C393 VanDerWaalsContact CZ-SG 3.51Å; F388-C393 WeakPolarHBondContact O-CB 3.45Å; T390-C393 WeakPolarHBondContact O-CB 3.43Å; T390-C393 PolarHBondContact O-N 2.84Å; T390-C393 WeakPolarHBondContact OG1-CB 3.12Å; T390-C393 PolarHBondContact OG1-N 2.85Å; I391-C393 PolarHBondContact O-N 3Å; C393-R396 PolarHBondContact O-N 3.4Å; C393-R396 PolarHBondContact SG-NH2 2.79Å; C393-L397 WeakPolarHBondContact O-CG 3.24Å; C393-L397 PolarHBondContact O-N 3.09Å |
| 394 | L | 86.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.7 | -168.2 | 58.4 | 0 | 0 | 0 | 111.4 | L389 T390 I391 R396 L397 Y398 L417 F474 E480 W484 | L389-L394 HydrophobicContact CD1-CD1 4.36Å; T390-L394 PolarHBondContact O-N 3.26Å; I391-L394 PolarHBondContact O-N 2.81Å; L394-R396 PolarHBondContact O-N 2.78Å; L394-L397 PolarHBondContact O-N 3.34Å; L394-Y398 HydrophobicContact CD1-CD2 3.98Å; L394-Y398 HydrophobicContact CD1-CE2 3.61Å; L394-Y398 HydrophobicContact CD2-CE2 4.24Å; L394-Y398 HydrophobicContact CG-CD2 3.9Å; L394-Y398 HydrophobicContact CG-CE2 3.69Å; L394-Y398 VanDerWaalsContact O-CD2 3.31Å; L394-Y398 WeakPolarHBondContact O-CD2 3.15Å; L394-Y398 PolarHBondContact O-N 3.46Å; L394-L417 HydrophobicContact CD2-CD2 3.76Å; L394-L417 HydrophobicContact CG-CD2 4.12Å; L394-F474 HydrophobicContact CB-CE2 4.09Å; L394-F474 HydrophobicContact CB-CZ 4.34Å; L394-F474 HydrophobicContact CD2-CE1 4.35Å; L394-F474 HydrophobicContact CD2-CE2 3.7Å; L394-F474 HydrophobicContact CD2-CZ 3.54Å; L394-E480 HydrophobicContact CD2-CB 3.8Å; L394-W484 HydrophobicContact CD1-CB 4.34Å |
| 395 | E | 85.6 | Confident | 76.8 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 172.8 | -72.4 | -167.1 | 165.8 | 0 | 0 | 112.7 | I391 L397 N399 K416 L417 Y445 | I391-E395 PolarHBondContact O-N 3.19Å; E395-L397 PolarHBondContact O-N 3.01Å; E395-N399 WeakPolarHBondContact O-CB 3.12Å; E395-N399 PolarHBondContact O-N 2.8Å; E395-N399 PolarHBondContact O-ND2 2.81Å; E395-K416 WeakPolarHBondContact OE1-CA 3.44Å; E395-L417 HydrophobicContact CG-CD1 3.74Å; E395-L417 HydrophobicContact CG-CG 3.72Å; E395-L417 PolarHBondContact OE1-N 2.8Å; E395-Y445 VanDerWaalsContact OE1-CE2 3.32Å; E395-Y445 WeakPolarHBondContact OE1-CE2 3.25Å; E395-Y445 PolarHBondContact OE1-OH 2.72Å |
| 396 | R | 83.9 | Confident | 75.6 | Confident | 110 Ų | 110 | 43 Ų | 43 | 42% | 0.415 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 170.5 | -74.4 | 179.3 | -60.5 | 176.3 | 8.5 | 111.1 | E360 D392 C393 L394 N399 S400 | E360-R396 IonicContact OE2-NH2 3.53Å; E360-R396 PolarHBondContact OE2-NH2 2.89Å; E360-R396 VanDerWaalsContact OE2-NH2 3.09Å; D392-R396 WeakPolarHBondContact O-CB 3.33Å; D392-R396 VanDerWaalsContact O-CG 3.25Å; D392-R396 WeakPolarHBondContact O-CG 3.48Å; D392-R396 PolarHBondContact O-N 3.47Å; D392-R396 PolarHBondContact O-NE 3.1Å; C393-R396 PolarHBondContact O-N 3.4Å; C393-R396 PolarHBondContact SG-NH2 2.79Å; L394-R396 PolarHBondContact O-N 2.78Å; R396-N399 PolarHBondContact O-N 2.91Å; R396-S400 WeakPolarHBondContact O-CB 3.38Å; R396-S400 PolarHBondContact O-N 2.91Å |
| 397 | L | 85.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | -179.9 | -77.2 | 167.5 | 0 | 0 | 0 | 112.6 | I364 L367 L389 C393 L394 E395 N399 S400 L481 W484 | I364-L397 HydrophobicContact CG2-CD2 4.18Å; L367-L397 HydrophobicContact CB-CD2 4.21Å; L367-L397 HydrophobicContact CD1-CD1 4.13Å; L367-L397 HydrophobicContact CD1-CD2 4.27Å; L389-L397 HydrophobicContact CD1-CD1 4.02Å; C393-L397 WeakPolarHBondContact O-CG 3.24Å; C393-L397 PolarHBondContact O-N 3.09Å; L394-L397 PolarHBondContact O-N 3.34Å; E395-L397 PolarHBondContact O-N 3.01Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 2.89Å; L397-S400 PolarHBondContact O-N 3.3Å; L397-S400 PolarHBondContact O-OG 3.35Å; L397-L481 HydrophobicContact CD1-CD1 4.3Å; L397-W484 VanDerWaalsContact C-NE1 3.3Å; L397-W484 HydrophobicContact CB-CZ2 4.28Å; L397-W484 HydrophobicContact CD2-CH2 4.28Å; L397-W484 HydrophobicContact CD2-CZ2 4.04Å; L397-W484 PolarHBondContact O-NE1 2.93Å |
| 398 | Y | 83.6 | Confident | 73 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 176.3 | -82.9 | -82.7 | 0 | 0 | 0 | 112.3 | L394 S400 F403 L417 I420 W484 L487 | L394-Y398 HydrophobicContact CD1-CD2 3.98Å; L394-Y398 HydrophobicContact CD1-CE2 3.61Å; L394-Y398 HydrophobicContact CD2-CE2 4.24Å; L394-Y398 HydrophobicContact CG-CD2 3.9Å; L394-Y398 HydrophobicContact CG-CE2 3.69Å; L394-Y398 VanDerWaalsContact O-CD2 3.31Å; L394-Y398 WeakPolarHBondContact O-CD2 3.15Å; L394-Y398 PolarHBondContact O-N 3.46Å; Y398-S400 VanDerWaalsContact C-N 3.34Å; Y398-F403 HydrophobicContact CD1-CE1 4.37Å; Y398-F403 AromaticContact CD1-CZ 3.8Å; Y398-F403 HydrophobicContact CD1-CZ 3.8Å; Y398-F403 VanDerWaalsContact O-CE2 3.24Å; Y398-F403 WeakPolarHBondContact O-CE2 3.02Å; Y398-F403 VanDerWaalsContact O-CZ 3.32Å; Y398-F403 WeakPolarHBondContact O-CZ 3.4Å; Y398-L417 HydrophobicContact CE2-CD2 4.49Å; Y398-I420 HydrophobicContact CD1-CD1 3.72Å; Y398-I420 HydrophobicContact CD1-CG1 4.11Å; Y398-I420 HydrophobicContact CD1-CG2 4.2Å; Y398-I420 HydrophobicContact CD2-CD1 3.7Å; Y398-I420 HydrophobicContact CE1-CD1 4.3Å; Y398-I420 HydrophobicContact CE1-CG1 4.49Å; Y398-I420 HydrophobicContact CE1-CG2 3.73Å; Y398-I420 HydrophobicContact CE2-CD1 4.28Å; Y398-I420 HydrophobicContact CE2-CG2 4.45Å; Y398-I420 HydrophobicContact CG-CD1 3.42Å; Y398-I420 VanDerWaalsContact CG-CD1 3.42Å; Y398-I420 HydrophobicContact CG-CG1 4.31Å; Y398-W484 AromaticContact CD1-CD1 3.76Å; Y398-W484 AromaticContact CD2-CD1 3.78Å; Y398-W484 HydrophobicContact CE1-CB 4.43Å; Y398-W484 AromaticContact CE1-CD1 3.81Å; Y398-W484 HydrophobicContact CE2-CB 4.08Å; Y398-W484 AromaticContact CE2-CD1 3.83Å; Y398-W484 HydrophobicContact CE2-CG 4.36Å; Y398-W484 AromaticContact CG-CD1 3.72Å; Y398-W484 AromaticContact CZ-CD1 3.83Å; Y398-W484 WeakPolarHBondContact OH-CA 3.43Å; Y398-W484 PolarHBondContact OH-N 3.25Å; Y398-L487 HydrophobicContact CE1-CB 4.47Å; Y398-L487 HydrophobicContact CE1-CD1 3.87Å |
| 399 | N | 82.2 | Confident | 71.2 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -78.1 | -14.6 | 179.1 | -73.9 | -70.5 | 0 | 0 | 0 | 114.3 | E395 R396 L397 V401 L414 Y415 | E395-N399 WeakPolarHBondContact O-CB 3.12Å; E395-N399 PolarHBondContact O-N 2.8Å; E395-N399 PolarHBondContact O-ND2 2.81Å; R396-N399 PolarHBondContact O-N 2.91Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 2.89Å; N399-V401 VanDerWaalsContact C-N 3.33Å; N399-V401 PolarHBondContact O-N 3.47Å; N399-L414 HydrophobicContact CB-CD2 3.91Å; N399-L414 WeakPolarHBondContact OD1-CA 3.04Å; N399-Y415 PolarHBondContact ND2-O 2.87Å; N399-Y415 PolarHBondContact OD1-N 3.17Å |
| 400 | S | 75.6 | Confident | 69.2 | Low | 31 Ų | 31 | 60.3 Ų | 60.3 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.2 | -179.3 | 76.4 | 0 | 0 | 0 | 0 | 115.2 | R368 R396 L397 Y398 | R368-S400 PolarHBondContact NE-O 2.67Å; R368-S400 PolarHBondContact NH2-O 2.81Å; R396-S400 WeakPolarHBondContact O-CB 3.38Å; R396-S400 PolarHBondContact O-N 2.91Å; L397-S400 PolarHBondContact O-N 3.3Å; L397-S400 PolarHBondContact O-OG 3.35Å; Y398-S400 VanDerWaalsContact C-N 3.34Å |
| 401 | V | 69.5 | Low | 67.4 | Low | 25 Ų | 25 | 66.2 Ų | 66.2 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -121.4 | 139.1 | -173.8 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | N399 F403 W484 T488 | N399-V401 VanDerWaalsContact C-N 3.33Å; N399-V401 PolarHBondContact O-N 3.47Å; V401-F403 PolarHBondContact O-N 2.89Å; V401-W484 HydrophobicContact CG2-CZ2 3.93Å; V401-T488 HydrophobicContact CB-CG2 4.13Å; V401-T488 HydrophobicContact CG1-CG2 3.98Å; V401-T488 HydrophobicContact CG2-CG2 4.23Å |
| 402 | T | 60.2 | Low | 65.7 | Low | 118 Ų | 118 | 75.4 Ų | 75.4 | 72% | 0.724 | 40% | 0.396 | S | S | * | . | trans | -85.8 | 107.7 | 174.7 | 46.1 | 0 | 0 | 0 | 0 | 111.2 | S404 | T402-S404 PolarHBondContact O-N 3.31Š| ||
| 403 | F | 62.9 | Low | 64.7 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | trans | -67.8 | 111.9 | 171.4 | -53.9 | -76.6 | 0 | 0 | 0 | 110.8 | Y398 V401 N405 I406 Y415 T488 | Y398-F403 HydrophobicContact CD1-CE1 4.37Å; Y398-F403 AromaticContact CD1-CZ 3.8Å; Y398-F403 HydrophobicContact CD1-CZ 3.8Å; Y398-F403 VanDerWaalsContact O-CE2 3.24Å; Y398-F403 WeakPolarHBondContact O-CE2 3.02Å; Y398-F403 VanDerWaalsContact O-CZ 3.32Å; Y398-F403 WeakPolarHBondContact O-CZ 3.4Å; V401-F403 PolarHBondContact O-N 2.89Å; F403-N405 VanDerWaalsContact C-N 3.29Å; F403-I406 HydrophobicContact CB-CB 3.86Å; F403-I406 HydrophobicContact CB-CD1 4.18Å; F403-I406 HydrophobicContact CB-CG1 4.32Å; F403-I406 HydrophobicContact CD1-CD1 3.84Å; F403-I406 HydrophobicContact CG-CB 4.41Å; F403-I406 HydrophobicContact CG-CD1 4.01Å; F403-Y415 AromaticContact CD2-CE2 3.76Å; F403-Y415 HydrophobicContact CD2-CE2 3.76Å; F403-Y415 HydrophobicContact CE2-CD2 4.17Å; F403-Y415 AromaticContact CE2-CE2 3.85Å; F403-Y415 HydrophobicContact CE2-CE2 3.85Å; F403-T488 HydrophobicContact CE1-CG2 3.79Å; F403-T488 HydrophobicContact CZ-CG2 4.4Å | ||
| 404 | S | 54.8 | Low | 63.8 | Low | 111 Ų | 111 | 84.7 Ų | 84.7 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -68.8 | -30.2 | 169.3 | 54.5 | 0 | 0 | 0 | 0 | 112.4 | T402 | T402-S404 PolarHBondContact O-N 3.31Š|
| 405 | N | 52.5 | Low | 63 | Low | 142 Ų | 142 | 86.4 Ų | 86.4 | 76% | 0.759 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -102.6 | 0.9 | -166.9 | -58 | -4.3 | 0 | 0 | 0 | 113.4 | F403 | F403-N405 VanDerWaalsContact C-N 3.29Š|
| 406 | I | 53.6 | Low | 62.9 | Low | 29 Ų | 29 | 90.1 Ų | 90.1 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -133.6 | 114.1 | -178.3 | -56.3 | 160.4 | 0 | 0 | 0 | 106.9 | F403 K408 V423 | F403-I406 HydrophobicContact CB-CB 3.86Å; F403-I406 HydrophobicContact CB-CD1 4.18Å; F403-I406 HydrophobicContact CB-CG1 4.32Å; F403-I406 HydrophobicContact CD1-CD1 3.84Å; F403-I406 HydrophobicContact CG-CB 4.41Å; F403-I406 HydrophobicContact CG-CD1 4.01Å; I406-K408 PolarHBondContact O-N 3.47Å; I406-V423 HydrophobicContact CD1-CG1 3.84Å; I406-V423 HydrophobicContact CG1-CG1 4.01Å; I406-V423 HydrophobicContact CG2-CG1 4.04Å; I406-V423 HydrophobicContact CG2-CG2 4.07Å |
| 407 | P | 48.6 | Very low | 62.9 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | trans | -65.3 | 132.9 | -178.4 | 26.4 | -33.7 | 0 | 0 | 0 | 110.7 | C409 | P407-C409 PolarHBondContact O-N 3.25Š| ||
| 408 | K | 49.4 | Very low | 62.6 | Low | 143 Ų | 143 | 86 Ų | 86 | 62% | 0.622 | 46% | 0.464 | S | S | * | . | trans | -60 | 119.6 | 167.6 | -77.3 | -174.8 | 174.1 | -171.3 | 0 | 108.9 | I406 M410 Y415 | I406-K408 PolarHBondContact O-N 3.47Å; K408-M410 PolarHBondContact O-N 3.21Å; K408-M410 VanDerWaalsContact O-N 3.17Å; K408-Y415 WeakPolarHBondContact CA-OH 3.13Å; K408-Y415 HydrophobicContact CG-CE2 4.46Å; K408-Y415 WeakPolarHBondContact CG-OH 3.4Å | ||
| 409 | C | 44 | Very low | 62.5 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | trans | -63.8 | 115.7 | 169.9 | -71.9 | 0 | 0 | 0 | 0 | 109 | P407 L411 Y412 | P407-C409 PolarHBondContact O-N 3.25Å; C409-L411 PolarHBondContact O-N 3.49Å; C409-Y412 PolarHBondContact O-N 2.95Å | ||
| 410 | M | 41.9 | Very low | 62.4 | Low | 190 Ų | 190 | 87.4 Ų | 87.4 | 94% | 0.936 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -5.1 | -174.2 | -76.7 | -164.8 | -86.1 | 0 | 0 | 115.9 | K408 | K408-M410 PolarHBondContact O-N 3.21Å; K408-M410 VanDerWaalsContact O-N 3.17Å |
| 411 | L | 44.5 | Very low | 62.8 | Low | 151 Ų | 151 | 86 Ų | 86 | 79% | 0.791 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -18.6 | -175.4 | -79.8 | 155.4 | 0 | 0 | 0 | 114.9 | C409 | C409-L411 PolarHBondContact O-N 3.49Š|
| 412 | Y | 48 | Very low | 63.2 | Low | 196 Ų | 196 | 88.4 Ų | 88.4 | 77% | 0.769 | 48% | 0.476 | S | S | * | . | trans | -141.6 | 134.6 | 179.1 | -67.8 | -73 | 0 | 0 | 0 | 111.7 | C409 L414 | C409-Y412 PolarHBondContact O-N 2.95Å; Y412-L414 VanDerWaalsContact C-N 3.33Å; Y412-L414 PolarHBondContact O-N 3.43Å | ||
| 413 | S | 59.3 | Low | 64.2 | Low | 117 Ų | 117 | 84.6 Ų | 84.6 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -78 | -14.5 | -175.1 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 414 | L | 67.1 | Low | 65 | Low | 116 Ų | 116 | 83.7 Ų | 83.7 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -134.2 | 134.3 | -178 | -66.1 | 169 | 0 | 0 | 0 | 109.8 | N399 Y412 | N399-L414 HydrophobicContact CB-CD2 3.91Å; N399-L414 WeakPolarHBondContact OD1-CA 3.04Å; Y412-L414 VanDerWaalsContact C-N 3.33Å; Y412-L414 PolarHBondContact O-N 3.43Å |
| 415 | Y | 71.1 | Confident | 66.2 | Low | 35 Ų | 35 | 80.4 Ų | 80.4 | 14% | 0.137 | 42% | 0.422 | C | S | . | . | trans | -79.3 | 138.9 | 174 | -60.8 | -81.6 | 0 | 0 | 0 | 111.2 | N399 F403 K408 | N399-Y415 PolarHBondContact ND2-O 2.87Å; N399-Y415 PolarHBondContact OD1-N 3.17Å; F403-Y415 AromaticContact CD2-CE2 3.76Å; F403-Y415 HydrophobicContact CD2-CE2 3.76Å; F403-Y415 HydrophobicContact CE2-CD2 4.17Å; F403-Y415 AromaticContact CE2-CE2 3.85Å; F403-Y415 HydrophobicContact CE2-CE2 3.85Å; K408-Y415 WeakPolarHBondContact CA-OH 3.13Å; K408-Y415 HydrophobicContact CG-CE2 4.46Å; K408-Y415 WeakPolarHBondContact CG-OH 3.4Å | ||
| 416 | K | 82.1 | Confident | 67.3 | Low | 98 Ų | 98 | 84 Ų | 84 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | trans | -97.8 | 157.7 | 168.2 | -60.4 | -179.5 | -179.9 | -176.1 | 0 | 111.4 | E395 T418 D419 I420 | E395-K416 WeakPolarHBondContact OE1-CA 3.44Å; K416-T418 PolarHBondContact O-N 2.98Å; K416-D419 WeakPolarHBondContact CB-OD2 3.45Å; K416-D419 PolarHBondContact N-OD2 3Å; K416-D419 WeakPolarHBondContact O-CB 3.44Å; K416-D419 PolarHBondContact O-N 3.01Å; K416-I420 PolarHBondContact O-N 2.69Å; K416-I420 VanDerWaalsContact O-N 3.16Å | ||
| 417 | L | 83.8 | Confident | 68.5 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.5 | -32.1 | 175.6 | -84.2 | 159.2 | 0 | 0 | 0 | 113.3 | I391 L394 E395 Y398 D419 G421 Y436 F441 Y445 F474 | I391-L417 HydrophobicContact CB-CD1 4.46Å; I391-L417 HydrophobicContact CG2-CD1 3.96Å; L394-L417 HydrophobicContact CD2-CD2 3.76Å; L394-L417 HydrophobicContact CG-CD2 4.12Å; E395-L417 HydrophobicContact CG-CD1 3.74Å; E395-L417 HydrophobicContact CG-CG 3.72Å; E395-L417 PolarHBondContact OE1-N 2.8Å; Y398-L417 HydrophobicContact CE2-CD2 4.49Å; L417-D419 PolarHBondContact O-N 3.26Å; L417-G421 PolarHBondContact O-N 3.29Å; L417-Y436 HydrophobicContact CD2-CD1 4.19Å; L417-Y436 HydrophobicContact CD2-CD2 4.4Å; L417-Y436 HydrophobicContact CD2-CE1 3.84Å; L417-Y436 HydrophobicContact CD2-CE2 4.07Å; L417-Y436 HydrophobicContact CD2-CG 4.46Å; L417-Y436 VanDerWaalsContact O-CB 3.26Å; L417-Y436 WeakPolarHBondContact O-CB 3.47Å; L417-Y436 WeakPolarHBondContact O-CD2 3.42Å; L417-F441 HydrophobicContact CB-CE1 4.3Å; L417-F441 HydrophobicContact CB-CZ 4.4Å; L417-F441 HydrophobicContact CD1-CZ 4.36Å; L417-Y445 HydrophobicContact CB-CE2 4.34Å; L417-Y445 HydrophobicContact CD1-CE2 4.5Å; L417-F474 HydrophobicContact CD1-CZ 4.25Å |
| 418 | T | 80.8 | Confident | 69.7 | Low | 24 Ų | 24 | 85.6 Ų | 85.6 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.8 | -33.5 | 173.1 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | K416 G421 V422 R442 Y445 | K416-T418 PolarHBondContact O-N 2.98Å; T418-G421 PolarHBondContact O-N 3.05Å; T418-V422 PolarHBondContact O-N 3.16Å; T418-R442 HydrophobicContact CG2-CG 4.23Å; T418-Y445 HydrophobicContact CG2-CD1 4.34Å; T418-Y445 HydrophobicContact CG2-CE1 4.39Å |
| 419 | D | 79.7 | Confident | 70.5 | Confident | 68 Ų | 68 | 79.9 Ų | 79.9 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -85.6 | -42.1 | -170.9 | -42.2 | -25.5 | 0 | 0 | 0 | 109.2 | K416 L417 G421 V422 V423 | K416-D419 WeakPolarHBondContact CB-OD2 3.45Å; K416-D419 PolarHBondContact N-OD2 3Å; K416-D419 WeakPolarHBondContact O-CB 3.44Å; K416-D419 PolarHBondContact O-N 3.01Å; L417-D419 PolarHBondContact O-N 3.26Å; D419-G421 PolarHBondContact O-N 2.7Å; D419-V422 PolarHBondContact O-N 2.74Å; D419-V423 PolarHBondContact O-N 3.2Å |
| 420 | I | 82.1 | Confident | 71.1 | Confident | 10 Ų | 10 | 78 Ų | 78 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -53.4 | -40.6 | 165.4 | -64.2 | 154.9 | 0 | 0 | 0 | 109.8 | Y398 K416 V422 V423 I424 Y436 L487 | Y398-I420 HydrophobicContact CD1-CD1 3.72Å; Y398-I420 HydrophobicContact CD1-CG1 4.11Å; Y398-I420 HydrophobicContact CD1-CG2 4.2Å; Y398-I420 HydrophobicContact CD2-CD1 3.7Å; Y398-I420 HydrophobicContact CE1-CD1 4.3Å; Y398-I420 HydrophobicContact CE1-CG1 4.49Å; Y398-I420 HydrophobicContact CE1-CG2 3.73Å; Y398-I420 HydrophobicContact CE2-CD1 4.28Å; Y398-I420 HydrophobicContact CE2-CG2 4.45Å; Y398-I420 HydrophobicContact CG-CD1 3.42Å; Y398-I420 VanDerWaalsContact CG-CD1 3.42Å; Y398-I420 HydrophobicContact CG-CG1 4.31Å; K416-I420 PolarHBondContact O-N 2.69Å; K416-I420 VanDerWaalsContact O-N 3.16Å; I420-V422 VanDerWaalsContact C-N 3.34Å; I420-V422 PolarHBondContact O-N 2.85Å; I420-V423 PolarHBondContact O-N 3.17Å; I420-I424 HydrophobicContact CG2-CD1 3.85Å; I420-I424 WeakPolarHBondContact O-CD1 3.22Å; I420-I424 VanDerWaalsContact O-CG1 3.31Å; I420-I424 WeakPolarHBondContact O-CG1 3.49Å; I420-I424 PolarHBondContact O-N 2.95Å; I420-Y436 HydrophobicContact CG2-CD2 4.42Å; I420-Y436 HydrophobicContact CG2-CE2 4.08Å; I420-L487 HydrophobicContact CG2-CD1 4.45Å |
| 421 | G | 82.6 | Confident | 72 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.6 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | L417 T418 D419 E425 S434 | L417-G421 PolarHBondContact O-N 3.29Å; T418-G421 PolarHBondContact O-N 3.05Å; D419-G421 PolarHBondContact O-N 2.7Å; G421-E425 WeakPolarHBondContact O-CG 3.25Å; G421-E425 PolarHBondContact O-N 3.49Å; G421-E425 VanDerWaalsContact O-N 3.09Å; G421-S434 VanDerWaalsContact C-OG 3.24Å; G421-S434 WeakPolarHBondContact CA-OG 3.49Å; G421-S434 WeakPolarHBondContact O-CB 3.43Å; G421-S434 PolarHBondContact O-OG 3.42Å |
| 422 | V | 79 | Confident | 73.2 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.3 | -35.7 | 176.3 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | T418 D419 I420 E425 R426 | T418-V422 PolarHBondContact O-N 3.16Å; D419-V422 PolarHBondContact O-N 2.74Å; I420-V422 VanDerWaalsContact C-N 3.34Å; I420-V422 PolarHBondContact O-N 2.85Å; V422-E425 PolarHBondContact O-N 3.42Å; V422-R426 WeakPolarHBondContact O-CB 3.46Å; V422-R426 PolarHBondContact O-N 3.3Å |
| 423 | V | 80.3 | Confident | 74.3 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 111 | I406 D419 I420 R426 L427 | I406-V423 HydrophobicContact CD1-CG1 3.84Å; I406-V423 HydrophobicContact CG1-CG1 4.01Å; I406-V423 HydrophobicContact CG2-CG1 4.04Å; I406-V423 HydrophobicContact CG2-CG2 4.07Å; D419-V423 PolarHBondContact O-N 3.2Å; I420-V423 PolarHBondContact O-N 3.17Å; V423-R426 WeakPolarHBondContact O-CB 3.48Å; V423-R426 PolarHBondContact O-N 3Å; V423-R426 VanDerWaalsContact O-N 3.15Å; V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 4.32Å; V423-L427 WeakPolarHBondContact O-CG 3.5Å; V423-L427 PolarHBondContact O-N 2.82Å |
| 424 | I | 80.9 | Confident | 75.2 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.3 | -64.6 | 154.5 | 0 | 0 | 0 | 111.1 | I420 R426 L427 M428 F432 Y436 L483 L487 | I420-I424 HydrophobicContact CG2-CD1 3.85Å; I420-I424 WeakPolarHBondContact O-CD1 3.22Å; I420-I424 VanDerWaalsContact O-CG1 3.31Å; I420-I424 WeakPolarHBondContact O-CG1 3.49Å; I420-I424 PolarHBondContact O-N 2.95Å; I424-R426 PolarHBondContact O-N 3.39Å; I424-L427 PolarHBondContact O-N 3.04Å; I424-M428 HydrophobicContact CG2-CG 4.15Å; I424-M428 WeakPolarHBondContact O-CB 3.24Å; I424-M428 WeakPolarHBondContact O-CG 3.14Å; I424-M428 PolarHBondContact O-N 2.85Å; I424-F432 HydrophobicContact CG2-CD1 4.23Å; I424-F432 HydrophobicContact CG2-CE1 3.74Å; I424-Y436 HydrophobicContact CD1-CD2 3.99Å; I424-Y436 HydrophobicContact CD1-CE2 3.69Å; I424-L483 HydrophobicContact CD1-CD1 4.26Å; I424-L483 HydrophobicContact CD1-CD2 3.8Å; I424-L483 HydrophobicContact CD1-CG 4.23Å; I424-L483 HydrophobicContact CG1-CD1 4.45Å; I424-L487 HydrophobicContact CD1-CD1 4.25Å; I424-L487 HydrophobicContact CG1-CD1 4.01Å |
| 425 | E | 79.4 | Confident | 75.7 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -31.9 | 174.3 | -73.7 | 177.1 | 165.8 | 0 | 0 | 112.4 | G421 V422 G429 F432 R433 S434 C437 | G421-E425 WeakPolarHBondContact O-CG 3.25Å; G421-E425 PolarHBondContact O-N 3.49Å; G421-E425 VanDerWaalsContact O-N 3.09Å; V422-E425 PolarHBondContact O-N 3.42Å; E425-G429 CarbonylContact O-C 3.51Å; E425-G429 WeakPolarHBondContact O-CA 2.92Å; E425-G429 PolarHBondContact O-N 3.09Å; E425-F432 HydrophobicContact CG-CD1 4.44Å; E425-R433 VanDerWaalsContact OE1-CA 3.23Å; E425-R433 WeakPolarHBondContact OE1-CA 3.22Å; E425-R433 WeakPolarHBondContact OE1-CG 3.19Å; E425-S434 PolarHBondContact OE1-N 2.9Å; E425-C437 WeakPolarHBondContact OE1-CB 3.37Å |
| 426 | R | 75.8 | Confident | 76.1 | Confident | 218 Ų | 218 | 50.8 Ų | 50.8 | 82% | 0.823 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74.7 | -40.2 | 174.6 | -169.3 | 174.9 | -176.8 | 169.8 | 0.9 | 113 | V422 V423 I424 G429 | V422-R426 WeakPolarHBondContact O-CB 3.46Å; V422-R426 PolarHBondContact O-N 3.3Å; V423-R426 WeakPolarHBondContact O-CB 3.48Å; V423-R426 PolarHBondContact O-N 3Å; V423-R426 VanDerWaalsContact O-N 3.15Å; I424-R426 PolarHBondContact O-N 3.39Å; R426-G429 PolarHBondContact O-N 2.98Å |
| 427 | L | 77.6 | Confident | 75.8 | Confident | 114 Ų | 114 | 46.3 Ų | 46.3 | 60% | 0.597 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.8 | -46 | 178.2 | -72.4 | 171 | 0 | 0 | 0 | 112 | V423 I424 G429 L487 | V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 4.32Å; V423-L427 WeakPolarHBondContact O-CG 3.5Å; V423-L427 PolarHBondContact O-N 2.82Å; I424-L427 PolarHBondContact O-N 3.04Å; L427-G429 VanDerWaalsContact C-N 3.28Å; L427-L487 HydrophobicContact CD1-CD2 3.71Å |
| 428 | M | 74.8 | Confident | 75.4 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 28% | 0.276 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.2 | -30.9 | 172.2 | -64.4 | -68 | -77.9 | 0 | 0 | 110.8 | I424 F432 W536 L544 R547 | I424-M428 HydrophobicContact CG2-CG 4.15Å; I424-M428 WeakPolarHBondContact O-CB 3.24Å; I424-M428 WeakPolarHBondContact O-CG 3.14Å; I424-M428 PolarHBondContact O-N 2.85Å; M428-F432 HydrophobicContact CB-CB 3.51Å; M428-F432 HydrophobicContact CB-CD1 3.7Å; M428-F432 HydrophobicContact CB-CD2 4.24Å; M428-F432 HydrophobicContact CB-CG 3.53Å; M428-F432 HydrophobicContact CE-CD2 3.7Å; M428-F432 HydrophobicContact CE-CE2 3.75Å; M428-F432 HydrophobicContact CE-CG 4.2Å; M428-F432 HydrophobicContact CE-CZ 4.27Å; M428-F432 HydrophobicContact CG-CB 4.38Å; M428-F432 HydrophobicContact CG-CD1 3.7Å; M428-F432 HydrophobicContact CG-CD2 4.3Å; M428-F432 HydrophobicContact CG-CE1 4.02Å; M428-F432 HydrophobicContact CG-CG 3.85Å; M428-F432 HydrophobicContact CG-CZ 4.46Å; M428-W536 HydrophobicContact CE-CE3 3.83Å; M428-W536 HydrophobicContact CE-CZ3 3.78Å; M428-W536 HydrophobicContact SD-CZ3 4.41Å; M428-L544 HydrophobicContact CE-CD2 4.06Å; M428-R547 PolarHBondContact O-NE 2.9Å; M428-R547 PolarHBondContact O-NH2 2.8Å |
| 429 | G | 65.8 | Low | 75 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | trans | 79.2 | -165.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E425 R426 L427 N431 F432 | E425-G429 CarbonylContact O-C 3.51Å; E425-G429 WeakPolarHBondContact O-CA 2.92Å; E425-G429 PolarHBondContact O-N 3.09Å; R426-G429 PolarHBondContact O-N 2.98Å; L427-G429 VanDerWaalsContact C-N 3.28Å; G429-N431 PolarHBondContact O-N 3.04Å; G429-F432 PolarHBondContact O-N 2.84Å | ||
| 430 | T | 56 | Low | 74.8 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | 127.8 | -171.7 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | F432 R547 F765 | T430-F432 VanDerWaalsContact C-N 3.26Å; T430-F432 PolarHBondContact O-N 3.4Å; T430-R547 PolarHBondContact O-NH1 2.73Å; T430-R547 PolarHBondContact O-NH2 3Å; T430-F765 HydrophobicContact CG2-CE2 4.23Å; T430-F765 HydrophobicContact CG2-CZ 4.48Å |
| 431 | N | 62.3 | Low | 74.8 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 8.8 | 168.8 | -31.3 | -33.9 | 0 | 0 | 0 | 114.4 | G429 H539 E760 | G429-N431 PolarHBondContact O-N 3.04Å; N431-H539 PolarHBondContact O-NE2 3.28Å; N431-E760 HydrophobicContact CB-CB 4.36Å; N431-E760 PolarHBondContact ND2-OE1 2.9Å; N431-E760 PolarHBondContact ND2-OE2 3.05Å; N431-E760 WeakPolarHBondContact OD1-CB 3.49Å |
| 432 | F | 69.7 | Low | 74.7 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | trans | -79.8 | 145.1 | 151.6 | -167 | -104.8 | 0 | 0 | 0 | 109.6 | I424 E425 M428 G429 T430 W536 S537 | I424-F432 HydrophobicContact CG2-CD1 4.23Å; I424-F432 HydrophobicContact CG2-CE1 3.74Å; E425-F432 HydrophobicContact CG-CD1 4.44Å; M428-F432 HydrophobicContact CB-CB 3.51Å; M428-F432 HydrophobicContact CB-CD1 3.7Å; M428-F432 HydrophobicContact CB-CD2 4.24Å; M428-F432 HydrophobicContact CB-CG 3.53Å; M428-F432 HydrophobicContact CE-CD2 3.7Å; M428-F432 HydrophobicContact CE-CE2 3.75Å; M428-F432 HydrophobicContact CE-CG 4.2Å; M428-F432 HydrophobicContact CE-CZ 4.27Å; M428-F432 HydrophobicContact CG-CB 4.38Å; M428-F432 HydrophobicContact CG-CD1 3.7Å; M428-F432 HydrophobicContact CG-CD2 4.3Å; M428-F432 HydrophobicContact CG-CE1 4.02Å; M428-F432 HydrophobicContact CG-CG 3.85Å; M428-F432 HydrophobicContact CG-CZ 4.46Å; G429-F432 PolarHBondContact O-N 2.84Å; T430-F432 VanDerWaalsContact C-N 3.26Å; T430-F432 PolarHBondContact O-N 3.4Å; F432-W536 HydrophobicContact CE2-CB 4.01Å; F432-W536 HydrophobicContact CE2-CD2 4.4Å; F432-W536 AromaticContact CE2-CE3 3.68Å; F432-W536 HydrophobicContact CE2-CE3 3.68Å; F432-W536 AromaticContact CZ-CE3 3.79Å; F432-W536 HydrophobicContact CZ-CE3 3.79Å; F432-W536 HydrophobicContact CZ-CZ3 4.38Å; F432-S537 WeakPolarHBondContact CD2-OG 3.28Å | ||
| 433 | R | 71.2 | Confident | 74.7 | Confident | 112 Ų | 112 | 59.9 Ų | 59.9 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | trans | -126.9 | 122.5 | 166.5 | -167.5 | -175.8 | -175.4 | 163.6 | 5 | 109.4 | E425 C437 S537 | E425-R433 VanDerWaalsContact OE1-CA 3.23Å; E425-R433 WeakPolarHBondContact OE1-CA 3.22Å; E425-R433 WeakPolarHBondContact OE1-CG 3.19Å; R433-C437 PolarHBondContact NE-O 2.94Å; R433-C437 VanDerWaalsContact NE-O 3.08Å; R433-C437 PolarHBondContact NH2-O 3.01Å; R433-S537 PolarHBondContact N-OG 3.47Å; R433-S537 VanDerWaalsContact N-OG 3.16Å; R433-S537 WeakPolarHBondContact O-CB 3.4Å | ||
| 434 | S | 76.7 | Confident | 74.7 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | trans | -74.7 | 149.2 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | G421 E425 Y436 C437 T438 | G421-S434 VanDerWaalsContact C-OG 3.24Å; G421-S434 WeakPolarHBondContact CA-OG 3.49Å; G421-S434 WeakPolarHBondContact O-CB 3.43Å; G421-S434 PolarHBondContact O-OG 3.42Å; E425-S434 PolarHBondContact OE1-N 2.9Å; S434-Y436 PolarHBondContact O-N 3.08Å; S434-C437 PolarHBondContact O-N 3.08Å; S434-C437 WeakPolarHBondContact OG-CB 3.34Å; S434-C437 PolarHBondContact OG-N 3.18Å; S434-C437 PolarHBondContact OG-SG 3Å; S434-T438 PolarHBondContact O-N 2.89Å | ||
| 435 | Q | 78.4 | Confident | 74.7 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -55.9 | -41.8 | 176.8 | -65.1 | -170.9 | 81.1 | 0 | 0 | 111 | C437 T438 F441 E480 | Q435-C437 PolarHBondContact O-N 2.71Å; Q435-T438 WeakPolarHBondContact O-CB 3.39Å; Q435-T438 WeakPolarHBondContact O-CG2 3.43Å; Q435-T438 PolarHBondContact O-N 2.86Å; Q435-T438 PolarHBondContact O-OG1 3.11Å; Q435-F441 VanDerWaalsContact O-CB 3.24Å; Q435-F441 WeakPolarHBondContact O-CB 3.24Å; Q435-E480 PolarHBondContact NE2-OE1 3.03Å |
| 436 | Y | 78.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -62.2 | -23.4 | 177.3 | -43.1 | -43.2 | 0 | 0 | 0 | 114.1 | L417 I420 I424 S434 F441 E480 L483 | L417-Y436 HydrophobicContact CD2-CD1 4.19Å; L417-Y436 HydrophobicContact CD2-CD2 4.4Å; L417-Y436 HydrophobicContact CD2-CE1 3.84Å; L417-Y436 HydrophobicContact CD2-CE2 4.07Å; L417-Y436 HydrophobicContact CD2-CG 4.46Å; L417-Y436 VanDerWaalsContact O-CB 3.26Å; L417-Y436 WeakPolarHBondContact O-CB 3.47Å; L417-Y436 WeakPolarHBondContact O-CD2 3.42Å; I420-Y436 HydrophobicContact CG2-CD2 4.42Å; I420-Y436 HydrophobicContact CG2-CE2 4.08Å; I424-Y436 HydrophobicContact CD1-CD2 3.99Å; I424-Y436 HydrophobicContact CD1-CE2 3.69Å; S434-Y436 PolarHBondContact O-N 3.08Å; Y436-F441 HydrophobicContact CD1-CE1 4.16Å; Y436-F441 HydrophobicContact CD1-CE2 4.26Å; Y436-F441 AromaticContact CD1-CZ 3.99Å; Y436-F441 HydrophobicContact CD1-CZ 3.99Å; Y436-F441 WeakPolarHBondContact O-CD1 3.31Å; Y436-E480 WeakPolarHBondContact CE1-OE2 3.48Å; Y436-E480 PolarHBondContact OH-OE2 3.26Å; Y436-L483 HydrophobicContact CE2-CD2 4.14Å |
| 437 | C | 75.6 | Confident | 75 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -94.9 | 5.5 | 175 | -74.4 | 0 | 0 | 0 | 0 | 114.1 | E425 R433 S434 Q435 R442 | E425-C437 WeakPolarHBondContact OE1-CB 3.37Å; R433-C437 PolarHBondContact NE-O 2.94Å; R433-C437 VanDerWaalsContact NE-O 3.08Å; R433-C437 PolarHBondContact NH2-O 3.01Å; S434-C437 PolarHBondContact O-N 3.08Å; S434-C437 WeakPolarHBondContact OG-CB 3.34Å; S434-C437 PolarHBondContact OG-N 3.18Å; S434-C437 PolarHBondContact OG-SG 3Å; Q435-C437 PolarHBondContact O-N 2.71Å; C437-R442 PolarHBondContact SG-NH2 2.87Å |
| 438 | T | 76.9 | Confident | 74.9 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -72.2 | 152.6 | 171.4 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | S434 Q435 A440 F441 R442 | S434-T438 PolarHBondContact O-N 2.89Å; Q435-T438 WeakPolarHBondContact O-CB 3.39Å; Q435-T438 WeakPolarHBondContact O-CG2 3.43Å; Q435-T438 PolarHBondContact O-N 2.86Å; Q435-T438 PolarHBondContact O-OG1 3.11Å; T438-A440 VanDerWaalsContact C-N 3.33Å; T438-F441 VanDerWaalsContact OG1-CB 3.25Å; T438-F441 WeakPolarHBondContact OG1-CB 2.7Å; T438-F441 PolarHBondContact OG1-N 3.21Å; T438-F441 VanDerWaalsContact OG1-N 3.16Å; T438-R442 WeakPolarHBondContact O-CB 3.17Å; T438-R442 WeakPolarHBondContact O-CG 2.94Å; T438-R442 PolarHBondContact O-N 3.16Å |
| 439 | H | 72.4 | Confident | 74.9 | Confident | 145 Ų | 145 | 56 Ų | 56 | 67% | 0.671 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 175.4 | -171.9 | -65.3 | 0 | 0 | 0 | 111.3 | R442 T443 | H439-R442 PolarHBondContact O-N 3.47Å; H439-T443 PolarHBondContact CE1-OG1 2.77Å; H439-T443 PolarHBondContact ND1-OG1 3.1Å; H439-T443 VanDerWaalsContact ND1-OG1 3.11Å; H439-T443 WeakPolarHBondContact O-CB 3.47Å; H439-T443 PolarHBondContact O-N 2.87Å; H439-T443 PolarHBondContact O-OG1 3.47Å |
| 440 | A | 75.4 | Confident | 75.3 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.6 | -51.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | T438 T443 N444 | T438-A440 VanDerWaalsContact C-N 3.33Å; A440-T443 PolarHBondContact O-N 3.45Å; A440-N444 PolarHBondContact O-N 3.07Å |
| 441 | F | 81.4 | Confident | 76 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -49 | 176.6 | -172.6 | -90.7 | 0 | 0 | 0 | 111.8 | L417 Q435 Y436 T438 T443 N444 Y445 F474 | L417-F441 HydrophobicContact CB-CE1 4.3Å; L417-F441 HydrophobicContact CB-CZ 4.4Å; L417-F441 HydrophobicContact CD1-CZ 4.36Å; Q435-F441 VanDerWaalsContact O-CB 3.24Å; Q435-F441 WeakPolarHBondContact O-CB 3.24Å; Y436-F441 HydrophobicContact CD1-CE1 4.16Å; Y436-F441 HydrophobicContact CD1-CE2 4.26Å; Y436-F441 AromaticContact CD1-CZ 3.99Å; Y436-F441 HydrophobicContact CD1-CZ 3.99Å; Y436-F441 WeakPolarHBondContact O-CD1 3.31Å; T438-F441 VanDerWaalsContact OG1-CB 3.25Å; T438-F441 WeakPolarHBondContact OG1-CB 2.7Å; T438-F441 PolarHBondContact OG1-N 3.21Å; T438-F441 VanDerWaalsContact OG1-N 3.16Å; F441-T443 VanDerWaalsContact C-N 3.28Å; F441-T443 PolarHBondContact O-N 3.1Å; F441-N444 PolarHBondContact O-N 3.23Å; F441-N444 VanDerWaalsContact O-N 3.11Å; F441-Y445 HydrophobicContact CE1-CD2 4.09Å; F441-Y445 HydrophobicContact CE1-CG 4.2Å; F441-Y445 HydrophobicContact CZ-CD2 4.32Å; F441-Y445 VanDerWaalsContact O-CB 3.27Å; F441-Y445 WeakPolarHBondContact O-CB 3.3Å; F441-Y445 PolarHBondContact O-N 3.21Å; F441-F474 AromaticContact CE2-CE1 3.94Å; F441-F474 HydrophobicContact CE2-CE1 3.94Å; F441-F474 HydrophobicContact CZ-CE1 4.38Å |
| 442 | R | 80.6 | Confident | 76.3 | Confident | 113 Ų | 113 | 61 Ų | 61 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -35.2 | 179.5 | -73.8 | -175.1 | 179.3 | -172.4 | 2.7 | 113.1 | T418 C437 T438 H439 K446 | T418-R442 HydrophobicContact CG2-CG 4.23Å; C437-R442 PolarHBondContact SG-NH2 2.87Å; T438-R442 WeakPolarHBondContact O-CB 3.17Å; T438-R442 WeakPolarHBondContact O-CG 2.94Å; T438-R442 PolarHBondContact O-N 3.16Å; H439-R442 PolarHBondContact O-N 3.47Å; R442-K446 VanDerWaalsContact O-CB 3.28Å; R442-K446 WeakPolarHBondContact O-CB 3.31Å; R442-K446 PolarHBondContact O-N 3.12Å |
| 443 | T | 78.4 | Confident | 76.2 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 174 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | H439 A440 F441 K447 | H439-T443 PolarHBondContact CE1-OG1 2.77Å; H439-T443 PolarHBondContact ND1-OG1 3.1Å; H439-T443 VanDerWaalsContact ND1-OG1 3.11Å; H439-T443 WeakPolarHBondContact O-CB 3.47Å; H439-T443 PolarHBondContact O-N 2.87Å; H439-T443 PolarHBondContact O-OG1 3.47Å; A440-T443 PolarHBondContact O-N 3.45Å; F441-T443 VanDerWaalsContact C-N 3.28Å; F441-T443 PolarHBondContact O-N 3.1Å; T443-K447 WeakPolarHBondContact O-CG 3.29Å; T443-K447 PolarHBondContact O-N 2.99Å; T443-K447 VanDerWaalsContact O-N 3.12Å |
| 444 | N | 80.6 | Confident | 75.6 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 177.3 | -166.7 | 51.3 | 0 | 0 | 0 | 111.6 | A440 F441 K446 K447 Y448 T471 | A440-N444 PolarHBondContact O-N 3.07Å; F441-N444 PolarHBondContact O-N 3.23Å; F441-N444 VanDerWaalsContact O-N 3.11Å; N444-K446 PolarHBondContact O-N 2.76Å; N444-K447 WeakPolarHBondContact O-CB 3.47Å; N444-K447 PolarHBondContact O-N 2.82Å; N444-Y448 WeakPolarHBondContact O-CB 3.28Å; N444-Y448 PolarHBondContact O-N 3.48Å; N444-T471 PolarHBondContact ND2-O 3.35Å |
| 445 | Y | 81.9 | Confident | 74.5 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175 | -179.1 | -93.2 | 0 | 0 | 0 | 111.9 | I391 E395 L417 T418 F441 K447 Y448 M449 | I391-Y445 HydrophobicContact CG2-CD2 3.93Å; I391-Y445 HydrophobicContact CG2-CE2 3.86Å; E395-Y445 VanDerWaalsContact OE1-CE2 3.32Å; E395-Y445 WeakPolarHBondContact OE1-CE2 3.25Å; E395-Y445 PolarHBondContact OE1-OH 2.72Å; L417-Y445 HydrophobicContact CB-CE2 4.34Å; L417-Y445 HydrophobicContact CD1-CE2 4.5Å; T418-Y445 HydrophobicContact CG2-CD1 4.34Å; T418-Y445 HydrophobicContact CG2-CE1 4.39Å; F441-Y445 HydrophobicContact CE1-CD2 4.09Å; F441-Y445 HydrophobicContact CE1-CG 4.2Å; F441-Y445 HydrophobicContact CZ-CD2 4.32Å; F441-Y445 VanDerWaalsContact O-CB 3.27Å; F441-Y445 WeakPolarHBondContact O-CB 3.3Å; F441-Y445 PolarHBondContact O-N 3.21Å; Y445-K447 PolarHBondContact O-N 3.03Å; Y445-Y448 PolarHBondContact O-N 2.89Å; Y445-M449 HydrophobicContact CD1-CG 4.14Å; Y445-M449 HydrophobicContact CE1-CG 3.8Å; Y445-M449 HydrophobicContact CE2-CG 4.3Å; Y445-M449 HydrophobicContact CE2-SD 4.39Å; Y445-M449 VanDerWaalsContact O-CG 3.29Å; Y445-M449 WeakPolarHBondContact O-CG 3.4Å; Y445-M449 PolarHBondContact O-N 3.19Å |
| 446 | K | 81.4 | Confident | 73.2 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 175.8 | -169.2 | 174.8 | -169 | -82.5 | 0 | 112 | R442 N444 M449 E450 | R442-K446 VanDerWaalsContact O-CB 3.28Å; R442-K446 WeakPolarHBondContact O-CB 3.31Å; R442-K446 PolarHBondContact O-N 3.12Å; N444-K446 PolarHBondContact O-N 2.76Å; K446-M449 PolarHBondContact O-N 3.39Å; K446-E450 HydrophobicContact CG-CG 4.44Å; K446-E450 WeakPolarHBondContact CG-OE1 3.14Å; K446-E450 IonicContact NZ-OE1 3.99Å; K446-E450 PolarHBondContact NZ-OE1 3.13Å; K446-E450 WeakPolarHBondContact O-CB 3.47Å; K446-E450 VanDerWaalsContact O-CG 3.31Å; K446-E450 WeakPolarHBondContact O-CG 3.36Å; K446-E450 PolarHBondContact O-N 2.82Å |
| 447 | K | 78.4 | Confident | 71.5 | Confident | 132 Ų | 132 | 83.7 Ų | 83.7 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 174.4 | -74 | 177.4 | 175.3 | -171.5 | 0 | 112.2 | T443 N444 Y445 E450 V451 | T443-K447 WeakPolarHBondContact O-CG 3.29Å; T443-K447 PolarHBondContact O-N 2.99Å; T443-K447 VanDerWaalsContact O-N 3.12Å; N444-K447 WeakPolarHBondContact O-CB 3.47Å; N444-K447 PolarHBondContact O-N 2.82Å; Y445-K447 PolarHBondContact O-N 3.03Å; K447-E450 PolarHBondContact O-N 3.44Å; K447-V451 WeakPolarHBondContact O-CG2 3.44Å; K447-V451 PolarHBondContact O-N 2.9Å; K447-V451 VanDerWaalsContact O-N 3.09Å |
| 448 | Y | 76 | Confident | 69.8 | Low | 27 Ų | 27 | 89.5 Ų | 89.5 | 11% | 0.106 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.1 | -48 | 177.4 | -178.5 | -97.1 | 0 | 0 | 0 | 111.5 | I391 D392 N444 Y445 V451 R452 | I391-Y448 HydrophobicContact CB-CD1 4.38Å; I391-Y448 HydrophobicContact CB-CE1 4.02Å; I391-Y448 HydrophobicContact CD1-CD1 4.27Å; I391-Y448 HydrophobicContact CD1-CG 4.25Å; I391-Y448 HydrophobicContact CG2-CD1 3.96Å; I391-Y448 HydrophobicContact CG2-CE1 3.8Å; D392-Y448 WeakPolarHBondContact OD1-CE1 3.44Å; N444-Y448 WeakPolarHBondContact O-CB 3.28Å; N444-Y448 PolarHBondContact O-N 3.48Å; Y445-Y448 PolarHBondContact O-N 2.89Å; Y448-V451 PolarHBondContact O-N 3.37Å; Y448-R452 WeakPolarHBondContact O-CB 3.38Å; Y448-R452 PolarHBondContact O-N 2.89Å |
| 449 | M | 75.5 | Confident | 68 | Low | 27 Ų | 27 | 95.1 Ų | 95.1 | 13% | 0.133 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 177.3 | -62.5 | -61.6 | -85.6 | 0 | 0 | 112.3 | Y445 K446 V451 R452 E453 | Y445-M449 HydrophobicContact CD1-CG 4.14Å; Y445-M449 HydrophobicContact CE1-CG 3.8Å; Y445-M449 HydrophobicContact CE2-CG 4.3Å; Y445-M449 HydrophobicContact CE2-SD 4.39Å; Y445-M449 VanDerWaalsContact O-CG 3.29Å; Y445-M449 WeakPolarHBondContact O-CG 3.4Å; Y445-M449 PolarHBondContact O-N 3.19Å; K446-M449 PolarHBondContact O-N 3.39Å; M449-V451 PolarHBondContact O-N 2.84Å; M449-R452 PolarHBondContact O-N 2.79Å; M449-E453 WeakPolarHBondContact O-CB 3.32Å; M449-E453 WeakPolarHBondContact O-CG 3.38Å; M449-E453 PolarHBondContact O-N 3.07Å |
| 450 | E | 74.6 | Confident | 66.4 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -22.7 | 174.3 | -80.3 | 176.8 | -160 | 0 | 0 | 114 | K446 K447 R454 | K446-E450 HydrophobicContact CG-CG 4.44Å; K446-E450 WeakPolarHBondContact CG-OE1 3.14Å; K446-E450 IonicContact NZ-OE1 3.99Å; K446-E450 PolarHBondContact NZ-OE1 3.13Å; K446-E450 WeakPolarHBondContact O-CB 3.47Å; K446-E450 VanDerWaalsContact O-CG 3.31Å; K446-E450 WeakPolarHBondContact O-CG 3.36Å; K446-E450 PolarHBondContact O-N 2.82Å; K447-E450 PolarHBondContact O-N 3.44Å; E450-R454 PolarHBondContact O-NE 3.09Å; E450-R454 PolarHBondContact O-NH2 2.99Å; E450-R454 VanDerWaalsContact O-NH2 3.11Å |
| 451 | V | 70.4 | Confident | 64.9 | Low | 45 Ų | 45 | 96.5 Ų | 96.5 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -83.5 | -50.1 | 170.3 | 171.1 | 0 | 0 | 0 | 0 | 109.5 | K447 Y448 M449 E453 R454 F455 V468 | K447-V451 WeakPolarHBondContact O-CG2 3.44Å; K447-V451 PolarHBondContact O-N 2.9Å; K447-V451 VanDerWaalsContact O-N 3.09Å; Y448-V451 PolarHBondContact O-N 3.37Å; M449-V451 PolarHBondContact O-N 2.84Å; V451-E453 VanDerWaalsContact C-N 3.34Å; V451-E453 PolarHBondContact O-N 2.79Å; V451-R454 PolarHBondContact O-N 3.42Å; V451-R454 VanDerWaalsContact O-N 3.07Å; V451-F455 HydrophobicContact CG1-CD2 4.26Å; V451-F455 HydrophobicContact CG1-CE2 4.25Å; V451-F455 WeakPolarHBondContact O-CD2 3.41Å; V451-F455 PolarHBondContact O-N 3.05Å; V451-V468 HydrophobicContact CG1-CG1 3.85Å; V451-V468 HydrophobicContact CG1-CG2 3.82Å |
| 452 | R | 68.1 | Low | 63.2 | Low | 107 Ų | 107 | 101.8 Ų | 101.8 | 40% | 0.404 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54.4 | -44.7 | -179.8 | -177.9 | 177.5 | 165.4 | -155.9 | -8.6 | 112.8 | D392 Y448 M449 R454 F455 | D392-R452 VanDerWaalsContact CG-NH1 3.31Å; D392-R452 IonicContact OD1-CZ 2.61Å; D392-R452 IonicContact OD1-NE 3.41Å; D392-R452 IonicContact OD1-NH1 3.62Å; D392-R452 PolarHBondContact OD1-NH1 2.88Å; D392-R452 VanDerWaalsContact OD2-CD 3.29Å; D392-R452 WeakPolarHBondContact OD2-CD 3.49Å; D392-R452 IonicContact OD2-CZ 3.24Å; D392-R452 VanDerWaalsContact OD2-CZ 3.22Å; D392-R452 IonicContact OD2-NE 3.91Å; D392-R452 PolarHBondContact OD2-NE 3.44Å; D392-R452 IonicContact OD2-NH1 2.77Å; D392-R452 PolarHBondContact OD2-NH1 3.39Å; D392-R452 IonicContact OD2-NH2 3.05Å; Y448-R452 WeakPolarHBondContact O-CB 3.38Å; Y448-R452 PolarHBondContact O-N 2.89Å; M449-R452 PolarHBondContact O-N 2.79Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-R454 PolarHBondContact O-N 3.04Å; R452-F455 PolarHBondContact O-N 2.68Å |
| 453 | E | 67.2 | Low | 61.4 | Low | 129 Ų | 129 | 102.6 Ų | 102.6 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -64.9 | -32.5 | 178.9 | -72.9 | 176.6 | 174.9 | 0 | 0 | 112.9 | M449 V451 F455 | M449-E453 WeakPolarHBondContact O-CB 3.32Å; M449-E453 WeakPolarHBondContact O-CG 3.38Å; M449-E453 PolarHBondContact O-N 3.07Å; V451-E453 VanDerWaalsContact C-N 3.34Å; V451-E453 PolarHBondContact O-N 2.79Å; E453-F455 VanDerWaalsContact C-N 3.31Å; E453-F455 PolarHBondContact O-N 3.31Å |
| 454 | R | 59.3 | Low | 59.8 | Low | 171 Ų | 171 | 106.2 Ų | 106.2 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -70.3 | -23.8 | 177.7 | -88.5 | -179.6 | -86.3 | -163 | -10.8 | 113.8 | E450 V451 R452 | E450-R454 PolarHBondContact O-NE 3.09Å; E450-R454 PolarHBondContact O-NH2 2.99Å; E450-R454 VanDerWaalsContact O-NH2 3.11Å; V451-R454 PolarHBondContact O-N 3.42Å; V451-R454 VanDerWaalsContact O-N 3.07Å; R452-R454 VanDerWaalsContact C-N 3.32Å; R452-R454 PolarHBondContact O-N 3.04Å |
| 455 | F | 52.5 | Low | 58.1 | Low | 76 Ų | 76 | 107.6 Ų | 107.6 | 33% | 0.333 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -91.5 | 8.4 | -178.6 | -83.8 | -97.7 | 0 | 0 | 0 | 114.3 | V451 R452 E453 Q457 C460 F464 | V451-F455 HydrophobicContact CG1-CD2 4.26Å; V451-F455 HydrophobicContact CG1-CE2 4.25Å; V451-F455 WeakPolarHBondContact O-CD2 3.41Å; V451-F455 PolarHBondContact O-N 3.05Å; R452-F455 PolarHBondContact O-N 2.68Å; E453-F455 VanDerWaalsContact C-N 3.31Å; E453-F455 PolarHBondContact O-N 3.31Å; F455-Q457 VanDerWaalsContact C-N 3.25Å; F455-Q457 PolarHBondContact O-N 3.01Å; F455-C460 HydrophobicContact CD1-CB 4.18Å; F455-C460 WeakPolarHBondContact CD1-O 3.43Å; F455-C460 HydrophobicContact CE1-CB 4.02Å; F455-C460 WeakPolarHBondContact CE1-O 3.34Å; F455-F464 HydrophobicContact CD1-CD2 4.5Å |
| 456 | I | 52.2 | Low | 56.5 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -77.2 | -11.5 | 174.3 | -63.5 | 176.4 | 0 | 0 | 0 | 111.9 | ||
| 457 | Q | 42.3 | Very low | 54.7 | Low | 157 Ų | 157 | 109.8 Ų | 109.8 | 73% | 0.734 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -76.8 | 136.4 | 169.9 | -69.3 | -168.5 | -11.4 | 0 | 0 | 111.7 | F455 L459 | F455-Q457 VanDerWaalsContact C-N 3.25Å; F455-Q457 PolarHBondContact O-N 3.01Å; Q457-L459 PolarHBondContact O-N 3.15Å |
| 458 | P | 40.9 | Very low | 53.2 | Low | 127 Ų | 127 | 105.4 Ų | 105.4 | 83% | 0.825 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 0.3 | -164 | 29.1 | -37.3 | 0 | 0 | 0 | 116.2 | ||
| 459 | L | 39.2 | Very low | 52 | Low | 162 Ų | 162 | 107.2 Ų | 107.2 | 85% | 0.848 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -3.9 | -169.4 | -124.3 | 80.4 | 0 | 0 | 0 | 115.8 | Q457 | Q457-L459 PolarHBondContact O-N 3.15Š|
| 460 | C | 38.2 | Very low | 50.9 | Low | 70 Ų | 70 | 112.9 Ų | 112.9 | 47% | 0.473 | 58% | 0.58 | S | S | . | * | trans | -128.9 | 54.8 | -167.3 | -80.1 | 0 | 0 | 0 | 0 | 115.1 | F455 | F455-C460 HydrophobicContact CD1-CB 4.18Å; F455-C460 WeakPolarHBondContact CD1-O 3.43Å; F455-C460 HydrophobicContact CE1-CB 4.02Å; F455-C460 WeakPolarHBondContact CE1-O 3.34Å | ||
| 461 | Q | 43.1 | Very low | 49.9 | Very low | 180 Ų | 180 | 111.9 Ų | 111.9 | 84% | 0.841 | 58% | 0.579 | S | S | * | * | trans | -77.7 | -19.3 | 170.6 | -80.7 | -174 | -40.8 | 0 | 0 | 114.6 | ||||
| 462 | V | 45.7 | Very low | 49.5 | Very low | 140 Ų | 140 | 109.8 Ų | 109.8 | 85% | 0.848 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -23.8 | -168.1 | -175.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 463 | I | 43.7 | Very low | 49.7 | Very low | 130 Ų | 130 | 107.7 Ų | 107.7 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 50.7 | -175.1 | -39.5 | -178.1 | 0 | 0 | 0 | 111.4 | S465 | I463-S465 VanDerWaalsContact C-N 3.32Š|
| 464 | F | 43.8 | Very low | 50.1 | Low | 132 Ų | 132 | 102.7 Ų | 102.7 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | trans | -91.6 | 8.5 | 171.8 | -141.8 | -95.2 | 0 | 0 | 0 | 113 | F455 | F455-F464 HydrophobicContact CD1-CD2 4.5Š| ||
| 465 | S | 46.1 | Very low | 50.6 | Low | 89 Ų | 89 | 102.9 Ų | 102.9 | 62% | 0.622 | 55% | 0.546 | S | S | * | . | trans | -79 | 129.8 | -164.2 | -162.9 | 0 | 0 | 0 | 0 | 114.4 | I463 A467 | I463-S465 VanDerWaalsContact C-N 3.32Å; S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 3.25Å | ||
| 466 | E | 47.1 | Very low | 51.6 | Low | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 51.7 | -49.5 | 167.1 | -68.5 | -156.2 | 84.4 | 0 | 0 | 120.7 | K470 | E466-K470 PolarHBondContact O-N 3.15Å; E466-K470 IonicContact OE1-NZ 2.67Å; E466-K470 PolarHBondContact OE1-NZ 3.49Å |
| 467 | A | 43.9 | Very low | 52.9 | Low | 74 Ų | 74 | 97.3 Ų | 97.3 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -41.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S465 | S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 3.25Å |
| 468 | V | 48.1 | Very low | 54.7 | Low | 39 Ų | 39 | 92.9 Ų | 92.9 | 24% | 0.236 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -42.2 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | V451 K470 T471 | V451-V468 HydrophobicContact CG1-CG1 3.85Å; V451-V468 HydrophobicContact CG1-CG2 3.82Å; V468-K470 VanDerWaalsContact C-N 3.32Å; V468-K470 PolarHBondContact O-N 3.27Å; V468-T471 PolarHBondContact O-N 2.99Å; V468-T471 PolarHBondContact O-OG1 3.23Å |
| 469 | V | 50.9 | Low | 56.5 | Low | 66 Ų | 66 | 88.2 Ų | 88.2 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -48.6 | -52.6 | 177.7 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | T471 G472 H473 | V469-T471 PolarHBondContact O-N 3.16Å; V469-G472 PolarHBondContact O-N 2.96Å; V469-H473 WeakPolarHBondContact CG1-NE2 3.34Å; V469-H473 PolarHBondContact O-CD2 3.24Å; V469-H473 PolarHBondContact O-NE2 3.21Å |
| 470 | K | 50.9 | Low | 58.6 | Low | 145 Ų | 145 | 80.8 Ų | 80.8 | 63% | 0.63 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -59.3 | -16.1 | 179.2 | -73.6 | 167.6 | -175.5 | 153.9 | 0 | 115.2 | E466 V468 | E466-K470 PolarHBondContact O-N 3.15Å; E466-K470 IonicContact OE1-NZ 2.67Å; E466-K470 PolarHBondContact OE1-NZ 3.49Å; V468-K470 VanDerWaalsContact C-N 3.32Å; V468-K470 PolarHBondContact O-N 3.27Å |
| 471 | T | 55.3 | Low | 60.9 | Low | 51 Ų | 51 | 77.6 Ų | 77.6 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -91 | -15 | 177 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | N444 V468 V469 | N444-T471 PolarHBondContact ND2-O 3.35Å; V468-T471 PolarHBondContact O-N 2.99Å; V468-T471 PolarHBondContact O-OG1 3.23Å; V469-T471 PolarHBondContact O-N 3.16Å |
| 472 | G | 62 | Low | 62.8 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -100.7 | -4.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T390 I391 V469 | T390-G472 CarbonylContact C-O 3.53Å; T390-G472 VanDerWaalsContact CA-O 3.28Å; T390-G472 WeakPolarHBondContact CA-O 3.3Å; I391-G472 PolarHBondContact N-O 2.77Å; V469-G472 PolarHBondContact O-N 2.96Å |
| 473 | H | 72.2 | Confident | 64.5 | Low | 63 Ų | 63 | 64.7 Ų | 64.7 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -91.4 | 151.3 | 179.3 | -61.5 | -78.3 | 0 | 0 | 0 | 112.7 | N386 T387 V469 | N386-H473 PolarHBondContact O-ND1 2.85Å; T387-H473 PolarHBondContact O-CE1 2.88Å; T387-H473 PolarHBondContact O-ND1 2.85Å; V469-H473 WeakPolarHBondContact CG1-NE2 3.34Å; V469-H473 PolarHBondContact O-CD2 3.24Å; V469-H473 PolarHBondContact O-NE2 3.21Å |
| 474 | F | 74.5 | Confident | 66.5 | Low | 24 Ų | 24 | 58.5 Ų | 58.5 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | trans | -91.3 | 136.3 | 171.5 | -57.4 | -81.3 | 0 | 0 | 0 | 111.2 | L389 I391 L394 L417 F441 Q476 E480 | L389-F474 HydrophobicContact CD2-CD2 4.33Å; L389-F474 HydrophobicContact CG-CD2 4.37Å; L389-F474 VanDerWaalsContact O-CD2 3.25Å; L389-F474 WeakPolarHBondContact O-CD2 3.46Å; I391-F474 HydrophobicContact CG1-CE1 4.41Å; I391-F474 HydrophobicContact CG1-CZ 3.96Å; L394-F474 HydrophobicContact CB-CE2 4.09Å; L394-F474 HydrophobicContact CB-CZ 4.34Å; L394-F474 HydrophobicContact CD2-CE1 4.35Å; L394-F474 HydrophobicContact CD2-CE2 3.7Å; L394-F474 HydrophobicContact CD2-CZ 3.54Å; L417-F474 HydrophobicContact CD1-CZ 4.25Å; F441-F474 AromaticContact CE2-CE1 3.94Å; F441-F474 HydrophobicContact CE2-CE1 3.94Å; F441-F474 HydrophobicContact CZ-CE1 4.38Å; F474-Q476 PolarHBondContact O-N 2.93Å; F474-Q476 VanDerWaalsContact O-N 3.15Å; F474-E480 HydrophobicContact CB-CG 4.11Å; F474-E480 HydrophobicContact CD1-CG 3.85Å; F474-E480 HydrophobicContact CD2-CG 4.3Å; F474-E480 HydrophobicContact CE1-CG 4.35Å; F474-E480 HydrophobicContact CG-CG 3.84Å | ||
| 475 | E | 70.3 | Confident | 68.5 | Low | 176 Ų | 176 | 52.2 Ų | 52.2 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -55.9 | -29.7 | 176.6 | -69.8 | 177.7 | 159.2 | 0 | 0 | 114.1 | R535 | E475-R535 IonicContact OE2-NH2 2.87Å; E475-R535 PolarHBondContact OE2-NH2 3.29Å |
| 476 | Q | 73.8 | Confident | 70.2 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | trans | -137.3 | 96.6 | 170.9 | -59.8 | 177.5 | -32.4 | 0 | 0 | 106.7 | F474 Y478 S479 R535 | F474-Q476 PolarHBondContact O-N 2.93Å; F474-Q476 VanDerWaalsContact O-N 3.15Å; Q476-Y478 PolarHBondContact O-N 3.01Å; Q476-S479 PolarHBondContact O-N 3.04Å; Q476-S479 PolarHBondContact O-OG 2.97Å; Q476-S479 VanDerWaalsContact O-OG 3.07Å; Q476-R535 VanDerWaalsContact OE1-CZ 3.25Å | ||
| 477 | P | 80.2 | Confident | 71.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -30.9 | -178.8 | 29.9 | -38.8 | 0 | 0 | 0 | 111.5 | L385 N386 L389 S479 E480 L481 | L385-P477 HydrophobicContact CB-CG 4.12Å; L385-P477 HydrophobicContact CD2-CB 4.02Å; L385-P477 HydrophobicContact CD2-CG 4.02Å; L385-P477 HydrophobicContact CG-CB 4.02Å; L385-P477 HydrophobicContact CG-CG 4.09Å; N386-P477 WeakPolarHBondContact OD1-CG 3.46Å; L389-P477 HydrophobicContact CB-CB 3.69Å; L389-P477 HydrophobicContact CD2-CB 3.71Å; L389-P477 WeakPolarHBondContact CD2-O 3.34Å; L389-P477 HydrophobicContact CG-CB 4.35Å; P477-S479 VanDerWaalsContact C-N 3.34Å; P477-S479 PolarHBondContact O-N 3.48Å; P477-E480 PolarHBondContact O-N 3.18Å; P477-E480 VanDerWaalsContact O-N 3.14Å; P477-L481 PolarHBondContact O-N 3.08Å |
| 478 | Y | 79.5 | Confident | 73.7 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -38.5 | 179.7 | -77.3 | -79.1 | 0 | 0 | 0 | 113.5 | L385 Q476 F482 R500 | L385-Y478 HydrophobicContact CB-CE2 4.21Å; L385-Y478 HydrophobicContact CD2-CD1 3.63Å; L385-Y478 HydrophobicContact CD2-CD2 3.97Å; L385-Y478 HydrophobicContact CD2-CE1 3.68Å; L385-Y478 HydrophobicContact CD2-CE2 4.02Å; L385-Y478 HydrophobicContact CD2-CG 3.77Å; Q476-Y478 PolarHBondContact O-N 3.01Å; Y478-F482 VanDerWaalsContact O-CB 3.25Å; Y478-F482 WeakPolarHBondContact O-CB 3.28Å; Y478-F482 PolarHBondContact O-N 2.99Å; Y478-R500 HydrophobicContact CE1-CB 4.12Å |
| 479 | S | 78.1 | Confident | 75.3 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 20% | 0.203 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.3 | -31.6 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | Q476 P477 L483 R535 | Q476-S479 PolarHBondContact O-N 3.04Å; Q476-S479 PolarHBondContact O-OG 2.97Å; Q476-S479 VanDerWaalsContact O-OG 3.07Å; P477-S479 VanDerWaalsContact C-N 3.34Å; P477-S479 PolarHBondContact O-N 3.48Å; S479-L483 WeakPolarHBondContact O-CB 3.45Å; S479-L483 PolarHBondContact O-N 3.45Å; S479-L483 VanDerWaalsContact O-N 3.1Å; S479-R535 PolarHBondContact OG-NH1 3.39Å |
| 480 | E | 84.3 | Confident | 76.8 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -80.3 | -35.5 | -179.2 | -42.9 | -48.4 | 112.2 | 0 | 0 | 111.2 | L389 L394 Q435 Y436 F474 P477 L483 W484 R535 | L389-E480 HydrophobicContact CD2-CB 4.17Å; L394-E480 HydrophobicContact CD2-CB 3.8Å; Q435-E480 PolarHBondContact NE2-OE1 3.03Å; Y436-E480 WeakPolarHBondContact CE1-OE2 3.48Å; Y436-E480 PolarHBondContact OH-OE2 3.26Å; F474-E480 HydrophobicContact CB-CG 4.11Å; F474-E480 HydrophobicContact CD1-CG 3.85Å; F474-E480 HydrophobicContact CD2-CG 4.3Å; F474-E480 HydrophobicContact CE1-CG 4.35Å; F474-E480 HydrophobicContact CG-CG 3.84Å; P477-E480 PolarHBondContact O-N 3.18Å; P477-E480 VanDerWaalsContact O-N 3.14Å; E480-L483 PolarHBondContact O-N 3.45Å; E480-W484 PolarHBondContact O-N 2.77Å; E480-R535 IonicContact OE1-NH1 3.74Å |
| 481 | L | 86.2 | Confident | 78.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.7 | -38.9 | 171.7 | -169.8 | 68.9 | 0 | 0 | 0 | 112 | L367 L385 L389 L397 P477 W484 A485 I497 | L367-L481 HydrophobicContact CD1-CD1 4.08Å; L367-L481 HydrophobicContact CD2-CD1 4.21Å; L367-L481 HydrophobicContact CD2-CD2 4.05Å; L385-L481 HydrophobicContact CD1-CD2 4.06Å; L385-L481 HydrophobicContact CD2-CD2 4.06Å; L389-L481 HydrophobicContact CD1-CD1 4.42Å; L389-L481 HydrophobicContact CD2-CB 4.17Å; L397-L481 HydrophobicContact CD1-CD1 4.3Å; P477-L481 PolarHBondContact O-N 3.08Å; L481-W484 HydrophobicContact CD1-CE3 3.97Å; L481-W484 PolarHBondContact O-N 3.24Å; L481-A485 WeakPolarHBondContact O-CB 3.3Å; L481-A485 PolarHBondContact O-N 3.42Å; L481-I497 HydrophobicContact CB-CD1 4.26Å; L481-I497 HydrophobicContact CD2-CD1 3.66Å; L481-I497 HydrophobicContact CD2-CG1 4.41Å; L481-I497 HydrophobicContact CG-CD1 3.65Å |
| 482 | F | 82.3 | Confident | 79.4 | Confident | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.1 | -51.9 | 169.9 | 176.1 | -106.5 | 0 | 0 | 0 | 111 | Y478 W484 A485 V486 L494 I497 W498 Y503 F506 | Y478-F482 VanDerWaalsContact O-CB 3.25Å; Y478-F482 WeakPolarHBondContact O-CB 3.28Å; Y478-F482 PolarHBondContact O-N 2.99Å; F482-W484 VanDerWaalsContact C-N 3.3Å; F482-W484 PolarHBondContact O-N 2.92Å; F482-A485 PolarHBondContact O-N 3.36Å; F482-A485 VanDerWaalsContact O-N 3.09Å; F482-V486 HydrophobicContact CD1-CG2 4.32Å; F482-V486 HydrophobicContact CD2-CG2 4.49Å; F482-V486 HydrophobicContact CE1-CG2 4.01Å; F482-V486 HydrophobicContact CE2-CG2 4.18Å; F482-V486 HydrophobicContact CZ-CG2 3.95Å; F482-V486 WeakPolarHBondContact O-CG2 3.37Å; F482-V486 PolarHBondContact O-N 3.21Å; F482-L494 HydrophobicContact CD2-CD2 3.65Å; F482-L494 HydrophobicContact CE2-CD2 3.67Å; F482-I497 HydrophobicContact CB-CG2 3.81Å; F482-I497 HydrophobicContact CD2-CG2 3.99Å; F482-I497 HydrophobicContact CG-CG2 4.39Å; F482-W498 AromaticContact CE2-CE3 3.82Å; F482-W498 HydrophobicContact CE2-CE3 3.82Å; F482-W498 HydrophobicContact CE2-CZ3 4.34Å; F482-W498 HydrophobicContact CZ-CE3 4.06Å; F482-W498 AromaticContact CZ-CZ3 3.98Å; F482-W498 HydrophobicContact CZ-CZ3 3.98Å; F482-Y503 WeakPolarHBondContact CE2-O 3.44Å; F482-F506 HydrophobicContact CE1-CE1 4.31Å; F482-F506 HydrophobicContact CE1-CZ 4.31Å; F482-F506 HydrophobicContact CE2-CZ 4.23Å; F482-F506 AromaticContact CZ-CE1 3.69Å; F482-F506 HydrophobicContact CZ-CE1 3.69Å; F482-F506 AromaticContact CZ-CZ 3.53Å; F482-F506 HydrophobicContact CZ-CZ 3.53Å |
| 483 | L | 82 | Confident | 80.4 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 179.2 | -178.4 | 57.2 | 0 | 0 | 0 | 112.4 | I424 Y436 S479 E480 L487 | I424-L483 HydrophobicContact CD1-CD1 4.26Å; I424-L483 HydrophobicContact CD1-CD2 3.8Å; I424-L483 HydrophobicContact CD1-CG 4.23Å; I424-L483 HydrophobicContact CG1-CD1 4.45Å; Y436-L483 HydrophobicContact CE2-CD2 4.14Å; S479-L483 WeakPolarHBondContact O-CB 3.45Å; S479-L483 PolarHBondContact O-N 3.45Å; S479-L483 VanDerWaalsContact O-N 3.1Å; E480-L483 PolarHBondContact O-N 3.45Å; L483-L487 HydrophobicContact CD1-CD1 4.1Å; L483-L487 HydrophobicContact CD1-CG 4.48Å; L483-L487 HydrophobicContact CG-CD1 4.23Å; L483-L487 WeakPolarHBondContact O-CB 3.46Å; L483-L487 VanDerWaalsContact O-CG 3.28Å; L483-L487 WeakPolarHBondContact O-CG 3.4Å; L483-L487 PolarHBondContact O-N 3.2Å; L483-L487 VanDerWaalsContact O-N 3.08Å |
| 484 | W | 86.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 171.6 | 176.5 | 83.1 | 0 | 0 | 0 | 112.3 | L367 L394 L397 Y398 V401 E480 L481 F482 V486 L487 T488 L493 | L367-W484 HydrophobicContact CB-CH2 4.15Å; L367-W484 HydrophobicContact CB-CZ3 4.15Å; L367-W484 WeakPolarHBondContact O-CH2 3.27Å; L394-W484 HydrophobicContact CD1-CB 4.34Å; L397-W484 VanDerWaalsContact C-NE1 3.3Å; L397-W484 HydrophobicContact CB-CZ2 4.28Å; L397-W484 HydrophobicContact CD2-CH2 4.28Å; L397-W484 HydrophobicContact CD2-CZ2 4.04Å; L397-W484 PolarHBondContact O-NE1 2.93Å; Y398-W484 AromaticContact CD1-CD1 3.76Å; Y398-W484 AromaticContact CD2-CD1 3.78Å; Y398-W484 HydrophobicContact CE1-CB 4.43Å; Y398-W484 AromaticContact CE1-CD1 3.81Å; Y398-W484 HydrophobicContact CE2-CB 4.08Å; Y398-W484 AromaticContact CE2-CD1 3.83Å; Y398-W484 HydrophobicContact CE2-CG 4.36Å; Y398-W484 AromaticContact CG-CD1 3.72Å; Y398-W484 AromaticContact CZ-CD1 3.83Å; Y398-W484 WeakPolarHBondContact OH-CA 3.43Å; Y398-W484 PolarHBondContact OH-N 3.25Å; V401-W484 HydrophobicContact CG2-CZ2 3.93Å; E480-W484 PolarHBondContact O-N 2.77Å; L481-W484 HydrophobicContact CD1-CE3 3.97Å; L481-W484 PolarHBondContact O-N 3.24Å; F482-W484 VanDerWaalsContact C-N 3.3Å; F482-W484 PolarHBondContact O-N 2.92Å; W484-V486 VanDerWaalsContact C-N 3.34Å; W484-V486 PolarHBondContact O-N 2.99Å; W484-L487 PolarHBondContact O-N 3.34Å; W484-T488 HydrophobicContact CD2-CG2 4.39Å; W484-T488 HydrophobicContact CZ2-CG2 4.3Å; W484-T488 WeakPolarHBondContact O-CB 3.39Å; W484-T488 WeakPolarHBondContact O-CG2 3.24Å; W484-T488 PolarHBondContact O-N 2.8Å; W484-T488 PolarHBondContact O-OG1 3.07Å; W484-L493 HydrophobicContact CE3-CD2 4.24Å; W484-L493 HydrophobicContact CZ3-CD2 3.66Å |
| 485 | A | 85.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -33.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | L481 F482 L489 R490 L493 L494 I497 | L481-A485 WeakPolarHBondContact O-CB 3.3Å; L481-A485 PolarHBondContact O-N 3.42Å; F482-A485 PolarHBondContact O-N 3.36Å; F482-A485 VanDerWaalsContact O-N 3.09Å; A485-L489 PolarHBondContact O-N 3.49Å; A485-R490 HydrophobicContact CB-CB 4.44Å; A485-R490 PolarHBondContact O-N 2.88Å; A485-L493 HydrophobicContact CB-CD2 4.04Å; A485-L493 HydrophobicContact CB-CG 4.32Å; A485-L494 HydrophobicContact CB-CD2 3.7Å; A485-L494 HydrophobicContact CB-CG 3.83Å; A485-I497 HydrophobicContact CB-CD1 4.37Å |
| 486 | V | 81.5 | Confident | 80.9 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 31% | 0.309 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.4 | -50.4 | 170.3 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | F482 W484 T488 L489 L494 F506 | F482-V486 HydrophobicContact CD1-CG2 4.32Å; F482-V486 HydrophobicContact CD2-CG2 4.49Å; F482-V486 HydrophobicContact CE1-CG2 4.01Å; F482-V486 HydrophobicContact CE2-CG2 4.18Å; F482-V486 HydrophobicContact CZ-CG2 3.95Å; F482-V486 WeakPolarHBondContact O-CG2 3.37Å; F482-V486 PolarHBondContact O-N 3.21Å; W484-V486 VanDerWaalsContact C-N 3.34Å; W484-V486 PolarHBondContact O-N 2.99Å; V486-T488 VanDerWaalsContact C-N 3.26Å; V486-T488 PolarHBondContact O-N 3.41Å; V486-L489 PolarHBondContact O-N 3.17Å; V486-L494 HydrophobicContact CG2-CD1 4.33Å; V486-L494 HydrophobicContact CG2-CD2 3.57Å; V486-F506 HydrophobicContact CG2-CE2 4.3Å; V486-F506 HydrophobicContact CG2-CZ 3.68Å |
| 487 | L | 82.1 | Confident | 81 | Confident | 41 Ų | 41 | 36.6 Ų | 36.6 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.5 | -20.2 | -177.2 | -70 | 169.6 | 0 | 0 | 0 | 113.6 | Y398 I420 I424 L427 L483 W484 | Y398-L487 HydrophobicContact CE1-CB 4.47Å; Y398-L487 HydrophobicContact CE1-CD1 3.87Å; I420-L487 HydrophobicContact CG2-CD1 4.45Å; I424-L487 HydrophobicContact CD1-CD1 4.25Å; I424-L487 HydrophobicContact CG1-CD1 4.01Å; L427-L487 HydrophobicContact CD1-CD2 3.71Å; L483-L487 HydrophobicContact CD1-CD1 4.1Å; L483-L487 HydrophobicContact CD1-CG 4.48Å; L483-L487 HydrophobicContact CG-CD1 4.23Å; L483-L487 WeakPolarHBondContact O-CB 3.46Å; L483-L487 VanDerWaalsContact O-CG 3.28Å; L483-L487 WeakPolarHBondContact O-CG 3.4Å; L483-L487 PolarHBondContact O-N 3.2Å; L483-L487 VanDerWaalsContact O-N 3.08Å; W484-L487 PolarHBondContact O-N 3.34Å |
| 488 | T | 82.3 | Confident | 80.4 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 7.2 | 175.8 | 58 | 0 | 0 | 0 | 0 | 114.1 | V401 F403 W484 V486 R490 | V401-T488 HydrophobicContact CB-CG2 4.13Å; V401-T488 HydrophobicContact CG1-CG2 3.98Å; V401-T488 HydrophobicContact CG2-CG2 4.23Å; F403-T488 HydrophobicContact CE1-CG2 3.79Å; F403-T488 HydrophobicContact CZ-CG2 4.4Å; W484-T488 HydrophobicContact CD2-CG2 4.39Å; W484-T488 HydrophobicContact CZ2-CG2 4.3Å; W484-T488 WeakPolarHBondContact O-CB 3.39Å; W484-T488 WeakPolarHBondContact O-CG2 3.24Å; W484-T488 PolarHBondContact O-N 2.8Å; W484-T488 PolarHBondContact O-OG1 3.07Å; V486-T488 VanDerWaalsContact C-N 3.26Å; V486-T488 PolarHBondContact O-N 3.41Å; T488-R490 WeakPolarHBondContact O-CD 3.31Å; T488-R490 PolarHBondContact O-NE 3.06Å |
| 489 | L | 81.2 | Confident | 79.8 | Confident | 144 Ų | 144 | 43.6 Ų | 43.6 | 75% | 0.754 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 53.3 | 173.8 | -157.7 | 81.3 | 0 | 0 | 0 | 114.4 | A485 V486 P491 | A485-L489 PolarHBondContact O-N 3.49Å; V486-L489 PolarHBondContact O-N 3.17Å; L489-P491 VanDerWaalsContact O-CD 3.31Å; L489-P491 WeakPolarHBondContact O-CD 3.32Å |
| 490 | R | 82.5 | Confident | 79.3 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | trans | -105.3 | 93.7 | -175.8 | -60.7 | -48.4 | -174 | 109.6 | 10.1 | 112.5 | R368 A485 T488 L493 L494 | R368-R490 PolarHBondContact O-NH1 3.07Å; R368-R490 PolarHBondContact O-NH2 3.08Å; A485-R490 HydrophobicContact CB-CB 4.44Å; A485-R490 PolarHBondContact O-N 2.88Å; T488-R490 WeakPolarHBondContact O-CD 3.31Å; T488-R490 PolarHBondContact O-NE 3.06Å; R490-L493 HydrophobicContact CB-CB 4.17Å; R490-L494 VanDerWaalsContact O-CB 3.3Å; R490-L494 WeakPolarHBondContact O-CB 3.38Å; R490-L494 WeakPolarHBondContact O-CD1 3.2Å; R490-L494 WeakPolarHBondContact O-CG 3.31Å; R490-L494 PolarHBondContact O-N 3.02Å | ||
| 491 | P | 78.9 | Confident | 77.9 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 46% | 0.461 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.7 | -42.9 | -167.8 | 26.8 | -34.5 | 0 | 0 | 0 | 113.2 | D370 L489 L494 E495 | D370-P491 WeakPolarHBondContact OD2-CD 3.25Å; L489-P491 VanDerWaalsContact O-CD 3.31Å; L489-P491 WeakPolarHBondContact O-CD 3.32Å; P491-L494 PolarHBondContact O-N 3.04Å; P491-E495 PolarHBondContact O-N 3.36Å |
| 492 | N | 81.2 | Confident | 76.3 | Confident | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | -176.9 | -53.7 | -82.9 | 0 | 0 | 0 | 109.9 | D370 V372 L494 E495 F496 | D370-N492 PolarHBondContact OD2-N 3.44Å; D370-N492 PolarHBondContact OD2-ND2 3.05Å; V372-N492 HydrophobicContact CG2-CB 3.64Å; V372-N492 VanDerWaalsContact CG2-O 3.24Å; V372-N492 WeakPolarHBondContact CG2-O 3.24Å; N492-L494 VanDerWaalsContact C-N 3.28Å; N492-L494 PolarHBondContact O-N 3.28Å; N492-E495 PolarHBondContact O-N 3.14Å; N492-F496 PolarHBondContact O-N 3.03Å |
| 493 | L | 83.1 | Confident | 74.6 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -33.9 | 175 | -175.5 | 65.1 | 0 | 0 | 0 | 112.5 | L367 D370 W484 A485 R490 F496 I497 | L367-L493 HydrophobicContact CD2-CD1 3.75Å; L367-L493 HydrophobicContact CD2-CD2 3.7Å; L367-L493 HydrophobicContact CD2-CG 4.4Å; D370-L493 WeakPolarHBondContact OD1-CB 3.24Å; D370-L493 PolarHBondContact OD1-N 2.89Å; W484-L493 HydrophobicContact CE3-CD2 4.24Å; W484-L493 HydrophobicContact CZ3-CD2 3.66Å; A485-L493 HydrophobicContact CB-CD2 4.04Å; A485-L493 HydrophobicContact CB-CG 4.32Å; R490-L493 HydrophobicContact CB-CB 4.17Å; L493-F496 HydrophobicContact CD1-CD1 4.37Å; L493-I497 HydrophobicContact CD1-CD1 3.88Å; L493-I497 HydrophobicContact CD1-CG1 4.09Å; L493-I497 HydrophobicContact CD2-CD1 4.26Å; L493-I497 HydrophobicContact CG-CD1 3.67Å; L493-I497 HydrophobicContact CG-CG1 4.25Å; L493-I497 VanDerWaalsContact O-CB 3.26Å; L493-I497 WeakPolarHBondContact O-CB 3.46Å; L493-I497 WeakPolarHBondContact O-CG1 3.46Å; L493-I497 PolarHBondContact O-N 2.77Å |
| 494 | L | 75.7 | Confident | 73.1 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -36.9 | 174.5 | -78.4 | 167.9 | 0 | 0 | 0 | 113 | F482 A485 V486 R490 P491 N492 W498 | F482-L494 HydrophobicContact CD2-CD2 3.65Å; F482-L494 HydrophobicContact CE2-CD2 3.67Å; A485-L494 HydrophobicContact CB-CD2 3.7Å; A485-L494 HydrophobicContact CB-CG 3.83Å; V486-L494 HydrophobicContact CG2-CD1 4.33Å; V486-L494 HydrophobicContact CG2-CD2 3.57Å; R490-L494 VanDerWaalsContact O-CB 3.3Å; R490-L494 WeakPolarHBondContact O-CB 3.38Å; R490-L494 WeakPolarHBondContact O-CD1 3.2Å; R490-L494 WeakPolarHBondContact O-CG 3.31Å; R490-L494 PolarHBondContact O-N 3.02Å; P491-L494 PolarHBondContact O-N 3.04Å; N492-L494 VanDerWaalsContact C-N 3.28Å; N492-L494 PolarHBondContact O-N 3.28Å; L494-W498 VanDerWaalsContact O-CB 3.31Å; L494-W498 WeakPolarHBondContact O-CB 3.11Å; L494-W498 PolarHBondContact O-N 3.38Å |
| 495 | E | 74.7 | Confident | 71.2 | Confident | 135 Ų | 135 | 62.3 Ų | 62.3 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.9 | -48.9 | 174.3 | -173.9 | 167.4 | -148.6 | 0 | 0 | 111 | P491 N492 I497 W498 E499 | P491-E495 PolarHBondContact O-N 3.36Å; N492-E495 PolarHBondContact O-N 3.14Å; E495-I497 PolarHBondContact O-N 3.13Å; E495-W498 WeakPolarHBondContact O-CA 3.42Å; E495-W498 WeakPolarHBondContact O-CB 3.26Å; E495-W498 PolarHBondContact O-N 3.17Å; E495-W498 VanDerWaalsContact O-N 3.08Å; E495-E499 PolarHBondContact O-N 2.91Å |
| 496 | F | 78.2 | Confident | 69.8 | Low | 13 Ų | 13 | 67.7 Ų | 67.7 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.7 | 175.1 | -105.7 | 0 | 0 | 0 | 113.8 | V372 V375 K376 L379 N492 L493 W498 E499 | V372-F496 HydrophobicContact CB-CB 4.43Å; V372-F496 HydrophobicContact CG1-CB 3.63Å; V372-F496 HydrophobicContact CG1-CD1 4.46Å; V372-F496 HydrophobicContact CG1-CD2 3.78Å; V372-F496 HydrophobicContact CG1-CG 3.7Å; V372-F496 HydrophobicContact CG2-CB 3.93Å; V375-F496 HydrophobicContact CG1-CD1 4.3Å; V375-F496 HydrophobicContact CG1-CE1 3.72Å; K376-F496 HydrophobicContact CB-CE2 3.85Å; K376-F496 HydrophobicContact CB-CZ 3.97Å; K376-F496 HydrophobicContact CD-CE2 4.13Å; K376-F496 HydrophobicContact CG-CE2 4.06Å; K376-F496 HydrophobicContact CG-CZ 4.4Å; L379-F496 HydrophobicContact CD1-CE1 3.88Å; L379-F496 HydrophobicContact CD1-CZ 3.92Å; N492-F496 PolarHBondContact O-N 3.03Å; L493-F496 HydrophobicContact CD1-CD1 4.37Å; F496-W498 VanDerWaalsContact C-N 3.31Å; F496-E499 PolarHBondContact O-N 2.91Å |
| 497 | I | 75.3 | Confident | 68.4 | Low | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 174.2 | -69.9 | 173.7 | 0 | 0 | 0 | 109.9 | L481 F482 A485 L493 E495 R500 C501 | L481-I497 HydrophobicContact CB-CD1 4.26Å; L481-I497 HydrophobicContact CD2-CD1 3.66Å; L481-I497 HydrophobicContact CD2-CG1 4.41Å; L481-I497 HydrophobicContact CG-CD1 3.65Å; F482-I497 HydrophobicContact CB-CG2 3.81Å; F482-I497 HydrophobicContact CD2-CG2 3.99Å; F482-I497 HydrophobicContact CG-CG2 4.39Å; A485-I497 HydrophobicContact CB-CD1 4.37Å; L493-I497 HydrophobicContact CD1-CD1 3.88Å; L493-I497 HydrophobicContact CD1-CG1 4.09Å; L493-I497 HydrophobicContact CD2-CD1 4.26Å; L493-I497 HydrophobicContact CG-CD1 3.67Å; L493-I497 HydrophobicContact CG-CG1 4.25Å; L493-I497 VanDerWaalsContact O-CB 3.26Å; L493-I497 WeakPolarHBondContact O-CB 3.46Å; L493-I497 WeakPolarHBondContact O-CG1 3.46Å; L493-I497 PolarHBondContact O-N 2.77Å; E495-I497 PolarHBondContact O-N 3.13Å; I497-R500 CarbonylContact O-C 3.58Å; I497-R500 PolarHBondContact O-N 2.89Å; I497-C501 VanDerWaalsContact CG2-SG 3.51Å; I497-C501 VanDerWaalsContact O-CB 3.26Å; I497-C501 WeakPolarHBondContact O-CB 3.43Å; I497-C501 PolarHBondContact O-N 3.33Å; I497-C501 PolarHBondContact O-SG 3.24Å |
| 498 | W | 67.8 | Low | 67.4 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.5 | -165 | -73.6 | 0 | 0 | 0 | 112.1 | F482 L494 E495 F496 R500 C501 Y503 V504 | F482-W498 AromaticContact CE2-CE3 3.82Å; F482-W498 HydrophobicContact CE2-CE3 3.82Å; F482-W498 HydrophobicContact CE2-CZ3 4.34Å; F482-W498 HydrophobicContact CZ-CE3 4.06Å; F482-W498 AromaticContact CZ-CZ3 3.98Å; F482-W498 HydrophobicContact CZ-CZ3 3.98Å; L494-W498 VanDerWaalsContact O-CB 3.31Å; L494-W498 WeakPolarHBondContact O-CB 3.11Å; L494-W498 PolarHBondContact O-N 3.38Å; E495-W498 WeakPolarHBondContact O-CA 3.42Å; E495-W498 WeakPolarHBondContact O-CB 3.26Å; E495-W498 PolarHBondContact O-N 3.17Å; E495-W498 VanDerWaalsContact O-N 3.08Å; F496-W498 VanDerWaalsContact C-N 3.31Å; W498-R500 PolarHBondContact O-N 3.3Å; W498-R500 VanDerWaalsContact O-N 3.16Å; W498-C501 PolarHBondContact O-N 3.26Å; W498-Y503 VanDerWaalsContact CZ2-C 3.42Å; W498-Y503 WeakPolarHBondContact CZ3-O 3.33Å; W498-V504 HydrophobicContact CD2-CB 3.88Å; W498-V504 HydrophobicContact CD2-CG1 4.45Å; W498-V504 HydrophobicContact CE3-CB 3.92Å; W498-V504 VanDerWaalsContact CH2-C 3.41Å; W498-V504 HydrophobicContact CH2-CB 2.72Å; W498-V504 HydrophobicContact CH2-CG1 4.2Å; W498-V504 HydrophobicContact CH2-CG2 3Å; W498-V504 HydrophobicContact CZ2-CB 2.69Å; W498-V504 HydrophobicContact CZ2-CG1 3.76Å; W498-V504 HydrophobicContact CZ2-CG2 2.71Å; W498-V504 HydrophobicContact CZ3-CB 3.37Å; W498-V504 HydrophobicContact CZ3-CG2 4.28Å; W498-V504 WeakPolarHBondContact CZ3-O 3.19Å |
| 499 | E | 67.7 | Low | 66.5 | Low | 152 Ų | 152 | 75.9 Ų | 75.9 | 71% | 0.71 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.9 | -27.5 | 176.8 | -67.4 | -167.1 | 140.7 | 0 | 0 | 113.5 | E495 F496 | E495-E499 PolarHBondContact O-N 2.91Å; F496-E499 PolarHBondContact O-N 2.91Å |
| 500 | R | 67.1 | Low | 66.2 | Low | 93 Ų | 93 | 69.6 Ų | 69.6 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 3.2 | -179.4 | -65.4 | -176.1 | 171.8 | -169.3 | -2 | 113.6 | L379 D380 Y478 I497 W498 | L379-R500 VanDerWaalsContact CD1-NH1 3.35Å; D380-R500 IonicContact OD1-CZ 3.91Å; D380-R500 IonicContact OD1-NH1 3.03Å; D380-R500 IonicContact OD1-NH2 3.7Å; D380-R500 PolarHBondContact OD1-NH2 3.01Å; Y478-R500 HydrophobicContact CE1-CB 4.12Å; I497-R500 CarbonylContact O-C 3.58Å; I497-R500 PolarHBondContact O-N 2.89Å; W498-R500 PolarHBondContact O-N 3.3Å; W498-R500 VanDerWaalsContact O-N 3.16Å |
| 501 | C | 53.5 | Low | 66.1 | Low | 19 Ų | 19 | 69.1 Ų | 69.1 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -127.2 | 138.5 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | I497 W498 Y503 | I497-C501 VanDerWaalsContact CG2-SG 3.51Å; I497-C501 VanDerWaalsContact O-CB 3.26Å; I497-C501 WeakPolarHBondContact O-CB 3.43Å; I497-C501 PolarHBondContact O-N 3.33Å; I497-C501 PolarHBondContact O-SG 3.24Å; W498-C501 PolarHBondContact O-N 3.26Å; C501-Y503 PolarHBondContact O-N 3.33Å |
| 502 | D | 53 | Low | 66.1 | Low | 146 Ų | 146 | 70.8 Ų | 70.8 | 78% | 0.781 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -62.7 | 2.1 | 163.9 | -67.9 | -52.2 | 0 | 0 | 0 | 113.8 | ||
| 503 | Y | 47.8 | Very low | 66 | Low | 113 Ų | 113 | 70.3 Ų | 70.3 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | trans | -123.2 | 76 | 179.7 | -54.4 | -71.4 | 0 | 0 | 0 | 111.3 | F482 W498 C501 | F482-Y503 WeakPolarHBondContact CE2-O 3.44Å; W498-Y503 VanDerWaalsContact CZ2-C 3.42Å; W498-Y503 WeakPolarHBondContact CZ3-O 3.33Å; C501-Y503 PolarHBondContact O-N 3.33Å | ||
| 504 | V | 50 | Low | 66.2 | Low | 17 Ų | 17 | 70.5 Ų | 70.5 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | 33.4 | 107.6 | 114.8 | -138.1 | 0 | 0 | 0 | 0 | 126.5 | W498 F506 L509 A510 | W498-V504 HydrophobicContact CD2-CB 3.88Å; W498-V504 HydrophobicContact CD2-CG1 4.45Å; W498-V504 HydrophobicContact CE3-CB 3.92Å; W498-V504 VanDerWaalsContact CH2-C 3.41Å; W498-V504 HydrophobicContact CH2-CB 2.72Å; W498-V504 HydrophobicContact CH2-CG1 4.2Å; W498-V504 HydrophobicContact CH2-CG2 3Å; W498-V504 HydrophobicContact CZ2-CB 2.69Å; W498-V504 HydrophobicContact CZ2-CG1 3.76Å; W498-V504 HydrophobicContact CZ2-CG2 2.71Å; W498-V504 HydrophobicContact CZ3-CB 3.37Å; W498-V504 HydrophobicContact CZ3-CG2 4.28Å; W498-V504 WeakPolarHBondContact CZ3-O 3.19Å; V504-F506 VanDerWaalsContact O-CA 3.24Å; V504-F506 WeakPolarHBondContact O-CA 3.29Å; V504-F506 WeakPolarHBondContact O-CD1 3.35Å; V504-F506 PolarHBondContact O-N 3.24Å; V504-L509 HydrophobicContact CG1-CB 3.38Å; V504-A510 HydrophobicContact CB-CB 4.47Å; V504-A510 HydrophobicContact CG1-CB 4.32Å; V504-A510 HydrophobicContact CG2-CB 3.89Å | |||
| 505 | H | 45.1 | Very low | 66.7 | Low | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | trans | -62 | 126.5 | 169.6 | -134.8 | 65.6 | 0 | 0 | 0 | 111.4 | R507 | H505-R507 PolarHBondContact O-N 3.08Š| ||
| 506 | F | 56.5 | Low | 67.2 | Low | 113 Ų | 113 | 70.9 Ų | 70.9 | 50% | 0.496 | 34% | 0.339 | S | S | . | . | S | Bend | -75.2 | -0.1 | -117.2 | -64.5 | -83.5 | 0 | 0 | 0 | 119.9 | F482 V486 V504 | F482-F506 HydrophobicContact CE1-CE1 4.31Å; F482-F506 HydrophobicContact CE1-CZ 4.31Å; F482-F506 HydrophobicContact CE2-CZ 4.23Å; F482-F506 AromaticContact CZ-CE1 3.69Å; F482-F506 HydrophobicContact CZ-CE1 3.69Å; F482-F506 AromaticContact CZ-CZ 3.53Å; F482-F506 HydrophobicContact CZ-CZ 3.53Å; V486-F506 HydrophobicContact CG2-CE2 4.3Å; V486-F506 HydrophobicContact CG2-CZ 3.68Å; V504-F506 VanDerWaalsContact O-CA 3.24Å; V504-F506 WeakPolarHBondContact O-CA 3.29Å; V504-F506 WeakPolarHBondContact O-CD1 3.35Å; V504-F506 PolarHBondContact O-N 3.24Å | |
| 507 | R | 53.7 | Low | 67.6 | Low | 123 Ų | 123 | 72.4 Ų | 72.4 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -137.1 | -61 | -166.4 | -160 | 170.7 | -157.5 | 161.3 | 11.2 | 117.2 | H505 V511 D550 | H505-R507 PolarHBondContact O-N 3.08Å; R507-V511 PolarHBondContact O-N 3.35Å; R507-D550 IonicContact CZ-OD1 3.96Å; R507-D550 IonicContact NE-OD1 3.59Å; R507-D550 PolarHBondContact NE-OD1 3.03Å; R507-D550 IonicContact NE-OD2 3.4Å; R507-D550 IonicContact NH2-OD1 3.79Å; R507-D550 PolarHBondContact NH2-OD1 2.98Å |
| 508 | S | 59.6 | Low | 68.2 | Low | 70 Ų | 70 | 73.7 Ų | 73.7 | 49% | 0.49 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -59.6 | -176.7 | 38.6 | 0 | 0 | 0 | 0 | 111 | A510 V511 E512 | S508-A510 PolarHBondContact O-N 2.72Å; S508-A510 VanDerWaalsContact O-N 3.09Å; S508-V511 WeakPolarHBondContact O-CB 3.27Å; S508-V511 PolarHBondContact O-N 2.9Å; S508-E512 PolarHBondContact O-N 2.96Å; S508-E512 VanDerWaalsContact O-N 3.13Å |
| 509 | L | 64.8 | Low | 69.2 | Low | 86 Ų | 86 | 79.9 Ų | 79.9 | 45% | 0.45 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -23 | 179.7 | -81.1 | 69.4 | 0 | 0 | 0 | 112.5 | V504 E512 L513 | V504-L509 HydrophobicContact CG1-CB 3.38Å; L509-E512 PolarHBondContact O-N 2.93Å; L509-L513 VanDerWaalsContact O-CB 3.25Å; L509-L513 WeakPolarHBondContact O-CB 3.44Å; L509-L513 PolarHBondContact O-N 3.3Å |
| 510 | A | 74.6 | Confident | 70.2 | Confident | 12 Ų | 12 | 83.9 Ų | 83.9 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | V504 S508 L514 F553 | V504-A510 HydrophobicContact CB-CB 4.47Å; V504-A510 HydrophobicContact CG1-CB 4.32Å; V504-A510 HydrophobicContact CG2-CB 3.89Å; S508-A510 PolarHBondContact O-N 2.72Å; S508-A510 VanDerWaalsContact O-N 3.09Å; A510-L514 VanDerWaalsContact O-CB 3.29Å; A510-L514 WeakPolarHBondContact O-CB 3.42Å; A510-L514 PolarHBondContact O-N 3.49Å; A510-F553 HydrophobicContact CB-CD2 4.13Å; A510-F553 HydrophobicContact CB-CE2 4.31Å |
| 511 | V | 79.9 | Confident | 71.1 | Confident | 38 Ų | 38 | 83 Ų | 83 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | 172.3 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | R507 S508 L514 D515 A552 F553 | R507-V511 PolarHBondContact O-N 3.35Å; S508-V511 WeakPolarHBondContact O-CB 3.27Å; S508-V511 PolarHBondContact O-N 2.9Å; V511-L514 PolarHBondContact O-N 2.82Å; V511-D515 PolarHBondContact O-N 3.48Å; V511-A552 HydrophobicContact CG2-CB 4.36Å; V511-F553 HydrophobicContact CG2-CB 4.37Å; V511-F553 HydrophobicContact CG2-CD2 4.48Å |
| 512 | E | 79 | Confident | 72.6 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.2 | -48.2 | -179.5 | -68.1 | 164.8 | -152.5 | 0 | 0 | 112.2 | S508 L509 L514 D515 Q516 | S508-E512 PolarHBondContact O-N 2.96Å; S508-E512 VanDerWaalsContact O-N 3.13Å; L509-E512 PolarHBondContact O-N 2.93Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 3.49Å; E512-D515 PolarHBondContact O-N 2.96Å; E512-D515 VanDerWaalsContact O-N 3.13Å; E512-Q516 WeakPolarHBondContact O-CG 3.48Å; E512-Q516 PolarHBondContact O-N 3.01Å |
| 513 | L | 80 | Confident | 73.8 | Confident | 79 Ų | 79 | 88.7 Ų | 88.7 | 41% | 0.414 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.1 | -176.1 | 143.9 | 0 | 0 | 0 | 111.3 | L509 Q516 C517 | L509-L513 VanDerWaalsContact O-CB 3.25Å; L509-L513 WeakPolarHBondContact O-CB 3.44Å; L509-L513 PolarHBondContact O-N 3.3Å; L513-Q516 PolarHBondContact O-N 2.96Å; L513-C517 WeakPolarHBondContact O-CB 3.36Å; L513-C517 PolarHBondContact O-N 3.41Å; L513-C517 PolarHBondContact O-SG 2.75Å; L513-C517 VanDerWaalsContact O-SG 3.37Å |
| 514 | L | 86.2 | Confident | 75.4 | Confident | 5 Ų | 5 | 88.1 Ų | 88.1 | 3% | 0.026 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 173.4 | -176.6 | 63.1 | 0 | 0 | 0 | 112.5 | A510 V511 E512 Y518 L529 F553 H556 C558 | A510-L514 VanDerWaalsContact O-CB 3.29Å; A510-L514 WeakPolarHBondContact O-CB 3.42Å; A510-L514 PolarHBondContact O-N 3.49Å; V511-L514 PolarHBondContact O-N 2.82Å; E512-L514 VanDerWaalsContact C-N 3.31Å; E512-L514 PolarHBondContact O-N 3.49Å; L514-Y518 WeakPolarHBondContact O-CB 3.45Å; L514-Y518 PolarHBondContact O-N 3.08Å; L514-L529 HydrophobicContact CD1-CD1 4.14Å; L514-L529 HydrophobicContact CD1-CD2 3.91Å; L514-L529 HydrophobicContact CD1-CG 3.99Å; L514-L529 HydrophobicContact CD2-CD1 4.39Å; L514-L529 HydrophobicContact CD2-CD2 4.14Å; L514-F553 HydrophobicContact CB-CE2 4.23Å; L514-F553 HydrophobicContact CD2-CD2 4.28Å; L514-F553 HydrophobicContact CD2-CE1 4.19Å; L514-F553 HydrophobicContact CD2-CE2 3.77Å; L514-F553 HydrophobicContact CD2-CZ 3.74Å; L514-H556 HydrophobicContact CD2-CB 4.19Å; L514-H556 WeakPolarHBondContact CD2-ND1 3.26Å; L514-H556 PolarHBondContact O-CE1 3.49Å; L514-C558 HydrophobicContact CD1-CB 4.26Å; L514-C558 HydrophobicContact CD2-CB 4.31Å; L514-C558 HydrophobicContact CG-CB 4.26Å |
| 515 | D | 86.2 | Confident | 77.1 | Confident | 16 Ų | 16 | 87.4 Ų | 87.4 | 9% | 0.086 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 174.3 | -158.9 | 61.1 | 0 | 0 | 0 | 111.5 | V511 E512 Y518 R519 H556 R557 | V511-D515 PolarHBondContact O-N 3.48Å; E512-D515 PolarHBondContact O-N 2.96Å; E512-D515 VanDerWaalsContact O-N 3.13Å; D515-Y518 PolarHBondContact O-N 3.44Å; D515-R519 WeakPolarHBondContact O-CB 3.46Å; D515-R519 WeakPolarHBondContact O-CG 3.36Å; D515-R519 PolarHBondContact O-N 3Å; D515-R519 IonicContact OD2-CZ 3.71Å; D515-R519 IonicContact OD2-NE 2.68Å; D515-R519 PolarHBondContact OD2-NE 2.87Å; D515-R519 IonicContact OD2-NH2 2.77Å; D515-R519 PolarHBondContact OD2-NH2 2.98Å; D515-H556 WeakPolarHBondContact CA-NE2 3.3Å; D515-H556 WeakPolarHBondContact CB-NE2 3.37Å; D515-H556 IonicContact OD1-CD2 2.78Å; D515-H556 IonicContact OD1-CE1 2.62Å; D515-H556 IonicContact OD1-NE2 3.4Å; D515-H556 PolarHBondContact OD1-NE2 3.25Å; D515-H556 IonicContact OD2-NE2 3.55Å; D515-R557 IonicContact OD1-NH2 3.73Å; D515-R557 PolarHBondContact OD1-NH2 3.42Å; D515-R557 IonicContact OD2-NH2 2.68Å |
| 516 | Q | 86.2 | Confident | 78.8 | Confident | 134 Ų | 134 | 84 Ų | 84 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.1 | -51.2 | 171.5 | -70.7 | -176.7 | 21.6 | 0 | 0 | 111.7 | E512 L513 Y518 R519 R520 | E512-Q516 WeakPolarHBondContact O-CG 3.48Å; E512-Q516 PolarHBondContact O-N 3.01Å; L513-Q516 PolarHBondContact O-N 2.96Å; Q516-Y518 VanDerWaalsContact C-N 3.34Å; Q516-Y518 PolarHBondContact O-N 2.86Å; Q516-R519 WeakPolarHBondContact O-CB 2.64Å; Q516-R519 PolarHBondContact O-N 2.79Å; Q516-R520 PolarHBondContact O-N 3.31Å |
| 517 | C | 85.6 | Confident | 79.9 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.9 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | L513 R519 R520 D521 A525 | L513-C517 WeakPolarHBondContact O-CB 3.36Å; L513-C517 PolarHBondContact O-N 3.41Å; L513-C517 PolarHBondContact O-SG 2.75Å; L513-C517 VanDerWaalsContact O-SG 3.37Å; C517-R519 PolarHBondContact O-N 3.5Å; C517-R520 PolarHBondContact O-N 3.43Å; C517-D521 PolarHBondContact O-N 3.18Å; C517-A525 HydrophobicContact CB-CB 4.13Å |
| 518 | Y | 88.3 | Confident | 81.2 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 11% | 0.114 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.5 | -24.9 | 178.4 | -176.3 | -106.5 | 0 | 0 | 0 | 113.9 | L514 D515 Q516 R522 H556 R557 C558 | L514-Y518 WeakPolarHBondContact O-CB 3.45Å; L514-Y518 PolarHBondContact O-N 3.08Å; D515-Y518 PolarHBondContact O-N 3.44Å; Q516-Y518 VanDerWaalsContact C-N 3.34Å; Q516-Y518 PolarHBondContact O-N 2.86Å; Y518-R522 HydrophobicContact CD2-CB 4.09Å; Y518-R522 HydrophobicContact CD2-CG 3.9Å; Y518-R522 HydrophobicContact CE2-CB 3.81Å; Y518-R522 HydrophobicContact CE2-CG 3.64Å; Y518-R522 HydrophobicContact CG-CG 4.44Å; Y518-R522 VanDerWaalsContact O-CG 3.24Å; Y518-R522 WeakPolarHBondContact O-CG 3.42Å; Y518-H556 WeakPolarHBondContact CB-CE1 3.35Å; Y518-H556 AromaticContact CD1-CE1 3.46Å; Y518-H556 VanDerWaalsContact CD1-CE1 3.46Å; Y518-H556 WeakPolarHBondContact CD1-CE1 3.29Å; Y518-H556 AromaticContact CG-CE1 3.34Å; Y518-R557 HydrophobicContact CE1-CB 4.24Å; Y518-C558 HydrophobicContact CD2-CB 3.59Å; Y518-C558 VanDerWaalsContact CD2-SG 3.53Å; Y518-C558 HydrophobicContact CE2-CB 4.09Å; Y518-C558 HydrophobicContact CG-CB 3.87Å |
| 519 | R | 88.6 | Confident | 82.1 | Confident | 191 Ų | 191 | 76.6 Ų | 76.6 | 72% | 0.721 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -70.6 | -38.8 | 167.8 | -75 | 167.8 | -166.6 | -152.9 | 11.6 | 111.2 | D515 Q516 C517 | D515-R519 WeakPolarHBondContact O-CB 3.46Å; D515-R519 WeakPolarHBondContact O-CG 3.36Å; D515-R519 PolarHBondContact O-N 3Å; D515-R519 IonicContact OD2-CZ 3.71Å; D515-R519 IonicContact OD2-NE 2.68Å; D515-R519 PolarHBondContact OD2-NE 2.87Å; D515-R519 IonicContact OD2-NH2 2.77Å; D515-R519 PolarHBondContact OD2-NH2 2.98Å; Q516-R519 WeakPolarHBondContact O-CB 2.64Å; Q516-R519 PolarHBondContact O-N 2.79Å; C517-R519 PolarHBondContact O-N 3.5Å |
| 520 | R | 88.9 | Confident | 82.5 | Confident | 235 Ų | 235 | 73.6 Ų | 73.6 | 89% | 0.887 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -75.7 | -54.5 | -178.3 | -170.3 | 173.3 | -176.7 | 159.2 | 1.3 | 113.2 | Q516 C517 | Q516-R520 PolarHBondContact O-N 3.31Å; C517-R520 PolarHBondContact O-N 3.43Å |
| 521 | D | 86.6 | Confident | 82.4 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | trans | -146.5 | 117.1 | 173.4 | -174.2 | -22.7 | 0 | 0 | 0 | 111.3 | C517 Q523 L524 A525 | C517-D521 PolarHBondContact O-N 3.18Å; D521-Q523 WeakPolarHBondContact OD1-CA 3.47Å; D521-Q523 PolarHBondContact OD1-N 3.16Å; D521-L524 HydrophobicContact CB-CB 3.96Å; D521-L524 PolarHBondContact OD1-N 3.35Å; D521-L524 VanDerWaalsContact OD1-N 3.13Å; D521-A525 WeakPolarHBondContact O-CB 3.33Å; D521-A525 PolarHBondContact O-N 3.4Å | ||
| 522 | R | 83.4 | Confident | 82 | Confident | 151 Ų | 151 | 78 Ų | 78 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -24.9 | -178.8 | -62.3 | 179.4 | -176.3 | 158.4 | 2 | 114.2 | Y518 V526 | Y518-R522 HydrophobicContact CD2-CB 4.09Å; Y518-R522 HydrophobicContact CD2-CG 3.9Å; Y518-R522 HydrophobicContact CE2-CB 3.81Å; Y518-R522 HydrophobicContact CE2-CG 3.64Å; Y518-R522 HydrophobicContact CG-CG 4.44Å; Y518-R522 VanDerWaalsContact O-CG 3.24Å; Y518-R522 WeakPolarHBondContact O-CG 3.42Å; R522-V526 WeakPolarHBondContact O-CG2 3.5Å |
| 523 | Q | 79.3 | Confident | 81.7 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -47.5 | 177.3 | -63.3 | -168.1 | 10.1 | 0 | 0 | 110 | D521 A525 V526 Q527 | D521-Q523 WeakPolarHBondContact OD1-CA 3.47Å; D521-Q523 PolarHBondContact OD1-N 3.16Å; Q523-A525 PolarHBondContact O-N 2.81Å; Q523-V526 PolarHBondContact O-N 3.47Å; Q523-V526 VanDerWaalsContact O-N 3.15Å; Q523-Q527 WeakPolarHBondContact O-CG 3.43Å; Q523-Q527 PolarHBondContact O-N 3.03Å |
| 524 | L | 81.4 | Confident | 81.1 | Confident | 102 Ų | 102 | 77 Ų | 77 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 179.2 | -165.5 | 148.4 | 0 | 0 | 0 | 111.7 | D521 V526 Q527 L528 | D521-L524 HydrophobicContact CB-CB 3.96Å; D521-L524 PolarHBondContact OD1-N 3.35Å; D521-L524 VanDerWaalsContact OD1-N 3.13Å; L524-V526 VanDerWaalsContact C-N 3.29Å; L524-V526 PolarHBondContact O-N 2.73Å; L524-Q527 PolarHBondContact O-N 3.13Å; L524-L528 WeakPolarHBondContact O-CB 3.43Å; L524-L528 PolarHBondContact O-N 2.75Å |
| 525 | A | 85.5 | Confident | 80.1 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.5 | -32 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C517 D521 Q523 L529 | C517-A525 HydrophobicContact CB-CB 4.13Å; D521-A525 WeakPolarHBondContact O-CB 3.33Å; D521-A525 PolarHBondContact O-N 3.4Å; Q523-A525 PolarHBondContact O-N 2.81Å; A525-L529 WeakPolarHBondContact O-CG 3.29Å; A525-L529 PolarHBondContact O-N 3.29Å |
| 526 | V | 80.2 | Confident | 79.5 | Confident | 20 Ų | 20 | 82.5 Ų | 82.5 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.3 | -36.1 | 175 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | R522 Q523 L524 L529 T530 L562 | R522-V526 WeakPolarHBondContact O-CG2 3.5Å; Q523-V526 PolarHBondContact O-N 3.47Å; Q523-V526 VanDerWaalsContact O-N 3.15Å; L524-V526 VanDerWaalsContact C-N 3.29Å; L524-V526 PolarHBondContact O-N 2.73Å; V526-L529 PolarHBondContact O-N 2.91Å; V526-T530 PolarHBondContact O-OG1 3.43Å; V526-L562 HydrophobicContact CG1-CB 4.38Å; V526-L562 HydrophobicContact CG1-CD1 3.98Å |
| 527 | Q | 79.1 | Confident | 78.7 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 173.2 | -70.7 | 174 | -13.7 | 0 | 0 | 111.4 | Q523 L524 L529 T530 Q531 K604 | Q523-Q527 WeakPolarHBondContact O-CG 3.43Å; Q523-Q527 PolarHBondContact O-N 3.03Å; L524-Q527 PolarHBondContact O-N 3.13Å; Q527-L529 VanDerWaalsContact C-N 3.32Å; Q527-L529 PolarHBondContact O-N 3.19Å; Q527-T530 WeakPolarHBondContact CA-OG1 3.17Å; Q527-T530 PolarHBondContact O-N 3.4Å; Q527-T530 PolarHBondContact O-OG1 2.9Å; Q527-Q531 PolarHBondContact O-N 2.97Å; Q527-K604 PolarHBondContact NE2-O 3.48Å |
| 528 | L | 81.4 | Confident | 77.9 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 175.1 | -175.4 | 151.1 | 0 | 0 | 0 | 112.9 | L524 T530 C541 | L524-L528 WeakPolarHBondContact O-CB 3.43Å; L524-L528 PolarHBondContact O-N 2.75Å; L528-T530 PolarHBondContact O-N 2.94Å; L528-C541 PolarHBondContact O-SG 3.11Å |
| 529 | L | 79.3 | Confident | 77 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18 | 175.1 | -77.8 | 179.9 | 0 | 0 | 0 | 114.4 | L514 A525 V526 Q527 C541 L542 F553 C558 L562 | L514-L529 HydrophobicContact CD1-CD1 4.14Å; L514-L529 HydrophobicContact CD1-CD2 3.91Å; L514-L529 HydrophobicContact CD1-CG 3.99Å; L514-L529 HydrophobicContact CD2-CD1 4.39Å; L514-L529 HydrophobicContact CD2-CD2 4.14Å; A525-L529 WeakPolarHBondContact O-CG 3.29Å; A525-L529 PolarHBondContact O-N 3.29Å; V526-L529 PolarHBondContact O-N 2.91Å; Q527-L529 VanDerWaalsContact C-N 3.32Å; Q527-L529 PolarHBondContact O-N 3.19Å; L529-C541 HydrophobicContact CD2-CB 4.44Å; L529-L542 WeakPolarHBondContact O-CB 3.2Å; L529-L542 PolarHBondContact O-N 3.22Å; L529-L542 VanDerWaalsContact O-N 3.11Å; L529-F553 HydrophobicContact CD2-CE1 3.68Å; L529-F553 HydrophobicContact CD2-CZ 3.58Å; L529-C558 HydrophobicContact CD1-CB 4.16Å; L529-C558 VanDerWaalsContact CD1-SG 3.54Å; L529-L562 HydrophobicContact CB-CD2 4.01Å; L529-L562 HydrophobicContact CD1-CD2 4.21Å |
| 530 | T | 73.8 | Confident | 76.3 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -16.3 | -166 | 44.8 | 0 | 0 | 0 | 0 | 114.7 | V526 Q527 L528 L562 P606 | V526-T530 PolarHBondContact O-OG1 3.43Å; Q527-T530 WeakPolarHBondContact CA-OG1 3.17Å; Q527-T530 PolarHBondContact O-N 3.4Å; Q527-T530 PolarHBondContact O-OG1 2.9Å; L528-T530 PolarHBondContact O-N 2.94Å; T530-L562 HydrophobicContact CG2-CD1 3.88Å; T530-L562 HydrophobicContact CG2-CD2 3.46Å; T530-L562 VanDerWaalsContact CG2-CD2 3.46Å; T530-L562 HydrophobicContact CG2-CG 4.3Å; T530-P606 HydrophobicContact CG2-CB 4.33Å; T530-P606 HydrophobicContact CG2-CG 3.87Å; T530-P606 WeakPolarHBondContact OG1-CB 3.49Å; T530-P606 WeakPolarHBondContact OG1-CG 3.31Å |
| 531 | Q | 72 | Confident | 75.9 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -52.2 | 135.9 | 169.8 | -178.1 | 173.1 | -6.6 | 0 | 0 | 111.1 | Q527 S540 | Q527-Q531 PolarHBondContact O-N 2.97Å; Q531-S540 WeakPolarHBondContact O-CA 3.34Å; Q531-S540 WeakPolarHBondContact O-CB 3.35Å |
| 532 | S | 70.1 | Confident | 75.6 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 125 | 172 | 46.4 | 0 | 0 | 0 | 0 | 110.6 | D534 G538 N611 | S532-D534 PolarHBondContact O-N 2.93Å; S532-G538 VanDerWaalsContact CB-O 3.3Å; S532-G538 WeakPolarHBondContact CB-O 2.99Å; S532-N611 PolarHBondContact OG-ND2 3.39Å; S532-N611 VanDerWaalsContact OG-ND2 3.17Å |
| 533 | L | 73.2 | Confident | 75.2 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | trans | -89.9 | 99.3 | 175.9 | -60.2 | 174.3 | 0 | 0 | 0 | 109.4 | R535 W536 G538 H539 L544 | L533-R535 PolarHBondContact O-N 3.02Å; L533-W536 HydrophobicContact CB-CB 3.96Å; L533-W536 HydrophobicContact CB-CG 4.36Å; L533-W536 HydrophobicContact CD1-CB 4.47Å; L533-W536 HydrophobicContact CD1-CG 4.37Å; L533-W536 CarbonylContact O-C 3.53Å; L533-W536 WeakPolarHBondContact O-CA 3.11Å; L533-W536 PolarHBondContact O-N 2.96Å; L533-G538 WeakPolarHBondContact O-CA 3.29Å; L533-G538 PolarHBondContact O-N 3.41Å; L533-H539 WeakPolarHBondContact CB-O 3.43Å; L533-H539 PolarHBondContact N-O 2.95Å; L533-L544 HydrophobicContact CD1-CD1 3.9Å | ||
| 534 | D | 67.3 | Low | 75.1 | Confident | 139 Ų | 139 | 45.4 Ų | 45.4 | 74% | 0.743 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -54.7 | -40.4 | -175.1 | -59.2 | -41 | 0 | 0 | 0 | 112.6 | S532 W536 S537 | S532-D534 PolarHBondContact O-N 2.93Å; D534-W536 VanDerWaalsContact C-N 3.26Å; D534-W536 PolarHBondContact O-N 3.41Å; D534-S537 PolarHBondContact O-N 2.89Å |
| 535 | R | 66.1 | Low | 75 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -67.8 | -20 | 177 | -68.1 | -176.1 | 166.2 | -117.1 | -12.8 | 114.4 | E475 Q476 S479 E480 L533 | E475-R535 IonicContact OE2-NH2 2.87Å; E475-R535 PolarHBondContact OE2-NH2 3.29Å; Q476-R535 VanDerWaalsContact OE1-CZ 3.25Å; S479-R535 PolarHBondContact OG-NH1 3.39Å; E480-R535 IonicContact OE1-NH1 3.74Å; L533-R535 PolarHBondContact O-N 3.02Å |
| 536 | W | 72.3 | Confident | 74.5 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -106.7 | 38.9 | 175.7 | -64.2 | 86 | 0 | 0 | 0 | 111.4 | M428 F432 L533 D534 G538 H539 L544 | M428-W536 HydrophobicContact CE-CE3 3.83Å; M428-W536 HydrophobicContact CE-CZ3 3.78Å; M428-W536 HydrophobicContact SD-CZ3 4.41Å; F432-W536 HydrophobicContact CE2-CB 4.01Å; F432-W536 HydrophobicContact CE2-CD2 4.4Å; F432-W536 AromaticContact CE2-CE3 3.68Å; F432-W536 HydrophobicContact CE2-CE3 3.68Å; F432-W536 AromaticContact CZ-CE3 3.79Å; F432-W536 HydrophobicContact CZ-CE3 3.79Å; F432-W536 HydrophobicContact CZ-CZ3 4.38Å; L533-W536 HydrophobicContact CB-CB 3.96Å; L533-W536 HydrophobicContact CB-CG 4.36Å; L533-W536 HydrophobicContact CD1-CB 4.47Å; L533-W536 HydrophobicContact CD1-CG 4.37Å; L533-W536 CarbonylContact O-C 3.53Å; L533-W536 WeakPolarHBondContact O-CA 3.11Å; L533-W536 PolarHBondContact O-N 2.96Å; D534-W536 VanDerWaalsContact C-N 3.26Å; D534-W536 PolarHBondContact O-N 3.41Å; W536-G538 PolarHBondContact O-N 3.27Å; W536-H539 PolarHBondContact O-CD2 2.67Å; W536-H539 VanDerWaalsContact O-CD2 3.3Å; W536-H539 PolarHBondContact O-N 3.21Å; W536-L544 HydrophobicContact CB-CD1 4.16Å; W536-L544 HydrophobicContact CD2-CD1 4.35Å; W536-L544 HydrophobicContact CE3-CD1 4.45Å; W536-L544 HydrophobicContact CG-CD1 4.23Å |
| 537 | S | 69.6 | Low | 74.1 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 30% | 0.301 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 25.9 | -178 | 56.9 | 0 | 0 | 0 | 0 | 115.6 | F432 R433 D534 H539 | F432-S537 WeakPolarHBondContact CD2-OG 3.28Å; R433-S537 PolarHBondContact N-OG 3.47Å; R433-S537 VanDerWaalsContact N-OG 3.16Å; R433-S537 WeakPolarHBondContact O-CB 3.4Å; D534-S537 PolarHBondContact O-N 2.89Å; S537-H539 VanDerWaalsContact C-N 3.33Å; S537-H539 PolarHBondContact OG-CD2 3.15Å; S537-H539 VanDerWaalsContact OG-CD2 3.29Å |
| 538 | G | 68.5 | Low | 73.9 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 5.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S532 L533 W536 | S532-G538 VanDerWaalsContact CB-O 3.3Å; S532-G538 WeakPolarHBondContact CB-O 2.99Å; L533-G538 WeakPolarHBondContact O-CA 3.29Å; L533-G538 PolarHBondContact O-N 3.41Å; W536-G538 PolarHBondContact O-N 3.27Å |
| 539 | H | 69.5 | Low | 73.5 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | trans | -65 | 148.8 | 172.2 | -70.6 | -60.6 | 0 | 0 | 0 | 111 | N431 L533 W536 S537 A543 L544 | N431-H539 PolarHBondContact O-NE2 3.28Å; L533-H539 WeakPolarHBondContact CB-O 3.43Å; L533-H539 PolarHBondContact N-O 2.95Å; W536-H539 PolarHBondContact O-CD2 2.67Å; W536-H539 VanDerWaalsContact O-CD2 3.3Å; W536-H539 PolarHBondContact O-N 3.21Å; S537-H539 VanDerWaalsContact C-N 3.33Å; S537-H539 PolarHBondContact OG-CD2 3.15Å; S537-H539 VanDerWaalsContact OG-CD2 3.29Å; H539-A543 HydrophobicContact CB-CB 4.45Å; H539-L544 HydrophobicContact CB-CD2 3.92Å; H539-L544 HydrophobicContact CB-CG 4.02Å | ||
| 540 | S | 75.6 | Confident | 73.3 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -87.5 | 158.8 | 170.5 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | Q531 L542 A543 L544 | Q531-S540 WeakPolarHBondContact O-CA 3.34Å; Q531-S540 WeakPolarHBondContact O-CB 3.35Å; S540-L542 PolarHBondContact O-N 3.1Å; S540-A543 WeakPolarHBondContact O-CB 3.07Å; S540-A543 PolarHBondContact O-N 3.13Å; S540-A543 PolarHBondContact OG-N 3.45Å; S540-L544 PolarHBondContact O-N 1.88Å |
| 541 | C | 78.8 | Confident | 73.2 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.3 | -41.8 | 175.7 | -55.8 | 0 | 0 | 0 | 0 | 112 | L528 L529 L544 A545 | L528-C541 PolarHBondContact O-SG 3.11Å; L529-C541 HydrophobicContact CD2-CB 4.44Å; C541-L544 PolarHBondContact O-N 3Å; C541-A545 WeakPolarHBondContact O-CB 3.42Å; C541-A545 PolarHBondContact O-N 3.03Å |
| 542 | L | 80.5 | Confident | 73.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.5 | -177.5 | 65.2 | 0 | 0 | 0 | 112.7 | L529 S540 A545 V546 L554 L562 L563 Y946 | L529-L542 WeakPolarHBondContact O-CB 3.2Å; L529-L542 PolarHBondContact O-N 3.22Å; L529-L542 VanDerWaalsContact O-N 3.11Å; S540-L542 PolarHBondContact O-N 3.1Å; L542-A545 PolarHBondContact O-N 3.23Å; L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.13Å; L542-V546 PolarHBondContact O-N 3.4Å; L542-V546 VanDerWaalsContact O-N 3.09Å; L542-L554 HydrophobicContact CD1-CD2 3.64Å; L542-L562 HydrophobicContact CD2-CD2 3.77Å; L542-L562 HydrophobicContact CD2-CG 4.35Å; L542-L563 HydrophobicContact CD2-CD2 4.46Å; L542-Y946 HydrophobicContact CD2-CD2 4.2Å; L542-Y946 HydrophobicContact CD2-CE2 3.79Å; L542-Y946 HydrophobicContact CG-CD2 4.26Å; L542-Y946 HydrophobicContact CG-CE2 3.86Å |
| 543 | A | 75.7 | Confident | 73.9 | Confident | 21 Ų | 21 | 45.4 Ų | 45.4 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H539 S540 R547 | H539-A543 HydrophobicContact CB-CB 4.45Å; S540-A543 WeakPolarHBondContact O-CB 3.07Å; S540-A543 PolarHBondContact O-N 3.13Å; S540-A543 PolarHBondContact OG-N 3.45Å; A543-R547 WeakPolarHBondContact O-CB 3.21Å; A543-R547 PolarHBondContact O-N 2.88Å |
| 544 | L | 77 | Confident | 74.1 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 174.3 | -65.6 | 176.1 | 0 | 0 | 0 | 111.8 | M428 L533 W536 H539 S540 C541 V546 R547 A548 | M428-L544 HydrophobicContact CE-CD2 4.06Å; L533-L544 HydrophobicContact CD1-CD1 3.9Å; W536-L544 HydrophobicContact CB-CD1 4.16Å; W536-L544 HydrophobicContact CD2-CD1 4.35Å; W536-L544 HydrophobicContact CE3-CD1 4.45Å; W536-L544 HydrophobicContact CG-CD1 4.23Å; H539-L544 HydrophobicContact CB-CD2 3.92Å; H539-L544 HydrophobicContact CB-CG 4.02Å; S540-L544 PolarHBondContact O-N 1.88Å; C541-L544 PolarHBondContact O-N 3Å; L544-V546 VanDerWaalsContact C-N 3.35Å; L544-V546 PolarHBondContact O-N 2.73Å; L544-R547 WeakPolarHBondContact O-CB 3.46Å; L544-R547 PolarHBondContact O-N 3.15Å; L544-R547 VanDerWaalsContact O-N 3.09Å; L544-A548 PolarHBondContact O-N 3.28Å |
| 545 | A | 78.7 | Confident | 74.6 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C541 L542 G549 D550 F553 | C541-A545 WeakPolarHBondContact O-CB 3.42Å; C541-A545 PolarHBondContact O-N 3.03Å; L542-A545 PolarHBondContact O-N 3.23Å; A545-G549 PolarHBondContact O-N 3.09Å; A545-D550 PolarHBondContact O-N 3.42Å; A545-F553 HydrophobicContact CB-CD1 3.41Å; A545-F553 VanDerWaalsContact CB-CD1 3.41Å; A545-F553 HydrophobicContact CB-CE1 3.79Å; A545-F553 HydrophobicContact CB-CG 4.21Å |
| 546 | V | 75 | Confident | 75.6 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 170.8 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L542 L544 A548 G549 L554 Y946 | L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.13Å; L542-V546 PolarHBondContact O-N 3.4Å; L542-V546 VanDerWaalsContact O-N 3.09Å; L544-V546 VanDerWaalsContact C-N 3.35Å; L544-V546 PolarHBondContact O-N 2.73Å; V546-A548 PolarHBondContact O-N 3.44Å; V546-G549 WeakPolarHBondContact O-CA 3.47Å; V546-G549 PolarHBondContact O-N 2.7Å; V546-L554 HydrophobicContact CG2-CD1 3.93Å; V546-L554 HydrophobicContact CG2-CD2 3.71Å; V546-L554 HydrophobicContact CG2-CG 4.45Å; V546-Y946 HydrophobicContact CB-CD1 4.15Å; V546-Y946 HydrophobicContact CB-CE1 4.21Å; V546-Y946 HydrophobicContact CB-CG 4.48Å; V546-Y946 HydrophobicContact CG1-CD1 3.63Å; V546-Y946 HydrophobicContact CG1-CE1 3.91Å; V546-Y946 HydrophobicContact CG1-CG 4.27Å; V546-Y946 HydrophobicContact CG2-CD1 3.59Å; V546-Y946 HydrophobicContact CG2-CD2 3.62Å; V546-Y946 HydrophobicContact CG2-CE1 3.86Å; V546-Y946 HydrophobicContact CG2-CE2 3.92Å; V546-Y946 HydrophobicContact CG2-CG 3.46Å; V546-Y946 VanDerWaalsContact CG2-CG 3.46Å |
| 547 | R | 72.5 | Confident | 76.1 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | -178.2 | -168.8 | 174.8 | -172.5 | 87.7 | 18.2 | 112.9 | M428 T430 A543 L544 G549 | M428-R547 PolarHBondContact O-NE 2.9Å; M428-R547 PolarHBondContact O-NH2 2.8Å; T430-R547 PolarHBondContact O-NH1 2.73Å; T430-R547 PolarHBondContact O-NH2 3Å; A543-R547 WeakPolarHBondContact O-CB 3.21Å; A543-R547 PolarHBondContact O-N 2.88Å; L544-R547 WeakPolarHBondContact O-CB 3.46Å; L544-R547 PolarHBondContact O-N 3.15Å; L544-R547 VanDerWaalsContact O-N 3.09Å; R547-G549 PolarHBondContact O-N 3.22Å |
| 548 | A | 74.5 | Confident | 76.9 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 69% | 0.694 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L544 V546 D550 | L544-A548 PolarHBondContact O-N 3.28Å; V546-A548 PolarHBondContact O-N 3.44Å; A548-D550 VanDerWaalsContact C-N 3.3Å; A548-D550 PolarHBondContact O-N 2.92Å |
| 549 | G | 72.8 | Confident | 77.6 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 38% | 0.381 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 26.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A545 V546 R547 K551 | A545-G549 PolarHBondContact O-N 3.09Å; V546-G549 WeakPolarHBondContact O-CA 3.47Å; V546-G549 PolarHBondContact O-N 2.7Å; R547-G549 PolarHBondContact O-N 3.22Å; G549-K551 PolarHBondContact O-N 2.89Å |
| 550 | D | 74.7 | Confident | 78.2 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | trans | -78.4 | 86.4 | -172.3 | -166.8 | 1.8 | 0 | 0 | 0 | 113.8 | R507 A545 A548 A552 F553 L554 | R507-D550 IonicContact CZ-OD1 3.96Å; R507-D550 IonicContact NE-OD1 3.59Å; R507-D550 PolarHBondContact NE-OD1 3.03Å; R507-D550 IonicContact NE-OD2 3.4Å; R507-D550 IonicContact NH2-OD1 3.79Å; R507-D550 PolarHBondContact NH2-OD1 2.98Å; A545-D550 PolarHBondContact O-N 3.42Å; A548-D550 VanDerWaalsContact C-N 3.3Å; A548-D550 PolarHBondContact O-N 2.92Å; D550-A552 PolarHBondContact O-N 2.67Å; D550-A552 WeakPolarHBondContact OD1-CB 3.4Å; D550-A552 PolarHBondContact OD1-N 3.03Å; D550-F553 HydrophobicContact CB-CB 4.08Å; D550-F553 PolarHBondContact O-N 2.83Å; D550-F553 PolarHBondContact OD1-N 3.11Å; D550-F553 VanDerWaalsContact OD2-CB 3.27Å; D550-F553 WeakPolarHBondContact OD2-CB 3.2Å; D550-L554 WeakPolarHBondContact O-CB 3.48Å; D550-L554 WeakPolarHBondContact O-CG 3.34Å; D550-L554 PolarHBondContact O-N 3.35Å | ||
| 551 | K | 73.6 | Confident | 78.6 | Confident | 94 Ų | 94 | 46.3 Ų | 46.3 | 41% | 0.409 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.8 | -26.6 | 173.4 | -59.2 | 127.6 | 149.5 | -155.8 | 0 | 114.9 | G549 S555 W941 | G549-K551 PolarHBondContact O-N 2.89Å; K551-S555 WeakPolarHBondContact O-CB 3.17Å; K551-S555 PolarHBondContact O-N 3.24Å; K551-S555 VanDerWaalsContact O-N 3.17Å; K551-S555 PolarHBondContact O-OG 2.77Å; K551-W941 HydrophobicContact CB-CH2 4.34Å; K551-W941 HydrophobicContact CB-CZ3 3.75Å; K551-W941 HydrophobicContact CD-CE3 4.31Å; K551-W941 HydrophobicContact CD-CH2 3.6Å; K551-W941 HydrophobicContact CD-CZ3 3.32Å; K551-W941 HydrophobicContact CG-CE3 4.42Å; K551-W941 HydrophobicContact CG-CH2 4.27Å; K551-W941 HydrophobicContact CG-CZ3 3.55Å; K551-W941 VanDerWaalsContact NZ-CH2 3.32Å |
| 552 | A | 74.1 | Confident | 78.7 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81.7 | -46.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | V511 D550 L554 S555 | V511-A552 HydrophobicContact CG2-CB 4.36Å; D550-A552 PolarHBondContact O-N 2.67Å; D550-A552 WeakPolarHBondContact OD1-CB 3.4Å; D550-A552 PolarHBondContact OD1-N 3.03Å; A552-L554 VanDerWaalsContact C-N 3.34Å; A552-L554 PolarHBondContact O-N 2.97Å; A552-S555 PolarHBondContact O-N 3.37Å; A552-S555 PolarHBondContact O-OG 3.05Å |
| 553 | F | 82.7 | Confident | 78.6 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 171.6 | -168 | -90.4 | 0 | 0 | 0 | 112.3 | A510 V511 L514 L529 A545 D550 H556 C559 | A510-F553 HydrophobicContact CB-CD2 4.13Å; A510-F553 HydrophobicContact CB-CE2 4.31Å; V511-F553 HydrophobicContact CG2-CB 4.37Å; V511-F553 HydrophobicContact CG2-CD2 4.48Å; L514-F553 HydrophobicContact CB-CE2 4.23Å; L514-F553 HydrophobicContact CD2-CD2 4.28Å; L514-F553 HydrophobicContact CD2-CE1 4.19Å; L514-F553 HydrophobicContact CD2-CE2 3.77Å; L514-F553 HydrophobicContact CD2-CZ 3.74Å; L529-F553 HydrophobicContact CD2-CE1 3.68Å; L529-F553 HydrophobicContact CD2-CZ 3.58Å; A545-F553 HydrophobicContact CB-CD1 3.41Å; A545-F553 VanDerWaalsContact CB-CD1 3.41Å; A545-F553 HydrophobicContact CB-CE1 3.79Å; A545-F553 HydrophobicContact CB-CG 4.21Å; D550-F553 HydrophobicContact CB-CB 4.08Å; D550-F553 PolarHBondContact O-N 2.83Å; D550-F553 PolarHBondContact OD1-N 3.11Å; D550-F553 VanDerWaalsContact OD2-CB 3.27Å; D550-F553 WeakPolarHBondContact OD2-CB 3.2Å; F553-H556 VanDerWaalsContact O-CB 3.29Å; F553-H556 WeakPolarHBondContact O-CB 3.35Å; F553-H556 PolarHBondContact O-N 3.43Å; F553-C559 PolarHBondContact O-SG 3.16Å |
| 554 | L | 77.2 | Confident | 78.8 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.4 | -24 | 178.7 | -67.4 | 174.3 | 0 | 0 | 0 | 114.5 | L542 V546 D550 A552 H556 Q560 | L542-L554 HydrophobicContact CD1-CD2 3.64Å; V546-L554 HydrophobicContact CG2-CD1 3.93Å; V546-L554 HydrophobicContact CG2-CD2 3.71Å; V546-L554 HydrophobicContact CG2-CG 4.45Å; D550-L554 WeakPolarHBondContact O-CB 3.48Å; D550-L554 WeakPolarHBondContact O-CG 3.34Å; D550-L554 PolarHBondContact O-N 3.35Å; A552-L554 VanDerWaalsContact C-N 3.34Å; A552-L554 PolarHBondContact O-N 2.97Å; L554-H556 VanDerWaalsContact C-N 3.26Å; L554-Q560 PolarHBondContact O-NE2 2.9Å |
| 555 | S | 78 | Confident | 78.9 | Confident | 78 Ų | 78 | 46 Ų | 46 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -77.4 | -13.6 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | K551 A552 | K551-S555 WeakPolarHBondContact O-CB 3.17Å; K551-S555 PolarHBondContact O-N 3.24Å; K551-S555 VanDerWaalsContact O-N 3.17Å; K551-S555 PolarHBondContact O-OG 2.77Å; A552-S555 PolarHBondContact O-N 3.37Å; A552-S555 PolarHBondContact O-OG 3.05Å |
| 556 | H | 85.3 | Confident | 78.9 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.069 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -59.4 | 145.5 | -179.6 | -173.6 | -100.9 | 0 | 0 | 0 | 113 | L514 D515 Y518 F553 L554 C558 C559 Q560 | L514-H556 HydrophobicContact CD2-CB 4.19Å; L514-H556 WeakPolarHBondContact CD2-ND1 3.26Å; L514-H556 PolarHBondContact O-CE1 3.49Å; D515-H556 WeakPolarHBondContact CA-NE2 3.3Å; D515-H556 WeakPolarHBondContact CB-NE2 3.37Å; D515-H556 IonicContact OD1-CD2 2.78Å; D515-H556 IonicContact OD1-CE1 2.62Å; D515-H556 IonicContact OD1-NE2 3.4Å; D515-H556 PolarHBondContact OD1-NE2 3.25Å; D515-H556 IonicContact OD2-NE2 3.55Å; Y518-H556 WeakPolarHBondContact CB-CE1 3.35Å; Y518-H556 AromaticContact CD1-CE1 3.46Å; Y518-H556 VanDerWaalsContact CD1-CE1 3.46Å; Y518-H556 WeakPolarHBondContact CD1-CE1 3.29Å; Y518-H556 AromaticContact CG-CE1 3.34Å; F553-H556 VanDerWaalsContact O-CB 3.29Å; F553-H556 WeakPolarHBondContact O-CB 3.35Å; F553-H556 PolarHBondContact O-N 3.43Å; L554-H556 VanDerWaalsContact C-N 3.26Å; H556-C558 VanDerWaalsContact C-N 3.27Å; H556-C558 WeakPolarHBondContact CE1-CB 3.29Å; H556-C558 VanDerWaalsContact ND1-CB 3.33Å; H556-C558 WeakPolarHBondContact ND1-CB 3.23Å; H556-C558 PolarHBondContact ND1-N 3.13Å; H556-C558 VanDerWaalsContact ND1-N 3.1Å; H556-C558 PolarHBondContact O-N 2.98Å; H556-C559 WeakPolarHBondContact O-CB 3.38Å; H556-C559 PolarHBondContact O-N 2.95Å; H556-C559 VanDerWaalsContact O-N 3.16Å; H556-Q560 WeakPolarHBondContact O-CG 3.23Å; H556-Q560 PolarHBondContact O-N 3.21Å |
| 557 | R | 84.4 | Confident | 79.2 | Confident | 160 Ų | 160 | 46.7 Ų | 46.7 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.2 | -31.3 | -172.8 | -67.2 | 178.9 | -69.3 | -157.7 | -2.4 | 113.2 | D515 Y518 R561 | D515-R557 IonicContact OD1-NH2 3.73Å; D515-R557 PolarHBondContact OD1-NH2 3.42Å; D515-R557 IonicContact OD2-NH2 2.68Å; Y518-R557 HydrophobicContact CE1-CB 4.24Å; R557-R561 WeakPolarHBondContact O-CB 3.37Å; R557-R561 PolarHBondContact O-N 3.01Å; R557-R561 VanDerWaalsContact O-N 3.07Å |
| 558 | C | 86.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -51.1 | 175.4 | -167.7 | 0 | 0 | 0 | 0 | 111 | L514 Y518 L529 H556 Q560 R561 L562 | L514-C558 HydrophobicContact CD1-CB 4.26Å; L514-C558 HydrophobicContact CD2-CB 4.31Å; L514-C558 HydrophobicContact CG-CB 4.26Å; Y518-C558 HydrophobicContact CD2-CB 3.59Å; Y518-C558 VanDerWaalsContact CD2-SG 3.53Å; Y518-C558 HydrophobicContact CE2-CB 4.09Å; Y518-C558 HydrophobicContact CG-CB 3.87Å; L529-C558 HydrophobicContact CD1-CB 4.16Å; L529-C558 VanDerWaalsContact CD1-SG 3.54Å; H556-C558 VanDerWaalsContact C-N 3.27Å; H556-C558 WeakPolarHBondContact CE1-CB 3.29Å; H556-C558 VanDerWaalsContact ND1-CB 3.33Å; H556-C558 WeakPolarHBondContact ND1-CB 3.23Å; H556-C558 PolarHBondContact ND1-N 3.13Å; H556-C558 VanDerWaalsContact ND1-N 3.1Å; H556-C558 PolarHBondContact O-N 2.98Å; C558-Q560 PolarHBondContact O-N 3.34Å; C558-R561 PolarHBondContact O-N 3.19Å; C558-L562 PolarHBondContact O-N 3.38Å |
| 559 | C | 82.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 112 | F553 H556 R561 L562 L563 | F553-C559 PolarHBondContact O-SG 3.16Å; H556-C559 WeakPolarHBondContact O-CB 3.38Å; H556-C559 PolarHBondContact O-N 2.95Å; H556-C559 VanDerWaalsContact O-N 3.16Å; C559-R561 PolarHBondContact O-N 3.49Å; C559-L562 PolarHBondContact O-N 3.26Å; C559-L563 VanDerWaalsContact O-CG 3.26Å; C559-L563 WeakPolarHBondContact O-CG 3.34Å; C559-L563 PolarHBondContact O-N 3.16Å |
| 560 | Q | 83 | Confident | 80.1 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.2 | -68.8 | -63.2 | -36.7 | 0 | 0 | 112.6 | L554 H556 C558 L563 D564 | L554-Q560 PolarHBondContact O-NE2 2.9Å; H556-Q560 WeakPolarHBondContact O-CG 3.23Å; H556-Q560 PolarHBondContact O-N 3.21Å; C558-Q560 PolarHBondContact O-N 3.34Å; Q560-L563 PolarHBondContact O-N 3.02Å; Q560-D564 PolarHBondContact O-N 2.82Å |
| 561 | R | 82.1 | Confident | 80.4 | Confident | 121 Ų | 121 | 37.2 Ų | 37.2 | 46% | 0.457 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 176.3 | -176.2 | -173.9 | -178 | 111.3 | 9.6 | 111.7 | R557 C558 C559 L563 D564 D565 | R557-R561 WeakPolarHBondContact O-CB 3.37Å; R557-R561 PolarHBondContact O-N 3.01Å; R557-R561 VanDerWaalsContact O-N 3.07Å; C558-R561 PolarHBondContact O-N 3.19Å; C559-R561 PolarHBondContact O-N 3.49Å; R561-L563 VanDerWaalsContact C-N 3.27Å; R561-L563 PolarHBondContact O-N 3.23Å; R561-D564 WeakPolarHBondContact O-CB 3.45Å; R561-D564 PolarHBondContact O-N 3.2Å; R561-D565 PolarHBondContact O-N 2.88Å |
| 562 | L | 82.3 | Confident | 80.6 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -38.5 | 176 | 168.9 | 57.7 | 0 | 0 | 0 | 111.6 | V526 L529 T530 L542 C558 C559 D565 L566 | V526-L562 HydrophobicContact CG1-CB 4.38Å; V526-L562 HydrophobicContact CG1-CD1 3.98Å; L529-L562 HydrophobicContact CB-CD2 4.01Å; L529-L562 HydrophobicContact CD1-CD2 4.21Å; T530-L562 HydrophobicContact CG2-CD1 3.88Å; T530-L562 HydrophobicContact CG2-CD2 3.46Å; T530-L562 VanDerWaalsContact CG2-CD2 3.46Å; T530-L562 HydrophobicContact CG2-CG 4.3Å; L542-L562 HydrophobicContact CD2-CD2 3.77Å; L542-L562 HydrophobicContact CD2-CG 4.35Å; C558-L562 PolarHBondContact O-N 3.38Å; C559-L562 PolarHBondContact O-N 3.26Å; L562-D565 PolarHBondContact O-N 2.72Å; L562-L566 HydrophobicContact CD1-CD1 3.9Å; L562-L566 HydrophobicContact CD1-CG 3.97Å; L562-L566 HydrophobicContact CG-CD1 4.06Å; L562-L566 WeakPolarHBondContact O-CB 3.41Å; L562-L566 VanDerWaalsContact O-CG 3.27Å; L562-L566 WeakPolarHBondContact O-CG 3.23Å; L562-L566 PolarHBondContact O-N 3.43Å |
| 563 | L | 79.1 | Confident | 80.6 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.8 | -34.2 | 175.7 | -67.8 | 169.9 | 0 | 0 | 0 | 113.3 | L542 C559 Q560 R561 L566 W567 Y946 I949 | L542-L563 HydrophobicContact CD2-CD2 4.46Å; C559-L563 VanDerWaalsContact O-CG 3.26Å; C559-L563 WeakPolarHBondContact O-CG 3.34Å; C559-L563 PolarHBondContact O-N 3.16Å; Q560-L563 PolarHBondContact O-N 3.02Å; R561-L563 VanDerWaalsContact C-N 3.27Å; R561-L563 PolarHBondContact O-N 3.23Å; L563-L566 HydrophobicContact CD2-CD1 4.34Å; L563-W567 WeakPolarHBondContact O-CB 3.36Å; L563-W567 PolarHBondContact O-N 3.45Å; L563-W567 VanDerWaalsContact O-N 3.12Å; L563-Y946 HydrophobicContact CD2-CD2 3.72Å; L563-I949 HydrophobicContact CB-CD1 3.71Å; L563-I949 HydrophobicContact CD2-CD1 3.65Å; L563-I949 HydrophobicContact CG-CD1 4.21Å; L563-I949 WeakPolarHBondContact O-CD1 3.48Å |
| 564 | D | 79.2 | Confident | 80.1 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 168.2 | -79.5 | -39.9 | 0 | 0 | 0 | 111.4 | Q560 R561 L566 W567 H568 R945 | Q560-D564 PolarHBondContact O-N 2.82Å; R561-D564 WeakPolarHBondContact O-CB 3.45Å; R561-D564 PolarHBondContact O-N 3.2Å; D564-L566 PolarHBondContact O-N 3.34Å; D564-W567 PolarHBondContact O-N 2.79Å; D564-H568 PolarHBondContact O-N 3.18Å; D564-H568 PolarHBondContact O-ND1 3.29Å; D564-R945 IonicContact OD1-CZ 3.22Å; D564-R945 IonicContact OD1-NH1 3.41Å; D564-R945 PolarHBondContact OD1-NH1 2.79Å; D564-R945 IonicContact OD1-NH2 3.95Å; D564-R945 PolarHBondContact OD1-NH2 3.43Å; D564-R945 IonicContact OD2-NH1 2.77Å |
| 565 | D | 78.9 | Confident | 79.8 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -34.3 | 179.6 | -100.6 | -54.4 | 0 | 0 | 0 | 113.4 | R561 L562 G569 K597 | R561-D565 PolarHBondContact O-N 2.88Å; L562-D565 PolarHBondContact O-N 2.72Å; D565-G569 PolarHBondContact O-N 3.19Å; D565-G569 VanDerWaalsContact O-N 3.17Å; D565-K597 WeakPolarHBondContact OD1-CE 3.19Å; D565-K597 IonicContact OD1-NZ 3.5Å; D565-K597 PolarHBondContact OD1-NZ 3.27Å |
| 566 | L | 78.6 | Confident | 79.8 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 20% | 0.199 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 172.5 | -75.2 | 167.2 | 0 | 0 | 0 | 111.9 | L562 L563 D564 H568 G569 I949 | L562-L566 HydrophobicContact CD1-CD1 3.9Å; L562-L566 HydrophobicContact CD1-CG 3.97Å; L562-L566 HydrophobicContact CG-CD1 4.06Å; L562-L566 WeakPolarHBondContact O-CB 3.41Å; L562-L566 VanDerWaalsContact O-CG 3.27Å; L562-L566 WeakPolarHBondContact O-CG 3.23Å; L562-L566 PolarHBondContact O-N 3.43Å; L563-L566 HydrophobicContact CD2-CD1 4.34Å; D564-L566 PolarHBondContact O-N 3.34Å; L566-H568 PolarHBondContact O-N 3.4Å; L566-G569 PolarHBondContact O-N 2.83Å; L566-I949 HydrophobicContact CB-CG2 4.09Å |
| 567 | W | 82.2 | Confident | 79.4 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 8% | 0.08 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | -178.2 | -178.3 | -111.4 | 0 | 0 | 0 | 113.5 | L563 D564 P703 I704 F707 V827 I949 Y952 | L563-W567 WeakPolarHBondContact O-CB 3.36Å; L563-W567 PolarHBondContact O-N 3.45Å; L563-W567 VanDerWaalsContact O-N 3.12Å; D564-W567 PolarHBondContact O-N 2.79Å; W567-P703 HydrophobicContact CD2-CB 4.36Å; W567-P703 HydrophobicContact CE3-CB 3.59Å; W567-P703 HydrophobicContact CZ3-CB 3.83Å; W567-P703 WeakPolarHBondContact O-CD 3.46Å; W567-I704 HydrophobicContact CD2-CB 4.42Å; W567-I704 HydrophobicContact CZ2-CB 4.36Å; W567-I704 HydrophobicContact CZ2-CG1 4.35Å; W567-I704 WeakPolarHBondContact O-CB 3.44Å; W567-I704 PolarHBondContact O-N 3.4Å; W567-F707 HydrophobicContact CH2-CB 3.54Å; W567-F707 HydrophobicContact CH2-CD1 4.36Å; W567-F707 HydrophobicContact CH2-CD2 4.05Å; W567-F707 AromaticContact CH2-CG 3.72Å; W567-F707 HydrophobicContact CH2-CG 3.72Å; W567-F707 HydrophobicContact CZ2-CB 3.87Å; W567-F707 HydrophobicContact CZ2-CD1 4.05Å; W567-F707 HydrophobicContact CZ2-CD2 4.5Å; W567-F707 AromaticContact CZ2-CG 3.88Å; W567-F707 HydrophobicContact CZ2-CG 3.88Å; W567-V827 HydrophobicContact CH2-CG1 3.69Å; W567-V827 HydrophobicContact CZ2-CG1 3.63Å; W567-I949 HydrophobicContact CE3-CG1 3.86Å; W567-Y952 HydrophobicContact CH2-CD2 4.32Å; W567-Y952 HydrophobicContact CZ3-CD2 4.27Å; W567-Y952 HydrophobicContact CZ3-CG 4.44Å |
| 568 | H | 82.5 | Confident | 79.3 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -85.7 | -18.2 | 177 | -59.5 | 83.5 | 0 | 0 | 0 | 112.9 | D564 L566 G570 I571 V573 | D564-H568 PolarHBondContact O-N 3.18Å; D564-H568 PolarHBondContact O-ND1 3.29Å; L566-H568 PolarHBondContact O-N 3.4Å; H568-G570 PolarHBondContact O-N 3.16Å; H568-I571 HydrophobicContact CB-CB 4.43Å; H568-I571 WeakPolarHBondContact O-CB 3.35Å; H568-I571 PolarHBondContact O-N 3.09Å; H568-I571 VanDerWaalsContact O-N 3.08Å; H568-V573 HydrophobicContact CB-CG2 4.26Å |
| 569 | G | 79.3 | Confident | 79.3 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -122.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D565 L566 I571 K597 | D565-G569 PolarHBondContact O-N 3.19Å; D565-G569 VanDerWaalsContact O-N 3.17Å; L566-G569 PolarHBondContact O-N 2.83Å; G569-I571 VanDerWaalsContact C-N 3.3Å; G569-I571 PolarHBondContact O-N 3.36Å; G569-K597 WeakPolarHBondContact O-CE 3.48Å; G569-K597 PolarHBondContact O-NZ 3.5Å |
| 570 | G | 75.5 | Confident | 79.4 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | H568 K597 | H568-G570 PolarHBondContact O-N 3.16Å; G570-K597 PolarHBondContact O-N 2.97Å |
| 571 | I | 82.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 141.2 | 176.8 | -53.6 | 171.9 | 0 | 0 | 0 | 108.9 | H568 G569 V581 L594 F596 K597 F699 I704 T705 | H568-I571 HydrophobicContact CB-CB 4.43Å; H568-I571 WeakPolarHBondContact O-CB 3.35Å; H568-I571 PolarHBondContact O-N 3.09Å; H568-I571 VanDerWaalsContact O-N 3.08Å; G569-I571 VanDerWaalsContact C-N 3.3Å; G569-I571 PolarHBondContact O-N 3.36Å; I571-V581 HydrophobicContact CD1-CG2 4.27Å; I571-L594 HydrophobicContact CG2-CD2 4.42Å; I571-F596 HydrophobicContact CG1-CE1 4.2Å; I571-K597 WeakPolarHBondContact O-CE 3.33Å; I571-F699 HydrophobicContact CD1-CD2 3.83Å; I571-F699 HydrophobicContact CD1-CE2 4.3Å; I571-I704 HydrophobicContact CD1-CG2 4.2Å; I571-T705 HydrophobicContact CD1-CG2 4.33Å |
| 572 | R | 77.6 | Confident | 79.8 | Confident | 145 Ų | 145 | 53.3 Ų | 53.3 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | trans | -80.8 | 134.4 | 176.7 | -160.5 | -176.2 | -169.2 | -177.9 | 5 | 110.3 | Q574 D595 | R572-Q574 PolarHBondContact O-N 3.35Å; R572-Q574 VanDerWaalsContact O-N 3.14Å; R572-D595 HydrophobicContact CB-CB 3.62Å; R572-D595 WeakPolarHBondContact CB-O 3.27Å; R572-D595 VanDerWaalsContact CD-OD2 3.29Å; R572-D595 WeakPolarHBondContact CD-OD2 3.35Å; R572-D595 HydrophobicContact CG-CB 4.41Å; R572-D595 IonicContact CZ-OD2 2.8Å; R572-D595 PolarHBondContact N-O 2.86Å; R572-D595 IonicContact NH1-OD2 3.69Å; R572-D595 PolarHBondContact NH1-OD2 2.86Å | ||
| 573 | V | 74.1 | Confident | 80.1 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | trans | -70.4 | 110.8 | 177.8 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | H568 | H568-V573 HydrophobicContact CB-CG2 4.26Š| ||
| 574 | Q | 72.5 | Confident | 80.5 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | -115 | 161.5 | 177 | -70.2 | -178.4 | -22.7 | 0 | 0 | 111.2 | R572 S577 D595 | R572-Q574 PolarHBondContact O-N 3.35Å; R572-Q574 VanDerWaalsContact O-N 3.14Å; Q574-S577 WeakPolarHBondContact O-CB 3.42Å; Q574-S577 PolarHBondContact O-N 3.3Å; Q574-D595 PolarHBondContact NE2-OD2 2.88Å; Q574-D595 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 575 | K | 71.1 | Confident | 80.9 | Confident | 196 Ų | 196 | 54.6 Ų | 54.6 | 85% | 0.852 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 143.2 | 162 | -69.1 | -175.3 | 179.3 | -179.2 | 0 | 108.7 | S577 | K575-S577 PolarHBondContact O-N 2.92Å; K575-S577 VanDerWaalsContact O-N 3.07Å |
| 576 | N | 76.4 | Confident | 81.2 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 69% | 0.69 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 18.2 | -178.6 | -58.3 | -1.8 | 0 | 0 | 0 | 116 | I578 F579 | N576-I578 PolarHBondContact O-N 2.87Å; N576-F579 WeakPolarHBondContact O-CB 3.4Å; N576-F579 PolarHBondContact O-N 3.15Å |
| 577 | S | 77.9 | Confident | 81.7 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -50.8 | -33.6 | -178.1 | 179.6 | 0 | 0 | 0 | 0 | 114.3 | Q574 K575 F579 H580 V581 | Q574-S577 WeakPolarHBondContact O-CB 3.42Å; Q574-S577 PolarHBondContact O-N 3.3Å; K575-S577 PolarHBondContact O-N 2.92Å; K575-S577 VanDerWaalsContact O-N 3.07Å; S577-F579 VanDerWaalsContact C-N 3.31Å; S577-F579 PolarHBondContact O-N 3.2Å; S577-H580 PolarHBondContact O-N 2.84Å; S577-V581 WeakPolarHBondContact O-CB 3.33Å; S577-V581 WeakPolarHBondContact O-CG2 3.46Å; S577-V581 PolarHBondContact O-N 3.08Å |
| 578 | I | 82.3 | Confident | 81.7 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57 | -42 | 175 | -64.8 | 172.4 | 0 | 0 | 0 | 112.1 | N576 V581 L582 W708 | N576-I578 PolarHBondContact O-N 2.87Å; I578-V581 PolarHBondContact O-N 3.22Å; I578-L582 HydrophobicContact CG2-CD1 3.95Å; I578-L582 WeakPolarHBondContact O-CB 3.46Å; I578-L582 WeakPolarHBondContact O-CG 3.3Å; I578-L582 PolarHBondContact O-N 2.79Å; I578-W708 HydrophobicContact CG2-CH2 4.5Å; I578-W708 HydrophobicContact CG2-CZ2 3.63Å |
| 579 | F | 85 | Confident | 81.8 | Confident | 129 Ų | 129 | 72.1 Ų | 72.1 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.4 | -47.3 | 179.4 | 177.3 | -98.6 | 0 | 0 | 0 | 111.1 | N576 S577 V581 L582 L583 | N576-F579 WeakPolarHBondContact O-CB 3.4Å; N576-F579 PolarHBondContact O-N 3.15Å; S577-F579 VanDerWaalsContact C-N 3.31Å; S577-F579 PolarHBondContact O-N 3.2Å; F579-V581 VanDerWaalsContact C-N 3.33Å; F579-V581 PolarHBondContact O-N 2.98Å; F579-L582 PolarHBondContact O-N 3.4Å; F579-L583 HydrophobicContact CE1-CD2 4.42Å; F579-L583 VanDerWaalsContact O-CB 3.31Å; F579-L583 WeakPolarHBondContact O-CB 3.49Å; F579-L583 PolarHBondContact O-N 3Å |
| 580 | H | 85.4 | Confident | 82 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 26% | 0.255 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 177.5 | -66.7 | -88.3 | 0 | 0 | 0 | 112.5 | S577 A584 L594 | S577-H580 PolarHBondContact O-N 2.84Å; H580-A584 WeakPolarHBondContact O-CB 3.48Å; H580-A584 PolarHBondContact O-N 3.01Å; H580-L594 HydrophobicContact CB-CD2 3.6Å |
| 581 | V | 87.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | I571 S577 I578 F579 A584 V585 L594 I704 T705 | I571-V581 HydrophobicContact CD1-CG2 4.27Å; S577-V581 WeakPolarHBondContact O-CB 3.33Å; S577-V581 WeakPolarHBondContact O-CG2 3.46Å; S577-V581 PolarHBondContact O-N 3.08Å; I578-V581 PolarHBondContact O-N 3.22Å; F579-V581 VanDerWaalsContact C-N 3.33Å; F579-V581 PolarHBondContact O-N 2.98Å; V581-A584 PolarHBondContact O-N 3.29Å; V581-V585 HydrophobicContact CG1-CG2 4.47Å; V581-V585 WeakPolarHBondContact O-CG2 3.29Å; V581-V585 PolarHBondContact O-N 2.61Å; V581-L594 HydrophobicContact CG2-CD2 4.46Å; V581-I704 HydrophobicContact CG1-CG1 4.29Å; V581-I704 HydrophobicContact CG1-CG2 4.49Å; V581-I704 HydrophobicContact CG2-CD1 4.44Å; V581-T705 HydrophobicContact CG1-CG2 3.97Å |
| 582 | L | 87.5 | Confident | 82.3 | Confident | 44 Ų | 44 | 76 Ų | 76 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 174.7 | -80.8 | 168.8 | 0 | 0 | 0 | 111.9 | I578 F579 A584 V585 L586 W708 L712 | I578-L582 HydrophobicContact CG2-CD1 3.95Å; I578-L582 WeakPolarHBondContact O-CB 3.46Å; I578-L582 WeakPolarHBondContact O-CG 3.3Å; I578-L582 PolarHBondContact O-N 2.79Å; F579-L582 PolarHBondContact O-N 3.4Å; L582-A584 VanDerWaalsContact C-N 3.32Å; L582-A584 PolarHBondContact O-N 3.46Å; L582-V585 PolarHBondContact O-N 2.9Å; L582-L586 WeakPolarHBondContact O-CG 3.47Å; L582-L586 PolarHBondContact O-N 3.44Å; L582-W708 HydrophobicContact CD1-CZ2 4.46Å; L582-W708 HydrophobicContact CD2-CB 4.16Å; L582-W708 HydrophobicContact CD2-CD2 3.68Å; L582-W708 HydrophobicContact CD2-CE3 3.7Å; L582-W708 HydrophobicContact CD2-CG 3.9Å; L582-W708 HydrophobicContact CD2-CZ3 4.33Å; L582-W708 HydrophobicContact CG-CD2 4.16Å; L582-W708 HydrophobicContact CG-CE3 4.48Å; L582-W708 HydrophobicContact CG-CG 4.39Å; L582-L712 HydrophobicContact CD2-CD1 4.44Å |
| 583 | L | 87.6 | Confident | 82.3 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.1 | -169.8 | 72.5 | 0 | 0 | 0 | 111.4 | F579 L586 F587 A590 | F579-L583 HydrophobicContact CE1-CD2 4.42Å; F579-L583 VanDerWaalsContact O-CB 3.31Å; F579-L583 WeakPolarHBondContact O-CB 3.49Å; F579-L583 PolarHBondContact O-N 3Å; L583-L586 PolarHBondContact O-N 2.93Å; L583-F587 HydrophobicContact CD1-CD2 3.91Å; L583-F587 HydrophobicContact CD1-CE2 4.32Å; L583-F587 WeakPolarHBondContact O-CA 3.23Å; L583-F587 WeakPolarHBondContact O-CB 3.5Å; L583-F587 PolarHBondContact O-N 3.43Å; L583-A590 HydrophobicContact CD2-CB 4.01Å; L583-A590 HydrophobicContact CG-CB 3.87Å |
| 584 | A | 87 | Confident | 82.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.9 | -23.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | H580 V581 L582 A590 I591 L594 F699 | H580-A584 WeakPolarHBondContact O-CB 3.48Å; H580-A584 PolarHBondContact O-N 3.01Å; V581-A584 PolarHBondContact O-N 3.29Å; L582-A584 VanDerWaalsContact C-N 3.32Å; L582-A584 PolarHBondContact O-N 3.46Å; A584-A590 HydrophobicContact CB-CB 4.4Å; A584-I591 HydrophobicContact CB-CG1 3.87Å; A584-L594 HydrophobicContact CB-CD1 3.79Å; A584-F699 HydrophobicContact CB-CE1 4.39Å; A584-F699 HydrophobicContact CB-CE2 3.69Å; A584-F699 HydrophobicContact CB-CZ 3.47Å; A584-F699 VanDerWaalsContact CB-CZ 3.47Å |
| 585 | V | 87.5 | Confident | 82.9 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77 | -39.7 | 170.9 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | V581 L582 F699 T705 L709 L712 | V581-V585 HydrophobicContact CG1-CG2 4.47Å; V581-V585 WeakPolarHBondContact O-CG2 3.29Å; V581-V585 PolarHBondContact O-N 2.61Å; L582-V585 PolarHBondContact O-N 2.9Å; V585-F699 HydrophobicContact CG2-CE1 4.16Å; V585-F699 HydrophobicContact CG2-CZ 3.85Å; V585-T705 HydrophobicContact CG2-CG2 4.44Å; V585-L709 HydrophobicContact CG1-CD2 3.68Å; V585-L709 HydrophobicContact CG1-CG 4.02Å; V585-L712 HydrophobicContact CG1-CD1 3.6Å |
| 586 | L | 86.9 | Confident | 83.4 | Confident | 101 Ų | 101 | 61.4 Ų | 61.4 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.7 | -39.6 | 177.4 | -67.6 | 172 | 0 | 0 | 0 | 112.5 | L582 L583 L712 | L582-L586 WeakPolarHBondContact O-CG 3.47Å; L582-L586 PolarHBondContact O-N 3.44Å; L583-L586 PolarHBondContact O-N 2.93Å; L586-L712 HydrophobicContact CD2-CD1 4.08Å |
| 587 | F | 88 | Confident | 83.4 | Confident | 127 Ų | 127 | 56.4 Ų | 56.4 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | trans | -127.2 | 96.1 | -178.2 | -55.6 | -79.1 | 0 | 0 | 0 | 109.7 | L583 F589 A590 | L583-F587 HydrophobicContact CD1-CD2 3.91Å; L583-F587 HydrophobicContact CD1-CE2 4.32Å; L583-F587 WeakPolarHBondContact O-CA 3.23Å; L583-F587 WeakPolarHBondContact O-CB 3.5Å; L583-F587 PolarHBondContact O-N 3.43Å; F587-F589 PolarHBondContact O-N 3.09Å; F587-A590 WeakPolarHBondContact O-CB 3.26Å; F587-A590 PolarHBondContact O-N 2.57Å | ||
| 588 | P | 82.3 | Confident | 82.9 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -56.2 | -23.5 | -175.5 | -29.9 | 36.9 | 0 | 0 | 0 | 115.4 | A590 I591 | P588-A590 VanDerWaalsContact C-N 3.26Å; P588-A590 PolarHBondContact O-N 3.39Å; P588-I591 HydrophobicContact CB-CD1 4.49Å; P588-I591 VanDerWaalsContact O-CB 3.31Å; P588-I591 WeakPolarHBondContact O-CB 3.27Å; P588-I591 WeakPolarHBondContact O-CD1 3.47Å; P588-I591 WeakPolarHBondContact O-CG1 3.44Å; P588-I591 PolarHBondContact O-N 3.36Å |
| 589 | F | 84.6 | Confident | 82.1 | Confident | 184 Ų | 184 | 56.9 Ų | 56.9 | 81% | 0.807 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -63.4 | -28.4 | 172.6 | -64.3 | -73 | 0 | 0 | 0 | 113.4 | F587 I591 M592 | F587-F589 PolarHBondContact O-N 3.09Å; F589-I591 PolarHBondContact O-N 3.35Å; F589-M592 WeakPolarHBondContact O-CG 3.46Å; F589-M592 PolarHBondContact O-N 3.36Å |
| 590 | A | 84.6 | Confident | 80.8 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69.9 | -9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L583 A584 F587 P588 M592 T593 | L583-A590 HydrophobicContact CD2-CB 4.01Å; L583-A590 HydrophobicContact CG-CB 3.87Å; A584-A590 HydrophobicContact CB-CB 4.4Å; F587-A590 WeakPolarHBondContact O-CB 3.26Å; F587-A590 PolarHBondContact O-N 2.57Å; P588-A590 VanDerWaalsContact C-N 3.26Å; P588-A590 PolarHBondContact O-N 3.39Å; A590-M592 PolarHBondContact O-N 2.84Å; A590-M592 VanDerWaalsContact O-N 3.09Å; A590-T593 WeakPolarHBondContact O-CB 3.27Å; A590-T593 PolarHBondContact O-N 2.84Å; A590-T593 PolarHBondContact O-OG1 3.34Å |
| 591 | I | 83.8 | Confident | 79.8 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -54.5 | -26.2 | 169.9 | -66.4 | 172.2 | 0 | 0 | 0 | 111.6 | A584 P588 F589 T593 L594 F596 I696 F699 Y700 | A584-I591 HydrophobicContact CB-CG1 3.87Å; P588-I591 HydrophobicContact CB-CD1 4.49Å; P588-I591 VanDerWaalsContact O-CB 3.31Å; P588-I591 WeakPolarHBondContact O-CB 3.27Å; P588-I591 WeakPolarHBondContact O-CD1 3.47Å; P588-I591 WeakPolarHBondContact O-CG1 3.44Å; P588-I591 PolarHBondContact O-N 3.36Å; F589-I591 PolarHBondContact O-N 3.35Å; I591-T593 PolarHBondContact O-N 3.37Å; I591-L594 PolarHBondContact O-N 3.42Å; I591-F596 HydrophobicContact CG2-CE2 4.25Å; I591-F596 HydrophobicContact CG2-CZ 4.05Å; I591-I696 HydrophobicContact CD1-CG1 4.38Å; I591-F699 HydrophobicContact CD1-CD1 3.7Å; I591-F699 HydrophobicContact CD1-CE1 3.95Å; I591-F699 HydrophobicContact CD1-CG 4.19Å; I591-F699 HydrophobicContact CG1-CD1 4.09Å; I591-F699 HydrophobicContact CG1-CD2 4.46Å; I591-F699 HydrophobicContact CG1-CE1 4.1Å; I591-F699 HydrophobicContact CG1-CE2 4.49Å; I591-F699 HydrophobicContact CG1-CG 4.26Å; I591-F699 HydrophobicContact CG1-CZ 4.31Å; I591-Y700 HydrophobicContact CD1-CE2 4.5Å |
| 592 | M | 78.9 | Confident | 78.5 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -66.9 | -23.1 | 176.8 | -52.4 | -44.3 | 155.8 | 0 | 0 | 113.6 | F589 A590 L594 L692 | F589-M592 WeakPolarHBondContact O-CG 3.46Å; F589-M592 PolarHBondContact O-N 3.36Å; A590-M592 PolarHBondContact O-N 2.84Å; A590-M592 VanDerWaalsContact O-N 3.09Å; M592-L594 VanDerWaalsContact C-N 3.33Å; M592-L692 HydrophobicContact CE-CD1 3.69Å; M592-L692 HydrophobicContact CE-CD2 3.88Å; M592-L692 HydrophobicContact CE-CG 3.78Å; M592-L692 HydrophobicContact SD-CD1 3.55Å; M592-L692 VanDerWaalsContact SD-CD1 3.55Å; M592-L692 HydrophobicContact SD-CG 4.22Å |
| 593 | T | 78.5 | Confident | 77 | Confident | 79 Ų | 79 | 59.2 Ų | 59.2 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -83.1 | -6.4 | 179.9 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | A590 I591 | A590-T593 WeakPolarHBondContact O-CB 3.27Å; A590-T593 PolarHBondContact O-N 2.84Å; A590-T593 PolarHBondContact O-OG1 3.34Å; I591-T593 PolarHBondContact O-N 3.37Å |
| 594 | L | 79.2 | Confident | 75.5 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -90.1 | 131.5 | -177.9 | -73.1 | 168.8 | 0 | 0 | 0 | 112.1 | I571 H580 V581 A584 I591 M592 F596 F699 | I571-L594 HydrophobicContact CG2-CD2 4.42Å; H580-L594 HydrophobicContact CB-CD2 3.6Å; V581-L594 HydrophobicContact CG2-CD2 4.46Å; A584-L594 HydrophobicContact CB-CD1 3.79Å; I591-L594 PolarHBondContact O-N 3.42Å; M592-L594 VanDerWaalsContact C-N 3.33Å; L594-F596 HydrophobicContact CB-CD2 4.43Å; L594-F596 HydrophobicContact CB-CE2 3.81Å; L594-F596 HydrophobicContact CB-CZ 4.34Å; L594-F596 VanDerWaalsContact O-CD2 3.23Å; L594-F596 WeakPolarHBondContact O-CD2 3.39Å; L594-F596 PolarHBondContact O-N 3.25Å; L594-F699 HydrophobicContact CD1-CD2 3.66Å; L594-F699 HydrophobicContact CD1-CE2 3.44Å; L594-F699 VanDerWaalsContact CD1-CE2 3.44Å |
| 595 | D | 79.5 | Confident | 74.1 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | trans | -69.1 | 125.9 | 164.2 | -92.8 | 1.8 | 0 | 0 | 0 | 110.2 | R572 Q574 | R572-D595 HydrophobicContact CB-CB 3.62Å; R572-D595 WeakPolarHBondContact CB-O 3.27Å; R572-D595 VanDerWaalsContact CD-OD2 3.29Å; R572-D595 WeakPolarHBondContact CD-OD2 3.35Å; R572-D595 HydrophobicContact CG-CB 4.41Å; R572-D595 IonicContact CZ-OD2 2.8Å; R572-D595 PolarHBondContact N-O 2.86Å; R572-D595 IonicContact NH1-OD2 3.69Å; R572-D595 PolarHBondContact NH1-OD2 2.86Å; Q574-D595 PolarHBondContact NE2-OD2 2.88Å; Q574-D595 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 596 | F | 81.2 | Confident | 72.2 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -106.2 | 150 | 167.5 | -67.6 | -97.7 | 0 | 0 | 0 | 110 | I571 I591 L594 L690 K695 E698 F699 | I571-F596 HydrophobicContact CG1-CE1 4.2Å; I591-F596 HydrophobicContact CG2-CE2 4.25Å; I591-F596 HydrophobicContact CG2-CZ 4.05Å; L594-F596 HydrophobicContact CB-CD2 4.43Å; L594-F596 HydrophobicContact CB-CE2 3.81Å; L594-F596 HydrophobicContact CB-CZ 4.34Å; L594-F596 VanDerWaalsContact O-CD2 3.23Å; L594-F596 WeakPolarHBondContact O-CD2 3.39Å; L594-F596 PolarHBondContact O-N 3.25Å; F596-L690 HydrophobicContact CB-CD1 3.68Å; F596-L690 HydrophobicContact CG-CD1 4.41Å; F596-K695 HydrophobicContact CD2-CB 4.23Å; F596-K695 HydrophobicContact CD2-CD 3.85Å; F596-K695 HydrophobicContact CD2-CG 3.85Å; F596-K695 HydrophobicContact CE1-CB 4.33Å; F596-K695 VanDerWaalsContact CE1-O 3.27Å; F596-K695 WeakPolarHBondContact CE1-O 3.41Å; F596-K695 HydrophobicContact CE2-CB 3.87Å; F596-K695 HydrophobicContact CE2-CD 3.91Å; F596-K695 HydrophobicContact CE2-CG 3.97Å; F596-K695 HydrophobicContact CG-CG 4.24Å; F596-K695 HydrophobicContact CZ-CB 3.93Å; F596-K695 HydrophobicContact CZ-CG 4.45Å; F596-K695 WeakPolarHBondContact CZ-O 3.32Å; F596-E698 HydrophobicContact CD1-CB 4.04Å; F596-E698 HydrophobicContact CE1-CB 4.06Å; F596-F699 HydrophobicContact CE1-CB 4.17Å; F596-F699 HydrophobicContact CZ-CB 4.14Å |
| 597 | K | 75.8 | Confident | 70.1 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 10% | 0.1 | 34% | 0.338 | C | S | . | . | trans | -64.4 | 142.5 | 172.2 | -65.3 | 170.5 | 179.5 | 172.2 | 0 | 109.4 | D565 G569 G570 I571 A601 M602 L690 | D565-K597 WeakPolarHBondContact OD1-CE 3.19Å; D565-K597 IonicContact OD1-NZ 3.5Å; D565-K597 PolarHBondContact OD1-NZ 3.27Å; G569-K597 WeakPolarHBondContact O-CE 3.48Å; G569-K597 PolarHBondContact O-NZ 3.5Å; G570-K597 PolarHBondContact O-N 2.97Å; I571-K597 WeakPolarHBondContact O-CE 3.33Å; K597-A601 HydrophobicContact CB-CB 4.36Å; K597-M602 HydrophobicContact CB-CG 3.72Å; K597-M602 HydrophobicContact CB-SD 4.37Å; K597-L690 VanDerWaalsContact O-CD1 3.28Å; K597-L690 WeakPolarHBondContact O-CD1 3.34Å | ||
| 598 | S | 68.4 | Low | 67.8 | Low | 32 Ų | 32 | 62.8 Ų | 62.8 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | trans | -66.2 | 157.5 | 176.2 | 67.8 | 0 | 0 | 0 | 0 | 111 | D600 A601 M602 | S598-D600 PolarHBondContact O-N 2.87Å; S598-A601 WeakPolarHBondContact O-CB 3.34Å; S598-A601 PolarHBondContact O-N 3.04Å; S598-A601 WeakPolarHBondContact OG-CB 3.46Å; S598-A601 PolarHBondContact OG-N 3.39Å; S598-M602 WeakPolarHBondContact O-CG 3.38Å; S598-M602 PolarHBondContact O-N 3.3Å | ||
| 599 | K | 65.3 | Low | 65.9 | Low | 81 Ų | 81 | 63.6 Ų | 63.6 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.9 | -42.1 | 178.4 | -71.6 | -174.6 | 175.8 | -174 | 0 | 111.9 | M602 L603 L690 | K599-M602 PolarHBondContact O-N 3.1Å; K599-L603 WeakPolarHBondContact O-CG 3.37Å; K599-L603 PolarHBondContact O-N 3.07Å; K599-L690 HydrophobicContact CD-CD2 4.35Å; K599-L690 HydrophobicContact CG-CD2 3.67Å |
| 600 | D | 58.2 | Low | 63.8 | Low | 72 Ų | 72 | 59.9 Ų | 59.9 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.9 | -32.9 | -179.2 | -38.2 | -72.5 | 0 | 0 | 0 | 112.4 | S598 K604 | S598-D600 PolarHBondContact O-N 2.87Å; D600-K604 WeakPolarHBondContact O-CB 3.38Å; D600-K604 VanDerWaalsContact O-CG 3.29Å; D600-K604 WeakPolarHBondContact O-CG 3.33Å; D600-K604 PolarHBondContact O-N 3.38Å |
| 601 | A | 64.1 | Low | 61.5 | Low | 41 Ų | 41 | 61.4 Ų | 61.4 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.5 | -33.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | K597 S598 K604 Q605 | K597-A601 HydrophobicContact CB-CB 4.36Å; S598-A601 WeakPolarHBondContact O-CB 3.34Å; S598-A601 PolarHBondContact O-N 3.04Å; S598-A601 WeakPolarHBondContact OG-CB 3.46Å; S598-A601 PolarHBondContact OG-N 3.39Å; A601-K604 PolarHBondContact O-N 3.16Å; A601-Q605 PolarHBondContact O-N 2.96Å |
| 602 | M | 60.5 | Low | 59.4 | Low | 24 Ų | 24 | 65 Ų | 65 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.1 | -32.9 | 174.7 | -62.3 | -174.9 | 76.1 | 0 | 0 | 112.4 | K597 S598 K599 L690 E698 | K597-M602 HydrophobicContact CB-CG 3.72Å; K597-M602 HydrophobicContact CB-SD 4.37Å; S598-M602 WeakPolarHBondContact O-CG 3.38Å; S598-M602 PolarHBondContact O-N 3.3Å; K599-M602 PolarHBondContact O-N 3.1Å; M602-L690 HydrophobicContact SD-CD1 4.31Å; M602-E698 HydrophobicContact CE-CG 4.14Å; M602-E698 VanDerWaalsContact CE-OE2 3.29Å; M602-E698 WeakPolarHBondContact CE-OE2 3.24Å |
| 603 | L | 55.9 | Low | 57.4 | Low | 139 Ų | 139 | 61.5 Ų | 61.5 | 73% | 0.728 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.4 | -29.7 | 171.5 | -73.2 | 165.5 | 0 | 0 | 0 | 112.7 | K599 | K599-L603 WeakPolarHBondContact O-CG 3.37Å; K599-L603 PolarHBondContact O-N 3.07Å |
| 604 | K | 54.4 | Low | 55.2 | Low | 141 Ų | 141 | 61.9 Ų | 61.9 | 61% | 0.613 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -86 | -18.7 | 175.5 | -71.8 | 177.5 | 179.8 | -173.4 | 0 | 114 | Q527 D600 A601 | Q527-K604 PolarHBondContact NE2-O 3.48Å; D600-K604 WeakPolarHBondContact O-CB 3.38Å; D600-K604 VanDerWaalsContact O-CG 3.29Å; D600-K604 WeakPolarHBondContact O-CG 3.33Å; D600-K604 PolarHBondContact O-N 3.38Å; A601-K604 PolarHBondContact O-N 3.16Å |
| 605 | Q | 59.1 | Low | 53.1 | Low | 47 Ų | 47 | 64.5 Ų | 64.5 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -62.7 | 141.5 | 162.5 | -80.4 | -165.4 | -90.4 | 0 | 0 | 109.2 | A601 Q607 | A601-Q605 PolarHBondContact O-N 2.96Å; Q605-Q607 PolarHBondContact O-N 3.29Å; Q605-Q607 VanDerWaalsContact O-N 3.08Å |
| 606 | P | 47.7 | Very low | 50.9 | Low | 41 Ų | 41 | 64.8 Ų | 64.8 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 115.4 | -170.5 | 23.6 | -33.9 | 0 | 0 | 0 | 112.1 | T530 A608 | T530-P606 HydrophobicContact CG2-CB 4.33Å; T530-P606 HydrophobicContact CG2-CG 3.87Å; T530-P606 WeakPolarHBondContact OG1-CB 3.49Å; T530-P606 WeakPolarHBondContact OG1-CG 3.31Å; P606-A608 PolarHBondContact O-N 3.32Å |
| 607 | Q | 41.1 | Very low | 48.5 | Very low | 93 Ų | 93 | 69.2 Ų | 69.2 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | 60.3 | 170.5 | -70.6 | 163.7 | -37.8 | 0 | 0 | 113.8 | Q605 R609 Q610 N611 | Q605-Q607 PolarHBondContact O-N 3.29Å; Q605-Q607 VanDerWaalsContact O-N 3.08Å; Q607-R609 PolarHBondContact O-N 3.39Å; Q607-Q610 PolarHBondContact O-N 3.44Å; Q607-N611 HydrophobicContact CB-CB 4.4Å; Q607-N611 WeakPolarHBondContact CB-OD1 3.42Å; Q607-N611 VanDerWaalsContact CD-OD1 3.27Å; Q607-N611 PolarHBondContact NE2-ND2 3.49Å; Q607-N611 PolarHBondContact OE1-ND2 2.91Å; Q607-N611 VanDerWaalsContact OE1-ND2 3.17Å; Q607-N611 PolarHBondContact OE1-OD1 2.9Å |
| 608 | A | 39.8 | Very low | 46.3 | Very low | 56 Ų | 56 | 70.4 Ų | 70.4 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.9 | 113.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | P606 Q610 | P606-A608 PolarHBondContact O-N 3.32Å; A608-Q610 PolarHBondContact O-N 2.77Å; A608-Q610 VanDerWaalsContact O-N 3.16Å |
| 609 | R | 43.1 | Very low | 44.5 | Very low | 84 Ų | 84 | 74.4 Ų | 74.4 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -7.5 | 178.7 | -59 | -179.1 | 158.6 | 99.4 | 4.3 | 118.1 | Q607 R617 Y697 E698 | Q607-R609 PolarHBondContact O-N 3.39Å; R609-R617 VanDerWaalsContact O-CZ 3.23Å; R609-R617 PolarHBondContact O-NH1 3.32Å; R609-Y697 VanDerWaalsContact CZ-CE1 3.49Å; R609-E698 IonicContact CZ-OE1 3.75Å; R609-E698 IonicContact CZ-OE2 3.09Å; R609-E698 VanDerWaalsContact CZ-OE2 3.24Å; R609-E698 VanDerWaalsContact NH1-CD 3.31Å; R609-E698 IonicContact NH1-OE1 3.23Å; R609-E698 PolarHBondContact NH1-OE1 3.07Å; R609-E698 IonicContact NH1-OE2 3.05Å; R609-E698 PolarHBondContact NH1-OE2 3.49Å; R609-E698 VanDerWaalsContact NH2-CD 3.29Å; R609-E698 IonicContact NH2-OE1 3.01Å; R609-E698 PolarHBondContact NH2-OE1 2.79Å; R609-E698 IonicContact NH2-OE2 2.79Å; R609-E698 PolarHBondContact NH2-OE2 2.74Å |
| 610 | Q | 39.7 | Very low | 42.7 | Very low | 107 Ų | 107 | 74.7 Ų | 74.7 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -89.7 | -74.1 | -174.9 | -74.5 | -171.7 | -101.9 | 0 | 0 | 112.8 | Q607 A608 L612 G613 E614 | Q607-Q610 PolarHBondContact O-N 3.44Å; A608-Q610 PolarHBondContact O-N 2.77Å; A608-Q610 VanDerWaalsContact O-N 3.16Å; Q610-L612 PolarHBondContact O-N 3.24Å; Q610-G613 CarbonylContact O-C 3.44Å; Q610-G613 WeakPolarHBondContact O-CA 3.42Å; Q610-G613 PolarHBondContact O-N 2.99Å; Q610-E614 HydrophobicContact CB-CG 4.5Å; Q610-E614 WeakPolarHBondContact CB-OE1 3.37Å; Q610-E614 WeakPolarHBondContact CG-OE1 3.41Å; Q610-E614 PolarHBondContact NE2-OE1 3.19Å; Q610-E614 WeakPolarHBondContact O-CG 3.29Å; Q610-E614 PolarHBondContact O-N 3.3Å |
| 611 | N | 37.5 | Very low | 41 | Very low | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -159.2 | -65.3 | 50.7 | 0 | 0 | 0 | 115.3 | S532 Q607 G613 E614 | S532-N611 PolarHBondContact OG-ND2 3.39Å; S532-N611 VanDerWaalsContact OG-ND2 3.17Å; Q607-N611 HydrophobicContact CB-CB 4.4Å; Q607-N611 WeakPolarHBondContact CB-OD1 3.42Å; Q607-N611 VanDerWaalsContact CD-OD1 3.27Å; Q607-N611 PolarHBondContact NE2-ND2 3.49Å; Q607-N611 PolarHBondContact OE1-ND2 2.91Å; Q607-N611 VanDerWaalsContact OE1-ND2 3.17Å; Q607-N611 PolarHBondContact OE1-OD1 2.9Å; N611-G613 PolarHBondContact O-N 3.37Å; N611-E614 PolarHBondContact O-N 2.95Å |
| 612 | L | 39.1 | Very low | 39.1 | Very low | 77 Ų | 77 | 77.9 Ų | 77.9 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -23.7 | 171.8 | -154 | 86.3 | 0 | 0 | 0 | 112.3 | Q610 | Q610-L612 PolarHBondContact O-N 3.24Å |
| 613 | G | 36.5 | Very low | 37.4 | Very low | 14 Ų | 14 | 87.1 Ų | 87.1 | 14% | 0.144 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -87.7 | -32.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q610 N611 S615 F616 R617 | Q610-G613 CarbonylContact O-C 3.44Å; Q610-G613 WeakPolarHBondContact O-CA 3.42Å; Q610-G613 PolarHBondContact O-N 2.99Å; N611-G613 PolarHBondContact O-N 3.37Å; G613-S615 PolarHBondContact O-N 3.4Å; G613-F616 CarbonylContact O-C 3.47Å; G613-F616 VanDerWaalsContact O-C 3.26Å; G613-F616 VanDerWaalsContact O-CA 3.28Å; G613-F616 WeakPolarHBondContact O-CA 3.31Å; G613-F616 WeakPolarHBondContact O-CB 3.48Å; G613-F616 PolarHBondContact O-N 3.49Å; G613-R617 VanDerWaalsContact O-CB 3.29Å; G613-R617 WeakPolarHBondContact O-CB 3.28Å; G613-R617 VanDerWaalsContact O-CG 3.31Å; G613-R617 WeakPolarHBondContact O-CG 3.29Å; G613-R617 PolarHBondContact O-N 2.79Å |
| 614 | E | 32.4 | Very low | 35.9 | Very low | 88 Ų | 88 | 87.3 Ų | 87.3 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -75.9 | -24.8 | -163.6 | -83.9 | 174.5 | -174.8 | 0 | 0 | 115.7 | Q610 N611 F616 R617 | Q610-E614 HydrophobicContact CB-CG 4.5Å; Q610-E614 WeakPolarHBondContact CB-OE1 3.37Å; Q610-E614 WeakPolarHBondContact CG-OE1 3.41Å; Q610-E614 PolarHBondContact NE2-OE1 3.19Å; Q610-E614 WeakPolarHBondContact O-CG 3.29Å; Q610-E614 PolarHBondContact O-N 3.3Å; N611-E614 PolarHBondContact O-N 2.95Å; E614-F616 PolarHBondContact O-N 3.17Å; E614-R617 HydrophobicContact CG-CB 4.4Å |
| 615 | S | 35.3 | Very low | 34.3 | Very low | 60 Ų | 60 | 87.3 Ų | 87.3 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.9 | -24 | 162.5 | -160.2 | 0 | 0 | 0 | 0 | 112.4 | G613 | G613-S615 PolarHBondContact O-N 3.4Å |
| 616 | F | 34.7 | Very low | 32.6 | Very low | 67 Ų | 67 | 91.9 Ų | 91.9 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -114.6 | -13.2 | 179.5 | -81.7 | -83.5 | 0 | 0 | 0 | 116 | G613 E614 E760 | G613-F616 CarbonylContact O-C 3.47Å; G613-F616 VanDerWaalsContact O-C 3.26Å; G613-F616 VanDerWaalsContact O-CA 3.28Å; G613-F616 WeakPolarHBondContact O-CA 3.31Å; G613-F616 WeakPolarHBondContact O-CB 3.48Å; G613-F616 PolarHBondContact O-N 3.49Å; E614-F616 PolarHBondContact O-N 3.17Å; F616-E760 HydrophobicContact CE1-CG 4.14Å; F616-E760 VanDerWaalsContact CZ-CD 3.45Å; F616-E760 HydrophobicContact CZ-CG 4.24Å; F616-E760 VanDerWaalsContact CZ-OE1 3.29Å; F616-E760 WeakPolarHBondContact CZ-OE1 3.34Å |
| 617 | R | 30.7 | Very low | 31.4 | Very low | 122 Ų | 122 | 99 Ų | 99 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -91 | -3.7 | -169.5 | -86.3 | 178.8 | 170.7 | -163 | -1.7 | 115 | R609 G613 E614 F619 I620 | R609-R617 VanDerWaalsContact O-CZ 3.23Å; R609-R617 PolarHBondContact O-NH1 3.32Å; G613-R617 VanDerWaalsContact O-CB 3.29Å; G613-R617 WeakPolarHBondContact O-CB 3.28Å; G613-R617 VanDerWaalsContact O-CG 3.31Å; G613-R617 WeakPolarHBondContact O-CG 3.29Å; G613-R617 PolarHBondContact O-N 2.79Å; E614-R617 HydrophobicContact CG-CB 4.4Å; R617-F619 PolarHBondContact O-N 3.49Å; R617-I620 PolarHBondContact O-N 2.94Å |
| 618 | S | 29 | Very low | 30.5 | Very low | 48 Ų | 48 | 103 Ų | 103 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 16.8 | 174.8 | 58.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 619 | F | 30.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 111.1 Ų | 111.1 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 14.8 | -176.5 | -69.5 | -76.1 | 0 | 0 | 0 | 114.2 | R617 C759 | R617-F619 PolarHBondContact O-N 3.49Å; F619-C759 VanDerWaalsContact CZ-O 3.29Å; F619-C759 WeakPolarHBondContact CZ-O 3.29Å |
| 620 | I | 26.9 | Very low | 28.8 | Very low | 88 Ų | 88 | 113.4 Ų | 113.4 | 45% | 0.451 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -127.8 | 117.8 | 167.1 | -54 | -178.1 | 0 | 0 | 0 | 108.1 | R617 | R617-I620 PolarHBondContact O-N 2.94Š|
| 621 | P | 23 | Very low | 27.9 | Very low | 56 Ų | 56 | 115.8 Ų | 115.8 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 144.9 | 176.1 | 29.5 | -33.4 | 0 | 0 | 0 | 110.7 | R623 C977 | P621-R623 PolarHBondContact O-N 3.43Å; P621-C977 HydrophobicContact CG-CB 3.71Å; P621-C977 WeakPolarHBondContact CG-SG 3.21Å |
| 622 | P | 24.7 | Very low | 27.3 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.4 | -178.9 | 27.7 | -34.2 | 0 | 0 | 0 | 110.4 | I624 | P622-I624 PolarHBondContact O-N 3.35Š|
| 623 | R | 23.6 | Very low | 26.5 | Very low | 217 Ų | 217 | 120.5 Ų | 120.5 | 82% | 0.819 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118.3 | 172.8 | -144.8 | 179.2 | -166.7 | -171.2 | 3.3 | 108.2 | P621 N625 | P621-R623 PolarHBondContact O-N 3.43Å; R623-N625 PolarHBondContact O-N 2.82Å; R623-N625 VanDerWaalsContact O-N 3.13Å |
| 624 | I | 24.8 | Very low | 26 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | trans | -63 | 112 | 178 | -60 | 166.8 | 0 | 0 | 0 | 108.8 | P622 | P622-I624 PolarHBondContact O-N 3.35Š| ||
| 625 | N | 21.8 | Very low | 25.5 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 66% | 0.663 | S | S | * | * | trans | 176.5 | 90.5 | 141.7 | -93 | -17.1 | 0 | 0 | 0 | 112 | R623 | R623-N625 PolarHBondContact O-N 2.82Å; R623-N625 VanDerWaalsContact O-N 3.13Å | ||
| 626 | T | 24 | Very low | 25 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | trans | -133.9 | 69.9 | 155.2 | 46.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 627 | K | 21.4 | Very low | 24.5 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | trans | -66.9 | 156.5 | 147.7 | -71.4 | -172.2 | 176.6 | -175.1 | 0 | 107.7 | ||||
| 628 | Q | 23.3 | Very low | 24.1 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 63.8 | 75.7 | -177.4 | -58.5 | 175.6 | -32.2 | 0 | 0 | 115 | ||
| 629 | Y | 23.3 | Very low | 23.7 | Very low | 227 Ų | 227 | 145.3 Ų | 145.3 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | -159.2 | 42.6 | 120.4 | -118.2 | -76 | 0 | 0 | 0 | 112.6 | N631 | Y629-N631 PolarHBondContact O-N 2.71Š| |||
| 630 | T | 22 | Very low | 23.3 | Very low | 131 Ų | 131 | 151.2 Ų | 151.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -85 | 88.4 | 167.5 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 631 | N | 22.4 | Very low | 23.2 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -173.3 | 99 | 156.2 | -96.8 | -11.5 | 0 | 0 | 0 | 107.5 | Y629 | Y629-N631 PolarHBondContact O-N 2.71Š| ||
| 632 | G | 24 | Very low | 23.2 | Very low | 73 Ų | 73 | 157.5 Ų | 157.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 166.3 | 53.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I634 | G632-I634 PolarHBondContact O-N 2.86Š| ||
| 633 | I | 23.2 | Very low | 23.3 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 114 | 179.8 | -61.5 | 173.2 | 0 | 0 | 0 | 108.2 | E635 | I633-E635 HydrophobicContact CG2-CG 3.86Š| ||
| 634 | I | 25.5 | Very low | 23.2 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -118.1 | 95.4 | 151.5 | -61.2 | -179.1 | 0 | 0 | 0 | 105.6 | G632 V636 | G632-I634 PolarHBondContact O-N 2.86Å; I634-V636 HydrophobicContact CG2-CG2 4.43Å; I634-V636 PolarHBondContact O-N 2.9Å | ||
| 635 | E | 22.2 | Very low | 23.2 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | trans | -64.7 | 112.8 | 159 | -69.9 | -177.2 | 178.7 | 0 | 0 | 107.5 | I633 H637 | I633-E635 HydrophobicContact CG2-CG 3.86Å; E635-H637 PolarHBondContact O-N 3.49Å; E635-H637 IonicContact OE2-CE1 3.28Å; E635-H637 PolarHBondContact OE2-CE1 3.08Å; E635-H637 VanDerWaalsContact OE2-CE1 3.23Å; E635-H637 IonicContact OE2-ND1 3.95Å; E635-H637 PolarHBondContact OE2-ND1 3.03Å | ||
| 636 | V | 25.3 | Very low | 23.3 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 86.1 | 159.6 | -179.3 | 0 | 0 | 0 | 0 | 106 | I634 R638 | I634-V636 HydrophobicContact CG2-CG2 4.43Å; I634-V636 PolarHBondContact O-N 2.9Å; V636-R638 PolarHBondContact O-N 3.24Å | ||
| 637 | H | 22.6 | Very low | 23.3 | Very low | 127 Ų | 127 | 155.1 Ų | 155.1 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | trans | -57.2 | 119.8 | -175.2 | -131.7 | 66.7 | 0 | 0 | 0 | 109.3 | E635 E639 | E635-H637 PolarHBondContact O-N 3.49Å; E635-H637 IonicContact OE2-CE1 3.28Å; E635-H637 PolarHBondContact OE2-CE1 3.08Å; E635-H637 VanDerWaalsContact OE2-CE1 3.23Å; E635-H637 IonicContact OE2-ND1 3.95Å; E635-H637 PolarHBondContact OE2-ND1 3.03Å; H637-E639 PolarHBondContact O-N 3.29Å | ||
| 638 | R | 22.2 | Very low | 23.3 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -84.2 | 64.6 | -173.7 | -166.5 | -175.2 | -168.7 | 165.6 | 5.7 | 110.3 | V636 R640 | V636-R638 PolarHBondContact O-N 3.24Å; R638-R640 PolarHBondContact O-N 3.42Å | ||
| 639 | E | 22.1 | Very low | 23.2 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -63.4 | 109 | -175.4 | -75.5 | -174.1 | 173.1 | 0 | 0 | 112.1 | H637 H641 | H637-E639 PolarHBondContact O-N 3.29Å; E639-H641 VanDerWaalsContact C-N 3.28Å; E639-H641 PolarHBondContact O-N 3.17Å; E639-H641 VanDerWaalsContact O-N 3.12Å; E639-H641 IonicContact OE2-CD2 3.23Å | ||
| 640 | R | 21.7 | Very low | 23.4 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -79.5 | 74.8 | 166.2 | -69.2 | 176 | 172.2 | 164.9 | -4.5 | 109.3 | R638 S642 | R638-R640 PolarHBondContact O-N 3.42Å; R640-S642 PolarHBondContact O-N 2.87Å | ||
| 641 | H | 24.7 | Very low | 23.4 | Very low | 156 Ų | 156 | 148 Ų | 148 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -81.2 | 101 | 169.4 | -97.2 | -67.8 | 0 | 0 | 0 | 111.3 | E639 A643 | E639-H641 VanDerWaalsContact C-N 3.28Å; E639-H641 PolarHBondContact O-N 3.17Å; E639-H641 VanDerWaalsContact O-N 3.12Å; E639-H641 IonicContact OE2-CD2 3.23Å; H641-A643 PolarHBondContact O-N 2.93Å | ||
| 642 | S | 23.2 | Very low | 23.4 | Very low | 120 Ų | 120 | 147 Ų | 147 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -72.9 | 115.5 | 164.6 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | R640 | R640-S642 PolarHBondContact O-N 2.87Š| ||
| 643 | A | 25.1 | Very low | 23.3 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -127.8 | 145.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | H641 | H641-A643 PolarHBondContact O-N 2.93Š| ||
| 644 | K | 22.2 | Very low | 23.3 | Very low | 206 Ų | 206 | 154.2 Ų | 154.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -83.8 | 152.1 | -174.4 | -63.7 | 172.1 | -179.1 | 174.7 | 0 | 110.8 | ||||
| 645 | C | 25.5 | Very low | 23.2 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -62.7 | 167.8 | 171.2 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 646 | P | 23.7 | Very low | 23.2 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -123.7 | 165.5 | 115.7 | 36.1 | -33.6 | 0 | 0 | 0 | 113.3 | |||||
| 647 | Q | 24.3 | Very low | 23.1 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -100.1 | 130.1 | 176 | -59.4 | 159.2 | -53.1 | 0 | 0 | 109.5 | ||||
| 648 | S | 21.5 | Very low | 23 | Very low | 114 Ų | 114 | 160.3 Ų | 160.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -164.9 | 139.3 | 154.8 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 649 | Y | 21.5 | Very low | 23 | Very low | 203 Ų | 203 | 154.3 Ų | 154.3 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | trans | -77 | -175.7 | -179.5 | -44.7 | -83.1 | 0 | 0 | 0 | 111.4 | ||||
| 650 | P | 26.4 | Very low | 23 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -142.3 | -173.6 | 11.1 | 43.8 | -23.2 | 0 | 0 | 0 | 118.4 | ||||
| 651 | E | 22.9 | Very low | 23 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 66% | 0.659 | 79% | 0.786 | S | S | * | * | trans | -69.2 | 147.8 | 171.3 | -51.5 | 144.8 | 109.7 | 0 | 0 | 112.3 | K351 | K351-E651 IonicContact NZ-OE2 3.95Å; K351-E651 PolarHBondContact NZ-OE2 3.44Å | ||
| 652 | T | 22.2 | Very low | 23 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | 178.7 | 112.3 | 130.3 | 31.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 653 | Y | 22.4 | Very low | 22.9 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | 57.9 | 148.1 | 118 | -97.6 | -79.7 | 0 | 0 | 0 | 126.8 | |||||
| 654 | Y | 23.3 | Very low | 22.9 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 74% | 0.737 | 79% | 0.793 | S | S | * | * | trans | 67.5 | 145.7 | 155.5 | -67.8 | -56.6 | 0 | 0 | 0 | 119.6 | ||||
| 655 | T | 22.2 | Very low | 22.9 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | cis | -160.9 | 161.2 | -37.2 | 3.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 656 | D | 21.3 | Very low | 23 | Very low | 134 Ų | 134 | 155.3 Ų | 155.3 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | 3.7 | 127.8 | 143.3 | -170.7 | 17.9 | 0 | 0 | 0 | 119.4 | ||||
| 657 | F | 24 | Very low | 22.9 | Very low | 210 Ų | 210 | 153.8 Ų | 153.8 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -158.4 | 164.3 | 140.2 | -115.4 | -74 | 0 | 0 | 0 | 112 | ||||
| 658 | R | 20.6 | Very low | 22.9 | Very low | 212 Ų | 212 | 153.1 Ų | 153.1 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -129.5 | 148.8 | -162.1 | -172.8 | -179.1 | 178.2 | 154.2 | -0.1 | 113 | ||||
| 659 | T | 22.5 | Very low | 23.2 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | 72.3 | 133.3 | 161.3 | 27.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 660 | E | 21.3 | Very low | 23.3 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 78.7 | 115.2 | 142.7 | -72.6 | 169.2 | -153.6 | 0 | 0 | 123.1 | ||||
| 661 | D | 22.3 | Very low | 23.3 | Very low | 163 Ų | 163 | 158 Ų | 158 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | 42.5 | 98.9 | 136.5 | -72.2 | 18.7 | 0 | 0 | 0 | 122.1 | ||||
| 662 | A | 24.4 | Very low | 23.5 | Very low | 104 Ų | 104 | 162 Ų | 162 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -148 | 140.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 663 | K | 22.6 | Very low | 23.5 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -93.2 | 143.7 | 158.3 | -65.5 | 168.7 | -177.5 | 162.4 | 0 | 108.1 | ||||
| 664 | V | 23.4 | Very low | 23.7 | Very low | 131 Ų | 131 | 158.3 Ų | 158.3 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 159.9 | 146.7 | 133.6 | 153.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 665 | L | 22.7 | Very low | 23.7 | Very low | 150 Ų | 150 | 157.3 Ų | 157.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 28.6 | 120.6 | 167.9 | -98.8 | 60.2 | 0 | 0 | 0 | 120 | ||||
| 666 | I | 26.8 | Very low | 24 | Very low | 174 Ų | 174 | 160.7 Ų | 160.7 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -122.1 | 111.4 | 136.8 | -64 | -178.8 | 0 | 0 | 0 | 107.7 | ||||
| 667 | S | 22.8 | Very low | 24 | Very low | 93 Ų | 93 | 158.7 Ų | 158.7 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -81.7 | 163.9 | 165.2 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | T669 | S667-T669 PolarHBondContact O-N 3.32Š| ||
| 668 | E | 24.2 | Very low | 24 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -56.6 | 131.3 | -175.4 | -53 | -174.9 | 143 | 0 | 0 | 114.3 | R670 | E668-R670 IonicContact OE2-NH2 3.75Š| ||
| 669 | T | 27.7 | Very low | 24.2 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -132.1 | 135.8 | 146.3 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | S667 | S667-T669 PolarHBondContact O-N 3.32Š| ||
| 670 | R | 22.9 | Very low | 24.4 | Very low | 218 Ų | 218 | 148.8 Ų | 148.8 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | -93.5 | 136.6 | -170.9 | -57.4 | 173.1 | -169.2 | 158.3 | 5.8 | 110.3 | E668 | E668-R670 IonicContact OE2-NH2 3.75Š| ||
| 671 | L | 27.4 | Very low | 24.8 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | trans | -113.1 | 139.1 | 159.4 | -93.3 | 165.6 | 0 | 0 | 0 | 109.3 | ||||
| 672 | R | 26 | Very low | 24.9 | Very low | 225 Ų | 225 | 148 Ų | 148 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 125.7 | -164.7 | -76.1 | 176.7 | 171.2 | 160.1 | -4.2 | 113.3 | S674 | R672-S674 PolarHBondContact O-N 3.29Š| ||
| 673 | D | 23.2 | Very low | 25 | Very low | 132 Ų | 132 | 150 Ų | 150 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 43 | 67.3 | 120.1 | -45.7 | -45.9 | 0 | 0 | 0 | 117.5 | |||||
| 674 | S | 25.6 | Very low | 25.2 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -82.6 | 121.4 | 143 | 56.8 | 0 | 0 | 0 | 0 | 108.3 | R672 F676 | R672-S674 PolarHBondContact O-N 3.29Å; S674-F676 VanDerWaalsContact C-N 3.28Å; S674-F676 PolarHBondContact O-N 3.44Å | ||
| 675 | H | 23.7 | Very low | 25.6 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -71.8 | 72.1 | -172.2 | -82.3 | -95.2 | 0 | 0 | 0 | 113.3 | S677 | H675-S677 VanDerWaalsContact C-N 3.29Å; H675-S677 PolarHBondContact O-N 3.04Å; H675-S677 VanDerWaalsContact O-N 3.16Å | ||
| 676 | F | 27.7 | Very low | 26 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -82.5 | 83.2 | 157.3 | -153.7 | -89.6 | 0 | 0 | 0 | 109.4 | S674 C678 | S674-F676 VanDerWaalsContact C-N 3.28Å; S674-F676 PolarHBondContact O-N 3.44Å; F676-C678 HydrophobicContact CD1-CB 4.46Å; F676-C678 PolarHBondContact O-N 3.05Å | ||
| 677 | S | 22 | Very low | 26.6 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -67.1 | 69.3 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | H675 S679 | H675-S677 VanDerWaalsContact C-N 3.29Å; H675-S677 PolarHBondContact O-N 3.04Å; H675-S677 VanDerWaalsContact O-N 3.16Å; S677-S679 PolarHBondContact O-N 2.93Å | ||
| 678 | C | 25 | Very low | 27.8 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | trans | -63.5 | 91.1 | 163.3 | -173.2 | 0 | 0 | 0 | 0 | 107 | F676 T680 | F676-C678 HydrophobicContact CD1-CB 4.46Å; F676-C678 PolarHBondContact O-N 3.05Å; C678-T680 PolarHBondContact O-N 2.7Å; C678-T680 PolarHBondContact O-OG1 3.1Å | ||
| 679 | S | 24.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 143.4 Ų | 143.4 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -63 | 105.9 | -171.8 | 47.5 | 0 | 0 | 0 | 0 | 109 | S677 V681 | S677-S679 PolarHBondContact O-N 2.93Å; S679-V681 PolarHBondContact O-N 3.05Å | ||
| 680 | T | 25.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -70.9 | 73.9 | 179.2 | -36.8 | 0 | 0 | 0 | 0 | 109.2 | C678 R682 | C678-T680 PolarHBondContact O-N 2.7Å; C678-T680 PolarHBondContact O-OG1 3.1Å; T680-R682 PolarHBondContact O-N 3.02Å | ||
| 681 | V | 29.2 | Very low | 34.1 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 62% | 0.624 | 69% | 0.69 | S | S | * | * | trans | -67.1 | 80.5 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | S679 K683 | S679-V681 PolarHBondContact O-N 3.05Å; V681-K683 HydrophobicContact CG1-CB 4.15Å; V681-K683 HydrophobicContact CG1-CD 4.07Å; V681-K683 HydrophobicContact CG1-CG 3.73Å; V681-K683 PolarHBondContact O-N 3.17Å | ||
| 682 | R | 25.8 | Very low | 36.6 | Very low | 218 Ų | 218 | 126.7 Ų | 126.7 | 82% | 0.823 | 67% | 0.672 | S | S | * | * | trans | -64 | 63.4 | 156.1 | -83.8 | -177.8 | 164.8 | 170.7 | -4.7 | 108.4 | T680 N684 | T680-R682 PolarHBondContact O-N 3.02Å; R682-N684 PolarHBondContact O-N 3.39Å; R682-N684 VanDerWaalsContact O-N 3.14Å | ||
| 683 | K | 26.3 | Very low | 39.2 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | trans | -61.7 | 113.7 | 151.1 | -93.3 | 177.5 | 178.2 | 177.6 | 0 | 105.2 | V681 Q685 | V681-K683 HydrophobicContact CG1-CB 4.15Å; V681-K683 HydrophobicContact CG1-CD 4.07Å; V681-K683 HydrophobicContact CG1-CG 3.73Å; V681-K683 PolarHBondContact O-N 3.17Å; K683-Q685 HydrophobicContact CB-CG 4.2Å; K683-Q685 PolarHBondContact O-N 3.05Å | ||
| 684 | N | 25.9 | Very low | 42 | Very low | 152 Ų | 152 | 115.2 Ų | 115.2 | 81% | 0.813 | 64% | 0.638 | S | S | * | * | trans | -68.2 | 66.9 | 165.2 | -73.5 | -17.4 | 0 | 0 | 0 | 108.5 | R682 T686 | R682-N684 PolarHBondContact O-N 3.39Å; R682-N684 VanDerWaalsContact O-N 3.14Å; N684-T686 VanDerWaalsContact C-N 3.31Å; N684-T686 PolarHBondContact O-N 3.32Å | ||
| 685 | Q | 32.6 | Very low | 44.7 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | trans | -71.4 | 93.2 | 169.9 | -89.1 | 169.5 | -35.3 | 0 | 0 | 107.3 | K683 M687 | K683-Q685 HydrophobicContact CB-CG 4.2Å; K683-Q685 PolarHBondContact O-N 3.05Å; Q685-M687 PolarHBondContact O-N 2.9Å | ||
| 686 | T | 31.3 | Very low | 47.6 | Very low | 129 Ų | 129 | 107 Ų | 107 | 79% | 0.791 | 59% | 0.588 | S | S | * | * | trans | -41.6 | 125 | 161.1 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | N684 S688 | N684-T686 VanDerWaalsContact C-N 3.31Å; N684-T686 PolarHBondContact O-N 3.32Å; T686-S688 PolarHBondContact O-N 3.39Å | ||
| 687 | M | 38.3 | Very low | 50.2 | Low | 160 Ų | 160 | 103.9 Ų | 103.9 | 79% | 0.788 | 57% | 0.572 | S | S | * | * | trans | -58 | 99 | -173.9 | -79.9 | -169.6 | 161 | 0 | 0 | 111.1 | Q685 T689 | Q685-M687 PolarHBondContact O-N 2.9Å; M687-T689 PolarHBondContact O-N 3.43Å | ||
| 688 | S | 49.5 | Very low | 53 | Low | 67 Ų | 67 | 99.9 Ų | 99.9 | 47% | 0.469 | 54% | 0.543 | S | S | . | . | trans | -67.7 | 107.1 | -178.2 | 67.8 | 0 | 0 | 0 | 0 | 110 | T686 | T686-S688 PolarHBondContact O-N 3.39Š| ||
| 689 | T | 60.3 | Low | 56 | Low | 122 Ų | 122 | 95.1 Ų | 95.1 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 136.7 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | M687 | M687-T689 PolarHBondContact O-N 3.43Š|
| 690 | L | 65.8 | Low | 58.8 | Low | 10 Ų | 10 | 93.4 Ų | 93.4 | 5% | 0.052 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 132.6 | 179.2 | -74.3 | 160.8 | 0 | 0 | 0 | 111.2 | F596 K597 K599 M602 Q694 K695 | F596-L690 HydrophobicContact CB-CD1 3.68Å; F596-L690 HydrophobicContact CG-CD1 4.41Å; K597-L690 VanDerWaalsContact O-CD1 3.28Å; K597-L690 WeakPolarHBondContact O-CD1 3.34Å; K599-L690 HydrophobicContact CD-CD2 4.35Å; K599-L690 HydrophobicContact CG-CD2 3.67Å; M602-L690 HydrophobicContact SD-CD1 4.31Å; L690-Q694 HydrophobicContact CD2-CB 4.42Å; L690-Q694 HydrophobicContact CD2-CG 3.89Å; L690-K695 HydrophobicContact CB-CG 3.83Å; L690-K695 WeakPolarHBondContact O-CE 3.47Å |
| 691 | P | 79.2 | Confident | 61.4 | Low | 73 Ų | 73 | 89.9 Ų | 89.9 | 47% | 0.474 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 155.2 | 177.4 | 28.4 | -34.5 | 0 | 0 | 0 | 111.1 | G693 Q694 K695 | P691-G693 PolarHBondContact O-N 3.36Å; P691-Q694 HydrophobicContact CG-CB 3.89Å; P691-Q694 WeakPolarHBondContact O-CA 3.29Å; P691-Q694 WeakPolarHBondContact O-CB 3.45Å; P691-Q694 PolarHBondContact O-N 2.86Å; P691-K695 PolarHBondContact O-N 3.49Å |
| 692 | L | 80.1 | Confident | 64 | Low | 104 Ų | 104 | 85 Ų | 85 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -49.5 | -52.5 | -168.6 | -139.6 | 84 | 0 | 0 | 0 | 113.8 | M592 Q694 K695 I696 | M592-L692 HydrophobicContact CE-CD1 3.69Å; M592-L692 HydrophobicContact CE-CD2 3.88Å; M592-L692 HydrophobicContact CE-CG 3.78Å; M592-L692 HydrophobicContact SD-CD1 3.55Å; M592-L692 VanDerWaalsContact SD-CD1 3.55Å; M592-L692 HydrophobicContact SD-CG 4.22Å; L692-Q694 VanDerWaalsContact C-N 3.27Å; L692-Q694 PolarHBondContact O-N 3.48Å; L692-K695 WeakPolarHBondContact O-CB 3.39Å; L692-K695 PolarHBondContact O-N 3.21Å; L692-I696 WeakPolarHBondContact O-CG1 3.25Å; L692-I696 PolarHBondContact O-N 2.67Å |
| 693 | G | 82.3 | Confident | 66.9 | Low | 53 Ų | 53 | 74.7 Ų | 74.7 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.6 | -30.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P691 Y697 | P691-G693 PolarHBondContact O-N 3.36Å; G693-Y697 WeakPolarHBondContact O-CB 3.33Å; G693-Y697 PolarHBondContact O-N 3.09Å |
| 694 | Q | 80.4 | Confident | 69.8 | Low | 63 Ų | 63 | 67.9 Ų | 67.9 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 174 | -164.3 | 173.3 | 1.7 | 0 | 0 | 111 | L690 P691 L692 I696 Y697 E698 | L690-Q694 HydrophobicContact CD2-CB 4.42Å; L690-Q694 HydrophobicContact CD2-CG 3.89Å; P691-Q694 HydrophobicContact CG-CB 3.89Å; P691-Q694 WeakPolarHBondContact O-CA 3.29Å; P691-Q694 WeakPolarHBondContact O-CB 3.45Å; P691-Q694 PolarHBondContact O-N 2.86Å; L692-Q694 VanDerWaalsContact C-N 3.27Å; L692-Q694 PolarHBondContact O-N 3.48Å; Q694-I696 VanDerWaalsContact C-N 3.31Å; Q694-I696 PolarHBondContact O-N 3.43Å; Q694-Y697 PolarHBondContact O-N 3.09Å; Q694-E698 HydrophobicContact CG-CG 4.36Å; Q694-E698 WeakPolarHBondContact O-CG 3.48Å; Q694-E698 PolarHBondContact O-N 3.09Å |
| 695 | K | 82.3 | Confident | 72.8 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.3 | -46.3 | 171.6 | -70.3 | -172.3 | 175.7 | -169.6 | 0 | 111.7 | F596 L690 P691 L692 Y697 E698 F699 | F596-K695 HydrophobicContact CD2-CB 4.23Å; F596-K695 HydrophobicContact CD2-CD 3.85Å; F596-K695 HydrophobicContact CD2-CG 3.85Å; F596-K695 HydrophobicContact CE1-CB 4.33Å; F596-K695 VanDerWaalsContact CE1-O 3.27Å; F596-K695 WeakPolarHBondContact CE1-O 3.41Å; F596-K695 HydrophobicContact CE2-CB 3.87Å; F596-K695 HydrophobicContact CE2-CD 3.91Å; F596-K695 HydrophobicContact CE2-CG 3.97Å; F596-K695 HydrophobicContact CG-CG 4.24Å; F596-K695 HydrophobicContact CZ-CB 3.93Å; F596-K695 HydrophobicContact CZ-CG 4.45Å; F596-K695 WeakPolarHBondContact CZ-O 3.32Å; L690-K695 HydrophobicContact CB-CG 3.83Å; L690-K695 WeakPolarHBondContact O-CE 3.47Å; P691-K695 PolarHBondContact O-N 3.49Å; L692-K695 WeakPolarHBondContact O-CB 3.39Å; L692-K695 PolarHBondContact O-N 3.21Å; K695-Y697 PolarHBondContact O-N 3.41Å; K695-E698 PolarHBondContact O-N 3.05Å; K695-F699 WeakPolarHBondContact O-CB 3.42Å; K695-F699 PolarHBondContact O-N 2.82Å |
| 696 | I | 84.9 | Confident | 75.3 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 32% | 0.323 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 178.3 | -66.9 | 164.9 | 0 | 0 | 0 | 111.1 | I591 L692 Q694 F699 Y700 | I591-I696 HydrophobicContact CD1-CG1 4.38Å; L692-I696 WeakPolarHBondContact O-CG1 3.25Å; L692-I696 PolarHBondContact O-N 2.67Å; Q694-I696 VanDerWaalsContact C-N 3.31Å; Q694-I696 PolarHBondContact O-N 3.43Å; I696-F699 PolarHBondContact O-N 2.91Å; I696-Y700 HydrophobicContact CG2-CD2 3.86Å; I696-Y700 HydrophobicContact CG2-CE2 3.9Å; I696-Y700 WeakPolarHBondContact O-CD2 3.34Å; I696-Y700 PolarHBondContact O-N 2.73Å; I696-Y700 VanDerWaalsContact O-N 3.11Å |
| 697 | Y | 83.4 | Confident | 78.1 | Confident | 124 Ų | 124 | 48.7 Ų | 48.7 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 175.3 | 178.4 | -106.1 | 0 | 0 | 0 | 112.9 | R609 G693 Q694 K695 F699 Y700 V701 | R609-Y697 VanDerWaalsContact CZ-CE1 3.49Å; G693-Y697 WeakPolarHBondContact O-CB 3.33Å; G693-Y697 PolarHBondContact O-N 3.09Å; Q694-Y697 PolarHBondContact O-N 3.09Å; K695-Y697 PolarHBondContact O-N 3.41Å; Y697-F699 VanDerWaalsContact C-N 3.27Å; Y697-F699 PolarHBondContact O-N 2.68Å; Y697-Y700 PolarHBondContact O-N 2.89Å; Y697-V701 HydrophobicContact CD2-CG2 3.97Å; Y697-V701 HydrophobicContact CE1-CG2 4.32Å; Y697-V701 HydrophobicContact CE2-CG2 3.63Å; Y697-V701 HydrophobicContact CG-CG2 4.44Å; Y697-V701 WeakPolarHBondContact O-CB 3.37Å; Y697-V701 VanDerWaalsContact O-CG2 3.24Å; Y697-V701 WeakPolarHBondContact O-CG2 3.32Å; Y697-V701 PolarHBondContact O-N 3.49Å; Y697-V701 VanDerWaalsContact O-N 3.09Å |
| 698 | E | 80.3 | Confident | 80.6 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 176.7 | -65 | -50.8 | 147.7 | 0 | 0 | 112.2 | F596 M602 R609 Q694 K695 S702 | F596-E698 HydrophobicContact CD1-CB 4.04Å; F596-E698 HydrophobicContact CE1-CB 4.06Å; M602-E698 HydrophobicContact CE-CG 4.14Å; M602-E698 VanDerWaalsContact CE-OE2 3.29Å; M602-E698 WeakPolarHBondContact CE-OE2 3.24Å; R609-E698 IonicContact CZ-OE1 3.75Å; R609-E698 IonicContact CZ-OE2 3.09Å; R609-E698 VanDerWaalsContact CZ-OE2 3.24Å; R609-E698 VanDerWaalsContact NH1-CD 3.31Å; R609-E698 IonicContact NH1-OE1 3.23Å; R609-E698 PolarHBondContact NH1-OE1 3.07Å; R609-E698 IonicContact NH1-OE2 3.05Å; R609-E698 PolarHBondContact NH1-OE2 3.49Å; R609-E698 VanDerWaalsContact NH2-CD 3.29Å; R609-E698 IonicContact NH2-OE1 3.01Å; R609-E698 PolarHBondContact NH2-OE1 2.79Å; R609-E698 IonicContact NH2-OE2 2.79Å; R609-E698 PolarHBondContact NH2-OE2 2.74Å; Q694-E698 HydrophobicContact CG-CG 4.36Å; Q694-E698 WeakPolarHBondContact O-CG 3.48Å; Q694-E698 PolarHBondContact O-N 3.09Å; K695-E698 PolarHBondContact O-N 3.05Å; E698-S702 PolarHBondContact O-N 3.42Å |
| 699 | F | 87.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -58.5 | 175.2 | -177.4 | -104 | 0 | 0 | 0 | 111.7 | I571 A584 V585 I591 L594 F596 K695 I696 Y697 V701 S702 T705 | I571-F699 HydrophobicContact CD1-CD2 3.83Å; I571-F699 HydrophobicContact CD1-CE2 4.3Å; A584-F699 HydrophobicContact CB-CE1 4.39Å; A584-F699 HydrophobicContact CB-CE2 3.69Å; A584-F699 HydrophobicContact CB-CZ 3.47Å; A584-F699 VanDerWaalsContact CB-CZ 3.47Å; V585-F699 HydrophobicContact CG2-CE1 4.16Å; V585-F699 HydrophobicContact CG2-CZ 3.85Å; I591-F699 HydrophobicContact CD1-CD1 3.7Å; I591-F699 HydrophobicContact CD1-CE1 3.95Å; I591-F699 HydrophobicContact CD1-CG 4.19Å; I591-F699 HydrophobicContact CG1-CD1 4.09Å; I591-F699 HydrophobicContact CG1-CD2 4.46Å; I591-F699 HydrophobicContact CG1-CE1 4.1Å; I591-F699 HydrophobicContact CG1-CE2 4.49Å; I591-F699 HydrophobicContact CG1-CG 4.26Å; I591-F699 HydrophobicContact CG1-CZ 4.31Å; L594-F699 HydrophobicContact CD1-CD2 3.66Å; L594-F699 HydrophobicContact CD1-CE2 3.44Å; L594-F699 VanDerWaalsContact CD1-CE2 3.44Å; F596-F699 HydrophobicContact CE1-CB 4.17Å; F596-F699 HydrophobicContact CZ-CB 4.14Å; K695-F699 WeakPolarHBondContact O-CB 3.42Å; K695-F699 PolarHBondContact O-N 2.82Å; I696-F699 PolarHBondContact O-N 2.91Å; Y697-F699 VanDerWaalsContact C-N 3.27Å; Y697-F699 PolarHBondContact O-N 2.68Å; F699-V701 VanDerWaalsContact C-N 3.27Å; F699-V701 PolarHBondContact O-N 2.85Å; F699-S702 PolarHBondContact O-N 2.96Å; F699-S702 VanDerWaalsContact O-N 3.17Å; F699-S702 PolarHBondContact O-OG 3.31Å; F699-T705 HydrophobicContact CD1-CG2 3.96Å; F699-T705 HydrophobicContact CD2-CG2 3.63Å; F699-T705 HydrophobicContact CE1-CG2 3.74Å; F699-T705 HydrophobicContact CE2-CG2 3.37Å; F699-T705 HydrophobicContact CG-CG2 3.91Å; F699-T705 HydrophobicContact CZ-CG2 3.44Å; F699-T705 VanDerWaalsContact CZ-CG2 3.44Å; F699-T705 VanDerWaalsContact O-CG2 3.31Å; F699-T705 WeakPolarHBondContact O-CG2 3.31Å; F699-T705 PolarHBondContact O-OG1 2.85Å |
| 700 | Y | 84.8 | Confident | 83.9 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.6 | -15.2 | -176.4 | -73.9 | -65.1 | 0 | 0 | 0 | 114.7 | I591 I696 Y697 L709 F957 | I591-Y700 HydrophobicContact CD1-CE2 4.5Å; I696-Y700 HydrophobicContact CG2-CD2 3.86Å; I696-Y700 HydrophobicContact CG2-CE2 3.9Å; I696-Y700 WeakPolarHBondContact O-CD2 3.34Å; I696-Y700 PolarHBondContact O-N 2.73Å; I696-Y700 VanDerWaalsContact O-N 3.11Å; Y697-Y700 PolarHBondContact O-N 2.89Å; Y700-L709 HydrophobicContact CD1-CD1 3.94Å; Y700-L709 HydrophobicContact CE1-CD1 4.06Å; Y700-F957 HydrophobicContact CD1-CD2 4.48Å; Y700-F957 VanDerWaalsContact O-CB 3.32Å; Y700-F957 WeakPolarHBondContact O-CB 3.37Å |
| 701 | V | 80.7 | Confident | 85.1 | Confident | 53 Ų | 53 | 37.5 Ų | 37.5 | 32% | 0.321 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -8.1 | 173.7 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | Y697 F699 | Y697-V701 HydrophobicContact CD2-CG2 3.97Å; Y697-V701 HydrophobicContact CE1-CG2 4.32Å; Y697-V701 HydrophobicContact CE2-CG2 3.63Å; Y697-V701 HydrophobicContact CG-CG2 4.44Å; Y697-V701 WeakPolarHBondContact O-CB 3.37Å; Y697-V701 VanDerWaalsContact O-CG2 3.24Å; Y697-V701 WeakPolarHBondContact O-CG2 3.32Å; Y697-V701 PolarHBondContact O-N 3.49Å; Y697-V701 VanDerWaalsContact O-N 3.09Å; F699-V701 VanDerWaalsContact C-N 3.27Å; F699-V701 PolarHBondContact O-N 2.85Å |
| 702 | S | 83.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -73.3 | 144 | 177.1 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | E698 F699 I704 T705 T706 | E698-S702 PolarHBondContact O-N 3.42Å; F699-S702 PolarHBondContact O-N 2.96Å; F699-S702 VanDerWaalsContact O-N 3.17Å; F699-S702 PolarHBondContact O-OG 3.31Å; S702-I704 VanDerWaalsContact C-N 3.3Å; S702-I704 PolarHBondContact O-N 2.84Å; S702-T705 PolarHBondContact O-OG1 2.79Å; S702-T705 VanDerWaalsContact O-OG1 3.07Å; S702-T705 WeakPolarHBondContact OG-CG2 3.42Å; S702-T705 PolarHBondContact OG-OG1 2.86Å; S702-T705 VanDerWaalsContact OG-OG1 3.07Å; S702-T706 PolarHBondContact O-N 3.37Å; S702-T706 PolarHBondContact O-OG1 3.26Å; S702-T706 VanDerWaalsContact O-OG1 3.13Å |
| 703 | P | 85.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -37.7 | 175.9 | -27.7 | 36.3 | 0 | 0 | 0 | 113.6 | W567 T706 F707 H953 | W567-P703 HydrophobicContact CD2-CB 4.36Å; W567-P703 HydrophobicContact CE3-CB 3.59Å; W567-P703 HydrophobicContact CZ3-CB 3.83Å; W567-P703 WeakPolarHBondContact O-CD 3.46Å; P703-T706 PolarHBondContact O-N 3.17Å; P703-F707 WeakPolarHBondContact O-CB 3.47Å; P703-F707 PolarHBondContact O-N 2.98Å; P703-H953 VanDerWaalsContact CG-CE1 3.49Å; P703-H953 WeakPolarHBondContact CG-CE1 3.37Å |
| 704 | I | 87.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | -177.5 | -168.5 | 171.8 | 0 | 0 | 0 | 113.3 | W567 I571 V581 S702 W708 | W567-I704 HydrophobicContact CD2-CB 4.42Å; W567-I704 HydrophobicContact CZ2-CB 4.36Å; W567-I704 HydrophobicContact CZ2-CG1 4.35Å; W567-I704 WeakPolarHBondContact O-CB 3.44Å; W567-I704 PolarHBondContact O-N 3.4Å; I571-I704 HydrophobicContact CD1-CG2 4.2Å; V581-I704 HydrophobicContact CG1-CG1 4.29Å; V581-I704 HydrophobicContact CG1-CG2 4.49Å; V581-I704 HydrophobicContact CG2-CD1 4.44Å; S702-I704 VanDerWaalsContact C-N 3.3Å; S702-I704 PolarHBondContact O-N 2.84Å; I704-W708 PolarHBondContact O-N 3.17Å; I704-W708 VanDerWaalsContact O-N 3.14Å |
| 705 | T | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.5 | -41.8 | 176 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | I571 V581 V585 F699 S702 F707 W708 L709 | I571-T705 HydrophobicContact CD1-CG2 4.33Å; V581-T705 HydrophobicContact CG1-CG2 3.97Å; V585-T705 HydrophobicContact CG2-CG2 4.44Å; F699-T705 HydrophobicContact CD1-CG2 3.96Å; F699-T705 HydrophobicContact CD2-CG2 3.63Å; F699-T705 HydrophobicContact CE1-CG2 3.74Å; F699-T705 HydrophobicContact CE2-CG2 3.37Å; F699-T705 HydrophobicContact CG-CG2 3.91Å; F699-T705 HydrophobicContact CZ-CG2 3.44Å; F699-T705 VanDerWaalsContact CZ-CG2 3.44Å; F699-T705 VanDerWaalsContact O-CG2 3.31Å; F699-T705 WeakPolarHBondContact O-CG2 3.31Å; F699-T705 PolarHBondContact O-OG1 2.85Å; S702-T705 PolarHBondContact O-OG1 2.79Å; S702-T705 VanDerWaalsContact O-OG1 3.07Å; S702-T705 WeakPolarHBondContact OG-CG2 3.42Å; S702-T705 PolarHBondContact OG-OG1 2.86Å; S702-T705 VanDerWaalsContact OG-OG1 3.07Å; T705-F707 VanDerWaalsContact C-N 3.29Å; T705-F707 PolarHBondContact O-N 3.41Å; T705-W708 PolarHBondContact O-N 3.2Å; T705-L709 WeakPolarHBondContact O-CB 3.38Å; T705-L709 WeakPolarHBondContact O-CG 3.21Å; T705-L709 PolarHBondContact O-N 2.9Å |
| 706 | T | 86.7 | Confident | 87.9 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 174.3 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | S702 P703 W710 K955 | S702-T706 PolarHBondContact O-N 3.37Å; S702-T706 PolarHBondContact O-OG1 3.26Å; S702-T706 VanDerWaalsContact O-OG1 3.13Å; P703-T706 PolarHBondContact O-N 3.17Å; T706-W710 WeakPolarHBondContact O-CB 3.37Å; T706-W710 PolarHBondContact O-N 3.27Å; T706-W710 VanDerWaalsContact O-N 3.07Å; T706-K955 HydrophobicContact CG2-CB 4.18Å |
| 707 | F | 89.6 | Confident | 88.3 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 4% | 0.044 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -53.4 | 173.7 | 171.3 | -98.6 | 0 | 0 | 0 | 112.3 | W567 P703 T705 L709 W710 V711 F824 V827 Y952 | W567-F707 HydrophobicContact CH2-CB 3.54Å; W567-F707 HydrophobicContact CH2-CD1 4.36Å; W567-F707 HydrophobicContact CH2-CD2 4.05Å; W567-F707 AromaticContact CH2-CG 3.72Å; W567-F707 HydrophobicContact CH2-CG 3.72Å; W567-F707 HydrophobicContact CZ2-CB 3.87Å; W567-F707 HydrophobicContact CZ2-CD1 4.05Å; W567-F707 HydrophobicContact CZ2-CD2 4.5Å; W567-F707 AromaticContact CZ2-CG 3.88Å; W567-F707 HydrophobicContact CZ2-CG 3.88Å; P703-F707 WeakPolarHBondContact O-CB 3.47Å; P703-F707 PolarHBondContact O-N 2.98Å; T705-F707 VanDerWaalsContact C-N 3.29Å; T705-F707 PolarHBondContact O-N 3.41Å; F707-L709 PolarHBondContact O-N 2.95Å; F707-W710 PolarHBondContact O-N 3.4Å; F707-V711 HydrophobicContact CD1-CG2 4.31Å; F707-V711 HydrophobicContact CD2-CG2 4.29Å; F707-V711 HydrophobicContact CE1-CG2 3.89Å; F707-V711 HydrophobicContact CE2-CG2 3.86Å; F707-V711 HydrophobicContact CG-CG2 4.5Å; F707-V711 HydrophobicContact CZ-CG2 3.66Å; F707-V711 WeakPolarHBondContact O-CG2 3.46Å; F707-V711 PolarHBondContact O-N 2.9Å; F707-F824 HydrophobicContact CE2-CB 4.41Å; F707-F824 HydrophobicContact CE2-CD1 4.08Å; F707-F824 HydrophobicContact CZ-CB 4.49Å; F707-V827 HydrophobicContact CD2-CB 4.44Å; F707-V827 HydrophobicContact CD2-CG1 4.3Å; F707-V827 HydrophobicContact CD2-CG2 4.14Å; F707-V827 HydrophobicContact CE1-CG1 4.49Å; F707-V827 HydrophobicContact CE2-CB 3.71Å; F707-V827 HydrophobicContact CE2-CG1 4Å; F707-V827 HydrophobicContact CE2-CG2 3.55Å; F707-V827 HydrophobicContact CZ-CB 3.83Å; F707-V827 HydrophobicContact CZ-CG1 4.09Å; F707-V827 HydrophobicContact CZ-CG2 4.19Å; F707-Y952 HydrophobicContact CB-CD1 4.13Å; F707-Y952 HydrophobicContact CB-CE1 4.38Å; F707-Y952 HydrophobicContact CB-CG 4.38Å; F707-Y952 HydrophobicContact CD2-CD1 4.36Å; F707-Y952 HydrophobicContact CD2-CD2 4.28Å; F707-Y952 AromaticContact CD2-CE1 3.9Å; F707-Y952 HydrophobicContact CD2-CE1 3.9Å; F707-Y952 AromaticContact CD2-CE2 3.84Å; F707-Y952 HydrophobicContact CD2-CE2 3.84Å; F707-Y952 AromaticContact CD2-CZ 3.65Å; F707-Y952 HydrophobicContact CE2-CE2 4.43Å |
| 708 | W | 89.9 | Confident | 88.8 | Confident | 54 Ų | 54 | 22.7 Ų | 22.7 | 21% | 0.205 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -33.8 | -177.8 | -73 | 119.8 | 0 | 0 | 0 | 113.5 | I578 L582 I704 T705 V711 L712 | I578-W708 HydrophobicContact CG2-CH2 4.5Å; I578-W708 HydrophobicContact CG2-CZ2 3.63Å; L582-W708 HydrophobicContact CD1-CZ2 4.46Å; L582-W708 HydrophobicContact CD2-CB 4.16Å; L582-W708 HydrophobicContact CD2-CD2 3.68Å; L582-W708 HydrophobicContact CD2-CE3 3.7Å; L582-W708 HydrophobicContact CD2-CG 3.9Å; L582-W708 HydrophobicContact CD2-CZ3 4.33Å; L582-W708 HydrophobicContact CG-CD2 4.16Å; L582-W708 HydrophobicContact CG-CE3 4.48Å; L582-W708 HydrophobicContact CG-CG 4.39Å; I704-W708 PolarHBondContact O-N 3.17Å; I704-W708 VanDerWaalsContact O-N 3.14Å; T705-W708 PolarHBondContact O-N 3.2Å; W708-V711 HydrophobicContact CE3-CB 4.15Å; W708-V711 HydrophobicContact CE3-CG1 4.08Å; W708-V711 HydrophobicContact CE3-CG2 4.42Å; W708-V711 HydrophobicContact CZ3-CG1 4.15Å; W708-V711 PolarHBondContact O-N 3.42Å; W708-L712 WeakPolarHBondContact O-CB 3.43Å; W708-L712 VanDerWaalsContact O-CG 3.29Å; W708-L712 WeakPolarHBondContact O-CG 3.32Å; W708-L712 PolarHBondContact O-N 3.42Å |
| 709 | L | 90 | Very high | 89.5 | Confident | 32 Ų | 32 | 26 Ų | 26 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 171.6 | -76.5 | 164.2 | 0 | 0 | 0 | 112 | V585 Y700 T705 F707 S713 P959 | V585-L709 HydrophobicContact CG1-CD2 3.68Å; V585-L709 HydrophobicContact CG1-CG 4.02Å; Y700-L709 HydrophobicContact CD1-CD1 3.94Å; Y700-L709 HydrophobicContact CE1-CD1 4.06Å; T705-L709 WeakPolarHBondContact O-CB 3.38Å; T705-L709 WeakPolarHBondContact O-CG 3.21Å; T705-L709 PolarHBondContact O-N 2.9Å; F707-L709 PolarHBondContact O-N 2.95Å; L709-S713 WeakPolarHBondContact O-CB 3.37Å; L709-S713 PolarHBondContact O-N 2.9Å; L709-P959 HydrophobicContact CB-CG 4.34Å |
| 710 | W | 90.5 | Very high | 89.7 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 9% | 0.087 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | 175.8 | -81.4 | 63.9 | 0 | 0 | 0 | 112.5 | T706 F707 Y714 K955 P956 L958 P959 P960 T963 | T706-W710 WeakPolarHBondContact O-CB 3.37Å; T706-W710 PolarHBondContact O-N 3.27Å; T706-W710 VanDerWaalsContact O-N 3.07Å; F707-W710 PolarHBondContact O-N 3.4Å; W710-Y714 WeakPolarHBondContact O-CB 3.41Å; W710-Y714 PolarHBondContact O-N 3.3Å; W710-Y714 VanDerWaalsContact O-N 3.12Å; W710-K955 HydrophobicContact CD2-CD 4.13Å; W710-K955 HydrophobicContact CE3-CD 4.25Å; W710-K955 HydrophobicContact CH2-CD 4.27Å; W710-K955 HydrophobicContact CH2-CG 4.41Å; W710-K955 HydrophobicContact CZ2-CB 4.18Å; W710-K955 HydrophobicContact CZ2-CD 4.14Å; W710-K955 HydrophobicContact CZ2-CG 4.13Å; W710-K955 HydrophobicContact CZ3-CD 4.32Å; W710-P956 HydrophobicContact CZ2-CG 3.98Å; W710-P956 PolarHBondContact NE1-O 3.28Å; W710-L958 PolarHBondContact NE1-O 3.44Å; W710-P959 HydrophobicContact CD2-CB 4.43Å; W710-P959 HydrophobicContact CG-CB 4.05Å; W710-P960 HydrophobicContact CH2-CG 4.07Å; W710-P960 HydrophobicContact CZ3-CG 4.13Å; W710-T963 HydrophobicContact CZ2-CG2 4.26Å |
| 711 | V | 90.8 | Very high | 90.1 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 10% | 0.097 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -50.7 | 173.8 | 170 | 0 | 0 | 0 | 0 | 111.4 | F707 W708 S713 Y714 I715 F824 | F707-V711 HydrophobicContact CD1-CG2 4.31Å; F707-V711 HydrophobicContact CD2-CG2 4.29Å; F707-V711 HydrophobicContact CE1-CG2 3.89Å; F707-V711 HydrophobicContact CE2-CG2 3.86Å; F707-V711 HydrophobicContact CG-CG2 4.5Å; F707-V711 HydrophobicContact CZ-CG2 3.66Å; F707-V711 WeakPolarHBondContact O-CG2 3.46Å; F707-V711 PolarHBondContact O-N 2.9Å; W708-V711 HydrophobicContact CE3-CB 4.15Å; W708-V711 HydrophobicContact CE3-CG1 4.08Å; W708-V711 HydrophobicContact CE3-CG2 4.42Å; W708-V711 HydrophobicContact CZ3-CG1 4.15Å; W708-V711 PolarHBondContact O-N 3.42Å; V711-S713 PolarHBondContact O-N 3.14Å; V711-Y714 PolarHBondContact O-N 2.97Å; V711-Y714 VanDerWaalsContact O-N 3.14Å; V711-I715 HydrophobicContact CG1-CD1 3.87Å; V711-I715 WeakPolarHBondContact O-CG1 3.41Å; V711-I715 PolarHBondContact O-N 3.44Å; V711-F824 HydrophobicContact CG2-CB 3.99Å; V711-F824 HydrophobicContact CG2-CD1 3.42Å; V711-F824 VanDerWaalsContact CG2-CD1 3.42Å; V711-F824 HydrophobicContact CG2-CE1 4.1Å; V711-F824 HydrophobicContact CG2-CG 3.9Å |
| 712 | L | 91.2 | Very high | 90.8 | Very high | 48 Ų | 48 | 26.7 Ų | 26.7 | 25% | 0.251 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.5 | -42.3 | -178 | -73.4 | 169 | 0 | 0 | 0 | 111.8 | L582 V585 L586 W708 Y714 I715 V716 | L582-L712 HydrophobicContact CD2-CD1 4.44Å; V585-L712 HydrophobicContact CG1-CD1 3.6Å; L586-L712 HydrophobicContact CD2-CD1 4.08Å; W708-L712 WeakPolarHBondContact O-CB 3.43Å; W708-L712 VanDerWaalsContact O-CG 3.29Å; W708-L712 WeakPolarHBondContact O-CG 3.32Å; W708-L712 PolarHBondContact O-N 3.42Å; L712-Y714 VanDerWaalsContact C-N 3.28Å; L712-Y714 PolarHBondContact O-N 3.32Å; L712-I715 PolarHBondContact O-N 3.07Å; L712-V716 WeakPolarHBondContact O-CG2 3.33Å; L712-V716 PolarHBondContact O-N 3.37Å |
| 713 | S | 91.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -35.3 | 174.6 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | L709 V711 V716 F717 P960 | L709-S713 WeakPolarHBondContact O-CB 3.37Å; L709-S713 PolarHBondContact O-N 2.9Å; V711-S713 PolarHBondContact O-N 3.14Å; S713-V716 PolarHBondContact O-N 3.3Å; S713-F717 WeakPolarHBondContact O-CB 3.3Å; S713-F717 PolarHBondContact O-N 2.75Å; S713-P960 PolarHBondContact OG-O 3.4Å |
| 714 | Y | 93.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.6 | -33.9 | 175.8 | -163.6 | -123.9 | 0 | 0 | 0 | 113.2 | W710 V711 L712 F717 L718 Y743 C817 R820 L821 F824 | W710-Y714 WeakPolarHBondContact O-CB 3.41Å; W710-Y714 PolarHBondContact O-N 3.3Å; W710-Y714 VanDerWaalsContact O-N 3.12Å; V711-Y714 PolarHBondContact O-N 2.97Å; V711-Y714 VanDerWaalsContact O-N 3.14Å; L712-Y714 VanDerWaalsContact C-N 3.28Å; L712-Y714 PolarHBondContact O-N 3.32Å; Y714-F717 HydrophobicContact CD2-CB 4.35Å; Y714-F717 AromaticContact CD2-CD1 3.66Å; Y714-F717 HydrophobicContact CD2-CD1 3.66Å; Y714-F717 HydrophobicContact CD2-CE1 4.34Å; Y714-F717 HydrophobicContact CD2-CG 4.24Å; Y714-F717 AromaticContact CE2-CD1 3.38Å; Y714-F717 HydrophobicContact CE2-CD1 3.38Å; Y714-F717 AromaticContact CE2-CE1 3.61Å; Y714-F717 HydrophobicContact CE2-CE1 3.61Å; Y714-F717 HydrophobicContact CE2-CG 4.3Å; Y714-F717 WeakPolarHBondContact O-CB 3.45Å; Y714-F717 PolarHBondContact O-N 2.73Å; Y714-L718 HydrophobicContact CD1-CD1 4.09Å; Y714-L718 HydrophobicContact CD1-CG 4.49Å; Y714-L718 HydrophobicContact CE1-CD1 3.94Å; Y714-L718 HydrophobicContact CE1-CG 4.26Å; Y714-L718 WeakPolarHBondContact O-CG 3.35Å; Y714-L718 PolarHBondContact O-N 3.22Å; Y714-Y743 HydrophobicContact CD2-CE1 4.03Å; Y714-Y743 AromaticContact CD2-CZ 3.94Å; Y714-Y743 WeakPolarHBondContact CD2-OH 3.31Å; Y714-Y743 HydrophobicContact CE2-CE1 4.35Å; Y714-C817 VanDerWaalsContact OH-CA 3.28Å; Y714-C817 WeakPolarHBondContact OH-CA 3.34Å; Y714-C817 WeakPolarHBondContact OH-CB 3.36Å; Y714-C817 PolarHBondContact OH-O 3.22Å; Y714-R820 HydrophobicContact CE1-CB 4.14Å; Y714-R820 HydrophobicContact CE1-CG 4.31Å; Y714-L821 HydrophobicContact CD1-CD2 3.95Å; Y714-L821 HydrophobicContact CE1-CD2 4.21Å; Y714-L821 HydrophobicContact CE1-CG 4.49Å; Y714-F824 HydrophobicContact CD1-CD2 4.15Å; Y714-F824 AromaticContact CD1-CE2 3.51Å; Y714-F824 HydrophobicContact CD1-CE2 3.51Å; Y714-F824 HydrophobicContact CD1-CZ 4.31Å; Y714-F824 HydrophobicContact CE1-CE2 4.05Å; Y714-F824 HydrophobicContact CG-CE2 4.03Å; Y714-F824 HydrophobicContact CG-CZ 4.41Å |
| 715 | I | 93.1 | Very high | 91.3 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 38% | 0.379 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63 | -46.4 | 171 | -68.1 | 166 | 0 | 0 | 0 | 110.1 | V711 L712 F717 L718 C719 | V711-I715 HydrophobicContact CG1-CD1 3.87Å; V711-I715 WeakPolarHBondContact O-CG1 3.41Å; V711-I715 PolarHBondContact O-N 3.44Å; L712-I715 PolarHBondContact O-N 3.07Å; I715-F717 VanDerWaalsContact C-N 3.33Å; I715-F717 PolarHBondContact O-N 3.32Å; I715-L718 PolarHBondContact O-N 3.27Å; I715-L718 VanDerWaalsContact O-N 3.14Å; I715-C719 PolarHBondContact O-N 2.95Å; I715-C719 PolarHBondContact O-SG 3.09Å |
| 716 | V | 92.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 38 Ų | 38 | 39% | 0.394 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60 | -42.1 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | L712 S713 C719 F720 | L712-V716 WeakPolarHBondContact O-CG2 3.33Å; L712-V716 PolarHBondContact O-N 3.37Å; S713-V716 PolarHBondContact O-N 3.3Å; V716-C719 PolarHBondContact O-N 3.18Å; V716-F720 HydrophobicContact CG1-CD2 3.95Å; V716-F720 HydrophobicContact CG1-CE2 3.56Å; V716-F720 HydrophobicContact CG1-CZ 4.11Å; V716-F720 PolarHBondContact O-N 2.68Å |
| 717 | F | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 172.3 | 165.6 | -89.3 | 0 | 0 | 0 | 112.2 | S713 Y714 I715 F720 F721 Y739 L740 Y743 C817 | S713-F717 WeakPolarHBondContact O-CB 3.3Å; S713-F717 PolarHBondContact O-N 2.75Å; Y714-F717 HydrophobicContact CD2-CB 4.35Å; Y714-F717 AromaticContact CD2-CD1 3.66Å; Y714-F717 HydrophobicContact CD2-CD1 3.66Å; Y714-F717 HydrophobicContact CD2-CE1 4.34Å; Y714-F717 HydrophobicContact CD2-CG 4.24Å; Y714-F717 AromaticContact CE2-CD1 3.38Å; Y714-F717 HydrophobicContact CE2-CD1 3.38Å; Y714-F717 AromaticContact CE2-CE1 3.61Å; Y714-F717 HydrophobicContact CE2-CE1 3.61Å; Y714-F717 HydrophobicContact CE2-CG 4.3Å; Y714-F717 WeakPolarHBondContact O-CB 3.45Å; Y714-F717 PolarHBondContact O-N 2.73Å; I715-F717 VanDerWaalsContact C-N 3.33Å; I715-F717 PolarHBondContact O-N 3.32Å; F717-F720 PolarHBondContact O-N 3.42Å; F717-F721 HydrophobicContact CE1-CD1 4.13Å; F717-F721 HydrophobicContact CZ-CD1 4.01Å; F717-F721 WeakPolarHBondContact O-CB 3.24Å; F717-F721 PolarHBondContact O-N 3.25Å; F717-Y739 HydrophobicContact CB-CE1 4.45Å; F717-L740 HydrophobicContact CD2-CD2 3.53Å; F717-L740 HydrophobicContact CE2-CB 4.32Å; F717-L740 HydrophobicContact CE2-CD2 3.65Å; F717-L740 HydrophobicContact CG-CD2 4.31Å; F717-L740 HydrophobicContact CZ-CD2 4.49Å; F717-Y743 HydrophobicContact CB-CD1 4.43Å; F717-Y743 HydrophobicContact CB-CD2 4.17Å; F717-Y743 HydrophobicContact CB-CE1 4.34Å; F717-Y743 HydrophobicContact CB-CE2 4.06Å; F717-Y743 HydrophobicContact CB-CG 4.38Å; F717-Y743 HydrophobicContact CD1-CE1 4.44Å; F717-Y743 AromaticContact CD2-CD1 3.34Å; F717-Y743 HydrophobicContact CD2-CD1 3.34Å; F717-Y743 HydrophobicContact CD2-CD2 4.13Å; F717-Y743 AromaticContact CD2-CE1 3.9Å; F717-Y743 HydrophobicContact CD2-CE1 3.9Å; F717-Y743 AromaticContact CD2-CG 3.5Å; F717-Y743 HydrophobicContact CD2-CG 3.5Å; F717-Y743 AromaticContact CE2-CD1 3.65Å; F717-Y743 HydrophobicContact CE2-CD1 3.65Å; F717-Y743 HydrophobicContact CE2-CE1 4.33Å; F717-Y743 HydrophobicContact CE2-CG 4.12Å; F717-Y743 AromaticContact CG-CD1 3.89Å; F717-Y743 HydrophobicContact CG-CD1 3.89Å; F717-Y743 HydrophobicContact CG-CD2 4.45Å; F717-Y743 AromaticContact CG-CE1 3.97Å; F717-Y743 HydrophobicContact CG-CE1 3.97Å; F717-Y743 HydrophobicContact CG-CG 4.18Å; F717-Y743 HydrophobicContact CZ-CD1 4.42Å; F717-C817 HydrophobicContact CE1-CB 4.23Å |
| 718 | L | 93.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.7 | -73.1 | 172.9 | 0 | 0 | 0 | 112.3 | Y714 I715 F721 T722 C817 L821 | Y714-L718 HydrophobicContact CD1-CD1 4.09Å; Y714-L718 HydrophobicContact CD1-CG 4.49Å; Y714-L718 HydrophobicContact CE1-CD1 3.94Å; Y714-L718 HydrophobicContact CE1-CG 4.26Å; Y714-L718 WeakPolarHBondContact O-CG 3.35Å; Y714-L718 PolarHBondContact O-N 3.22Å; I715-L718 PolarHBondContact O-N 3.27Å; I715-L718 VanDerWaalsContact O-N 3.14Å; L718-F721 PolarHBondContact O-N 3.17Å; L718-T722 WeakPolarHBondContact O-CB 3.15Å; L718-T722 PolarHBondContact O-N 3.07Å; L718-T722 PolarHBondContact O-OG1 2.79Å; L718-C817 HydrophobicContact CD2-CB 3.64Å; L718-L821 HydrophobicContact CD1-CD1 3.76Å; L718-L821 HydrophobicContact CD1-CD2 3.72Å; L718-L821 HydrophobicContact CD1-CG 3.76Å |
| 719 | C | 93.6 | Very high | 90 | Very high | 77 Ų | 77 | 50 Ų | 50 | 52% | 0.52 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 175.7 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | I715 V716 T722 Y723 | I715-C719 PolarHBondContact O-N 2.95Å; I715-C719 PolarHBondContact O-SG 3.09Å; V716-C719 PolarHBondContact O-N 3.18Å; C719-T722 PolarHBondContact O-N 3.39Å; C719-Y723 WeakPolarHBondContact O-CB 3.29Å; C719-Y723 PolarHBondContact O-N 3.12Å |
| 720 | F | 92.8 | Very high | 89.4 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | 176.6 | -67.7 | -31 | 0 | 0 | 0 | 113 | V716 F717 Y723 I724 T736 Y739 L740 | V716-F720 HydrophobicContact CG1-CD2 3.95Å; V716-F720 HydrophobicContact CG1-CE2 3.56Å; V716-F720 HydrophobicContact CG1-CZ 4.11Å; V716-F720 PolarHBondContact O-N 2.68Å; F717-F720 PolarHBondContact O-N 3.42Å; F720-Y723 PolarHBondContact O-N 3.17Å; F720-I724 WeakPolarHBondContact O-CD1 3.43Å; F720-I724 WeakPolarHBondContact O-CG1 3.26Å; F720-I724 PolarHBondContact O-N 2.68Å; F720-I724 VanDerWaalsContact O-N 3.08Å; F720-T736 HydrophobicContact CD1-CG2 4.27Å; F720-Y739 AromaticContact CD2-CD1 3.69Å; F720-Y739 HydrophobicContact CD2-CD1 3.69Å; F720-Y739 AromaticContact CD2-CE1 3.78Å; F720-Y739 HydrophobicContact CD2-CE1 3.78Å; F720-Y739 HydrophobicContact CD2-CG 4.27Å; F720-Y739 HydrophobicContact CE2-CD1 4.28Å; F720-Y739 HydrophobicContact CE2-CE1 4.26Å; F720-L740 HydrophobicContact CB-CD2 4.24Å |
| 721 | F | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 176.3 | -161.6 | -175 | 0 | 0 | 0 | 111.6 | F717 L718 Y723 I724 V725 L740 F790 Y810 N813 I814 C817 | F717-F721 HydrophobicContact CE1-CD1 4.13Å; F717-F721 HydrophobicContact CZ-CD1 4.01Å; F717-F721 WeakPolarHBondContact O-CB 3.24Å; F717-F721 PolarHBondContact O-N 3.25Å; L718-F721 PolarHBondContact O-N 3.17Å; F721-Y723 PolarHBondContact O-N 3.29Å; F721-I724 PolarHBondContact O-N 3.13Å; F721-V725 HydrophobicContact CD2-CG2 3.81Å; F721-V725 HydrophobicContact CE2-CG2 3.75Å; F721-V725 WeakPolarHBondContact O-CG2 3.45Å; F721-V725 PolarHBondContact O-N 3.3Å; F721-L740 HydrophobicContact CB-CD1 3.95Å; F721-L740 HydrophobicContact CB-CD2 3.99Å; F721-L740 HydrophobicContact CD2-CD1 3.62Å; F721-L740 HydrophobicContact CE2-CD1 4.31Å; F721-L740 HydrophobicContact CG-CD1 3.88Å; F721-F790 HydrophobicContact CE1-CD2 4.41Å; F721-F790 HydrophobicContact CE2-CE2 4.33Å; F721-F790 HydrophobicContact CZ-CD2 4.07Å; F721-F790 HydrophobicContact CZ-CE2 4.09Å; F721-Y810 HydrophobicContact CE2-CD1 4.31Å; F721-Y810 HydrophobicContact CE2-CG 4.23Å; F721-Y810 HydrophobicContact CZ-CD1 4.48Å; F721-N813 WeakPolarHBondContact CE1-OD1 3.42Å; F721-N813 HydrophobicContact CZ-CB 4.17Å; F721-I814 HydrophobicContact CB-CD1 4Å; F721-I814 HydrophobicContact CB-CG1 4.45Å; F721-I814 HydrophobicContact CD1-CB 3.86Å; F721-I814 HydrophobicContact CD1-CD1 4.14Å; F721-I814 HydrophobicContact CD1-CG1 3.74Å; F721-I814 HydrophobicContact CD2-CB 4.45Å; F721-I814 HydrophobicContact CD2-CD1 4.27Å; F721-I814 HydrophobicContact CE1-CB 3.69Å; F721-I814 HydrophobicContact CE1-CG1 4.11Å; F721-I814 HydrophobicContact CE2-CB 4.31Å; F721-I814 HydrophobicContact CG-CB 4.25Å; F721-I814 HydrophobicContact CG-CD1 3.86Å; F721-I814 HydrophobicContact CG-CG1 4Å; F721-I814 HydrophobicContact CZ-CB 3.93Å; F721-C817 HydrophobicContact CD1-CB 4.5Å |
| 722 | T | 93.5 | Very high | 88 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | L718 C719 I724 V725 A726 Y818 | L718-T722 WeakPolarHBondContact O-CB 3.15Å; L718-T722 PolarHBondContact O-N 3.07Å; L718-T722 PolarHBondContact O-OG1 2.79Å; C719-T722 PolarHBondContact O-N 3.39Å; T722-I724 VanDerWaalsContact C-N 3.33Å; T722-I724 PolarHBondContact O-N 3.23Å; T722-V725 PolarHBondContact O-N 2.9Å; T722-A726 VanDerWaalsContact O-CB 3.24Å; T722-A726 WeakPolarHBondContact O-CB 3.42Å; T722-A726 PolarHBondContact O-N 3.11Å; T722-Y818 PolarHBondContact OG1-OH 3.12Å |
| 723 | Y | 91.2 | Very high | 87.6 | Confident | 122 Ų | 122 | 60.8 Ų | 60.8 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 174.4 | 175.4 | -101.4 | 0 | 0 | 0 | 112.4 | C719 F720 F721 M727 | C719-Y723 WeakPolarHBondContact O-CB 3.29Å; C719-Y723 PolarHBondContact O-N 3.12Å; F720-Y723 PolarHBondContact O-N 3.17Å; F721-Y723 PolarHBondContact O-N 3.29Å; Y723-M727 HydrophobicContact CD2-CG 3.94Å; Y723-M727 HydrophobicContact CE2-CE 4.35Å; Y723-M727 HydrophobicContact CE2-CG 3.81Å; Y723-M727 VanDerWaalsContact O-CB 3.28Å; Y723-M727 WeakPolarHBondContact O-CB 3.28Å; Y723-M727 WeakPolarHBondContact O-CG 3.24Å; Y723-M727 PolarHBondContact O-N 3Å; Y723-M727 VanDerWaalsContact O-N 3.16Å |
| 724 | I | 88.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 179.7 | -73.7 | 161.7 | 0 | 0 | 0 | 112.8 | F720 F721 T722 L729 E737 L740 | F720-I724 WeakPolarHBondContact O-CD1 3.43Å; F720-I724 WeakPolarHBondContact O-CG1 3.26Å; F720-I724 PolarHBondContact O-N 2.68Å; F720-I724 VanDerWaalsContact O-N 3.08Å; F721-I724 PolarHBondContact O-N 3.13Å; T722-I724 VanDerWaalsContact C-N 3.33Å; T722-I724 PolarHBondContact O-N 3.23Å; I724-L729 HydrophobicContact CG2-CD1 3.87Å; I724-E737 HydrophobicContact CD1-CB 3.88Å; I724-E737 HydrophobicContact CD1-CG 4.44Å; I724-L740 HydrophobicContact CD1-CD1 3.57Å; I724-L740 HydrophobicContact CD1-CG 4.1Å |
| 725 | V | 88.9 | Confident | 86.9 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 18% | 0.176 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -78.9 | -40.4 | -178.9 | 174 | 0 | 0 | 0 | 0 | 112 | F721 T722 R807 A811 I814 | F721-V725 HydrophobicContact CD2-CG2 3.81Å; F721-V725 HydrophobicContact CE2-CG2 3.75Å; F721-V725 WeakPolarHBondContact O-CG2 3.45Å; F721-V725 PolarHBondContact O-N 3.3Å; T722-V725 PolarHBondContact O-N 2.9Å; V725-R807 PolarHBondContact O-NH2 3.07Å; V725-A811 HydrophobicContact CG1-CB 4.18Å; V725-I814 HydrophobicContact CG1-CG2 4.35Å; V725-I814 HydrophobicContact CG2-CB 4.45Å; V725-I814 HydrophobicContact CG2-CD1 4.28Å; V725-I814 HydrophobicContact CG2-CG2 4.21Å |
| 726 | A | 87.5 | Confident | 86.7 | Confident | 76 Ų | 76 | 73 Ų | 73 | 63% | 0.628 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.3 | -40.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T722 | T722-A726 VanDerWaalsContact O-CB 3.24Å; T722-A726 WeakPolarHBondContact O-CB 3.42Å; T722-A726 PolarHBondContact O-N 3.11Å |
| 727 | M | 84.5 | Confident | 86.5 | Confident | 103 Ų | 103 | 70 Ų | 70 | 51% | 0.507 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -77 | 165.8 | -179.4 | -62.1 | -63.8 | -88.9 | 0 | 0 | 112.4 | Y723 L729 | Y723-M727 HydrophobicContact CD2-CG 3.94Å; Y723-M727 HydrophobicContact CE2-CE 4.35Å; Y723-M727 HydrophobicContact CE2-CG 3.81Å; Y723-M727 VanDerWaalsContact O-CB 3.28Å; Y723-M727 WeakPolarHBondContact O-CB 3.28Å; Y723-M727 WeakPolarHBondContact O-CG 3.24Å; Y723-M727 PolarHBondContact O-N 3Å; Y723-M727 VanDerWaalsContact O-N 3.16Å; M727-L729 PolarHBondContact O-N 3.09Å |
| 728 | K | 75.5 | Confident | 86.3 | Confident | 192 Ų | 192 | 75.6 Ų | 75.6 | 84% | 0.835 | 38% | 0.378 | S | S | * | . | trans | -69.4 | 112.2 | 177.1 | -170.5 | 175.3 | -177.6 | 178.4 | 0 | 109.9 | Q730 | K728-Q730 PolarHBondContact O-N 3.42Å; K728-Q730 VanDerWaalsContact O-N 3.17Å | ||
| 729 | L | 79.1 | Confident | 86.2 | Confident | 27 Ų | 27 | 77.8 Ų | 77.8 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | trans | -62.2 | 114.3 | -178.2 | -156 | 71.3 | 0 | 0 | 0 | 110.6 | I724 M727 L803 R807 | I724-L729 HydrophobicContact CG2-CD1 3.87Å; M727-L729 PolarHBondContact O-N 3.09Å; L729-L803 HydrophobicContact CD2-CD1 4.13Å; L729-R807 HydrophobicContact CD2-CB 4Å; L729-R807 HydrophobicContact CD2-CG 4.2Å | ||
| 730 | Q | 76.8 | Confident | 86.1 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | trans | -72.1 | 154 | 174.5 | -69.2 | -179.7 | -18 | 0 | 0 | 110.8 | K728 T732 R797 | K728-Q730 PolarHBondContact O-N 3.42Å; K728-Q730 VanDerWaalsContact O-N 3.17Å; Q730-T732 PolarHBondContact O-N 3.03Å; Q730-R797 PolarHBondContact O-NH2 3.16Å | ||
| 731 | P | 73.5 | Confident | 86.1 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 66% | 0.662 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -66.7 | -37.4 | -179 | 25.2 | -33.5 | 0 | 0 | 0 | 112.7 | ||
| 732 | T | 80 | Confident | 86 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 60% | 0.595 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -84.2 | 148.8 | 174.3 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | Q730 R797 | Q730-T732 PolarHBondContact O-N 3.03Å; T732-R797 PolarHBondContact O-NH2 3.06Å |
| 733 | P | 82.3 | Confident | 86 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 21% | 0.214 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 122.9 | 177.9 | 29.2 | -33.2 | 0 | 0 | 0 | 112 | E737 W738 | P733-E737 VanDerWaalsContact CA-OE2 3.28Å; P733-E737 WeakPolarHBondContact CA-OE2 3.48Å; P733-E737 WeakPolarHBondContact CB-OE2 3.38Å; P733-W738 HydrophobicContact CB-CZ2 4.34Å; P733-W738 HydrophobicContact CG-CZ2 3.65Å; P733-W738 PolarHBondContact O-NE1 2.67Å |
| 734 | F | 83.8 | Confident | 86 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 164.5 | -179.3 | -166.7 | -105.3 | 0 | 0 | 0 | 112.2 | T736 E737 W738 | F734-T736 HydrophobicContact CD1-CG2 4.32Å; F734-T736 PolarHBondContact O-N 2.96Å; F734-T736 VanDerWaalsContact O-N 3.12Å; F734-E737 WeakPolarHBondContact O-CB 3.26Å; F734-E737 PolarHBondContact O-N 3.34Å; F734-W738 PolarHBondContact O-N 3.38Å |
| 735 | R | 87 | Confident | 86.1 | Confident | 212 Ų | 212 | 69.4 Ų | 69.4 | 80% | 0.8 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.8 | -35.5 | -176.6 | -63.5 | -177 | -177.1 | 172.7 | 1.6 | 113.8 | E737 Y739 | R735-E737 VanDerWaalsContact C-N 3.3Å; R735-E737 PolarHBondContact O-N 2.8Å; R735-Y739 PolarHBondContact O-N 3.29Å |
| 736 | T | 87.8 | Confident | 86.2 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -26.3 | 177.2 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | F720 F734 Y739 L740 | F720-T736 HydrophobicContact CD1-CG2 4.27Å; F734-T736 HydrophobicContact CD1-CG2 4.32Å; F734-T736 PolarHBondContact O-N 2.96Å; F734-T736 VanDerWaalsContact O-N 3.12Å; T736-Y739 WeakPolarHBondContact O-CB 3.22Å; T736-L740 PolarHBondContact O-N 2.86Å |
| 737 | E | 88.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -82.9 | -37.3 | 179.7 | -170 | -178.9 | -168.2 | 0 | 0 | 111.7 | I724 P733 F734 R735 Y739 L740 L741 F794 R797 Y810 | I724-E737 HydrophobicContact CD1-CB 3.88Å; I724-E737 HydrophobicContact CD1-CG 4.44Å; P733-E737 VanDerWaalsContact CA-OE2 3.28Å; P733-E737 WeakPolarHBondContact CA-OE2 3.48Å; P733-E737 WeakPolarHBondContact CB-OE2 3.38Å; F734-E737 WeakPolarHBondContact O-CB 3.26Å; F734-E737 PolarHBondContact O-N 3.34Å; R735-E737 VanDerWaalsContact C-N 3.3Å; R735-E737 PolarHBondContact O-N 2.8Å; E737-Y739 PolarHBondContact O-N 2.97Å; E737-L740 WeakPolarHBondContact O-CA 3.34Å; E737-L740 WeakPolarHBondContact O-CB 3.46Å; E737-L740 PolarHBondContact O-N 3.48Å; E737-L741 PolarHBondContact O-N 3.42Å; E737-F794 HydrophobicContact CG-CD2 4.33Å; E737-F794 HydrophobicContact CG-CE2 4.07Å; E737-R797 WeakPolarHBondContact OE1-CD 3.44Å; E737-R797 IonicContact OE1-CZ 2.88Å; E737-R797 IonicContact OE1-NE 2.69Å; E737-R797 IonicContact OE1-NH1 3.79Å; E737-R797 PolarHBondContact OE1-NH1 3.07Å; E737-R797 IonicContact OE2-CZ 3.57Å; E737-R797 IonicContact OE2-NE 2.69Å; E737-R797 PolarHBondContact OE2-NE 2.68Å; E737-R797 IonicContact OE2-NH1 3.95Å; E737-R797 PolarHBondContact OE2-NH1 3.2Å; E737-R797 IonicContact OE2-NH2 2.74Å; E737-R797 PolarHBondContact OE2-NH2 3.5Å; E737-Y810 VanDerWaalsContact OE1-CE2 3.28Å; E737-Y810 WeakPolarHBondContact OE1-CE2 3.5Å; E737-Y810 PolarHBondContact OE1-OH 3.35Å |
| 738 | W | 89.8 | Confident | 86.3 | Confident | 116 Ų | 116 | 61.6 Ų | 61.6 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.5 | -35.5 | 168 | -70.4 | 106.8 | 0 | 0 | 0 | 111.7 | P733 F734 L741 V742 F794 | P733-W738 HydrophobicContact CB-CZ2 4.34Å; P733-W738 HydrophobicContact CG-CZ2 3.65Å; P733-W738 PolarHBondContact O-NE1 2.67Å; F734-W738 PolarHBondContact O-N 3.38Å; W738-L741 HydrophobicContact CE3-CD2 3.77Å; W738-L741 HydrophobicContact CZ3-CD2 3.66Å; W738-L741 PolarHBondContact O-N 3.26Å; W738-V742 VanDerWaalsContact O-CG2 3.32Å; W738-V742 WeakPolarHBondContact O-CG2 3.42Å; W738-V742 PolarHBondContact O-N 2.93Å; W738-F794 HydrophobicContact CE3-CZ 4.26Å; W738-F794 HydrophobicContact CH2-CZ 4.11Å; W738-F794 HydrophobicContact CZ3-CE1 4.49Å; W738-F794 AromaticContact CZ3-CZ 3.93Å; W738-F794 HydrophobicContact CZ3-CZ 3.93Å |
| 739 | Y | 92.6 | Very high | 86.7 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 169.8 | 175.2 | -83.8 | 0 | 0 | 0 | 112.4 | F717 F720 R735 T736 E737 L741 V742 Y743 P961 | F717-Y739 HydrophobicContact CB-CE1 4.45Å; F720-Y739 AromaticContact CD2-CD1 3.69Å; F720-Y739 HydrophobicContact CD2-CD1 3.69Å; F720-Y739 AromaticContact CD2-CE1 3.78Å; F720-Y739 HydrophobicContact CD2-CE1 3.78Å; F720-Y739 HydrophobicContact CD2-CG 4.27Å; F720-Y739 HydrophobicContact CE2-CD1 4.28Å; F720-Y739 HydrophobicContact CE2-CE1 4.26Å; R735-Y739 PolarHBondContact O-N 3.29Å; T736-Y739 WeakPolarHBondContact O-CB 3.22Å; E737-Y739 PolarHBondContact O-N 2.97Å; Y739-L741 PolarHBondContact O-N 3.42Å; Y739-V742 PolarHBondContact O-N 3.5Å; Y739-Y743 HydrophobicContact CE1-CD2 4.41Å; Y739-Y743 VanDerWaalsContact O-CB 3.31Å; Y739-Y743 WeakPolarHBondContact O-CB 3.33Å; Y739-Y743 PolarHBondContact O-N 3.42Å; Y739-P961 HydrophobicContact CD2-CG 4.25Å; Y739-P961 HydrophobicContact CE2-CG 3.7Å |
| 740 | L | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.6 | -59.4 | -176.2 | 0 | 0 | 0 | 112.3 | F717 F720 F721 I724 T736 E737 Y743 N744 F790 | F717-L740 HydrophobicContact CD2-CD2 3.53Å; F717-L740 HydrophobicContact CE2-CB 4.32Å; F717-L740 HydrophobicContact CE2-CD2 3.65Å; F717-L740 HydrophobicContact CG-CD2 4.31Å; F717-L740 HydrophobicContact CZ-CD2 4.49Å; F720-L740 HydrophobicContact CB-CD2 4.24Å; F721-L740 HydrophobicContact CB-CD1 3.95Å; F721-L740 HydrophobicContact CB-CD2 3.99Å; F721-L740 HydrophobicContact CD2-CD1 3.62Å; F721-L740 HydrophobicContact CE2-CD1 4.31Å; F721-L740 HydrophobicContact CG-CD1 3.88Å; I724-L740 HydrophobicContact CD1-CD1 3.57Å; I724-L740 HydrophobicContact CD1-CG 4.1Å; T736-L740 PolarHBondContact O-N 2.86Å; E737-L740 WeakPolarHBondContact O-CA 3.34Å; E737-L740 WeakPolarHBondContact O-CB 3.46Å; E737-L740 PolarHBondContact O-N 3.48Å; L740-Y743 PolarHBondContact O-N 3.48Å; L740-N744 PolarHBondContact O-N 3.2Å; L740-N744 PolarHBondContact O-ND2 3.37Å; L740-F790 HydrophobicContact CB-CE2 4.17Å; L740-F790 HydrophobicContact CB-CZ 3.7Å; L740-F790 HydrophobicContact CD1-CE2 4.32Å; L740-F790 HydrophobicContact CD1-CZ 4.49Å |
| 741 | L | 91.7 | Very high | 86.9 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -52 | 176.6 | -177.5 | 73.2 | 0 | 0 | 0 | 110.9 | E737 W738 Y739 Y743 N744 I745 F790 L791 F794 | E737-L741 PolarHBondContact O-N 3.42Å; W738-L741 HydrophobicContact CE3-CD2 3.77Å; W738-L741 HydrophobicContact CZ3-CD2 3.66Å; W738-L741 PolarHBondContact O-N 3.26Å; Y739-L741 PolarHBondContact O-N 3.42Å; L741-Y743 VanDerWaalsContact C-N 3.29Å; L741-Y743 PolarHBondContact O-N 3.28Å; L741-N744 PolarHBondContact O-N 2.97Å; L741-I745 HydrophobicContact CD1-CD1 3.93Å; L741-I745 HydrophobicContact CD1-CG1 4.33Å; L741-I745 HydrophobicContact CD2-CD1 4.24Å; L741-I745 HydrophobicContact CG-CD1 3.75Å; L741-I745 HydrophobicContact CG-CG1 4.39Å; L741-I745 WeakPolarHBondContact O-CB 3.27Å; L741-I745 WeakPolarHBondContact O-CG1 3.5Å; L741-I745 PolarHBondContact O-N 3.27Å; L741-F790 HydrophobicContact CD1-CE1 4.29Å; L741-L791 HydrophobicContact CD1-CD2 3.89Å; L741-F794 HydrophobicContact CB-CD2 4.43Å; L741-F794 HydrophobicContact CB-CE2 4.13Å; L741-F794 HydrophobicContact CB-CZ 4.41Å; L741-F794 HydrophobicContact CD1-CD1 3.83Å; L741-F794 HydrophobicContact CD1-CD2 4.12Å; L741-F794 HydrophobicContact CD1-CE1 4.01Å; L741-F794 HydrophobicContact CD1-CE2 4.33Å; L741-F794 HydrophobicContact CD1-CG 3.91Å; L741-F794 HydrophobicContact CD1-CZ 4.29Å; L741-F794 HydrophobicContact CD2-CD1 4.4Å; L741-F794 HydrophobicContact CD2-CE1 3.72Å; L741-F794 HydrophobicContact CD2-CE2 4.21Å; L741-F794 HydrophobicContact CD2-CZ 3.65Å; L741-F794 HydrophobicContact CG-CE1 4.4Å; L741-F794 HydrophobicContact CG-CE2 4.44Å; L741-F794 HydrophobicContact CG-CZ 4.32Å |
| 742 | V | 92.2 | Very high | 87 | Confident | 66 Ų | 66 | 51 Ų | 51 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | W738 Y739 T746 P961 | W738-V742 VanDerWaalsContact O-CG2 3.32Å; W738-V742 WeakPolarHBondContact O-CG2 3.42Å; W738-V742 PolarHBondContact O-N 2.93Å; Y739-V742 PolarHBondContact O-N 3.5Å; V742-T746 VanDerWaalsContact O-CB 3.28Å; V742-T746 WeakPolarHBondContact O-CB 3.43Å; V742-T746 PolarHBondContact O-N 2.77Å; V742-T746 PolarHBondContact O-OG1 3.02Å; V742-P961 HydrophobicContact CG1-CB 3.76Å |
| 743 | Y | 93 | Very high | 86.9 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -51.5 | 175 | -170.4 | -81.4 | 0 | 0 | 0 | 111.7 | Y714 F717 Y739 L740 L741 T746 R747 P960 | Y714-Y743 HydrophobicContact CD2-CE1 4.03Å; Y714-Y743 AromaticContact CD2-CZ 3.94Å; Y714-Y743 WeakPolarHBondContact CD2-OH 3.31Å; Y714-Y743 HydrophobicContact CE2-CE1 4.35Å; F717-Y743 HydrophobicContact CB-CD1 4.43Å; F717-Y743 HydrophobicContact CB-CD2 4.17Å; F717-Y743 HydrophobicContact CB-CE1 4.34Å; F717-Y743 HydrophobicContact CB-CE2 4.06Å; F717-Y743 HydrophobicContact CB-CG 4.38Å; F717-Y743 HydrophobicContact CD1-CE1 4.44Å; F717-Y743 AromaticContact CD2-CD1 3.34Å; F717-Y743 HydrophobicContact CD2-CD1 3.34Å; F717-Y743 HydrophobicContact CD2-CD2 4.13Å; F717-Y743 AromaticContact CD2-CE1 3.9Å; F717-Y743 HydrophobicContact CD2-CE1 3.9Å; F717-Y743 AromaticContact CD2-CG 3.5Å; F717-Y743 HydrophobicContact CD2-CG 3.5Å; F717-Y743 AromaticContact CE2-CD1 3.65Å; F717-Y743 HydrophobicContact CE2-CD1 3.65Å; F717-Y743 HydrophobicContact CE2-CE1 4.33Å; F717-Y743 HydrophobicContact CE2-CG 4.12Å; F717-Y743 AromaticContact CG-CD1 3.89Å; F717-Y743 HydrophobicContact CG-CD1 3.89Å; F717-Y743 HydrophobicContact CG-CD2 4.45Å; F717-Y743 AromaticContact CG-CE1 3.97Å; F717-Y743 HydrophobicContact CG-CE1 3.97Å; F717-Y743 HydrophobicContact CG-CG 4.18Å; F717-Y743 HydrophobicContact CZ-CD1 4.42Å; Y739-Y743 HydrophobicContact CE1-CD2 4.41Å; Y739-Y743 VanDerWaalsContact O-CB 3.31Å; Y739-Y743 WeakPolarHBondContact O-CB 3.33Å; Y739-Y743 PolarHBondContact O-N 3.42Å; L740-Y743 PolarHBondContact O-N 3.48Å; L741-Y743 VanDerWaalsContact C-N 3.29Å; L741-Y743 PolarHBondContact O-N 3.28Å; Y743-T746 PolarHBondContact O-N 2.84Å; Y743-R747 VanDerWaalsContact O-CB 3.28Å; Y743-R747 WeakPolarHBondContact O-CB 3.42Å; Y743-R747 PolarHBondContact O-N 2.94Å; Y743-P960 HydrophobicContact CD2-CB 3.93Å; Y743-P960 HydrophobicContact CE2-CB 3.78Å; Y743-P960 WeakPolarHBondContact CE2-O 3.27Å; Y743-P960 HydrophobicContact CG-CB 4.37Å |
| 744 | N | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | -178.1 | -79.9 | -43.4 | 0 | 0 | 0 | 113.2 | L740 L741 R747 G748 F790 | L740-N744 PolarHBondContact O-N 3.2Å; L740-N744 PolarHBondContact O-ND2 3.37Å; L741-N744 PolarHBondContact O-N 2.97Å; N744-R747 PolarHBondContact O-N 3.43Å; N744-G748 PolarHBondContact O-N 2.89Å; N744-F790 HydrophobicContact CB-CD1 4Å; N744-F790 HydrophobicContact CB-CE1 4.28Å; N744-F790 VanDerWaalsContact ND2-CD1 3.31Å; N744-F790 WeakPolarHBondContact ND2-CD1 3.4Å; N744-F790 WeakPolarHBondContact ND2-CD2 3.37Å; N744-F790 WeakPolarHBondContact ND2-CE1 3.5Å; N744-F790 VanDerWaalsContact ND2-CG 3.28Å; N744-F790 WeakPolarHBondContact ND2-CG 3.33Å |
| 745 | I | 90.8 | Very high | 85.7 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 174 | -69.9 | 175.9 | 0 | 0 | 0 | 110.3 | L741 R747 G748 L749 L791 | L741-I745 HydrophobicContact CD1-CD1 3.93Å; L741-I745 HydrophobicContact CD1-CG1 4.33Å; L741-I745 HydrophobicContact CD2-CD1 4.24Å; L741-I745 HydrophobicContact CG-CD1 3.75Å; L741-I745 HydrophobicContact CG-CG1 4.39Å; L741-I745 WeakPolarHBondContact O-CB 3.27Å; L741-I745 WeakPolarHBondContact O-CG1 3.5Å; L741-I745 PolarHBondContact O-N 3.27Å; I745-R747 VanDerWaalsContact C-N 3.33Å; I745-R747 PolarHBondContact O-N 3.32Å; I745-G748 WeakPolarHBondContact O-CA 3.27Å; I745-G748 PolarHBondContact O-N 2.84Å; I745-G748 VanDerWaalsContact O-N 3.1Å; I745-L749 HydrophobicContact CG2-CD1 4.26Å; I745-L749 WeakPolarHBondContact O-CG 3.29Å; I745-L749 PolarHBondContact O-N 3.31Å; I745-L791 HydrophobicContact CG1-CD2 4.21Å |
| 746 | T | 90.8 | Very high | 84.7 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | -177.2 | -46.7 | 0 | 0 | 0 | 0 | 111.6 | V742 Y743 G748 L749 D750 T963 A964 | V742-T746 VanDerWaalsContact O-CB 3.28Å; V742-T746 WeakPolarHBondContact O-CB 3.43Å; V742-T746 PolarHBondContact O-N 2.77Å; V742-T746 PolarHBondContact O-OG1 3.02Å; Y743-T746 PolarHBondContact O-N 2.84Å; T746-G748 VanDerWaalsContact C-N 3.34Å; T746-G748 PolarHBondContact O-N 2.89Å; T746-L749 PolarHBondContact O-N 3.36Å; T746-D750 PolarHBondContact O-N 2.98Å; T746-T963 WeakPolarHBondContact CG2-OG1 3.46Å; T746-A964 HydrophobicContact CG2-CB 3.99Å; T746-A964 VanDerWaalsContact CG2-N 3.32Å |
| 747 | R | 86.7 | Confident | 83.4 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 171.3 | -174.4 | -177.1 | 179.3 | -167.6 | 2.3 | 112.2 | Y743 N744 I745 D750 M751 D783 I787 | Y743-R747 VanDerWaalsContact O-CB 3.28Å; Y743-R747 WeakPolarHBondContact O-CB 3.42Å; Y743-R747 PolarHBondContact O-N 2.94Å; N744-R747 PolarHBondContact O-N 3.43Å; I745-R747 VanDerWaalsContact C-N 3.33Å; I745-R747 PolarHBondContact O-N 3.32Å; R747-D750 PolarHBondContact O-N 3.29Å; R747-M751 PolarHBondContact O-N 2.92Å; R747-M751 VanDerWaalsContact O-N 3.08Å; R747-D783 IonicContact CZ-OD1 2.75Å; R747-D783 IonicContact CZ-OD2 3.21Å; R747-D783 IonicContact NE-OD2 3.07Å; R747-D783 IonicContact NH2-OD1 3.69Å; R747-D783 PolarHBondContact NH2-OD1 3.42Å; R747-D783 IonicContact NH2-OD2 2.76Å; R747-D783 PolarHBondContact NH2-OD2 3.47Å; R747-I787 HydrophobicContact CB-CD1 4.37Å; R747-I787 HydrophobicContact CG-CD1 4.07Å |
| 748 | G | 86.6 | Confident | 81.8 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N744 I745 T746 M751 L752 | N744-G748 PolarHBondContact O-N 2.89Å; I745-G748 WeakPolarHBondContact O-CA 3.27Å; I745-G748 PolarHBondContact O-N 2.84Å; I745-G748 VanDerWaalsContact O-N 3.1Å; T746-G748 VanDerWaalsContact C-N 3.34Å; T746-G748 PolarHBondContact O-N 2.89Å; G748-M751 PolarHBondContact O-N 3.2Å; G748-L752 PolarHBondContact O-N 3.14Å |
| 749 | L | 84.5 | Confident | 79.6 | Confident | 82 Ų | 82 | 48 Ų | 48 | 43% | 0.429 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 174.7 | -67.4 | 173.5 | 0 | 0 | 0 | 112.6 | I745 T746 L752 R753 | I745-L749 HydrophobicContact CG2-CD1 4.26Å; I745-L749 WeakPolarHBondContact O-CG 3.29Å; I745-L749 PolarHBondContact O-N 3.31Å; T746-L749 PolarHBondContact O-N 3.36Å; L749-L752 HydrophobicContact CD2-CD1 4.42Å; L749-L752 PolarHBondContact O-N 3.42Å; L749-R753 WeakPolarHBondContact O-CB 3.43Å; L749-R753 PolarHBondContact O-N 2.87Å |
| 750 | D | 80 | Confident | 77.4 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 171.7 | -91.5 | -55.2 | 0 | 0 | 0 | 112.7 | T746 R747 R753 L754 T963 H967 | T746-D750 PolarHBondContact O-N 2.98Å; R747-D750 PolarHBondContact O-N 3.29Å; D750-R753 WeakPolarHBondContact O-CB 3.42Å; D750-R753 PolarHBondContact O-N 3.22Å; D750-R753 IonicContact OD1-CZ 2.69Å; D750-R753 IonicContact OD1-NE 3.73Å; D750-R753 IonicContact OD1-NH1 2.84Å; D750-R753 PolarHBondContact OD1-NH1 2.97Å; D750-L754 WeakPolarHBondContact O-CB 3.48Å; D750-L754 WeakPolarHBondContact O-CD1 3.32Å; D750-L754 PolarHBondContact O-N 3.4Å; D750-T963 VanDerWaalsContact OD2-CB 3.23Å; D750-T963 WeakPolarHBondContact OD2-CB 3.35Å; D750-T963 PolarHBondContact OD2-OG1 3.35Å; D750-H967 VanDerWaalsContact CG-CE1 3.44Å; D750-H967 IonicContact OD1-CE1 3.42Å; D750-H967 PolarHBondContact OD1-CE1 3.37Å; D750-H967 IonicContact OD1-NE2 3.42Å; D750-H967 PolarHBondContact OD1-NE2 2.86Å; D750-H967 IonicContact OD2-CE1 2.8Å; D750-H967 IonicContact OD2-NE2 3.23Å; D750-H967 PolarHBondContact OD2-NE2 2.89Å |
| 751 | M | 79.9 | Confident | 74.7 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 172 | -74.1 | -150.5 | 150.2 | 0 | 0 | 112.7 | R747 G748 R753 L754 V755 F774 D783 | R747-M751 PolarHBondContact O-N 2.92Å; R747-M751 VanDerWaalsContact O-N 3.08Å; G748-M751 PolarHBondContact O-N 3.2Å; M751-R753 VanDerWaalsContact C-N 3.3Å; M751-R753 PolarHBondContact O-N 3.39Å; M751-L754 WeakPolarHBondContact O-CB 3.47Å; M751-L754 PolarHBondContact O-N 3.23Å; M751-V755 WeakPolarHBondContact O-CG2 3.34Å; M751-V755 PolarHBondContact O-N 2.89Å; M751-F774 HydrophobicContact CB-CZ 4.08Å; M751-F774 HydrophobicContact CE-CZ 4.37Å; M751-F774 HydrophobicContact CG-CZ 4.23Å; M751-F774 HydrophobicContact SD-CE1 4.34Å; M751-F774 HydrophobicContact SD-CZ 3.91Å; M751-D783 HydrophobicContact CE-CB 3.54Å; M751-D783 WeakPolarHBondContact CE-OD2 3.33Å; M751-D783 HydrophobicContact SD-CB 3.79Å |
| 752 | L | 76.5 | Confident | 72.2 | Confident | 98 Ų | 98 | 58.4 Ų | 58.4 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 174.2 | -74.1 | 164.3 | 0 | 0 | 0 | 112.1 | G748 L749 V755 R756 | G748-L752 PolarHBondContact O-N 3.14Å; L749-L752 HydrophobicContact CD2-CD1 4.42Å; L749-L752 PolarHBondContact O-N 3.42Å; L752-V755 PolarHBondContact O-N 3.16Å; L752-R756 WeakPolarHBondContact O-CB 3.48Å; L752-R756 PolarHBondContact O-N 3.5Å |
| 753 | R | 77.6 | Confident | 69.8 | Low | 29 Ų | 29 | 58.2 Ų | 58.2 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 171.1 | 167.6 | -172.4 | 164.2 | -164.6 | 0.6 | 112 | L749 D750 M751 R756 R757 W966 | L749-R753 WeakPolarHBondContact O-CB 3.43Å; L749-R753 PolarHBondContact O-N 2.87Å; D750-R753 WeakPolarHBondContact O-CB 3.42Å; D750-R753 PolarHBondContact O-N 3.22Å; D750-R753 IonicContact OD1-CZ 2.69Å; D750-R753 IonicContact OD1-NE 3.73Å; D750-R753 IonicContact OD1-NH1 2.84Å; D750-R753 PolarHBondContact OD1-NH1 2.97Å; M751-R753 VanDerWaalsContact C-N 3.3Å; M751-R753 PolarHBondContact O-N 3.39Å; R753-R756 PolarHBondContact O-N 2.85Å; R753-R757 HydrophobicContact CG-CG 4.36Å; R753-R757 VanDerWaalsContact O-CB 3.26Å; R753-R757 WeakPolarHBondContact O-CB 3.32Å; R753-R757 VanDerWaalsContact O-CG 3.29Å; R753-R757 WeakPolarHBondContact O-CG 3.39Å; R753-R757 PolarHBondContact O-N 3.07Å; R753-W966 VanDerWaalsContact NH1-CD1 3.34Å |
| 754 | L | 68.8 | Low | 67.5 | Low | 72 Ų | 72 | 67.4 Ų | 67.4 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.6 | -87 | 154.4 | 0 | 0 | 0 | 112.2 | D750 M751 R758 F774 | D750-L754 WeakPolarHBondContact O-CB 3.48Å; D750-L754 WeakPolarHBondContact O-CD1 3.32Å; D750-L754 PolarHBondContact O-N 3.4Å; M751-L754 WeakPolarHBondContact O-CB 3.47Å; M751-L754 PolarHBondContact O-N 3.23Å; L754-R758 PolarHBondContact O-N 3.49Å; L754-F774 HydrophobicContact CB-CE2 4.38Å |
| 755 | V | 70.7 | Confident | 65.6 | Low | 12 Ų | 12 | 70.8 Ų | 70.8 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -51.9 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | M751 L752 R757 R758 F771 F774 | M751-V755 WeakPolarHBondContact O-CG2 3.34Å; M751-V755 PolarHBondContact O-N 2.89Å; L752-V755 PolarHBondContact O-N 3.16Å; V755-R757 VanDerWaalsContact C-N 3.32Å; V755-R757 PolarHBondContact O-N 3.06Å; V755-R758 PolarHBondContact O-N 3.44Å; V755-F771 HydrophobicContact CG1-CD2 3.78Å; V755-F771 HydrophobicContact CG1-CE2 3.75Å; V755-F774 HydrophobicContact CG2-CB 3.99Å; V755-F774 HydrophobicContact CG2-CD1 3.67Å; V755-F774 HydrophobicContact CG2-CD2 3.5Å; V755-F774 VanDerWaalsContact CG2-CD2 3.5Å; V755-F774 HydrophobicContact CG2-CE1 3.92Å; V755-F774 HydrophobicContact CG2-CE2 3.78Å; V755-F774 HydrophobicContact CG2-CG 3.44Å; V755-F774 VanDerWaalsContact CG2-CG 3.44Å; V755-F774 HydrophobicContact CG2-CZ 3.98Å |
| 756 | R | 66.1 | Low | 63.9 | Low | 171 Ų | 171 | 72.3 Ų | 72.3 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.3 | -29.5 | -175.8 | -169.1 | 175.8 | 179.8 | 104.3 | -1.7 | 113.4 | L752 R753 | L752-R756 WeakPolarHBondContact O-CB 3.48Å; L752-R756 PolarHBondContact O-N 3.5Å; R753-R756 PolarHBondContact O-N 2.85Å |
| 757 | R | 60.2 | Low | 62.6 | Low | 99 Ų | 99 | 77 Ų | 77 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -80.9 | -17.8 | -179 | -78.8 | -176.7 | 174.4 | -137.7 | -5.7 | 114.9 | R753 V755 C759 | R753-R757 HydrophobicContact CG-CG 4.36Å; R753-R757 VanDerWaalsContact O-CB 3.26Å; R753-R757 WeakPolarHBondContact O-CB 3.32Å; R753-R757 VanDerWaalsContact O-CG 3.29Å; R753-R757 WeakPolarHBondContact O-CG 3.39Å; R753-R757 PolarHBondContact O-N 3.07Å; V755-R757 VanDerWaalsContact C-N 3.32Å; V755-R757 PolarHBondContact O-N 3.06Å; R757-C759 PolarHBondContact O-N 3.4Å |
| 758 | R | 55.2 | Low | 61.7 | Low | 101 Ų | 101 | 82.8 Ų | 82.8 | 38% | 0.381 | 40% | 0.401 | S | S | . | . | trans | -79.6 | 39.9 | 171.4 | -155.1 | -171.8 | -61.4 | 159.1 | 4.2 | 112 | L754 V755 E760 L773 | L754-R758 PolarHBondContact O-N 3.49Å; V755-R758 PolarHBondContact O-N 3.44Å; R758-E760 WeakPolarHBondContact CG-OE2 3.47Å; R758-L773 PolarHBondContact NH1-O 2.77Å | ||
| 759 | C | 44.9 | Very low | 60.5 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 34% | 0.338 | 41% | 0.409 | S | S | . | . | trans | -103.4 | 66.6 | 176.4 | -166.3 | 0 | 0 | 0 | 0 | 108.6 | F619 R757 | F619-C759 VanDerWaalsContact CZ-O 3.29Å; F619-C759 WeakPolarHBondContact CZ-O 3.29Å; R757-C759 PolarHBondContact O-N 3.4Å | ||
| 760 | E | 45.1 | Very low | 59.5 | Low | 23 Ų | 23 | 83.5 Ų | 83.5 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | trans | -72.2 | 159.2 | -175.4 | -75.3 | 151.4 | 98 | 0 | 0 | 112.2 | N431 F616 R758 G762 | N431-E760 HydrophobicContact CB-CB 4.36Å; N431-E760 PolarHBondContact ND2-OE1 2.9Å; N431-E760 PolarHBondContact ND2-OE2 3.05Å; N431-E760 WeakPolarHBondContact OD1-CB 3.49Å; F616-E760 HydrophobicContact CE1-CG 4.14Å; F616-E760 VanDerWaalsContact CZ-CD 3.45Å; F616-E760 HydrophobicContact CZ-CG 4.24Å; F616-E760 VanDerWaalsContact CZ-OE1 3.29Å; F616-E760 WeakPolarHBondContact CZ-OE1 3.34Å; R758-E760 WeakPolarHBondContact CG-OE2 3.47Å; E760-G762 PolarHBondContact O-N 3.47Å | ||
| 761 | R | 35.8 | Very low | 59.1 | Low | 203 Ų | 203 | 85.9 Ų | 85.9 | 77% | 0.766 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 119.3 | -171.1 | -82.3 | 175.3 | 162.7 | 163.4 | -6.8 | 112 | ||
| 762 | G | 40.1 | Very low | 58.8 | Low | 66 Ų | 66 | 88 Ų | 88 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 138.8 | -25.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | E760 | E760-G762 PolarHBondContact O-N 3.47Š|
| 763 | T | 41 | Very low | 58.3 | Low | 62 Ų | 62 | 87.4 Ų | 87.4 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | trans | -118.5 | 127.9 | -169.2 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | F765 | T763-F765 HydrophobicContact CG2-CD2 4.44Å; T763-F765 HydrophobicContact CG2-CE2 4.02Å; T763-F765 PolarHBondContact O-N 3.25Å; T763-F765 VanDerWaalsContact OG1-CD2 3.25Å; T763-F765 WeakPolarHBondContact OG1-CD2 3.39Å; T763-F765 WeakPolarHBondContact OG1-CE2 3.31Å | ||
| 764 | H | 45.7 | Very low | 58.2 | Low | 197 Ų | 197 | 86.5 Ų | 86.5 | 91% | 0.912 | 42% | 0.415 | S | S | * | . | trans | -77.2 | 52.6 | 175.5 | -84.5 | -110.5 | 0 | 0 | 0 | 112.1 | N766 | H764-N766 PolarHBondContact O-N 2.9Š| ||
| 765 | F | 49.9 | Very low | 58.7 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 31% | 0.311 | 41% | 0.413 | S | S | . | . | trans | -67.3 | 128.1 | 173.6 | -80.6 | -61.7 | 0 | 0 | 0 | 111.2 | T430 T763 E769 K770 | T430-F765 HydrophobicContact CG2-CE2 4.23Å; T430-F765 HydrophobicContact CG2-CZ 4.48Å; T763-F765 HydrophobicContact CG2-CD2 4.44Å; T763-F765 HydrophobicContact CG2-CE2 4.02Å; T763-F765 PolarHBondContact O-N 3.25Å; T763-F765 VanDerWaalsContact OG1-CD2 3.25Å; T763-F765 WeakPolarHBondContact OG1-CD2 3.39Å; T763-F765 WeakPolarHBondContact OG1-CE2 3.31Å; F765-E769 HydrophobicContact CD1-CB 4.48Å; F765-E769 VanDerWaalsContact CD1-OE2 3.28Å; F765-E769 WeakPolarHBondContact CD1-OE2 3.27Å; F765-K770 HydrophobicContact CB-CD 4.46Å; F765-K770 HydrophobicContact CB-CG 4.35Å; F765-K770 WeakPolarHBondContact O-CE 3.48Å; F765-K770 PolarHBondContact O-NZ 2.95Å | ||
| 766 | N | 56.7 | Low | 59 | Low | 108 Ų | 108 | 90.8 Ų | 90.8 | 58% | 0.578 | 44% | 0.441 | S | S | * | . | trans | -62 | 156.9 | 175.9 | -66 | -60.4 | 0 | 0 | 0 | 111.2 | H764 H768 E769 K770 | H764-N766 PolarHBondContact O-N 2.9Å; N766-H768 PolarHBondContact O-N 3.44Å; N766-E769 WeakPolarHBondContact CB-OE1 3.25Å; N766-E769 PolarHBondContact N-OE1 2.97Å; N766-E769 PolarHBondContact ND2-OE1 3.42Å; N766-E769 VanDerWaalsContact ND2-OE1 3.13Å; N766-E769 PolarHBondContact O-N 3.03Å; N766-K770 PolarHBondContact O-N 3.35Å | ||
| 767 | F | 62 | Low | 59.5 | Low | 103 Ų | 103 | 87.4 Ų | 87.4 | 45% | 0.452 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.2 | -35.3 | 179.3 | -170.2 | -121.3 | 0 | 0 | 0 | 112.3 | K770 F771 W1027 | F767-K770 PolarHBondContact O-N 3.39Å; F767-F771 HydrophobicContact CD1-CD2 4.3Å; F767-F771 AromaticContact CE1-CD2 3.87Å; F767-F771 HydrophobicContact CE1-CD2 3.87Å; F767-F771 AromaticContact CE1-CE2 3.67Å; F767-F771 HydrophobicContact CE1-CE2 3.67Å; F767-F771 HydrophobicContact CE1-CZ 4.49Å; F767-F771 HydrophobicContact CE2-CD2 4.12Å; F767-F771 AromaticContact CE2-CE2 3.97Å; F767-F771 HydrophobicContact CE2-CE2 3.97Å; F767-F771 AromaticContact CZ-CD2 3.79Å; F767-F771 HydrophobicContact CZ-CD2 3.79Å; F767-F771 AromaticContact CZ-CE2 3.35Å; F767-F771 HydrophobicContact CZ-CE2 3.35Å; F767-F771 HydrophobicContact CZ-CZ 4.34Å; F767-F771 PolarHBondContact O-N 3.22Å; F767-F771 VanDerWaalsContact O-N 3.08Å; F767-W1027 HydrophobicContact CB-CH2 3.94Å; F767-W1027 HydrophobicContact CB-CZ3 4.34Å; F767-W1027 AromaticContact CD2-CH2 3.61Å; F767-W1027 HydrophobicContact CD2-CH2 3.61Å; F767-W1027 HydrophobicContact CD2-CZ3 4.16Å; F767-W1027 HydrophobicContact CE2-CH2 4.35Å; F767-W1027 AromaticContact CG-CH2 3.99Å; F767-W1027 HydrophobicContact CG-CH2 3.99Å; F767-W1027 HydrophobicContact CG-CZ3 4.28Å |
| 768 | H | 68.6 | Low | 60.6 | Low | 144 Ų | 144 | 88.1 Ų | 88.1 | 67% | 0.667 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.9 | -51.2 | 179.3 | -168.6 | -92.4 | 0 | 0 | 0 | 112.5 | N766 K770 F771 T772 | N766-H768 PolarHBondContact O-N 3.44Å; H768-K770 VanDerWaalsContact C-N 3.3Å; H768-K770 PolarHBondContact O-N 2.95Å; H768-F771 CarbonylContact O-C 3.55Å; H768-F771 WeakPolarHBondContact O-CA 3.45Å; H768-F771 WeakPolarHBondContact O-CB 3.38Å; H768-F771 PolarHBondContact O-N 2.92Å; H768-T772 PolarHBondContact O-N 3.35Å; H768-T772 PolarHBondContact O-OG1 3.46Å; H768-T772 VanDerWaalsContact O-OG1 3.07Å |
| 769 | E | 61.7 | Low | 62 | Low | 74 Ų | 74 | 85 Ų | 85 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | -179.1 | -65.1 | 165.4 | -102 | 0 | 0 | 112.2 | F765 N766 F771 T772 L773 | F765-E769 HydrophobicContact CD1-CB 4.48Å; F765-E769 VanDerWaalsContact CD1-OE2 3.28Å; F765-E769 WeakPolarHBondContact CD1-OE2 3.27Å; N766-E769 WeakPolarHBondContact CB-OE1 3.25Å; N766-E769 PolarHBondContact N-OE1 2.97Å; N766-E769 PolarHBondContact ND2-OE1 3.42Å; N766-E769 VanDerWaalsContact ND2-OE1 3.13Å; N766-E769 PolarHBondContact O-N 3.03Å; E769-F771 VanDerWaalsContact C-N 3.29Å; E769-F771 PolarHBondContact O-N 2.92Å; E769-T772 PolarHBondContact O-N 3.06Å; E769-L773 WeakPolarHBondContact O-CB 3.33Å; E769-L773 VanDerWaalsContact O-CG 3.32Å; E769-L773 WeakPolarHBondContact O-CG 3.43Å; E769-L773 PolarHBondContact O-N 2.91Å |
| 770 | K | 63.2 | Low | 63.9 | Low | 40 Ų | 40 | 83.9 Ų | 83.9 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 172.3 | -71.5 | 163.5 | 172.2 | 152.4 | 0 | 111.9 | F765 N766 F767 H768 F774 | F765-K770 HydrophobicContact CB-CD 4.46Å; F765-K770 HydrophobicContact CB-CG 4.35Å; F765-K770 WeakPolarHBondContact O-CE 3.48Å; F765-K770 PolarHBondContact O-NZ 2.95Å; N766-K770 PolarHBondContact O-N 3.35Å; F767-K770 PolarHBondContact O-N 3.39Å; H768-K770 VanDerWaalsContact C-N 3.3Å; H768-K770 PolarHBondContact O-N 2.95Å; K770-F774 PolarHBondContact O-N 3.47Å |
| 771 | F | 71.6 | Confident | 65.9 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 25% | 0.254 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.3 | -46.4 | 173.7 | -111.8 | -106.4 | 0 | 0 | 0 | 112 | V755 F767 H768 E769 L773 F774 F775 | V755-F771 HydrophobicContact CG1-CD2 3.78Å; V755-F771 HydrophobicContact CG1-CE2 3.75Å; F767-F771 HydrophobicContact CD1-CD2 4.3Å; F767-F771 AromaticContact CE1-CD2 3.87Å; F767-F771 HydrophobicContact CE1-CD2 3.87Å; F767-F771 AromaticContact CE1-CE2 3.67Å; F767-F771 HydrophobicContact CE1-CE2 3.67Å; F767-F771 HydrophobicContact CE1-CZ 4.49Å; F767-F771 HydrophobicContact CE2-CD2 4.12Å; F767-F771 AromaticContact CE2-CE2 3.97Å; F767-F771 HydrophobicContact CE2-CE2 3.97Å; F767-F771 AromaticContact CZ-CD2 3.79Å; F767-F771 HydrophobicContact CZ-CD2 3.79Å; F767-F771 AromaticContact CZ-CE2 3.35Å; F767-F771 HydrophobicContact CZ-CE2 3.35Å; F767-F771 HydrophobicContact CZ-CZ 4.34Å; F767-F771 PolarHBondContact O-N 3.22Å; F767-F771 VanDerWaalsContact O-N 3.08Å; H768-F771 CarbonylContact O-C 3.55Å; H768-F771 WeakPolarHBondContact O-CA 3.45Å; H768-F771 WeakPolarHBondContact O-CB 3.38Å; H768-F771 PolarHBondContact O-N 2.92Å; E769-F771 VanDerWaalsContact C-N 3.29Å; E769-F771 PolarHBondContact O-N 2.92Å; F771-L773 PolarHBondContact O-N 3.24Å; F771-F774 WeakPolarHBondContact O-CB 3.47Å; F771-F774 PolarHBondContact O-N 2.91Å; F771-F774 VanDerWaalsContact O-N 3.11Å; F771-F775 HydrophobicContact CD1-CD2 4.2Å; F771-F775 AromaticContact CD1-CE2 3.55Å; F771-F775 HydrophobicContact CD1-CE2 3.55Å; F771-F775 HydrophobicContact CD1-CZ 4.32Å; F771-F775 AromaticContact CE1-CE2 3.84Å; F771-F775 HydrophobicContact CE1-CE2 3.84Å; F771-F775 HydrophobicContact CE1-CZ 4.19Å; F771-F775 PolarHBondContact O-N 3.46Å |
| 772 | T | 72.9 | Confident | 68.5 | Low | 67 Ų | 67 | 76 Ų | 76 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.5 | -52.3 | 175 | -46.3 | 0 | 0 | 0 | 0 | 110.9 | H768 E769 F774 F775 C776 | H768-T772 PolarHBondContact O-N 3.35Å; H768-T772 PolarHBondContact O-OG1 3.46Å; H768-T772 VanDerWaalsContact O-OG1 3.07Å; E769-T772 PolarHBondContact O-N 3.06Å; T772-F774 PolarHBondContact O-N 3.43Å; T772-F774 VanDerWaalsContact O-N 3.14Å; T772-F775 PolarHBondContact O-N 2.87Å; T772-C776 PolarHBondContact O-N 3.42Å; T772-C776 PolarHBondContact O-SG 3.33Å |
| 773 | L | 67.5 | Low | 70.9 | Confident | 86 Ų | 86 | 73 Ų | 73 | 45% | 0.45 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -15.6 | 178 | -70.4 | 171.8 | 0 | 0 | 0 | 114.4 | R758 E769 F771 | R758-L773 PolarHBondContact NH1-O 2.77Å; E769-L773 WeakPolarHBondContact O-CB 3.33Å; E769-L773 VanDerWaalsContact O-CG 3.32Å; E769-L773 WeakPolarHBondContact O-CG 3.43Å; E769-L773 PolarHBondContact O-N 2.91Å; F771-L773 PolarHBondContact O-N 3.24Å |
| 774 | F | 74.9 | Confident | 73.2 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -82 | -45 | 169.9 | -179.2 | -101.4 | 0 | 0 | 0 | 111.4 | M751 L754 V755 K770 F771 T772 K777 N780 | M751-F774 HydrophobicContact CB-CZ 4.08Å; M751-F774 HydrophobicContact CE-CZ 4.37Å; M751-F774 HydrophobicContact CG-CZ 4.23Å; M751-F774 HydrophobicContact SD-CE1 4.34Å; M751-F774 HydrophobicContact SD-CZ 3.91Å; L754-F774 HydrophobicContact CB-CE2 4.38Å; V755-F774 HydrophobicContact CG2-CB 3.99Å; V755-F774 HydrophobicContact CG2-CD1 3.67Å; V755-F774 HydrophobicContact CG2-CD2 3.5Å; V755-F774 VanDerWaalsContact CG2-CD2 3.5Å; V755-F774 HydrophobicContact CG2-CE1 3.92Å; V755-F774 HydrophobicContact CG2-CE2 3.78Å; V755-F774 HydrophobicContact CG2-CG 3.44Å; V755-F774 VanDerWaalsContact CG2-CG 3.44Å; V755-F774 HydrophobicContact CG2-CZ 3.98Å; K770-F774 PolarHBondContact O-N 3.47Å; F771-F774 WeakPolarHBondContact O-CB 3.47Å; F771-F774 PolarHBondContact O-N 2.91Å; F771-F774 VanDerWaalsContact O-N 3.11Å; T772-F774 PolarHBondContact O-N 3.43Å; T772-F774 VanDerWaalsContact O-N 3.14Å; F774-K777 PolarHBondContact O-N 3.2Å; F774-N780 HydrophobicContact CD1-CB 4.01Å; F774-N780 WeakPolarHBondContact CD2-ND2 3.36Å; F774-N780 HydrophobicContact CE1-CB 3.64Å; F774-N780 HydrophobicContact CE2-CB 4.23Å; F774-N780 VanDerWaalsContact CE2-ND2 3.3Å; F774-N780 WeakPolarHBondContact CE2-ND2 3.47Å; F774-N780 HydrophobicContact CG-CB 4.46Å; F774-N780 HydrophobicContact CZ-CB 3.76Å; F774-N780 WeakPolarHBondContact O-CB 3.43Å; F774-N780 PolarHBondContact O-ND2 3.19Å |
| 775 | F | 79.9 | Confident | 75.4 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.9 | -20.7 | -178.6 | -71.6 | -47.7 | 0 | 0 | 0 | 114.8 | F771 T772 K777 A781 T784 | F771-F775 HydrophobicContact CD1-CD2 4.2Å; F771-F775 AromaticContact CD1-CE2 3.55Å; F771-F775 HydrophobicContact CD1-CE2 3.55Å; F771-F775 HydrophobicContact CD1-CZ 4.32Å; F771-F775 AromaticContact CE1-CE2 3.84Å; F771-F775 HydrophobicContact CE1-CE2 3.84Å; F771-F775 HydrophobicContact CE1-CZ 4.19Å; F771-F775 PolarHBondContact O-N 3.46Å; T772-F775 PolarHBondContact O-N 2.87Å; F775-K777 PolarHBondContact O-N 3.38Å; F775-A781 HydrophobicContact CD1-CB 4.15Å; F775-T784 HydrophobicContact CE1-CG2 3.98Å; F775-T784 WeakPolarHBondContact CE1-OG1 3.48Å; F775-T784 HydrophobicContact CZ-CG2 4.08Å |
| 776 | C | 75.6 | Confident | 77.5 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 66% | 0.655 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21 | 168.7 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | T772 F778 | T772-C776 PolarHBondContact O-N 3.42Å; T772-C776 PolarHBondContact O-SG 3.33Å; C776-F778 PolarHBondContact O-N 3.43Å |
| 777 | K | 76.1 | Confident | 79.2 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85 | 107.6 | 170.2 | -71.7 | -158.7 | 172.7 | -159.7 | 0 | 110 | F774 F775 W779 N780 A781 D947 | F774-K777 PolarHBondContact O-N 3.2Å; F775-K777 PolarHBondContact O-N 3.38Å; K777-W779 VanDerWaalsContact C-N 3.31Å; K777-W779 PolarHBondContact O-N 3.49Å; K777-N780 HydrophobicContact CB-CB 4.41Å; K777-N780 VanDerWaalsContact O-CB 3.3Å; K777-N780 WeakPolarHBondContact O-CB 3.42Å; K777-N780 PolarHBondContact O-N 3.16Å; K777-A781 PolarHBondContact O-N 3.26Å; K777-D947 IonicContact NZ-OD2 2.75Å; K777-D947 PolarHBondContact NZ-OD2 3.06Å; K777-D947 VanDerWaalsContact NZ-OD2 3.16Å |
| 778 | F | 83.7 | Confident | 80.7 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 50% | 0.496 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -32.2 | -55.5 | 176.9 | 177.3 | -96.4 | 0 | 0 | 0 | 115.1 | C776 N780 A781 Y782 | C776-F778 PolarHBondContact O-N 3.43Å; F778-N780 VanDerWaalsContact C-N 3.27Å; F778-N780 PolarHBondContact O-N 3.38Å; F778-A781 PolarHBondContact O-N 3.13Å; F778-Y782 HydrophobicContact CE1-CD2 4.46Å; F778-Y782 HydrophobicContact CZ-CD2 4.31Å; F778-Y782 VanDerWaalsContact O-CB 3.31Å; F778-Y782 WeakPolarHBondContact O-CB 3.36Å; F778-Y782 PolarHBondContact O-N 3.5Å |
| 779 | W | 84.3 | Confident | 81.9 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -22.8 | -177.2 | -70.3 | 124 | 0 | 0 | 0 | 114.9 | K777 Y782 D783 D823 | K777-W779 VanDerWaalsContact C-N 3.31Å; K777-W779 PolarHBondContact O-N 3.49Å; W779-Y782 AromaticContact CE3-CD1 3.94Å; W779-Y782 HydrophobicContact CE3-CD1 3.94Å; W779-Y782 HydrophobicContact CE3-CE1 4.48Å; W779-Y782 HydrophobicContact CE3-CG 4.17Å; W779-Y782 HydrophobicContact CZ3-CD1 4.03Å; W779-Y782 HydrophobicContact CZ3-CE1 4.11Å; W779-Y782 HydrophobicContact CZ3-CG 4.41Å; W779-D783 WeakPolarHBondContact O-CB 3.48Å; W779-D783 VanDerWaalsContact O-CG 3.31Å; W779-D783 PolarHBondContact O-N 2.96Å; W779-D823 HydrophobicContact CD2-CB 4.21Å; W779-D823 VanDerWaalsContact CE2-OD1 3.3Å; W779-D823 HydrophobicContact CH2-CB 4.15Å; W779-D823 HydrophobicContact CZ2-CB 3.74Å; W779-D823 PolarHBondContact NE1-OD1 3.25Å |
| 780 | N | 85.2 | Confident | 83.4 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.9 | -43.7 | 175.7 | -67.5 | -8.1 | 0 | 0 | 0 | 111.4 | F774 K777 F778 T784 | F774-N780 HydrophobicContact CD1-CB 4.01Å; F774-N780 WeakPolarHBondContact CD2-ND2 3.36Å; F774-N780 HydrophobicContact CE1-CB 3.64Å; F774-N780 HydrophobicContact CE2-CB 4.23Å; F774-N780 VanDerWaalsContact CE2-ND2 3.3Å; F774-N780 WeakPolarHBondContact CE2-ND2 3.47Å; F774-N780 HydrophobicContact CG-CB 4.46Å; F774-N780 HydrophobicContact CZ-CB 3.76Å; F774-N780 WeakPolarHBondContact O-CB 3.43Å; F774-N780 PolarHBondContact O-ND2 3.19Å; K777-N780 HydrophobicContact CB-CB 4.41Å; K777-N780 VanDerWaalsContact O-CB 3.3Å; K777-N780 WeakPolarHBondContact O-CB 3.42Å; K777-N780 PolarHBondContact O-N 3.16Å; F778-N780 VanDerWaalsContact C-N 3.27Å; F778-N780 PolarHBondContact O-N 3.38Å; N780-T784 WeakPolarHBondContact O-CB 3.45Å; N780-T784 PolarHBondContact O-N 3.08Å; N780-T784 VanDerWaalsContact O-N 3.15Å; N780-T784 PolarHBondContact O-OG1 3.35Å |
| 781 | A | 87.9 | Confident | 84.9 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F775 K777 F778 T784 I785 | F775-A781 HydrophobicContact CD1-CB 4.15Å; K777-A781 PolarHBondContact O-N 3.26Å; F778-A781 PolarHBondContact O-N 3.13Å; A781-T784 PolarHBondContact O-N 2.85Å; A781-I785 WeakPolarHBondContact O-CG1 3.06Å; A781-I785 PolarHBondContact O-N 3.37Å |
| 782 | Y | 91.1 | Very high | 85.9 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.8 | -54.9 | 175.4 | -171.5 | -91.8 | 0 | 0 | 0 | 112.7 | F778 W779 T784 I785 V786 F816 V819 R820 | F778-Y782 HydrophobicContact CE1-CD2 4.46Å; F778-Y782 HydrophobicContact CZ-CD2 4.31Å; F778-Y782 VanDerWaalsContact O-CB 3.31Å; F778-Y782 WeakPolarHBondContact O-CB 3.36Å; F778-Y782 PolarHBondContact O-N 3.5Å; W779-Y782 AromaticContact CE3-CD1 3.94Å; W779-Y782 HydrophobicContact CE3-CD1 3.94Å; W779-Y782 HydrophobicContact CE3-CE1 4.48Å; W779-Y782 HydrophobicContact CE3-CG 4.17Å; W779-Y782 HydrophobicContact CZ3-CD1 4.03Å; W779-Y782 HydrophobicContact CZ3-CE1 4.11Å; W779-Y782 HydrophobicContact CZ3-CG 4.41Å; Y782-T784 PolarHBondContact O-N 2.8Å; Y782-I785 PolarHBondContact O-N 3.04Å; Y782-V786 HydrophobicContact CD1-CG2 4.13Å; Y782-V786 HydrophobicContact CE1-CG2 3.88Å; Y782-V786 WeakPolarHBondContact O-CG2 3.23Å; Y782-V786 PolarHBondContact O-N 3.24Å; Y782-F816 HydrophobicContact CE2-CD1 4.25Å; Y782-F816 VanDerWaalsContact OH-CA 3.28Å; Y782-F816 WeakPolarHBondContact OH-CA 3.3Å; Y782-F816 WeakPolarHBondContact OH-CB 3.38Å; Y782-F816 PolarHBondContact OH-O 2.9Å; Y782-V819 WeakPolarHBondContact OH-CB 3.45Å; Y782-V819 WeakPolarHBondContact OH-CG1 3.28Å; Y782-R820 HydrophobicContact CE1-CB 4.43Å |
| 783 | D | 89.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 179.6 | -82.9 | 2.7 | 0 | 0 | 0 | 112.7 | R747 M751 W779 V786 I787 R820 | R747-D783 IonicContact CZ-OD1 2.75Å; R747-D783 IonicContact CZ-OD2 3.21Å; R747-D783 IonicContact NE-OD2 3.07Å; R747-D783 IonicContact NH2-OD1 3.69Å; R747-D783 PolarHBondContact NH2-OD1 3.42Å; R747-D783 IonicContact NH2-OD2 2.76Å; R747-D783 PolarHBondContact NH2-OD2 3.47Å; M751-D783 HydrophobicContact CE-CB 3.54Å; M751-D783 WeakPolarHBondContact CE-OD2 3.33Å; M751-D783 HydrophobicContact SD-CB 3.79Å; W779-D783 WeakPolarHBondContact O-CB 3.48Å; W779-D783 VanDerWaalsContact O-CG 3.31Å; W779-D783 PolarHBondContact O-N 2.96Å; D783-V786 PolarHBondContact O-N 3.18Å; D783-I787 WeakPolarHBondContact O-CB 2.95Å; D783-I787 WeakPolarHBondContact O-CD1 3.3Å; D783-I787 VanDerWaalsContact O-CG1 3.23Å; D783-I787 WeakPolarHBondContact O-CG1 3.5Å; D783-I787 PolarHBondContact O-N 2.95Å; D783-R820 VanDerWaalsContact CG-NE 3.34Å; D783-R820 WeakPolarHBondContact OD1-CD 3.48Å; D783-R820 IonicContact OD1-CZ 3.2Å; D783-R820 IonicContact OD1-NE 4Å; D783-R820 PolarHBondContact OD1-NE 3.11Å; D783-R820 IonicContact OD1-NH2 2.67Å; D783-R820 IonicContact OD2-CZ 3.54Å; D783-R820 IonicContact OD2-NE 2.81Å; D783-R820 PolarHBondContact OD2-NE 3Å; D783-R820 IonicContact OD2-NH2 3.14Å; D783-R820 PolarHBondContact OD2-NH2 3.42Å |
| 784 | T | 90 | Very high | 87.9 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.6 | -42.4 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | F775 N780 A781 Y782 I787 I788 | F775-T784 HydrophobicContact CE1-CG2 3.98Å; F775-T784 WeakPolarHBondContact CE1-OG1 3.48Å; F775-T784 HydrophobicContact CZ-CG2 4.08Å; N780-T784 WeakPolarHBondContact O-CB 3.45Å; N780-T784 PolarHBondContact O-N 3.08Å; N780-T784 VanDerWaalsContact O-N 3.15Å; N780-T784 PolarHBondContact O-OG1 3.35Å; A781-T784 PolarHBondContact O-N 2.85Å; Y782-T784 PolarHBondContact O-N 2.8Å; T784-I787 PolarHBondContact O-N 3.3Å; T784-I788 HydrophobicContact CG2-CD1 3.82Å; T784-I788 HydrophobicContact CG2-CG1 4.49Å; T784-I788 WeakPolarHBondContact O-CB 3.46Å; T784-I788 VanDerWaalsContact O-CG1 3.26Å; T784-I788 WeakPolarHBondContact O-CG1 3.41Å; T784-I788 PolarHBondContact O-N 3.12Å |
| 785 | I | 92.1 | Very high | 88.6 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 55% | 0.554 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 174.8 | -66.1 | 163 | 0 | 0 | 0 | 110.9 | A781 Y782 I788 T789 | A781-I785 WeakPolarHBondContact O-CG1 3.06Å; A781-I785 PolarHBondContact O-N 3.37Å; Y782-I785 PolarHBondContact O-N 3.04Å; I785-I788 PolarHBondContact O-N 3.09Å; I785-T789 HydrophobicContact CG2-CG2 4.46Å; I785-T789 WeakPolarHBondContact O-CB 3.3Å; I785-T789 WeakPolarHBondContact O-CG2 3.49Å; I785-T789 PolarHBondContact O-N 3Å; I785-T789 PolarHBondContact O-OG1 3.21Å |
| 786 | V | 93.6 | Very high | 89 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | Y782 D783 T789 F790 N813 F816 | Y782-V786 HydrophobicContact CD1-CG2 4.13Å; Y782-V786 HydrophobicContact CE1-CG2 3.88Å; Y782-V786 WeakPolarHBondContact O-CG2 3.23Å; Y782-V786 PolarHBondContact O-N 3.24Å; D783-V786 PolarHBondContact O-N 3.18Å; V786-T789 PolarHBondContact O-OG1 2.81Å; V786-F790 VanDerWaalsContact O-CB 3.31Å; V786-F790 WeakPolarHBondContact O-CB 3.43Å; V786-F790 PolarHBondContact O-N 3.49Å; V786-N813 PolarHBondContact O-ND2 3.15Å; V786-F816 HydrophobicContact CG2-CB 3.63Å; V786-F816 HydrophobicContact CG2-CG 4.41Å |
| 787 | I | 92.5 | Very high | 89.4 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.2 | -43.5 | 176.6 | -69.7 | 164.8 | 0 | 0 | 0 | 111.1 | R747 D783 T784 F790 L791 | R747-I787 HydrophobicContact CB-CD1 4.37Å; R747-I787 HydrophobicContact CG-CD1 4.07Å; D783-I787 WeakPolarHBondContact O-CB 2.95Å; D783-I787 WeakPolarHBondContact O-CD1 3.3Å; D783-I787 VanDerWaalsContact O-CG1 3.23Å; D783-I787 WeakPolarHBondContact O-CG1 3.5Å; D783-I787 PolarHBondContact O-N 2.95Å; T784-I787 PolarHBondContact O-N 3.3Å; I787-F790 PolarHBondContact O-N 3.04Å; I787-L791 HydrophobicContact CG2-CD1 3.9Å; I787-L791 HydrophobicContact CG2-CG 4.49Å; I787-L791 VanDerWaalsContact O-CG 3.32Å; I787-L791 WeakPolarHBondContact O-CG 3.22Å; I787-L791 PolarHBondContact O-N 2.9Å |
| 788 | I | 92.9 | Very high | 89.8 | Confident | 97 Ų | 97 | 44.9 Ų | 44.9 | 50% | 0.497 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 178.2 | -70.1 | 167.9 | 0 | 0 | 0 | 110.8 | T784 I785 F790 L791 V792 | T784-I788 HydrophobicContact CG2-CD1 3.82Å; T784-I788 HydrophobicContact CG2-CG1 4.49Å; T784-I788 WeakPolarHBondContact O-CB 3.46Å; T784-I788 VanDerWaalsContact O-CG1 3.26Å; T784-I788 WeakPolarHBondContact O-CG1 3.41Å; T784-I788 PolarHBondContact O-N 3.12Å; I785-I788 PolarHBondContact O-N 3.09Å; I788-F790 VanDerWaalsContact C-N 3.3Å; I788-F790 PolarHBondContact O-N 3.43Å; I788-L791 PolarHBondContact O-N 3.42Å; I788-V792 WeakPolarHBondContact O-CG2 3.36Å; I788-V792 PolarHBondContact O-N 3.4Å |
| 789 | T | 93.2 | Very high | 89.8 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -33.4 | 178.8 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | I785 V786 A793 N813 | I785-T789 HydrophobicContact CG2-CG2 4.46Å; I785-T789 WeakPolarHBondContact O-CB 3.3Å; I785-T789 WeakPolarHBondContact O-CG2 3.49Å; I785-T789 PolarHBondContact O-N 3Å; I785-T789 PolarHBondContact O-OG1 3.21Å; V786-T789 PolarHBondContact O-OG1 2.81Å; T789-A793 WeakPolarHBondContact O-CB 3.42Å; T789-A793 PolarHBondContact O-N 2.62Å; T789-N813 PolarHBondContact OG1-ND2 3.47Å |
| 790 | F | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 171.5 | -178.3 | -85.8 | 0 | 0 | 0 | 112.1 | F721 L740 L741 N744 V786 I787 I788 A793 F794 Y810 N813 | F721-F790 HydrophobicContact CE1-CD2 4.41Å; F721-F790 HydrophobicContact CE2-CE2 4.33Å; F721-F790 HydrophobicContact CZ-CD2 4.07Å; F721-F790 HydrophobicContact CZ-CE2 4.09Å; L740-F790 HydrophobicContact CB-CE2 4.17Å; L740-F790 HydrophobicContact CB-CZ 3.7Å; L740-F790 HydrophobicContact CD1-CE2 4.32Å; L740-F790 HydrophobicContact CD1-CZ 4.49Å; L741-F790 HydrophobicContact CD1-CE1 4.29Å; N744-F790 HydrophobicContact CB-CD1 4Å; N744-F790 HydrophobicContact CB-CE1 4.28Å; N744-F790 VanDerWaalsContact ND2-CD1 3.31Å; N744-F790 WeakPolarHBondContact ND2-CD1 3.4Å; N744-F790 WeakPolarHBondContact ND2-CD2 3.37Å; N744-F790 WeakPolarHBondContact ND2-CE1 3.5Å; N744-F790 VanDerWaalsContact ND2-CG 3.28Å; N744-F790 WeakPolarHBondContact ND2-CG 3.33Å; V786-F790 VanDerWaalsContact O-CB 3.31Å; V786-F790 WeakPolarHBondContact O-CB 3.43Å; V786-F790 PolarHBondContact O-N 3.49Å; I787-F790 PolarHBondContact O-N 3.04Å; I788-F790 VanDerWaalsContact C-N 3.3Å; I788-F790 PolarHBondContact O-N 3.43Å; F790-A793 PolarHBondContact O-N 2.86Å; F790-F794 HydrophobicContact CE1-CB 4.45Å; F790-F794 WeakPolarHBondContact O-CB 3.36Å; F790-F794 PolarHBondContact O-N 3.37Å; F790-Y810 HydrophobicContact CD2-CD1 4.49Å; F790-Y810 HydrophobicContact CD2-CE1 4.25Å; F790-Y810 HydrophobicContact CE2-CD1 4.43Å; F790-Y810 AromaticContact CE2-CE1 3.97Å; F790-Y810 HydrophobicContact CE2-CE1 3.97Å; F790-Y810 HydrophobicContact CZ-CE1 4.35Å; F790-N813 PolarHBondContact N-ND2 2.9Å |
| 791 | L | 93.6 | Very high | 89.5 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 179.6 | -69.9 | 167.5 | 0 | 0 | 0 | 112.1 | L741 I745 I787 I788 F794 G795 | L741-L791 HydrophobicContact CD1-CD2 3.89Å; I745-L791 HydrophobicContact CG1-CD2 4.21Å; I787-L791 HydrophobicContact CG2-CD1 3.9Å; I787-L791 HydrophobicContact CG2-CG 4.49Å; I787-L791 VanDerWaalsContact O-CG 3.32Å; I787-L791 WeakPolarHBondContact O-CG 3.22Å; I787-L791 PolarHBondContact O-N 2.9Å; I788-L791 PolarHBondContact O-N 3.42Å; L791-F794 PolarHBondContact O-N 3.42Å; L791-G795 PolarHBondContact O-N 2.84Å |
| 792 | V | 93.1 | Very high | 89.5 | Confident | 78 Ų | 78 | 54 Ų | 54 | 47% | 0.473 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 172.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | I788 G795 L796 L809 | I788-V792 WeakPolarHBondContact O-CG2 3.36Å; I788-V792 PolarHBondContact O-N 3.4Å; V792-G795 PolarHBondContact O-N 3.46Å; V792-L796 HydrophobicContact CG1-CD1 3.85Å; V792-L796 HydrophobicContact CG1-CG 4.48Å; V792-L796 WeakPolarHBondContact O-CB 3.38Å; V792-L796 WeakPolarHBondContact O-CG 3.02Å; V792-L796 PolarHBondContact O-N 3.1Å; V792-L809 HydrophobicContact CG1-CD1 4.46Å |
| 793 | A | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T789 F790 L796 R797 L809 Y810 | T789-A793 WeakPolarHBondContact O-CB 3.42Å; T789-A793 PolarHBondContact O-N 2.62Å; F790-A793 PolarHBondContact O-N 2.86Å; A793-L796 PolarHBondContact O-N 2.78Å; A793-R797 PolarHBondContact O-N 2.7Å; A793-L809 HydrophobicContact CB-CB 3.62Å; A793-L809 HydrophobicContact CB-CD1 4.47Å; A793-Y810 HydrophobicContact CB-CD1 3.46Å; A793-Y810 VanDerWaalsContact CB-CD1 3.46Å; A793-Y810 HydrophobicContact CB-CE1 3.56Å; A793-Y810 HydrophobicContact CB-CG 4.41Å |
| 794 | F | 90.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.4 | -172.4 | -87.2 | 0 | 0 | 0 | 111.8 | E737 W738 L741 F790 L791 R797 F798 Y810 | E737-F794 HydrophobicContact CG-CD2 4.33Å; E737-F794 HydrophobicContact CG-CE2 4.07Å; W738-F794 HydrophobicContact CE3-CZ 4.26Å; W738-F794 HydrophobicContact CH2-CZ 4.11Å; W738-F794 HydrophobicContact CZ3-CE1 4.49Å; W738-F794 AromaticContact CZ3-CZ 3.93Å; W738-F794 HydrophobicContact CZ3-CZ 3.93Å; L741-F794 HydrophobicContact CB-CD2 4.43Å; L741-F794 HydrophobicContact CB-CE2 4.13Å; L741-F794 HydrophobicContact CB-CZ 4.41Å; L741-F794 HydrophobicContact CD1-CD1 3.83Å; L741-F794 HydrophobicContact CD1-CD2 4.12Å; L741-F794 HydrophobicContact CD1-CE1 4.01Å; L741-F794 HydrophobicContact CD1-CE2 4.33Å; L741-F794 HydrophobicContact CD1-CG 3.91Å; L741-F794 HydrophobicContact CD1-CZ 4.29Å; L741-F794 HydrophobicContact CD2-CD1 4.4Å; L741-F794 HydrophobicContact CD2-CE1 3.72Å; L741-F794 HydrophobicContact CD2-CE2 4.21Å; L741-F794 HydrophobicContact CD2-CZ 3.65Å; L741-F794 HydrophobicContact CG-CE1 4.4Å; L741-F794 HydrophobicContact CG-CE2 4.44Å; L741-F794 HydrophobicContact CG-CZ 4.32Å; F790-F794 HydrophobicContact CE1-CB 4.45Å; F790-F794 WeakPolarHBondContact O-CB 3.36Å; F790-F794 PolarHBondContact O-N 3.37Å; L791-F794 PolarHBondContact O-N 3.42Å; F794-R797 VanDerWaalsContact O-CB 3.26Å; F794-R797 WeakPolarHBondContact O-CB 3.32Å; F794-R797 PolarHBondContact O-N 2.67Å; F794-F798 AromaticContact CD1-CE2 3.78Å; F794-F798 HydrophobicContact CD1-CE2 3.78Å; F794-F798 HydrophobicContact CD1-CZ 4.45Å; F794-F798 AromaticContact CE1-CE2 3.41Å; F794-F798 HydrophobicContact CE1-CE2 3.41Å; F794-F798 VanDerWaalsContact CE1-CE2 3.41Å; F794-F798 AromaticContact CE1-CZ 3.66Å; F794-F798 HydrophobicContact CE1-CZ 3.66Å; F794-F798 HydrophobicContact CZ-CE2 4.13Å; F794-F798 AromaticContact CZ-CZ 4Å; F794-F798 HydrophobicContact CZ-CZ 4Å; F794-F798 WeakPolarHBondContact O-CD2 3.44Å; F794-Y810 WeakPolarHBondContact CA-OH 3.47Å; F794-Y810 VanDerWaalsContact CD2-OH 3.25Å; F794-Y810 WeakPolarHBondContact CD2-OH 3.43Å |
| 795 | G | 89.4 | Confident | 89.1 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | L791 V792 R797 F798 | L791-G795 PolarHBondContact O-N 2.84Å; V792-G795 PolarHBondContact O-N 3.46Å; G795-R797 PolarHBondContact O-N 3.02Å; G795-R797 VanDerWaalsContact O-N 3.16Å; G795-F798 PolarHBondContact O-N 3.2Å |
| 796 | L | 89 | Confident | 88.9 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -13.5 | 178.1 | -72.1 | 167.2 | 0 | 0 | 0 | 113.9 | V792 A793 T802 L805 L809 | V792-L796 HydrophobicContact CG1-CD1 3.85Å; V792-L796 HydrophobicContact CG1-CG 4.48Å; V792-L796 WeakPolarHBondContact O-CB 3.38Å; V792-L796 WeakPolarHBondContact O-CG 3.02Å; V792-L796 PolarHBondContact O-N 3.1Å; A793-L796 PolarHBondContact O-N 2.78Å; L796-T802 HydrophobicContact CD2-CG2 4.1Å; L796-T802 CarbonylContact O-C 3.59Å; L796-T802 PolarHBondContact O-OG1 3.24Å; L796-L805 HydrophobicContact CD1-CD2 4.08Å; L796-L805 HydrophobicContact CD1-CG 4.34Å; L796-L809 HydrophobicContact CD1-CD1 3.52Å |
| 797 | R | 84.6 | Confident | 88.6 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 5% | 0.045 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.1 | -34.6 | 173.8 | -165.6 | -152.1 | 176.3 | 88.4 | -2.9 | 112.8 | Q730 T732 E737 A793 F794 G795 S799 L803 | Q730-R797 PolarHBondContact O-NH2 3.16Å; T732-R797 PolarHBondContact O-NH2 3.06Å; E737-R797 WeakPolarHBondContact OE1-CD 3.44Å; E737-R797 IonicContact OE1-CZ 2.88Å; E737-R797 IonicContact OE1-NE 2.69Å; E737-R797 IonicContact OE1-NH1 3.79Å; E737-R797 PolarHBondContact OE1-NH1 3.07Å; E737-R797 IonicContact OE2-CZ 3.57Å; E737-R797 IonicContact OE2-NE 2.69Å; E737-R797 PolarHBondContact OE2-NE 2.68Å; E737-R797 IonicContact OE2-NH1 3.95Å; E737-R797 PolarHBondContact OE2-NH1 3.2Å; E737-R797 IonicContact OE2-NH2 2.74Å; E737-R797 PolarHBondContact OE2-NH2 3.5Å; A793-R797 PolarHBondContact O-N 2.7Å; F794-R797 VanDerWaalsContact O-CB 3.26Å; F794-R797 WeakPolarHBondContact O-CB 3.32Å; F794-R797 PolarHBondContact O-N 2.67Å; G795-R797 PolarHBondContact O-N 3.02Å; G795-R797 VanDerWaalsContact O-N 3.16Å; R797-S799 VanDerWaalsContact C-N 3.32Å; R797-S799 PolarHBondContact O-N 2.99Å; R797-L803 HydrophobicContact CG-CD1 4.02Å |
| 798 | F | 84.2 | Confident | 88.5 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 54% | 0.544 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -72.5 | -22 | -172.7 | -70.6 | -79.4 | 0 | 0 | 0 | 114 | F794 G795 | F794-F798 AromaticContact CD1-CE2 3.78Å; F794-F798 HydrophobicContact CD1-CE2 3.78Å; F794-F798 HydrophobicContact CD1-CZ 4.45Å; F794-F798 AromaticContact CE1-CE2 3.41Å; F794-F798 HydrophobicContact CE1-CE2 3.41Å; F794-F798 VanDerWaalsContact CE1-CE2 3.41Å; F794-F798 AromaticContact CE1-CZ 3.66Å; F794-F798 HydrophobicContact CE1-CZ 3.66Å; F794-F798 HydrophobicContact CZ-CE2 4.13Å; F794-F798 AromaticContact CZ-CZ 4Å; F794-F798 HydrophobicContact CZ-CZ 4Å; F794-F798 WeakPolarHBondContact O-CD2 3.44Å; G795-F798 PolarHBondContact O-N 3.2Å |
| 799 | S | 83.7 | Confident | 88.5 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -89.6 | 122 | 170.7 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | R797 Q801 T802 L803 | R797-S799 VanDerWaalsContact C-N 3.32Å; R797-S799 PolarHBondContact O-N 2.99Å; S799-Q801 PolarHBondContact O-N 3.23Å; S799-Q801 PolarHBondContact OG-N 3.1Å; S799-T802 WeakPolarHBondContact CB-OG1 3.28Å; S799-T802 PolarHBondContact O-N 3.01Å; S799-T802 PolarHBondContact O-OG1 2.94Å; S799-L803 PolarHBondContact O-N 3.07Å |
| 800 | V | 79 | Confident | 88.5 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -56.2 | -34.4 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 801 | Q | 83.2 | Confident | 88.3 | Confident | 181 Ų | 181 | 65.4 Ų | 65.4 | 85% | 0.846 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -68.9 | -32.5 | 178.8 | -66.5 | 176.9 | -15.9 | 0 | 0 | 112.9 | S799 | S799-Q801 PolarHBondContact O-N 3.23Å; S799-Q801 PolarHBondContact OG-N 3.1Å |
| 802 | T | 88.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 23% | 0.233 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -100.1 | 4.9 | -176.9 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | L796 S799 H804 L805 G806 | L796-T802 HydrophobicContact CD2-CG2 4.1Å; L796-T802 CarbonylContact O-C 3.59Å; L796-T802 PolarHBondContact O-OG1 3.24Å; S799-T802 WeakPolarHBondContact CB-OG1 3.28Å; S799-T802 PolarHBondContact O-N 3.01Å; S799-T802 PolarHBondContact O-OG1 2.94Å; T802-H804 PolarHBondContact O-N 3.06Å; T802-L805 WeakPolarHBondContact O-CA 3.48Å; T802-L805 WeakPolarHBondContact O-CB 3.5Å; T802-L805 PolarHBondContact O-N 3.4Å; T802-G806 PolarHBondContact O-N 3.05Å |
| 803 | L | 85.2 | Confident | 88.3 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.9 | -38.7 | -178.9 | -175.6 | 65.3 | 0 | 0 | 0 | 113.2 | L729 R797 S799 G806 R807 | L729-L803 HydrophobicContact CD2-CD1 4.13Å; R797-L803 HydrophobicContact CG-CD1 4.02Å; S799-L803 PolarHBondContact O-N 3.07Å; L803-G806 PolarHBondContact O-N 3.17Å; L803-R807 PolarHBondContact O-N 2.95Å |
| 804 | H | 86.2 | Confident | 88.4 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 175.6 | -68.1 | -83.4 | 0 | 0 | 0 | 112.3 | T802 R807 V808 | T802-H804 PolarHBondContact O-N 3.06Å; H804-R807 PolarHBondContact O-N 3.35Å; H804-V808 WeakPolarHBondContact O-CG2 3.45Å; H804-V808 PolarHBondContact O-N 3.05Å |
| 805 | L | 89.5 | Confident | 88.5 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.1 | -176.1 | 64 | 0 | 0 | 0 | 111.2 | L796 T802 R807 V808 L809 | L796-L805 HydrophobicContact CD1-CD2 4.08Å; L796-L805 HydrophobicContact CD1-CG 4.34Å; T802-L805 WeakPolarHBondContact O-CA 3.48Å; T802-L805 WeakPolarHBondContact O-CB 3.5Å; T802-L805 PolarHBondContact O-N 3.4Å; L805-R807 VanDerWaalsContact C-N 3.35Å; L805-R807 PolarHBondContact O-N 2.94Å; L805-V808 PolarHBondContact O-N 3.44Å; L805-L809 HydrophobicContact CG-CD1 4.3Å; L805-L809 WeakPolarHBondContact O-CG 3.29Å; L805-L809 PolarHBondContact O-N 2.91Å |
| 806 | G | 87.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T802 L803 L809 Y810 | T802-G806 PolarHBondContact O-N 3.05Å; L803-G806 PolarHBondContact O-N 3.17Å; G806-L809 PolarHBondContact O-N 3.39Å; G806-Y810 PolarHBondContact O-N 3.43Å |
| 807 | R | 88.7 | Confident | 88.9 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 42% | 0.415 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175.5 | -170.1 | 179.5 | -174.9 | -152.9 | -1.2 | 112.6 | V725 L729 L803 H804 L805 Y810 A811 | V725-R807 PolarHBondContact O-NH2 3.07Å; L729-R807 HydrophobicContact CD2-CB 4Å; L729-R807 HydrophobicContact CD2-CG 4.2Å; L803-R807 PolarHBondContact O-N 2.95Å; H804-R807 PolarHBondContact O-N 3.35Å; L805-R807 VanDerWaalsContact C-N 3.35Å; L805-R807 PolarHBondContact O-N 2.94Å; R807-Y810 PolarHBondContact O-N 2.94Å; R807-A811 PolarHBondContact O-N 2.96Å |
| 808 | V | 90.4 | Very high | 89.2 | Confident | 86 Ų | 86 | 72 Ų | 72 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | H804 L805 Y810 A811 C812 | H804-V808 WeakPolarHBondContact O-CG2 3.45Å; H804-V808 PolarHBondContact O-N 3.05Å; L805-V808 PolarHBondContact O-N 3.44Å; V808-Y810 VanDerWaalsContact C-N 3.35Å; V808-Y810 PolarHBondContact O-N 3.2Å; V808-A811 WeakPolarHBondContact O-CB 3.34Å; V808-A811 PolarHBondContact O-N 3.14Å; V808-A811 VanDerWaalsContact O-N 3.13Å; V808-C812 PolarHBondContact O-N 3.11Å; V808-C812 PolarHBondContact O-SG 3.48Å |
| 809 | L | 92.8 | Very high | 89.6 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 177.8 | -69.6 | 170.3 | 0 | 0 | 0 | 112.7 | V792 A793 L796 L805 G806 C812 N813 | V792-L809 HydrophobicContact CG1-CD1 4.46Å; A793-L809 HydrophobicContact CB-CB 3.62Å; A793-L809 HydrophobicContact CB-CD1 4.47Å; L796-L809 HydrophobicContact CD1-CD1 3.52Å; L805-L809 HydrophobicContact CG-CD1 4.3Å; L805-L809 WeakPolarHBondContact O-CG 3.29Å; L805-L809 PolarHBondContact O-N 2.91Å; G806-L809 PolarHBondContact O-N 3.39Å; L809-C812 PolarHBondContact O-N 3.08Å; L809-N813 WeakPolarHBondContact O-CB 3.4Å; L809-N813 PolarHBondContact O-N 3.07Å |
| 810 | Y | 92.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 169.5 | -77.5 | -17.2 | 0 | 0 | 0 | 112.9 | F721 E737 F790 A793 F794 G806 R807 V808 C812 N813 I814 | F721-Y810 HydrophobicContact CE2-CD1 4.31Å; F721-Y810 HydrophobicContact CE2-CG 4.23Å; F721-Y810 HydrophobicContact CZ-CD1 4.48Å; E737-Y810 VanDerWaalsContact OE1-CE2 3.28Å; E737-Y810 WeakPolarHBondContact OE1-CE2 3.5Å; E737-Y810 PolarHBondContact OE1-OH 3.35Å; F790-Y810 HydrophobicContact CD2-CD1 4.49Å; F790-Y810 HydrophobicContact CD2-CE1 4.25Å; F790-Y810 HydrophobicContact CE2-CD1 4.43Å; F790-Y810 AromaticContact CE2-CE1 3.97Å; F790-Y810 HydrophobicContact CE2-CE1 3.97Å; F790-Y810 HydrophobicContact CZ-CE1 4.35Å; A793-Y810 HydrophobicContact CB-CD1 3.46Å; A793-Y810 VanDerWaalsContact CB-CD1 3.46Å; A793-Y810 HydrophobicContact CB-CE1 3.56Å; A793-Y810 HydrophobicContact CB-CG 4.41Å; F794-Y810 WeakPolarHBondContact CA-OH 3.47Å; F794-Y810 VanDerWaalsContact CD2-OH 3.25Å; F794-Y810 WeakPolarHBondContact CD2-OH 3.43Å; G806-Y810 PolarHBondContact O-N 3.43Å; R807-Y810 PolarHBondContact O-N 2.94Å; V808-Y810 VanDerWaalsContact C-N 3.35Å; V808-Y810 PolarHBondContact O-N 3.2Å; Y810-C812 VanDerWaalsContact C-N 3.3Å; Y810-C812 PolarHBondContact O-N 2.97Å; Y810-N813 PolarHBondContact O-N 2.86Å; Y810-I814 PolarHBondContact O-N 3.14Å |
| 811 | A | 91 | Very high | 90.4 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V725 R807 V808 I814 | V725-A811 HydrophobicContact CG1-CB 4.18Å; R807-A811 PolarHBondContact O-N 2.96Å; V808-A811 WeakPolarHBondContact O-CB 3.34Å; V808-A811 PolarHBondContact O-N 3.14Å; V808-A811 VanDerWaalsContact O-N 3.13Å; A811-I814 WeakPolarHBondContact O-CG2 3.35Å |
| 812 | C | 92.1 | Very high | 90.6 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.7 | -41.4 | 170.4 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | V808 L809 Y810 I814 F815 F816 | V808-C812 PolarHBondContact O-N 3.11Å; V808-C812 PolarHBondContact O-SG 3.48Å; L809-C812 PolarHBondContact O-N 3.08Å; Y810-C812 VanDerWaalsContact C-N 3.3Å; Y810-C812 PolarHBondContact O-N 2.97Å; C812-I814 PolarHBondContact O-N 3.17Å; C812-F815 WeakPolarHBondContact O-CB 3.31Å; C812-F815 PolarHBondContact O-N 2.84Å; C812-F816 WeakPolarHBondContact O-CD2 3.28Å |
| 813 | N | 94.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -34.5 | -175.8 | -171.2 | -90 | 0 | 0 | 0 | 113 | F721 V786 T789 F790 L809 Y810 F815 F816 C817 | F721-N813 WeakPolarHBondContact CE1-OD1 3.42Å; F721-N813 HydrophobicContact CZ-CB 4.17Å; V786-N813 PolarHBondContact O-ND2 3.15Å; T789-N813 PolarHBondContact OG1-ND2 3.47Å; F790-N813 PolarHBondContact N-ND2 2.9Å; L809-N813 WeakPolarHBondContact O-CB 3.4Å; L809-N813 PolarHBondContact O-N 3.07Å; Y810-N813 PolarHBondContact O-N 2.86Å; N813-F815 VanDerWaalsContact C-N 3.34Å; N813-F815 PolarHBondContact O-N 3.23Å; N813-F816 PolarHBondContact O-N 3.3Å; N813-C817 PolarHBondContact O-N 3.5Å; N813-C817 PolarHBondContact O-SG 3.28Å; N813-C817 VanDerWaalsContact O-SG 3.35Å |
| 814 | I | 93.6 | Very high | 90.6 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -33.2 | 176.3 | -166.7 | 171.6 | 0 | 0 | 0 | 112.6 | F721 V725 Y810 A811 C812 F816 C817 Y818 | F721-I814 HydrophobicContact CB-CD1 4Å; F721-I814 HydrophobicContact CB-CG1 4.45Å; F721-I814 HydrophobicContact CD1-CB 3.86Å; F721-I814 HydrophobicContact CD1-CD1 4.14Å; F721-I814 HydrophobicContact CD1-CG1 3.74Å; F721-I814 HydrophobicContact CD2-CB 4.45Å; F721-I814 HydrophobicContact CD2-CD1 4.27Å; F721-I814 HydrophobicContact CE1-CB 3.69Å; F721-I814 HydrophobicContact CE1-CG1 4.11Å; F721-I814 HydrophobicContact CE2-CB 4.31Å; F721-I814 HydrophobicContact CG-CB 4.25Å; F721-I814 HydrophobicContact CG-CD1 3.86Å; F721-I814 HydrophobicContact CG-CG1 4Å; F721-I814 HydrophobicContact CZ-CB 3.93Å; V725-I814 HydrophobicContact CG1-CG2 4.35Å; V725-I814 HydrophobicContact CG2-CB 4.45Å; V725-I814 HydrophobicContact CG2-CD1 4.28Å; V725-I814 HydrophobicContact CG2-CG2 4.21Å; Y810-I814 PolarHBondContact O-N 3.14Å; A811-I814 WeakPolarHBondContact O-CG2 3.35Å; C812-I814 PolarHBondContact O-N 3.17Å; I814-F816 PolarHBondContact O-N 3.27Å; I814-C817 WeakPolarHBondContact O-CA 3.4Å; I814-C817 WeakPolarHBondContact O-CB 3.36Å; I814-C817 PolarHBondContact O-N 3.35Å; I814-C817 VanDerWaalsContact O-N 3.12Å; I814-Y818 HydrophobicContact CD1-CE2 4.09Å; I814-Y818 HydrophobicContact CG1-CD2 4Å; I814-Y818 HydrophobicContact CG1-CE2 3.91Å; I814-Y818 WeakPolarHBondContact O-CD2 3.46Å; I814-Y818 PolarHBondContact O-N 3.09Å |
| 815 | F | 93.3 | Very high | 90.5 | Very high | 128 Ų | 128 | 51.3 Ų | 51.3 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 172.4 | 169.4 | -96.4 | 0 | 0 | 0 | 111.6 | C812 N813 C817 Y818 V819 | C812-F815 WeakPolarHBondContact O-CB 3.31Å; C812-F815 PolarHBondContact O-N 2.84Å; N813-F815 VanDerWaalsContact C-N 3.34Å; N813-F815 PolarHBondContact O-N 3.23Å; F815-C817 VanDerWaalsContact C-N 3.28Å; F815-C817 PolarHBondContact O-N 3.42Å; F815-Y818 PolarHBondContact O-N 3.39Å; F815-Y818 VanDerWaalsContact O-N 3.15Å; F815-V819 HydrophobicContact CE1-CG2 4.13Å; F815-V819 HydrophobicContact CE2-CG2 4.37Å; F815-V819 HydrophobicContact CZ-CG2 4.02Å; F815-V819 PolarHBondContact O-N 3.25Å |
| 816 | F | 93.4 | Very high | 90.1 | Very high | 85 Ų | 85 | 48.4 Ų | 48.4 | 37% | 0.373 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -31.1 | 175.4 | -61.1 | -67 | 0 | 0 | 0 | 112.4 | Y782 V786 C812 N813 I814 R820 | Y782-F816 HydrophobicContact CE2-CD1 4.25Å; Y782-F816 VanDerWaalsContact OH-CA 3.28Å; Y782-F816 WeakPolarHBondContact OH-CA 3.3Å; Y782-F816 WeakPolarHBondContact OH-CB 3.38Å; Y782-F816 PolarHBondContact OH-O 2.9Å; V786-F816 HydrophobicContact CG2-CB 3.63Å; V786-F816 HydrophobicContact CG2-CG 4.41Å; C812-F816 WeakPolarHBondContact O-CD2 3.28Å; N813-F816 PolarHBondContact O-N 3.3Å; I814-F816 PolarHBondContact O-N 3.27Å; F816-R820 PolarHBondContact O-N 2.97Å |
| 817 | C | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 170.8 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | Y714 F717 L718 F721 N813 I814 F815 R820 | Y714-C817 VanDerWaalsContact OH-CA 3.28Å; Y714-C817 WeakPolarHBondContact OH-CA 3.34Å; Y714-C817 WeakPolarHBondContact OH-CB 3.36Å; Y714-C817 PolarHBondContact OH-O 3.22Å; F717-C817 HydrophobicContact CE1-CB 4.23Å; L718-C817 HydrophobicContact CD2-CB 3.64Å; F721-C817 HydrophobicContact CD1-CB 4.5Å; N813-C817 PolarHBondContact O-N 3.5Å; N813-C817 PolarHBondContact O-SG 3.28Å; N813-C817 VanDerWaalsContact O-SG 3.35Å; I814-C817 WeakPolarHBondContact O-CA 3.4Å; I814-C817 WeakPolarHBondContact O-CB 3.36Å; I814-C817 PolarHBondContact O-N 3.35Å; I814-C817 VanDerWaalsContact O-N 3.12Å; F815-C817 VanDerWaalsContact C-N 3.28Å; F815-C817 PolarHBondContact O-N 3.42Å; C817-R820 WeakPolarHBondContact O-CB 3.48Å; C817-R820 PolarHBondContact O-N 2.96Å |
| 818 | Y | 92.8 | Very high | 89.2 | Confident | 108 Ų | 108 | 46.6 Ų | 46.6 | 42% | 0.424 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 174 | -88.5 | -72.3 | 0 | 0 | 0 | 112.7 | T722 I814 F815 R820 L821 | T722-Y818 PolarHBondContact OG1-OH 3.12Å; I814-Y818 HydrophobicContact CD1-CE2 4.09Å; I814-Y818 HydrophobicContact CG1-CD2 4Å; I814-Y818 HydrophobicContact CG1-CE2 3.91Å; I814-Y818 WeakPolarHBondContact O-CD2 3.46Å; I814-Y818 PolarHBondContact O-N 3.09Å; F815-Y818 PolarHBondContact O-N 3.39Å; F815-Y818 VanDerWaalsContact O-N 3.15Å; Y818-R820 PolarHBondContact O-N 3.04Å; Y818-R820 VanDerWaalsContact O-N 3.17Å; Y818-L821 HydrophobicContact CD1-CD1 3.97Å; Y818-L821 HydrophobicContact CE1-CD1 4.5Å; Y818-L821 VanDerWaalsContact O-CB 3.3Å; Y818-L821 WeakPolarHBondContact O-CB 3.5Å; Y818-L821 PolarHBondContact O-N 3.27Å |
| 819 | V | 91.1 | Very high | 88.2 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -28.6 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | Y782 F815 L821 L822 | Y782-V819 WeakPolarHBondContact OH-CB 3.45Å; Y782-V819 WeakPolarHBondContact OH-CG1 3.28Å; F815-V819 HydrophobicContact CE1-CG2 4.13Å; F815-V819 HydrophobicContact CE2-CG2 4.37Å; F815-V819 HydrophobicContact CZ-CG2 4.02Å; F815-V819 PolarHBondContact O-N 3.25Å; V819-L821 PolarHBondContact O-N 3.4Å; V819-L822 HydrophobicContact CG1-CD1 4.44Å; V819-L822 WeakPolarHBondContact O-CB 3.36Å; V819-L822 WeakPolarHBondContact O-CG 3.42Å; V819-L822 PolarHBondContact O-N 3.12Å |
| 820 | R | 90.6 | Very high | 87.3 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -22.2 | 176.2 | -166.9 | 55.5 | 165.4 | 123.3 | 1.5 | 114.1 | Y714 Y782 D783 F816 C817 Y818 L822 D823 | Y714-R820 HydrophobicContact CE1-CB 4.14Å; Y714-R820 HydrophobicContact CE1-CG 4.31Å; Y782-R820 HydrophobicContact CE1-CB 4.43Å; D783-R820 VanDerWaalsContact CG-NE 3.34Å; D783-R820 WeakPolarHBondContact OD1-CD 3.48Å; D783-R820 IonicContact OD1-CZ 3.2Å; D783-R820 IonicContact OD1-NE 4Å; D783-R820 PolarHBondContact OD1-NE 3.11Å; D783-R820 IonicContact OD1-NH2 2.67Å; D783-R820 IonicContact OD2-CZ 3.54Å; D783-R820 IonicContact OD2-NE 2.81Å; D783-R820 PolarHBondContact OD2-NE 3Å; D783-R820 IonicContact OD2-NH2 3.14Å; D783-R820 PolarHBondContact OD2-NH2 3.42Å; F816-R820 PolarHBondContact O-N 2.97Å; C817-R820 WeakPolarHBondContact O-CB 3.48Å; C817-R820 PolarHBondContact O-N 2.96Å; Y818-R820 PolarHBondContact O-N 3.04Å; Y818-R820 VanDerWaalsContact O-N 3.17Å; R820-L822 PolarHBondContact O-N 3.48Å; R820-D823 IonicContact CZ-OD2 2.89Å; R820-D823 IonicContact NH1-OD2 3.66Å; R820-D823 PolarHBondContact NH1-OD2 2.93Å; R820-D823 PolarHBondContact O-N 3.02Å; R820-D823 VanDerWaalsContact O-N 3.11Å |
| 821 | L | 90.5 | Very high | 86.6 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.6 | -31.4 | 175 | -73.2 | 173.3 | 0 | 0 | 0 | 112.9 | Y714 L718 Y818 V819 D823 F824 L825 | Y714-L821 HydrophobicContact CD1-CD2 3.95Å; Y714-L821 HydrophobicContact CE1-CD2 4.21Å; Y714-L821 HydrophobicContact CE1-CG 4.49Å; L718-L821 HydrophobicContact CD1-CD1 3.76Å; L718-L821 HydrophobicContact CD1-CD2 3.72Å; L718-L821 HydrophobicContact CD1-CG 3.76Å; Y818-L821 HydrophobicContact CD1-CD1 3.97Å; Y818-L821 HydrophobicContact CE1-CD1 4.5Å; Y818-L821 VanDerWaalsContact O-CB 3.3Å; Y818-L821 WeakPolarHBondContact O-CB 3.5Å; Y818-L821 PolarHBondContact O-N 3.27Å; V819-L821 PolarHBondContact O-N 3.4Å; L821-D823 PolarHBondContact O-N 3.14Å; L821-D823 VanDerWaalsContact O-N 3.12Å; L821-F824 PolarHBondContact O-N 2.76Å; L821-L825 PolarHBondContact O-N 2.77Å; L821-L825 VanDerWaalsContact O-N 3.09Å |
| 822 | L | 86.8 | Confident | 85.8 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.7 | -31 | 177.8 | -63 | 176.6 | 0 | 0 | 0 | 112.2 | V819 R820 L825 C826 I835 | V819-L822 HydrophobicContact CG1-CD1 4.44Å; V819-L822 WeakPolarHBondContact O-CB 3.36Å; V819-L822 WeakPolarHBondContact O-CG 3.42Å; V819-L822 PolarHBondContact O-N 3.12Å; R820-L822 PolarHBondContact O-N 3.48Å; L822-L825 HydrophobicContact CD2-CD1 4.49Å; L822-L825 PolarHBondContact O-N 2.75Å; L822-C826 PolarHBondContact O-N 2.67Å; L822-C826 PolarHBondContact O-SG 3.04Å; L822-I835 HydrophobicContact CB-CD1 4.38Å; L822-I835 HydrophobicContact CB-CG2 4.22Å; L822-I835 HydrophobicContact CD2-CD1 4.13Å; L822-I835 WeakPolarHBondContact O-CD1 3.43Å |
| 823 | D | 85.7 | Confident | 84.7 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.6 | -23 | 179.9 | -153.8 | 48.8 | 0 | 0 | 0 | 114.6 | W779 R820 L821 C826 R948 | W779-D823 HydrophobicContact CD2-CB 4.21Å; W779-D823 VanDerWaalsContact CE2-OD1 3.3Å; W779-D823 HydrophobicContact CH2-CB 4.15Å; W779-D823 HydrophobicContact CZ2-CB 3.74Å; W779-D823 PolarHBondContact NE1-OD1 3.25Å; R820-D823 IonicContact CZ-OD2 2.89Å; R820-D823 IonicContact NH1-OD2 3.66Å; R820-D823 PolarHBondContact NH1-OD2 2.93Å; R820-D823 PolarHBondContact O-N 3.02Å; R820-D823 VanDerWaalsContact O-N 3.11Å; L821-D823 PolarHBondContact O-N 3.14Å; L821-D823 VanDerWaalsContact O-N 3.12Å; D823-C826 WeakPolarHBondContact O-CB 3.3Å; D823-R948 IonicContact OD1-CZ 3.37Å; D823-R948 IonicContact OD1-NH1 2.67Å; D823-R948 IonicContact OD1-NH2 2.61Å; D823-R948 PolarHBondContact OD1-NH2 3.45Å; D823-R948 IonicContact OD2-CZ 2.68Å; D823-R948 IonicContact OD2-NH1 3.23Å; D823-R948 PolarHBondContact OD2-NH1 3.35Å; D823-R948 IonicContact OD2-NH2 2.64Å; D823-R948 PolarHBondContact OD2-NH2 2.98Å |
| 824 | F | 87.5 | Confident | 83.8 | Confident | 26 Ų | 26 | 66 Ų | 66 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77 | -40.9 | 168.8 | -65.3 | -77.5 | 0 | 0 | 0 | 110.1 | F707 V711 Y714 L821 C826 V827 | F707-F824 HydrophobicContact CE2-CB 4.41Å; F707-F824 HydrophobicContact CE2-CD1 4.08Å; F707-F824 HydrophobicContact CZ-CB 4.49Å; V711-F824 HydrophobicContact CG2-CB 3.99Å; V711-F824 HydrophobicContact CG2-CD1 3.42Å; V711-F824 VanDerWaalsContact CG2-CD1 3.42Å; V711-F824 HydrophobicContact CG2-CE1 4.1Å; V711-F824 HydrophobicContact CG2-CG 3.9Å; Y714-F824 HydrophobicContact CD1-CD2 4.15Å; Y714-F824 AromaticContact CD1-CE2 3.51Å; Y714-F824 HydrophobicContact CD1-CE2 3.51Å; Y714-F824 HydrophobicContact CD1-CZ 4.31Å; Y714-F824 HydrophobicContact CE1-CE2 4.05Å; Y714-F824 HydrophobicContact CG-CE2 4.03Å; Y714-F824 HydrophobicContact CG-CZ 4.41Å; L821-F824 PolarHBondContact O-N 2.76Å; F824-C826 PolarHBondContact O-N 2.66Å; F824-V827 WeakPolarHBondContact O-CB 3.42Å; F824-V827 PolarHBondContact O-N 2.79Å; F824-V827 VanDerWaalsContact O-N 3.12Å |
| 825 | L | 85.2 | Confident | 83 | Confident | 74 Ų | 74 | 66 Ų | 66 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -28 | 175.6 | -63.8 | 175.3 | 0 | 0 | 0 | 112.9 | L821 L822 V827 S828 I831 I835 | L821-L825 PolarHBondContact O-N 2.77Å; L821-L825 VanDerWaalsContact O-N 3.09Å; L822-L825 HydrophobicContact CD2-CD1 4.49Å; L822-L825 PolarHBondContact O-N 2.75Å; L825-V827 PolarHBondContact O-N 3.25Å; L825-V827 VanDerWaalsContact O-N 3.09Å; L825-S828 WeakPolarHBondContact O-CB 3.35Å; L825-S828 PolarHBondContact O-N 3.26Å; L825-S828 PolarHBondContact O-OG 2.83Å; L825-I831 HydrophobicContact CD2-CD1 4.32Å; L825-I835 HydrophobicContact CB-CD1 3.47Å; L825-I835 VanDerWaalsContact CB-CD1 3.47Å; L825-I835 HydrophobicContact CD1-CD1 4.48Å |
| 826 | C | 80.2 | Confident | 82 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -24.5 | 170.2 | -80 | 0 | 0 | 0 | 0 | 114.8 | L822 D823 F824 I835 | L822-C826 PolarHBondContact O-N 2.67Å; L822-C826 PolarHBondContact O-SG 3.04Å; D823-C826 WeakPolarHBondContact O-CB 3.3Å; F824-C826 PolarHBondContact O-N 2.66Å; C826-I835 WeakPolarHBondContact SG-CG2 3.42Å |
| 827 | V | 78.7 | Confident | 80.8 | Confident | 32 Ų | 32 | 59 Ų | 59 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.9 | -179.5 | 179.3 | 0 | 0 | 0 | 0 | 112 | W567 F707 F824 L825 Y952 | W567-V827 HydrophobicContact CH2-CG1 3.69Å; W567-V827 HydrophobicContact CZ2-CG1 3.63Å; F707-V827 HydrophobicContact CD2-CB 4.44Å; F707-V827 HydrophobicContact CD2-CG1 4.3Å; F707-V827 HydrophobicContact CD2-CG2 4.14Å; F707-V827 HydrophobicContact CE1-CG1 4.49Å; F707-V827 HydrophobicContact CE2-CB 3.71Å; F707-V827 HydrophobicContact CE2-CG1 4Å; F707-V827 HydrophobicContact CE2-CG2 3.55Å; F707-V827 HydrophobicContact CZ-CB 3.83Å; F707-V827 HydrophobicContact CZ-CG1 4.09Å; F707-V827 HydrophobicContact CZ-CG2 4.19Å; F824-V827 WeakPolarHBondContact O-CB 3.42Å; F824-V827 PolarHBondContact O-N 2.79Å; F824-V827 VanDerWaalsContact O-N 3.12Å; L825-V827 PolarHBondContact O-N 3.25Å; L825-V827 VanDerWaalsContact O-N 3.09Å; V827-Y952 HydrophobicContact CG2-CE2 4.3Å |
| 828 | S | 79.5 | Confident | 80 | Confident | 43 Ų | 43 | 63.8 Ų | 63.8 | 30% | 0.301 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -73 | 141.6 | 180 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | L825 Y830 I831 G832 | L825-S828 WeakPolarHBondContact O-CB 3.35Å; L825-S828 PolarHBondContact O-N 3.26Å; L825-S828 PolarHBondContact O-OG 2.83Å; S828-Y830 VanDerWaalsContact C-N 3.28Å; S828-Y830 PolarHBondContact O-N 2.91Å; S828-I831 WeakPolarHBondContact OG-CA 3.39Å; S828-I831 VanDerWaalsContact OG-CB 3.25Å; S828-I831 WeakPolarHBondContact OG-CB 3.49Å; S828-I831 PolarHBondContact OG-N 3.29Å; S828-I831 VanDerWaalsContact OG-N 3.08Å; S828-G832 WeakPolarHBondContact O-CA 3.48Å; S828-G832 PolarHBondContact O-N 2.97Å; S828-G832 PolarHBondContact OG-N 3.06Å |
| 829 | R | 70.1 | Confident | 79.1 | Confident | 197 Ų | 197 | 64.7 Ų | 64.7 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -33.2 | 179.4 | -168.8 | 173.2 | -177.6 | 143.5 | -1 | 112.9 | H833 | R829-H833 PolarHBondContact O-ND1 3.08Š|
| 830 | Y | 73.8 | Confident | 78 | Confident | 187 Ų | 187 | 67.3 Ų | 67.3 | 73% | 0.733 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -40.7 | -175.2 | -62.2 | -76.8 | 0 | 0 | 0 | 113.8 | S828 H833 Y834 | S828-Y830 VanDerWaalsContact C-N 3.28Å; S828-Y830 PolarHBondContact O-N 2.91Å; Y830-H833 PolarHBondContact O-CE1 3.15Å; Y830-H833 PolarHBondContact O-ND1 3.4Å; Y830-H833 VanDerWaalsContact O-ND1 3.16Å; Y830-Y834 VanDerWaalsContact O-CD2 3.27Å; Y830-Y834 WeakPolarHBondContact O-CD2 3.35Å; Y830-Y834 WeakPolarHBondContact O-CE2 3.34Å |
| 831 | I | 77.1 | Confident | 77.2 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -27.9 | -177.1 | -43.4 | 176.8 | 0 | 0 | 0 | 111 | L825 S828 H833 Y834 I835 | L825-I831 HydrophobicContact CD2-CD1 4.32Å; S828-I831 WeakPolarHBondContact OG-CA 3.39Å; S828-I831 VanDerWaalsContact OG-CB 3.25Å; S828-I831 WeakPolarHBondContact OG-CB 3.49Å; S828-I831 PolarHBondContact OG-N 3.29Å; S828-I831 VanDerWaalsContact OG-N 3.08Å; I831-H833 VanDerWaalsContact C-N 3.31Å; I831-H833 PolarHBondContact O-N 3.41Å; I831-Y834 PolarHBondContact O-N 3.42Å; I831-Y834 VanDerWaalsContact O-N 3.17Å; I831-I835 HydrophobicContact CG2-CD1 3.85Å; I831-I835 HydrophobicContact CG2-CG1 4.14Å; I831-I835 PolarHBondContact O-N 3.06Å; I831-I835 VanDerWaalsContact O-N 3.14Å |
| 832 | G | 73.8 | Confident | 76.5 | Confident | 5 Ų | 5 | 69.6 Ų | 69.6 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -27.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S828 V836 | S828-G832 WeakPolarHBondContact O-CA 3.48Å; S828-G832 PolarHBondContact O-N 2.97Å; S828-G832 PolarHBondContact OG-N 3.06Å; G832-V836 WeakPolarHBondContact O-CG2 3.4Å; G832-V836 PolarHBondContact O-N 3.45Å |
| 833 | H | 69.2 | Low | 76 | Confident | 62 Ų | 62 | 72 Ų | 72 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 173.8 | 66.8 | -94.9 | 0 | 0 | 0 | 111.4 | R829 Y830 I831 I835 V836 M837 M942 | R829-H833 PolarHBondContact O-ND1 3.08Å; Y830-H833 PolarHBondContact O-CE1 3.15Å; Y830-H833 PolarHBondContact O-ND1 3.4Å; Y830-H833 VanDerWaalsContact O-ND1 3.16Å; I831-H833 VanDerWaalsContact C-N 3.31Å; I831-H833 PolarHBondContact O-N 3.41Å; H833-I835 VanDerWaalsContact C-N 3.32Å; H833-I835 PolarHBondContact O-N 2.96Å; H833-V836 PolarHBondContact O-N 3.49Å; H833-M837 VanDerWaalsContact O-CB 3.28Å; H833-M837 WeakPolarHBondContact O-CB 3.28Å; H833-M837 PolarHBondContact O-N 3.46Å; H833-M942 HydrophobicContact CB-CG 4.25Å; H833-M942 HydrophobicContact CB-SD 4.42Å |
| 834 | Y | 74.5 | Confident | 75.6 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 52% | 0.522 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.7 | -36.8 | 174 | -61.7 | -62.4 | 0 | 0 | 0 | 113.2 | Y830 I831 M837 L838 | Y830-Y834 VanDerWaalsContact O-CD2 3.27Å; Y830-Y834 WeakPolarHBondContact O-CD2 3.35Å; Y830-Y834 WeakPolarHBondContact O-CE2 3.34Å; I831-Y834 PolarHBondContact O-N 3.42Å; I831-Y834 VanDerWaalsContact O-N 3.17Å; Y834-M837 HydrophobicContact CD1-CE 4.36Å; Y834-M837 WeakPolarHBondContact O-CB 3.39Å; Y834-M837 PolarHBondContact O-N 2.8Å; Y834-L838 WeakPolarHBondContact O-CB 3.39Å; Y834-L838 PolarHBondContact O-N 2.64Å |
| 835 | I | 78.1 | Confident | 75.4 | Confident | 19 Ų | 19 | 75.7 Ų | 75.7 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.7 | -36 | 178.8 | -59 | 172.5 | 0 | 0 | 0 | 111.7 | L822 L825 C826 I831 H833 M837 L838 K839 | L822-I835 HydrophobicContact CB-CD1 4.38Å; L822-I835 HydrophobicContact CB-CG2 4.22Å; L822-I835 HydrophobicContact CD2-CD1 4.13Å; L822-I835 WeakPolarHBondContact O-CD1 3.43Å; L825-I835 HydrophobicContact CB-CD1 3.47Å; L825-I835 VanDerWaalsContact CB-CD1 3.47Å; L825-I835 HydrophobicContact CD1-CD1 4.48Å; C826-I835 WeakPolarHBondContact SG-CG2 3.42Å; I831-I835 HydrophobicContact CG2-CD1 3.85Å; I831-I835 HydrophobicContact CG2-CG1 4.14Å; I831-I835 PolarHBondContact O-N 3.06Å; I831-I835 VanDerWaalsContact O-N 3.14Å; H833-I835 VanDerWaalsContact C-N 3.32Å; H833-I835 PolarHBondContact O-N 2.96Å; I835-M837 VanDerWaalsContact C-N 3.31Å; I835-L838 PolarHBondContact O-N 3.48Å; I835-K839 PolarHBondContact O-N 3.24Å |
| 836 | V | 71 | Confident | 75.3 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 17% | 0.17 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 171.3 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | G832 H833 R840 H944 | G832-V836 WeakPolarHBondContact O-CG2 3.4Å; G832-V836 PolarHBondContact O-N 3.45Å; H833-V836 PolarHBondContact O-N 3.49Å; V836-R840 PolarHBondContact O-N 3.42Å; V836-H944 WeakPolarHBondContact CG1-ND1 3.31Å |
| 837 | M | 69 | Low | 75.4 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 18% | 0.177 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -52.4 | 174.7 | -176.3 | -178.4 | 96.8 | 0 | 0 | 110.9 | H833 Y834 I835 K839 R840 M841 | H833-M837 VanDerWaalsContact O-CB 3.28Å; H833-M837 WeakPolarHBondContact O-CB 3.28Å; H833-M837 PolarHBondContact O-N 3.46Å; Y834-M837 HydrophobicContact CD1-CE 4.36Å; Y834-M837 WeakPolarHBondContact O-CB 3.39Å; Y834-M837 PolarHBondContact O-N 2.8Å; I835-M837 VanDerWaalsContact C-N 3.31Å; M837-K839 VanDerWaalsContact C-N 3.3Å; M837-K839 PolarHBondContact O-N 2.95Å; M837-R840 WeakPolarHBondContact O-CB 3.37Å; M837-R840 PolarHBondContact O-N 3.1Å; M837-M841 HydrophobicContact CB-CE 4.39Å; M837-M841 HydrophobicContact CE-CE 4.14Å; M837-M841 HydrophobicContact CE-SD 4.2Å; M837-M841 HydrophobicContact CG-CE 3.12Å; M837-M841 HydrophobicContact CG-SD 3.84Å; M837-M841 PolarHBondContact O-N 2.99Å; M837-M841 HydrophobicContact SD-CE 3.96Å |
| 838 | L | 75.1 | Confident | 75.6 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.3 | -43.8 | 175.3 | -176.6 | 69.1 | 0 | 0 | 0 | 112.3 | Y834 I835 R840 M841 V842 | Y834-L838 WeakPolarHBondContact O-CB 3.39Å; Y834-L838 PolarHBondContact O-N 2.64Å; I835-L838 PolarHBondContact O-N 3.48Å; L838-R840 PolarHBondContact O-N 3.15Å; L838-M841 PolarHBondContact O-N 3.1Å; L838-V842 PolarHBondContact O-N 3.37Å |
| 839 | K | 73.4 | Confident | 75.9 | Confident | 127 Ų | 127 | 79.6 Ų | 79.6 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.2 | -33.8 | 177 | -178.4 | 178.2 | 176.5 | -173.9 | 0 | 112.9 | I835 M837 | I835-K839 PolarHBondContact O-N 3.24Å; M837-K839 VanDerWaalsContact C-N 3.3Å; M837-K839 PolarHBondContact O-N 2.95Å |
| 840 | R | 69.2 | Low | 76.8 | Confident | 102 Ų | 102 | 74.5 Ų | 74.5 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -78.5 | -21.7 | 177.8 | -69.9 | -177.6 | 175.2 | -174.1 | 3.1 | 113 | V836 M837 L838 P844 W941 | V836-R840 PolarHBondContact O-N 3.42Å; M837-R840 WeakPolarHBondContact O-CB 3.37Å; M837-R840 PolarHBondContact O-N 3.1Å; L838-R840 PolarHBondContact O-N 3.15Å; R840-P844 WeakPolarHBondContact O-CD 3.47Å; R840-W941 VanDerWaalsContact NH1-CD1 3.34Å |
| 841 | M | 72.6 | Confident | 77.4 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -82.1 | -14.1 | -179.3 | -75.2 | 156 | -162.9 | 0 | 0 | 114.1 | M837 L838 F843 P844 V845 F933 A937 S940 | M837-M841 HydrophobicContact CB-CE 4.39Å; M837-M841 HydrophobicContact CE-CE 4.14Å; M837-M841 HydrophobicContact CE-SD 4.2Å; M837-M841 HydrophobicContact CG-CE 3.12Å; M837-M841 HydrophobicContact CG-SD 3.84Å; M837-M841 PolarHBondContact O-N 2.99Å; M837-M841 HydrophobicContact SD-CE 3.96Å; L838-M841 PolarHBondContact O-N 3.1Å; M841-F843 VanDerWaalsContact C-N 3.3Å; M841-F843 PolarHBondContact O-N 3.41Å; M841-P844 WeakPolarHBondContact O-CD 3.23Å; M841-V845 HydrophobicContact CB-CG2 4.19Å; M841-V845 VanDerWaalsContact O-CB 3.26Å; M841-V845 WeakPolarHBondContact O-CB 3.43Å; M841-V845 WeakPolarHBondContact O-CG2 3.32Å; M841-V845 PolarHBondContact O-N 3.06Å; M841-F933 HydrophobicContact CB-CZ 4.16Å; M841-F933 HydrophobicContact CG-CZ 4.11Å; M841-A937 VanDerWaalsContact CE-C 3.49Å; M841-A937 VanDerWaalsContact CE-CA 3.46Å; M841-A937 HydrophobicContact CE-CB 3.33Å; M841-A937 WeakPolarHBondContact CE-O 3.49Å; M841-A937 HydrophobicContact CG-CB 4.43Å; M841-A937 HydrophobicContact SD-CB 3.69Å; M841-S940 WeakPolarHBondContact CE-OG 3.31Å |
| 842 | V | 76.2 | Confident | 77.9 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -52.4 | -44.3 | -176.9 | -179.1 | 0 | 0 | 0 | 0 | 113 | L838 F846 | L838-V842 PolarHBondContact O-N 3.37Å; V842-F846 WeakPolarHBondContact O-CB 3.36Å; V842-F846 PolarHBondContact O-N 2.93Å; V842-F846 VanDerWaalsContact O-N 3.08Å |
| 843 | F | 77.3 | Confident | 78.7 | Confident | 115 Ų | 115 | 70.4 Ų | 70.4 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.9 | -49.5 | 179.3 | -178.9 | -86.3 | 0 | 0 | 0 | 112.7 | M841 V845 F846 C847 | M841-F843 VanDerWaalsContact C-N 3.3Å; M841-F843 PolarHBondContact O-N 3.41Å; F843-V845 VanDerWaalsContact C-N 3.32Å; F843-V845 PolarHBondContact O-N 3.2Å; F843-F846 WeakPolarHBondContact O-CB 3.47Å; F843-F846 PolarHBondContact O-N 3.38Å; F843-F846 VanDerWaalsContact O-N 3.1Å; F843-C847 PolarHBondContact O-N 3.08Å; F843-C847 VanDerWaalsContact O-N 3.1Å; F843-C847 PolarHBondContact O-SG 3.28Å |
| 844 | P | 77.4 | Confident | 79.7 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.9 | -40.4 | 170.3 | -30.6 | 37 | 0 | 0 | 0 | 115 | R840 M841 F846 C847 V848 F933 | R840-P844 WeakPolarHBondContact O-CD 3.47Å; M841-P844 WeakPolarHBondContact O-CD 3.23Å; P844-F846 VanDerWaalsContact C-N 3.34Å; P844-F846 PolarHBondContact O-N 3.22Å; P844-C847 WeakPolarHBondContact O-CB 3.28Å; P844-C847 PolarHBondContact O-N 3.46Å; P844-V848 WeakPolarHBondContact O-CG2 3.29Å; P844-V848 PolarHBondContact O-N 3.41Å; P844-F933 HydrophobicContact CB-CD2 4.47Å; P844-F933 HydrophobicContact CB-CE2 3.49Å; P844-F933 VanDerWaalsContact CB-CE2 3.49Å; P844-F933 HydrophobicContact CB-CZ 4.04Å |
| 845 | V | 81.6 | Confident | 80.4 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.2 | 166.2 | 0 | 0 | 0 | 0 | 110.8 | M841 F843 C847 V848 I849 F933 | M841-V845 HydrophobicContact CB-CG2 4.19Å; M841-V845 VanDerWaalsContact O-CB 3.26Å; M841-V845 WeakPolarHBondContact O-CB 3.43Å; M841-V845 WeakPolarHBondContact O-CG2 3.32Å; M841-V845 PolarHBondContact O-N 3.06Å; F843-V845 VanDerWaalsContact C-N 3.32Å; F843-V845 PolarHBondContact O-N 3.2Å; V845-C847 VanDerWaalsContact C-N 3.34Å; V845-C847 PolarHBondContact O-N 3.14Å; V845-V848 PolarHBondContact O-N 3.4Å; V845-I849 HydrophobicContact CG1-CD1 3.67Å; V845-I849 HydrophobicContact CG1-CG1 4.27Å; V845-I849 VanDerWaalsContact O-CG1 3.31Å; V845-I849 WeakPolarHBondContact O-CG1 3.35Å; V845-I849 PolarHBondContact O-N 3.03Å; V845-F933 HydrophobicContact CG2-CD1 4.48Å; V845-F933 HydrophobicContact CG2-CE1 3.42Å; V845-F933 VanDerWaalsContact CG2-CE1 3.42Å; V845-F933 HydrophobicContact CG2-CZ 3.55Å |
| 846 | F | 84.1 | Confident | 81 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.2 | 178.9 | -105.1 | 0 | 0 | 0 | 112 | V842 F843 P844 I849 L850 | V842-F846 WeakPolarHBondContact O-CB 3.36Å; V842-F846 PolarHBondContact O-N 2.93Å; V842-F846 VanDerWaalsContact O-N 3.08Å; F843-F846 WeakPolarHBondContact O-CB 3.47Å; F843-F846 PolarHBondContact O-N 3.38Å; F843-F846 VanDerWaalsContact O-N 3.1Å; P844-F846 VanDerWaalsContact C-N 3.34Å; P844-F846 PolarHBondContact O-N 3.22Å; F846-I849 PolarHBondContact O-N 3.27Å; F846-L850 HydrophobicContact CD1-CD1 4.11Å; F846-L850 HydrophobicContact CE1-CD1 3.62Å; F846-L850 HydrophobicContact CE1-CG 4.34Å; F846-L850 HydrophobicContact CZ-CD1 3.94Å; F846-L850 HydrophobicContact CZ-CD2 4.42Å; F846-L850 HydrophobicContact CZ-CG 4.29Å; F846-L850 WeakPolarHBondContact O-CG 3.26Å; F846-L850 PolarHBondContact O-N 3.29Å |
| 847 | C | 81.4 | Confident | 82 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 173 | -61 | 0 | 0 | 0 | 0 | 112.4 | F843 P844 V845 L850 I851 | F843-C847 PolarHBondContact O-N 3.08Å; F843-C847 VanDerWaalsContact O-N 3.1Å; F843-C847 PolarHBondContact O-SG 3.28Å; P844-C847 WeakPolarHBondContact O-CB 3.28Å; P844-C847 PolarHBondContact O-N 3.46Å; V845-C847 VanDerWaalsContact C-N 3.34Å; V845-C847 PolarHBondContact O-N 3.14Å; C847-L850 PolarHBondContact O-N 2.88Å; C847-I851 WeakPolarHBondContact O-CG1 3.45Å; C847-I851 PolarHBondContact O-N 3.17Å; C847-I851 VanDerWaalsContact O-N 3.1Å |
| 848 | V | 83.3 | Confident | 83.1 | Confident | 25 Ų | 25 | 70 Ų | 70 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | P844 V845 I851 L852 V929 F933 | P844-V848 WeakPolarHBondContact O-CG2 3.29Å; P844-V848 PolarHBondContact O-N 3.41Å; V845-V848 PolarHBondContact O-N 3.4Å; V848-I851 PolarHBondContact O-N 2.93Å; V848-L852 WeakPolarHBondContact O-CB 3.48Å; V848-L852 PolarHBondContact O-N 3.23Å; V848-V929 HydrophobicContact CG1-CG1 4.25Å; V848-F933 HydrophobicContact CG2-CB 4.06Å; V848-F933 HydrophobicContact CG2-CD2 3.86Å; V848-F933 HydrophobicContact CG2-CG 3.86Å |
| 849 | I | 85.8 | Confident | 83.8 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 42% | 0.415 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.6 | -71.3 | 167.6 | 0 | 0 | 0 | 111.1 | V845 F846 I851 L852 I853 | V845-I849 HydrophobicContact CG1-CD1 3.67Å; V845-I849 HydrophobicContact CG1-CG1 4.27Å; V845-I849 VanDerWaalsContact O-CG1 3.31Å; V845-I849 WeakPolarHBondContact O-CG1 3.35Å; V845-I849 PolarHBondContact O-N 3.03Å; F846-I849 PolarHBondContact O-N 3.27Å; I849-I851 PolarHBondContact O-N 3.26Å; I849-L852 PolarHBondContact O-N 2.93Å; I849-I853 HydrophobicContact CG2-CD1 3.82Å; I849-I853 HydrophobicContact CG2-CG1 4.44Å; I849-I853 VanDerWaalsContact O-CG1 3.27Å; I849-I853 WeakPolarHBondContact O-CG1 3.37Å; I849-I853 PolarHBondContact O-N 2.88Å |
| 850 | L | 89.1 | Confident | 84.6 | Confident | 89 Ų | 89 | 59.6 Ų | 59.6 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.5 | -71.6 | 174 | 0 | 0 | 0 | 112 | F846 C847 L852 I853 V854 | F846-L850 HydrophobicContact CD1-CD1 4.11Å; F846-L850 HydrophobicContact CE1-CD1 3.62Å; F846-L850 HydrophobicContact CE1-CG 4.34Å; F846-L850 HydrophobicContact CZ-CD1 3.94Å; F846-L850 HydrophobicContact CZ-CD2 4.42Å; F846-L850 HydrophobicContact CZ-CG 4.29Å; F846-L850 WeakPolarHBondContact O-CG 3.26Å; F846-L850 PolarHBondContact O-N 3.29Å; C847-L850 PolarHBondContact O-N 2.88Å; L850-L852 VanDerWaalsContact C-N 3.35Å; L850-I853 PolarHBondContact O-N 3.39Å; L850-V854 PolarHBondContact O-N 3.47Å |
| 851 | I | 86.9 | Confident | 85.7 | Confident | 81 Ų | 81 | 58.6 Ų | 58.6 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.7 | -68 | 165.1 | 0 | 0 | 0 | 110.8 | C847 V848 I849 I853 V854 F855 V929 | C847-I851 WeakPolarHBondContact O-CG1 3.45Å; C847-I851 PolarHBondContact O-N 3.17Å; C847-I851 VanDerWaalsContact O-N 3.1Å; V848-I851 PolarHBondContact O-N 2.93Å; I849-I851 PolarHBondContact O-N 3.26Å; I851-I853 PolarHBondContact O-N 3.4Å; I851-V854 WeakPolarHBondContact O-CB 3.22Å; I851-V854 PolarHBondContact O-N 3.42Å; I851-F855 HydrophobicContact CG2-CD2 3.97Å; I851-F855 HydrophobicContact CG2-CE2 3.58Å; I851-F855 VanDerWaalsContact O-CD2 3.3Å; I851-F855 WeakPolarHBondContact O-CD2 3.4Å; I851-F855 PolarHBondContact O-N 2.97Å; I851-V929 HydrophobicContact CG2-CG1 4.38Å |
| 852 | L | 87.2 | Confident | 86.5 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 179 | -167.4 | 73.2 | 0 | 0 | 0 | 112.4 | V848 I849 L850 V854 F855 I856 L889 A926 V930 | V848-L852 WeakPolarHBondContact O-CB 3.48Å; V848-L852 PolarHBondContact O-N 3.23Å; I849-L852 PolarHBondContact O-N 2.93Å; L850-L852 VanDerWaalsContact C-N 3.35Å; L852-V854 VanDerWaalsContact C-N 3.28Å; L852-V854 PolarHBondContact O-N 3.35Å; L852-F855 PolarHBondContact O-N 3.26Å; L852-I856 HydrophobicContact CD2-CD1 4.23Å; L852-I856 HydrophobicContact CG-CD1 3.92Å; L852-I856 WeakPolarHBondContact O-CB 3.26Å; L852-I856 WeakPolarHBondContact O-CG1 3.45Å; L852-I856 PolarHBondContact O-N 3.05Å; L852-L889 HydrophobicContact CD1-CD2 3.75Å; L852-L889 HydrophobicContact CD2-CD2 3.7Å; L852-L889 HydrophobicContact CG-CD2 4.14Å; L852-A926 HydrophobicContact CD1-CB 4.01Å; L852-V930 HydrophobicContact CD1-CG2 4.45Å |
| 853 | I | 89.7 | Confident | 87 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 175.4 | -73 | 164.5 | 0 | 0 | 0 | 111.2 | I849 L850 I851 I856 A857 | I849-I853 HydrophobicContact CG2-CD1 3.82Å; I849-I853 HydrophobicContact CG2-CG1 4.44Å; I849-I853 VanDerWaalsContact O-CG1 3.27Å; I849-I853 WeakPolarHBondContact O-CG1 3.37Å; I849-I853 PolarHBondContact O-N 2.88Å; L850-I853 PolarHBondContact O-N 3.39Å; I851-I853 PolarHBondContact O-N 3.4Å; I853-I856 PolarHBondContact O-N 3.37Å; I853-A857 VanDerWaalsContact O-CB 3.29Å; I853-A857 WeakPolarHBondContact O-CB 3.48Å; I853-A857 PolarHBondContact O-N 2.96Å |
| 854 | V | 90.7 | Very high | 87.4 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 59% | 0.588 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L850 I851 L852 A857 S858 | L850-V854 PolarHBondContact O-N 3.47Å; I851-V854 WeakPolarHBondContact O-CB 3.22Å; I851-V854 PolarHBondContact O-N 3.42Å; L852-V854 VanDerWaalsContact C-N 3.28Å; L852-V854 PolarHBondContact O-N 3.35Å; V854-A857 PolarHBondContact O-N 3.19Å; V854-S858 PolarHBondContact O-N 2.98Å; V854-S858 PolarHBondContact O-OG 3.28Å |
| 855 | F | 88.9 | Confident | 87.8 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 29% | 0.285 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 177.6 | -69.7 | -60.8 | 0 | 0 | 0 | 113.5 | I851 L852 S858 Y859 Y922 V925 | I851-F855 HydrophobicContact CG2-CD2 3.97Å; I851-F855 HydrophobicContact CG2-CE2 3.58Å; I851-F855 VanDerWaalsContact O-CD2 3.3Å; I851-F855 WeakPolarHBondContact O-CD2 3.4Å; I851-F855 PolarHBondContact O-N 2.97Å; L852-F855 PolarHBondContact O-N 3.26Å; F855-S858 PolarHBondContact O-OG 2.92Å; F855-Y859 PolarHBondContact O-N 3.22Å; F855-Y922 HydrophobicContact CB-CD2 4.27Å; F855-Y922 HydrophobicContact CB-CE2 4.19Å; F855-V925 HydrophobicContact CD1-CG1 4.24Å; F855-V925 HydrophobicContact CD2-CG1 4.49Å; F855-V925 HydrophobicContact CE1-CG1 3.69Å; F855-V925 HydrophobicContact CE2-CG1 3.96Å; F855-V925 HydrophobicContact CZ-CG1 3.53Å |
| 856 | I | 91.2 | Very high | 87.9 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 172.4 | -77.1 | 164.6 | 0 | 0 | 0 | 110.2 | L852 I853 G860 F882 P885 F886 Y922 | L852-I856 HydrophobicContact CD2-CD1 4.23Å; L852-I856 HydrophobicContact CG-CD1 3.92Å; L852-I856 WeakPolarHBondContact O-CB 3.26Å; L852-I856 WeakPolarHBondContact O-CG1 3.45Å; L852-I856 PolarHBondContact O-N 3.05Å; I853-I856 PolarHBondContact O-N 3.37Å; I856-G860 WeakPolarHBondContact O-CA 3.48Å; I856-G860 PolarHBondContact O-N 3.46Å; I856-F882 HydrophobicContact CG2-CD1 4.1Å; I856-P885 HydrophobicContact CG2-CB 4.3Å; I856-F886 HydrophobicContact CD1-CB 4.25Å; I856-F886 HydrophobicContact CD1-CD2 4Å; I856-Y922 HydrophobicContact CG1-CE2 4.32Å; I856-Y922 WeakPolarHBondContact CG1-OH 3.25Å |
| 857 | A | 91.1 | Very high | 87.7 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I853 V854 G860 V861 F882 | I853-A857 VanDerWaalsContact O-CB 3.29Å; I853-A857 WeakPolarHBondContact O-CB 3.48Å; I853-A857 PolarHBondContact O-N 2.96Å; V854-A857 PolarHBondContact O-N 3.19Å; A857-G860 PolarHBondContact O-N 2.89Å; A857-V861 WeakPolarHBondContact O-CB 3.34Å; A857-V861 WeakPolarHBondContact O-CG2 3.31Å; A857-V861 PolarHBondContact O-N 3.15Å; A857-F882 HydrophobicContact CB-CE1 3.95Å; A857-F882 HydrophobicContact CB-CZ 4.43Å |
| 858 | S | 92 | Very high | 87.6 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | -177.5 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | V854 F855 L862 | V854-S858 PolarHBondContact O-N 2.98Å; V854-S858 PolarHBondContact O-OG 3.28Å; F855-S858 PolarHBondContact O-OG 2.92Å; S858-L862 WeakPolarHBondContact O-CB 3.39Å; S858-L862 PolarHBondContact O-N 3.34Å |
| 859 | Y | 91.4 | Very high | 87.3 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.3 | -36.7 | 174.5 | 173.7 | -110.9 | 0 | 0 | 0 | 112.2 | F855 L862 R863 P885 M888 F918 A919 Y922 | F855-Y859 PolarHBondContact O-N 3.22Å; Y859-L862 PolarHBondContact O-N 2.98Å; Y859-R863 HydrophobicContact CE2-CB 4.48Å; Y859-R863 VanDerWaalsContact O-CB 3.3Å; Y859-R863 WeakPolarHBondContact O-CB 3.46Å; Y859-R863 PolarHBondContact O-N 3.42Å; Y859-P885 HydrophobicContact CD1-CB 3.95Å; Y859-P885 HydrophobicContact CD1-CG 3.99Å; Y859-P885 HydrophobicContact CE1-CB 4.41Å; Y859-P885 HydrophobicContact CE1-CG 4.31Å; Y859-M888 HydrophobicContact CE1-SD 3.93Å; Y859-F918 HydrophobicContact CD2-CB 4.3Å; Y859-F918 HydrophobicContact CE2-CB 4.45Å; Y859-A919 HydrophobicContact CE2-CB 3.9Å; Y859-A919 WeakPolarHBondContact OH-CB 3.28Å; Y859-Y922 AromaticContact CD1-CD1 3.64Å; Y859-Y922 HydrophobicContact CD1-CD1 3.64Å; Y859-Y922 HydrophobicContact CD1-CD2 4.49Å; Y859-Y922 AromaticContact CD1-CE1 3.98Å; Y859-Y922 HydrophobicContact CD1-CE1 3.98Å; Y859-Y922 AromaticContact CD1-CG 3.93Å; Y859-Y922 HydrophobicContact CD1-CG 3.93Å; Y859-Y922 HydrophobicContact CE1-CD1 4.11Å; Y859-Y922 HydrophobicContact CE1-CE1 4.45Å; Y859-Y922 HydrophobicContact CG-CD1 4.06Å; Y859-Y922 HydrophobicContact CG-CD2 4.39Å; Y859-Y922 AromaticContact CG-CG 3.88Å; Y859-Y922 HydrophobicContact CG-CG 3.88Å |
| 860 | G | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | I856 A857 Q864 I881 | I856-G860 WeakPolarHBondContact O-CA 3.48Å; I856-G860 PolarHBondContact O-N 3.46Å; A857-G860 PolarHBondContact O-N 2.89Å; G860-Q864 WeakPolarHBondContact O-CB 3.49Å; G860-Q864 PolarHBondContact O-N 2.91Å; G860-I881 VanDerWaalsContact CA-O 3.26Å; G860-I881 WeakPolarHBondContact CA-O 3.28Å |
| 861 | V | 91.5 | Very high | 86.4 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | A857 Q864 S865 I881 | A857-V861 WeakPolarHBondContact O-CB 3.34Å; A857-V861 WeakPolarHBondContact O-CG2 3.31Å; A857-V861 PolarHBondContact O-N 3.15Å; V861-Q864 PolarHBondContact O-N 2.78Å; V861-S865 WeakPolarHBondContact O-CB 3.4Å; V861-S865 PolarHBondContact O-N 3.26Å; V861-S865 PolarHBondContact O-OG 3.49Å; V861-I881 HydrophobicContact CG2-CG2 3.84Å |
| 862 | L | 89.5 | Confident | 86.1 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.3 | -53.8 | 175.7 | 179.6 | 68.8 | 0 | 0 | 0 | 111.3 | S858 Y859 Q864 S865 I866 F918 | S858-L862 WeakPolarHBondContact O-CB 3.39Å; S858-L862 PolarHBondContact O-N 3.34Å; Y859-L862 PolarHBondContact O-N 2.98Å; L862-Q864 PolarHBondContact O-N 2.91Å; L862-S865 PolarHBondContact O-N 2.7Å; L862-S865 PolarHBondContact O-OG 2.99Å; L862-I866 HydrophobicContact CD1-CD1 4Å; L862-I866 HydrophobicContact CG-CD1 4.24Å; L862-I866 PolarHBondContact O-N 3.2Å; L862-F918 HydrophobicContact CD2-CB 3.71Å; L862-F918 HydrophobicContact CD2-CD1 3.97Å; L862-F918 HydrophobicContact CD2-CD2 3.62Å; L862-F918 HydrophobicContact CD2-CE2 4.2Å; L862-F918 HydrophobicContact CD2-CG 3.49Å; L862-F918 VanDerWaalsContact CD2-CG 3.49Å |
| 863 | R | 86.5 | Confident | 85.9 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 6% | 0.064 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.8 | -49.7 | 178.6 | -178.8 | -169.6 | 164.4 | -66.8 | -2.7 | 111.2 | Y859 S865 I866 L867 E897 I915 | Y859-R863 HydrophobicContact CE2-CB 4.48Å; Y859-R863 VanDerWaalsContact O-CB 3.3Å; Y859-R863 WeakPolarHBondContact O-CB 3.46Å; Y859-R863 PolarHBondContact O-N 3.42Å; R863-S865 VanDerWaalsContact C-N 3.32Å; R863-S865 PolarHBondContact O-N 3.38Å; R863-I866 PolarHBondContact O-N 3.13Å; R863-L867 HydrophobicContact CG-CD1 3.61Å; R863-L867 PolarHBondContact O-N 3.34Å; R863-E897 IonicContact CZ-OE2 3.96Å; R863-E897 IonicContact NH2-OE1 3.16Å; R863-E897 IonicContact NH2-OE2 3.01Å; R863-E897 PolarHBondContact NH2-OE2 3.43Å; R863-I915 HydrophobicContact CG-CG2 4.2Å |
| 864 | Q | 86.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | -178.2 | -167.5 | 61 | 19 | 0 | 0 | 112.5 | G860 V861 L862 I866 D868 T877 N880 I881 | G860-Q864 WeakPolarHBondContact O-CB 3.49Å; G860-Q864 PolarHBondContact O-N 2.91Å; V861-Q864 PolarHBondContact O-N 2.78Å; L862-Q864 PolarHBondContact O-N 2.91Å; Q864-I866 VanDerWaalsContact C-N 3.3Å; Q864-I866 PolarHBondContact O-N 3.1Å; Q864-D868 PolarHBondContact NE2-OD2 3.1Å; Q864-D868 PolarHBondContact O-N 3.08Å; Q864-D868 VanDerWaalsContact O-N 3.09Å; Q864-D868 PolarHBondContact OE1-OD2 2.99Å; Q864-T877 HydrophobicContact CG-CG2 3.92Å; Q864-N880 PolarHBondContact NE2-ND2 3.04Å; Q864-N880 PolarHBondContact OE1-ND2 3.2Å; Q864-I881 HydrophobicContact CB-CD1 4.48Å; Q864-I881 HydrophobicContact CB-CG1 3.77Å; Q864-I881 HydrophobicContact CG-CD1 4.44Å; Q864-I881 HydrophobicContact CG-CG1 4.05Å |
| 865 | S | 85.9 | Confident | 85.4 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.7 | -23.8 | -179.4 | 69.5 | 0 | 0 | 0 | 0 | 114.6 | V861 L862 R863 | V861-S865 WeakPolarHBondContact O-CB 3.4Å; V861-S865 PolarHBondContact O-N 3.26Å; V861-S865 PolarHBondContact O-OG 3.49Å; L862-S865 PolarHBondContact O-N 2.7Å; L862-S865 PolarHBondContact O-OG 2.99Å; R863-S865 VanDerWaalsContact C-N 3.32Å; R863-S865 PolarHBondContact O-N 3.38Å |
| 866 | I | 83.8 | Confident | 85.1 | Confident | 27 Ų | 27 | 78 Ų | 78 | 14% | 0.138 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -92.1 | -40.7 | 179.3 | -59.9 | 169.8 | 0 | 0 | 0 | 111.1 | L862 R863 Q864 E912 I915 | L862-I866 HydrophobicContact CD1-CD1 4Å; L862-I866 HydrophobicContact CG-CD1 4.24Å; L862-I866 PolarHBondContact O-N 3.2Å; R863-I866 PolarHBondContact O-N 3.13Å; Q864-I866 VanDerWaalsContact C-N 3.3Å; Q864-I866 PolarHBondContact O-N 3.1Å; I866-E912 HydrophobicContact CG2-CG 4.31Å; I866-I915 HydrophobicContact CB-CD1 4Å; I866-I915 HydrophobicContact CB-CG1 4.27Å; I866-I915 HydrophobicContact CD1-CG1 4.04Å; I866-I915 HydrophobicContact CG2-CD1 3.79Å; I866-I915 HydrophobicContact CG2-CG1 4.13Å |
| 867 | L | 78.7 | Confident | 84.9 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -74.2 | -47 | -178.5 | -87.2 | 147.9 | 0 | 0 | 0 | 113.5 | R863 P869 I900 I915 | R863-L867 HydrophobicContact CG-CD1 3.61Å; R863-L867 PolarHBondContact O-N 3.34Å; L867-P869 WeakPolarHBondContact O-CD 3.49Å; L867-I900 HydrophobicContact CD2-CD1 3.49Å; L867-I900 VanDerWaalsContact CD2-CD1 3.49Å; L867-I915 HydrophobicContact CD1-CD1 3.89Å; L867-I915 HydrophobicContact CG-CD1 3.88Å |
| 868 | D | 79.1 | Confident | 84.7 | Confident | 72 Ų | 72 | 80.8 Ų | 80.8 | 39% | 0.385 | 39% | 0.394 | S | S | . | . | trans | -124.2 | 58.5 | -172.5 | -61.6 | -61.3 | 0 | 0 | 0 | 111.9 | Q864 I870 E871 | Q864-D868 PolarHBondContact NE2-OD2 3.1Å; Q864-D868 PolarHBondContact O-N 3.08Å; Q864-D868 VanDerWaalsContact O-N 3.09Å; Q864-D868 PolarHBondContact OE1-OD2 2.99Å; D868-I870 PolarHBondContact O-N 3.46Å; D868-E871 HydrophobicContact CB-CB 4.11Å; D868-E871 PolarHBondContact O-N 3.49Å; D868-E871 VanDerWaalsContact O-N 3.15Å | ||
| 869 | P | 77.1 | Confident | 84.5 | Confident | 83 Ų | 83 | 82 Ų | 82 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8 | -167.2 | 24.2 | -34.7 | 0 | 0 | 0 | 116 | L867 L909 | L867-P869 WeakPolarHBondContact O-CD 3.49Å; P869-L909 HydrophobicContact CG-CD2 4.05Å |
| 870 | I | 78.3 | Confident | 84.1 | Confident | 160 Ų | 160 | 82.5 Ų | 82.5 | 82% | 0.821 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 7.7 | -176.8 | -31.9 | -178.1 | 0 | 0 | 0 | 112.1 | D868 K872 | D868-I870 PolarHBondContact O-N 3.46Å; I870-K872 PolarHBondContact O-N 3.03Å |
| 871 | E | 77.7 | Confident | 84.1 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | trans | -70.9 | 130.7 | 178.9 | -156.9 | -161.3 | -163 | 0 | 0 | 111.7 | D868 T877 | D868-E871 HydrophobicContact CB-CB 4.11Å; D868-E871 PolarHBondContact O-N 3.49Å; D868-E871 VanDerWaalsContact O-N 3.15Å; E871-T877 WeakPolarHBondContact OE2-CB 3.34Å; E871-T877 PolarHBondContact OE2-OG1 3.36Å | ||
| 872 | K | 82.3 | Confident | 84.1 | Confident | 178 Ų | 178 | 83.7 Ų | 83.7 | 77% | 0.774 | 40% | 0.395 | S | S | * | . | trans | -71.2 | 143.8 | 173.1 | -64.8 | -179.6 | -179.1 | 177.5 | 0 | 110.2 | I870 N874 T877 | I870-K872 PolarHBondContact O-N 3.03Å; K872-N874 PolarHBondContact O-N 3.03Å; K872-N874 PolarHBondContact O-ND2 3.43Å; K872-T877 PolarHBondContact O-OG1 2.7Å | ||
| 873 | W | 81.7 | Confident | 84.1 | Confident | 210 Ų | 210 | 87.3 Ų | 87.3 | 80% | 0.795 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -53.9 | 108.5 | -178.3 | -178.1 | 82.1 | 0 | 0 | 0 | 112.2 | M878 | W873-M878 HydrophobicContact CZ2-CG 4.5Š|
| 874 | N | 86 | Confident | 84.1 | Confident | 83 Ų | 83 | 89.1 Ų | 89.1 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | trans | -127.1 | 166.2 | 179.4 | -78.4 | -52 | 0 | 0 | 0 | 110.5 | K872 K876 T877 M878 | K872-N874 PolarHBondContact O-N 3.03Å; K872-N874 PolarHBondContact O-ND2 3.43Å; N874-K876 PolarHBondContact O-N 3.37Å; N874-T877 PolarHBondContact N-OG1 3.02Å; N874-T877 WeakPolarHBondContact O-CB 3.38Å; N874-T877 PolarHBondContact O-N 2.86Å; N874-T877 PolarHBondContact O-OG1 2.91Å; N874-M878 PolarHBondContact O-N 3.15Å | ||
| 875 | R | 84.8 | Confident | 84.1 | Confident | 222 Ų | 222 | 88.6 Ų | 88.6 | 84% | 0.838 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58 | -34.1 | 171.4 | -176.3 | 174.3 | 173.7 | 172.2 | -1.3 | 112.3 | M878 E879 | R875-M878 PolarHBondContact O-N 3.12Å; R875-E879 PolarHBondContact O-N 3.05Å |
| 876 | K | 83.1 | Confident | 84.3 | Confident | 146 Ų | 146 | 89.5 Ų | 89.5 | 64% | 0.635 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 172.3 | -99.7 | -173.3 | 169.6 | -172.1 | 0 | 112.5 | N874 M878 E879 N880 | N874-K876 PolarHBondContact O-N 3.37Å; K876-M878 VanDerWaalsContact C-N 3.33Å; K876-M878 PolarHBondContact O-N 3.47Å; K876-E879 WeakPolarHBondContact O-CB 3.43Å; K876-E879 PolarHBondContact O-N 3.4Å; K876-E879 VanDerWaalsContact O-N 3.1Å; K876-N880 PolarHBondContact O-N 3.42Å |
| 877 | T | 86.1 | Confident | 84.4 | Confident | 14 Ų | 14 | 89.1 Ų | 89.1 | 9% | 0.086 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 178 | -33.4 | 0 | 0 | 0 | 0 | 111 | Q864 E871 K872 N874 E879 N880 I881 | Q864-T877 HydrophobicContact CG-CG2 3.92Å; E871-T877 WeakPolarHBondContact OE2-CB 3.34Å; E871-T877 PolarHBondContact OE2-OG1 3.36Å; K872-T877 PolarHBondContact O-OG1 2.7Å; N874-T877 PolarHBondContact N-OG1 3.02Å; N874-T877 WeakPolarHBondContact O-CB 3.38Å; N874-T877 PolarHBondContact O-N 2.86Å; N874-T877 PolarHBondContact O-OG1 2.91Å; T877-E879 PolarHBondContact O-N 2.92Å; T877-N880 PolarHBondContact O-N 3.35Å; T877-I881 HydrophobicContact CG2-CD1 4.33Å; T877-I881 WeakPolarHBondContact O-CD1 3.14Å; T877-I881 VanDerWaalsContact O-CG1 3.26Å; T877-I881 WeakPolarHBondContact O-CG1 3.44Å; T877-I881 PolarHBondContact O-N 3.47Å |
| 878 | M | 86 | Confident | 84.7 | Confident | 81 Ų | 81 | 88 Ų | 88 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 173.3 | -76.3 | -69.2 | -65.8 | 0 | 0 | 113.2 | W873 N874 R875 K876 I881 F882 | W873-M878 HydrophobicContact CZ2-CG 4.5Å; N874-M878 PolarHBondContact O-N 3.15Å; R875-M878 PolarHBondContact O-N 3.12Å; K876-M878 VanDerWaalsContact C-N 3.33Å; K876-M878 PolarHBondContact O-N 3.47Å; M878-I881 PolarHBondContact O-N 3.29Å; M878-F882 HydrophobicContact CE-CD2 3.84Å; M878-F882 HydrophobicContact CE-CE2 3.63Å; M878-F882 PolarHBondContact O-N 3.29Å; M878-F882 HydrophobicContact SD-CD2 4.39Å; M878-F882 HydrophobicContact SD-CE2 4.08Å |
| 879 | E | 88.3 | Confident | 85 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.9 | -168.6 | 176.2 | 152.3 | 0 | 0 | 111.4 | R875 K876 T877 I881 Y883 R884 | R875-E879 PolarHBondContact O-N 3.05Å; K876-E879 WeakPolarHBondContact O-CB 3.43Å; K876-E879 PolarHBondContact O-N 3.4Å; K876-E879 VanDerWaalsContact O-N 3.1Å; T877-E879 PolarHBondContact O-N 2.92Å; E879-I881 VanDerWaalsContact C-N 3.34Å; E879-I881 PolarHBondContact O-N 2.91Å; E879-Y883 HydrophobicContact CG-CD1 3.95Å; E879-Y883 HydrophobicContact CG-CG 4.33Å; E879-Y883 WeakPolarHBondContact O-CA 3.43Å; E879-Y883 VanDerWaalsContact O-CB 3.26Å; E879-Y883 WeakPolarHBondContact O-CB 3.5Å; E879-Y883 PolarHBondContact O-N 3.31Å; E879-R884 PolarHBondContact O-N 3.45Å |
| 880 | N | 83.4 | Confident | 85.3 | Confident | 20 Ų | 20 | 87.8 Ų | 87.8 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.2 | -71.5 | -13.7 | 0 | 0 | 0 | 112.6 | Q864 K876 T877 R884 P885 | Q864-N880 PolarHBondContact NE2-ND2 3.04Å; Q864-N880 PolarHBondContact OE1-ND2 3.2Å; K876-N880 PolarHBondContact O-N 3.42Å; T877-N880 PolarHBondContact O-N 3.35Å; N880-R884 PolarHBondContact OD1-NE 3.12Å; N880-P885 WeakPolarHBondContact O-CD 3.4Å |
| 881 | I | 90.4 | Very high | 85.2 | Confident | 25 Ų | 25 | 83.2 Ų | 83.2 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 179.6 | -69.5 | 164.2 | 0 | 0 | 0 | 111.6 | G860 V861 Q864 T877 M878 E879 P885 | G860-I881 VanDerWaalsContact CA-O 3.26Å; G860-I881 WeakPolarHBondContact CA-O 3.28Å; V861-I881 HydrophobicContact CG2-CG2 3.84Å; Q864-I881 HydrophobicContact CB-CD1 4.48Å; Q864-I881 HydrophobicContact CB-CG1 3.77Å; Q864-I881 HydrophobicContact CG-CD1 4.44Å; Q864-I881 HydrophobicContact CG-CG1 4.05Å; T877-I881 HydrophobicContact CG2-CD1 4.33Å; T877-I881 WeakPolarHBondContact O-CD1 3.14Å; T877-I881 VanDerWaalsContact O-CG1 3.26Å; T877-I881 WeakPolarHBondContact O-CG1 3.44Å; T877-I881 PolarHBondContact O-N 3.47Å; M878-I881 PolarHBondContact O-N 3.29Å; E879-I881 VanDerWaalsContact C-N 3.34Å; E879-I881 PolarHBondContact O-N 2.91Å; I881-P885 WeakPolarHBondContact O-CD 3.45Å; I881-P885 VanDerWaalsContact O-CG 3.32Å; I881-P885 WeakPolarHBondContact O-CG 3.31Å |
| 882 | F | 91 | Very high | 85.2 | Confident | 81 Ų | 81 | 86.7 Ų | 86.7 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -101.1 | -43 | -171.6 | -71.4 | -81.3 | 0 | 0 | 0 | 114.4 | I856 A857 M878 F886 | I856-F882 HydrophobicContact CG2-CD1 4.1Å; A857-F882 HydrophobicContact CB-CE1 3.95Å; A857-F882 HydrophobicContact CB-CZ 4.43Å; M878-F882 HydrophobicContact CE-CD2 3.84Å; M878-F882 HydrophobicContact CE-CE2 3.63Å; M878-F882 PolarHBondContact O-N 3.29Å; M878-F882 HydrophobicContact SD-CD2 4.39Å; M878-F882 HydrophobicContact SD-CE2 4.08Å; F882-F886 WeakPolarHBondContact O-CB 3.32Å; F882-F886 PolarHBondContact O-N 3.37Å |
| 883 | Y | 88.4 | Confident | 84.7 | Confident | 129 Ų | 129 | 81.1 Ų | 81.1 | 51% | 0.506 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -79.7 | -41.5 | -170.3 | 178.6 | -113.9 | 0 | 0 | 0 | 112.2 | E879 F886 V887 | E879-Y883 HydrophobicContact CG-CD1 3.95Å; E879-Y883 HydrophobicContact CG-CG 4.33Å; E879-Y883 WeakPolarHBondContact O-CA 3.43Å; E879-Y883 VanDerWaalsContact O-CB 3.26Å; E879-Y883 WeakPolarHBondContact O-CB 3.5Å; E879-Y883 PolarHBondContact O-N 3.31Å; Y883-F886 PolarHBondContact O-N 2.97Å; Y883-V887 HydrophobicContact CD1-CG2 4.46Å; Y883-V887 HydrophobicContact CD2-CG2 4.11Å; Y883-V887 HydrophobicContact CE1-CG2 4.1Å; Y883-V887 HydrophobicContact CE2-CG2 3.72Å; Y883-V887 HydrophobicContact CG-CG2 4.46Å; Y883-V887 WeakPolarHBondContact O-CG2 3.48Å; Y883-V887 PolarHBondContact O-N 3.22Å |
| 884 | R | 86.5 | Confident | 84 | Confident | 55 Ų | 55 | 75 Ų | 75 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62 | -49.7 | 178.6 | -68.9 | 178.6 | 176.2 | -103.7 | 28.1 | 113.2 | E879 N880 F886 V887 M888 Y894 E897 | E879-R884 PolarHBondContact O-N 3.45Å; N880-R884 PolarHBondContact OD1-NE 3.12Å; R884-F886 VanDerWaalsContact C-N 3.3Å; R884-F886 PolarHBondContact O-N 2.91Å; R884-V887 PolarHBondContact O-N 2.79Å; R884-M888 WeakPolarHBondContact O-CB 3.42Å; R884-M888 PolarHBondContact O-N 3.46Å; R884-Y894 HydrophobicContact CB-CE2 4.46Å; R884-Y894 HydrophobicContact CG-CE2 4.49Å; R884-E897 IonicContact CZ-OE1 3.29Å; R884-E897 IonicContact CZ-OE2 3.96Å; R884-E897 IonicContact NH1-OE1 2.7Å; R884-E897 PolarHBondContact NH1-OE1 3.33Å; R884-E897 IonicContact NH1-OE2 2.76Å; R884-E897 PolarHBondContact NH1-OE2 2.99Å; R884-E897 IonicContact NH2-OE1 3.33Å; R884-E897 PolarHBondContact NH2-OE1 2.84Å; R884-E897 IonicContact NH2-OE2 3.05Å |
| 885 | P | 88.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -33.6 | 173.6 | -30 | 39.6 | 0 | 0 | 0 | 114.9 | I856 Y859 N880 I881 M888 L889 Y922 | I856-P885 HydrophobicContact CG2-CB 4.3Å; Y859-P885 HydrophobicContact CD1-CB 3.95Å; Y859-P885 HydrophobicContact CD1-CG 3.99Å; Y859-P885 HydrophobicContact CE1-CB 4.41Å; Y859-P885 HydrophobicContact CE1-CG 4.31Å; N880-P885 WeakPolarHBondContact O-CD 3.4Å; I881-P885 WeakPolarHBondContact O-CD 3.45Å; I881-P885 VanDerWaalsContact O-CG 3.32Å; I881-P885 WeakPolarHBondContact O-CG 3.31Å; P885-M888 PolarHBondContact O-N 3.3Å; P885-L889 PolarHBondContact O-N 3.33Å; P885-Y922 HydrophobicContact CB-CE1 4.44Å; P885-Y922 PolarHBondContact O-OH 3.43Å |
| 886 | F | 89.3 | Confident | 81 | Confident | 85 Ų | 85 | 76 Ų | 76 | 37% | 0.373 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 176 | 173.8 | -96.7 | 0 | 0 | 0 | 111.8 | I856 F882 Y883 R884 M888 L889 H890 | I856-F886 HydrophobicContact CD1-CB 4.25Å; I856-F886 HydrophobicContact CD1-CD2 4Å; F882-F886 WeakPolarHBondContact O-CB 3.32Å; F882-F886 PolarHBondContact O-N 3.37Å; Y883-F886 PolarHBondContact O-N 2.97Å; R884-F886 VanDerWaalsContact C-N 3.3Å; R884-F886 PolarHBondContact O-N 2.91Å; F886-M888 VanDerWaalsContact C-N 3.33Å; F886-L889 WeakPolarHBondContact O-CB 3.29Å; F886-L889 PolarHBondContact O-N 3.05Å; F886-H890 AromaticContact CE2-CE1 3.76Å; F886-H890 AromaticContact CZ-CE1 3.56Å; F886-H890 AromaticContact CZ-NE2 3.6Å; F886-H890 PolarHBondContact O-ND1 3.26Å |
| 887 | V | 86.6 | Confident | 79.7 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | Y883 R884 L889 H890 K892 Y894 | Y883-V887 HydrophobicContact CD1-CG2 4.46Å; Y883-V887 HydrophobicContact CD2-CG2 4.11Å; Y883-V887 HydrophobicContact CE1-CG2 4.1Å; Y883-V887 HydrophobicContact CE2-CG2 3.72Å; Y883-V887 HydrophobicContact CG-CG2 4.46Å; Y883-V887 WeakPolarHBondContact O-CG2 3.48Å; Y883-V887 PolarHBondContact O-N 3.22Å; R884-V887 PolarHBondContact O-N 2.79Å; V887-L889 VanDerWaalsContact C-N 3.32Å; V887-L889 PolarHBondContact O-N 2.93Å; V887-H890 PolarHBondContact O-N 2.99Å; V887-K892 HydrophobicContact CG1-CB 3.64Å; V887-K892 HydrophobicContact CG1-CD 4.27Å; V887-Y894 HydrophobicContact CB-CE2 4.32Å; V887-Y894 HydrophobicContact CG1-CE2 3.97Å |
| 888 | M | 84.9 | Confident | 78.4 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -36 | 176.2 | -166.6 | 172.6 | -173.9 | 0 | 0 | 112.8 | Y859 R884 P885 F886 H890 G891 K892 V893 L898 A919 L923 | Y859-M888 HydrophobicContact CE1-SD 3.93Å; R884-M888 WeakPolarHBondContact O-CB 3.42Å; R884-M888 PolarHBondContact O-N 3.46Å; P885-M888 PolarHBondContact O-N 3.3Å; F886-M888 VanDerWaalsContact C-N 3.33Å; M888-H890 PolarHBondContact O-N 2.93Å; M888-G891 PolarHBondContact O-N 2.9Å; M888-K892 WeakPolarHBondContact CA-O 3.31Å; M888-V893 HydrophobicContact CE-CG1 4.16Å; M888-V893 HydrophobicContact CE-CG2 4.17Å; M888-V893 HydrophobicContact CG-CG2 4.4Å; M888-L898 HydrophobicContact CE-CD1 4.31Å; M888-A919 HydrophobicContact CE-CB 3.73Å; M888-L923 HydrophobicContact CE-CD1 4.13Å; M888-L923 HydrophobicContact CG-CD2 4.44Å |
| 889 | L | 85.2 | Confident | 76.9 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 10% | 0.099 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.4 | -29 | 172.5 | -174 | 71.4 | 0 | 0 | 0 | 112.7 | L852 P885 F886 V887 G891 A926 | L852-L889 HydrophobicContact CD1-CD2 3.75Å; L852-L889 HydrophobicContact CD2-CD2 3.7Å; L852-L889 HydrophobicContact CG-CD2 4.14Å; P885-L889 PolarHBondContact O-N 3.33Å; F886-L889 WeakPolarHBondContact O-CB 3.29Å; F886-L889 PolarHBondContact O-N 3.05Å; V887-L889 VanDerWaalsContact C-N 3.32Å; V887-L889 PolarHBondContact O-N 2.93Å; L889-G891 PolarHBondContact O-N 2.96Å; L889-A926 HydrophobicContact CD1-CB 3.56Å |
| 890 | H | 82 | Confident | 75.3 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 61% | 0.611 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 16.2 | 176.7 | -67.9 | 27.4 | 0 | 0 | 0 | 112.9 | F886 V887 M888 K892 | F886-H890 AromaticContact CE2-CE1 3.76Å; F886-H890 AromaticContact CZ-CE1 3.56Å; F886-H890 AromaticContact CZ-NE2 3.6Å; F886-H890 PolarHBondContact O-ND1 3.26Å; V887-H890 PolarHBondContact O-N 2.99Å; M888-H890 PolarHBondContact O-N 2.93Å; H890-K892 VanDerWaalsContact C-N 3.33Å; H890-K892 PolarHBondContact O-N 3.18Å |
| 891 | G | 78.1 | Confident | 74.1 | Confident | 63 Ų | 63 | 74 Ų | 74 | 65% | 0.649 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -0.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M888 L889 V893 | M888-G891 PolarHBondContact O-N 2.9Å; L889-G891 PolarHBondContact O-N 2.96Å; G891-V893 PolarHBondContact O-N 3.37Å; G891-V893 VanDerWaalsContact O-N 3.14Å |
| 892 | K | 77.8 | Confident | 72.5 | Confident | 150 Ų | 150 | 76.9 Ų | 76.9 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | trans | -84.2 | 81.4 | 170.1 | -83.9 | -164 | 170.9 | -165.5 | 0 | 110.6 | V887 M888 H890 | V887-K892 HydrophobicContact CG1-CB 3.64Å; V887-K892 HydrophobicContact CG1-CD 4.27Å; M888-K892 WeakPolarHBondContact CA-O 3.31Å; H890-K892 VanDerWaalsContact C-N 3.33Å; H890-K892 PolarHBondContact O-N 3.18Å | ||
| 893 | V | 70.8 | Confident | 70.7 | Confident | 61 Ų | 61 | 80 Ų | 80 | 37% | 0.37 | 40% | 0.402 | S | S | . | . | trans | -69 | 131.1 | 166.2 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | M888 G891 E895 L898 | M888-V893 HydrophobicContact CE-CG1 4.16Å; M888-V893 HydrophobicContact CE-CG2 4.17Å; M888-V893 HydrophobicContact CG-CG2 4.4Å; G891-V893 PolarHBondContact O-N 3.37Å; G891-V893 VanDerWaalsContact O-N 3.14Å; V893-E895 HydrophobicContact CG1-CG 4.44Å; V893-E895 PolarHBondContact O-N 3.39Å; V893-L898 HydrophobicContact CG1-CD1 3.49Å; V893-L898 VanDerWaalsContact CG1-CD1 3.49Å | ||
| 894 | Y | 66.5 | Low | 68.8 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | trans | -85.5 | 82.3 | 175.6 | -69.6 | -91.3 | 0 | 0 | 0 | 109.1 | R884 V887 E896 E897 | R884-Y894 HydrophobicContact CB-CE2 4.46Å; R884-Y894 HydrophobicContact CG-CE2 4.49Å; V887-Y894 HydrophobicContact CB-CE2 4.32Å; V887-Y894 HydrophobicContact CG1-CE2 3.97Å; Y894-E896 PolarHBondContact O-N 3.11Å; Y894-E897 PolarHBondContact O-N 2.92Å | ||
| 895 | E | 54.2 | Low | 66.8 | Low | 155 Ų | 155 | 82.5 Ų | 82.5 | 72% | 0.724 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -55.7 | -37.6 | -174.4 | -63.9 | 176.7 | 159.5 | 0 | 0 | 112.7 | V893 E897 L898 | V893-E895 HydrophobicContact CG1-CG 4.44Å; V893-E895 PolarHBondContact O-N 3.39Å; E895-E897 PolarHBondContact O-N 3.25Å; E895-E897 VanDerWaalsContact O-N 3.15Å; E895-L898 PolarHBondContact O-N 3.43Å |
| 896 | E | 54.6 | Low | 65 | Low | 173 Ų | 173 | 90.6 Ų | 90.6 | 81% | 0.808 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -62.7 | -18.2 | 178.2 | -61.4 | -179.7 | 161.6 | 0 | 0 | 114.2 | Y894 | Y894-E896 PolarHBondContact O-N 3.11Š|
| 897 | E | 55.9 | Low | 63.3 | Low | 51 Ų | 51 | 94.9 Ų | 94.9 | 24% | 0.238 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -108.6 | 0.3 | -176.7 | -62.4 | -178.4 | 165.5 | 0 | 0 | 113.9 | R863 R884 Y894 E895 I900 | R863-E897 IonicContact CZ-OE2 3.96Å; R863-E897 IonicContact NH2-OE1 3.16Å; R863-E897 IonicContact NH2-OE2 3.01Å; R863-E897 PolarHBondContact NH2-OE2 3.43Å; R884-E897 IonicContact CZ-OE1 3.29Å; R884-E897 IonicContact CZ-OE2 3.96Å; R884-E897 IonicContact NH1-OE1 2.7Å; R884-E897 PolarHBondContact NH1-OE1 3.33Å; R884-E897 IonicContact NH1-OE2 2.76Å; R884-E897 PolarHBondContact NH1-OE2 2.99Å; R884-E897 IonicContact NH2-OE1 3.33Å; R884-E897 PolarHBondContact NH2-OE1 2.84Å; R884-E897 IonicContact NH2-OE2 3.05Å; Y894-E897 PolarHBondContact O-N 2.92Å; E895-E897 PolarHBondContact O-N 3.25Å; E895-E897 VanDerWaalsContact O-N 3.15Å; E897-I900 WeakPolarHBondContact O-CD1 3.45Å |
| 898 | L | 58 | Low | 61.9 | Low | 61 Ų | 61 | 96.8 Ų | 96.8 | 32% | 0.319 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -10.2 | 175 | -69.8 | 170.7 | 0 | 0 | 0 | 113 | M888 V893 E895 I915 P916 | M888-L898 HydrophobicContact CE-CD1 4.31Å; V893-L898 HydrophobicContact CG1-CD1 3.49Å; V893-L898 VanDerWaalsContact CG1-CD1 3.49Å; E895-L898 PolarHBondContact O-N 3.43Å; L898-I915 HydrophobicContact CD2-CG2 4.15Å; L898-P916 HydrophobicContact CD2-CG 4.14Å |
| 899 | D | 54 | Low | 60.8 | Low | 74 Ų | 74 | 100.3 Ų | 100.3 | 40% | 0.396 | 53% | 0.529 | S | S | . | . | trans | -118.3 | 26.5 | -170.9 | -170.7 | 43.1 | 0 | 0 | 0 | 112.2 | C901 S902 K903 | D899-C901 PolarHBondContact O-N 2.68Å; D899-S902 PolarHBondContact O-N 3.31Å; D899-S902 WeakPolarHBondContact OD1-CB 3.44Å; D899-K903 IonicContact OD2-NZ 2.72Å; D899-K903 PolarHBondContact OD2-NZ 3.22Å | ||
| 900 | I | 55 | Low | 60 | Low | 57 Ų | 57 | 106.9 Ų | 106.9 | 29% | 0.292 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -60.9 | -43.8 | -170.9 | -64.3 | 173.3 | 0 | 0 | 0 | 111.5 | L867 E897 S902 K903 | L867-I900 HydrophobicContact CD2-CD1 3.49Å; L867-I900 VanDerWaalsContact CD2-CD1 3.49Å; E897-I900 WeakPolarHBondContact O-CD1 3.45Å; I900-S902 PolarHBondContact O-N 3.09Å; I900-K903 PolarHBondContact O-N 3.49Å |
| 901 | C | 59 | Low | 59.5 | Low | 70 Ų | 70 | 101.5 Ų | 101.5 | 47% | 0.473 | 55% | 0.55 | S | S | . | * | G | 310 helix | trans | -68.7 | -5 | -177.5 | -163.2 | 0 | 0 | 0 | 0 | 114 | D899 C908 | D899-C901 PolarHBondContact O-N 2.68Å; C901-C908 WeakPolarHBondContact CA-SG 3.38Å; C901-C908 HydrophobicContact CB-CB 3.92Å; C901-C908 WeakPolarHBondContact CB-SG 3.27Å; C901-C908 WeakPolarHBondContact SG-CB 3.32Å; C901-C908 CovalentContact SG-SG 2.04Å; C901-C908 PolarHBondContact SG-SG 3.33Å |
| 902 | S | 56.2 | Low | 59.2 | Low | 87 Ų | 87 | 100 Ų | 100 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -88.3 | -13.7 | 173.8 | -173.1 | 0 | 0 | 0 | 0 | 114.5 | D899 I900 | D899-S902 PolarHBondContact O-N 3.31Å; D899-S902 WeakPolarHBondContact OD1-CB 3.44Å; I900-S902 PolarHBondContact O-N 3.09Å |
| 903 | K | 52.6 | Low | 59.1 | Low | 145 Ų | 145 | 99.1 Ų | 99.1 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -10.3 | -162 | -73.1 | 171.1 | -174.7 | 144.5 | 0 | 116.7 | D899 I900 | D899-K903 IonicContact OD2-NZ 2.72Å; D899-K903 PolarHBondContact OD2-NZ 3.22Å; I900-K903 PolarHBondContact O-N 3.49Å |
| 904 | T | 48.4 | Very low | 59.6 | Low | 101 Ų | 101 | 100.5 Ų | 100.5 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -133.4 | 123.8 | 179.2 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | E906 | T904-E906 PolarHBondContact O-N 2.84Š|
| 905 | T | 45.7 | Very low | 60.4 | Low | 136 Ų | 136 | 97.1 Ų | 97.1 | 83% | 0.834 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -71.7 | 105.5 | 174.2 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 906 | E | 50.3 | Low | 61.7 | Low | 171 Ų | 171 | 92 Ų | 92 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | S | Bend | 169.4 | -30.6 | 108.6 | -89.6 | -177.1 | 165.8 | 0 | 0 | 112.4 | T904 | T904-E906 PolarHBondContact O-N 2.84Š| |
| 907 | H | 52.9 | Low | 63.1 | Low | 175 Ų | 175 | 88.1 Ų | 88.1 | 81% | 0.81 | 49% | 0.489 | S | S | * | . | trans | -140.4 | 106.7 | 178.6 | -65.9 | -46.6 | 0 | 0 | 0 | 113 | ||||
| 908 | C | 58.7 | Low | 64.6 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | trans | -80.1 | 147 | 165.2 | -48.5 | 0 | 0 | 0 | 0 | 110 | C901 | C901-C908 WeakPolarHBondContact CA-SG 3.38Å; C901-C908 HydrophobicContact CB-CB 3.92Å; C901-C908 WeakPolarHBondContact CB-SG 3.27Å; C901-C908 WeakPolarHBondContact SG-CB 3.32Å; C901-C908 CovalentContact SG-SG 2.04Å; C901-C908 PolarHBondContact SG-SG 3.33Å | ||
| 909 | L | 62 | Low | 65.9 | Low | 88 Ų | 88 | 87 Ų | 87 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | trans | -76.5 | 141.2 | -175.5 | -94.9 | 72.1 | 0 | 0 | 0 | 111.8 | P869 G911 E912 | P869-L909 HydrophobicContact CG-CD2 4.05Å; L909-G911 VanDerWaalsContact C-N 3.32Å; L909-G911 PolarHBondContact O-N 2.86Å; L909-E912 HydrophobicContact CB-CG 3.98Å; L909-E912 PolarHBondContact N-OE2 3.1Å; L909-E912 PolarHBondContact O-N 3.27Å | ||
| 910 | T | 67.8 | Low | 67.4 | Low | 156 Ų | 156 | 88.5 Ų | 88.5 | 96% | 0.957 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 86.8 | 176.2 | 42.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 911 | G | 70.5 | Confident | 69.1 | Low | 20 Ų | 20 | 90.2 Ų | 90.2 | 21% | 0.206 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 151.6 | -16.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L909 N913 L914 | L909-G911 VanDerWaalsContact C-N 3.32Å; L909-G911 PolarHBondContact O-N 2.86Å; G911-N913 VanDerWaalsContact C-N 3.29Å; G911-N913 PolarHBondContact O-N 3.5Å; G911-L914 VanDerWaalsContact O-CB 3.26Å; G911-L914 WeakPolarHBondContact O-CB 3.24Å; G911-L914 PolarHBondContact O-N 3.34Å |
| 912 | E | 72.9 | Confident | 70.5 | Confident | 30 Ų | 30 | 87.4 Ų | 87.4 | 14% | 0.14 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -36.5 | -171.2 | -66.2 | -177.9 | 107.9 | 0 | 0 | 113.5 | I866 L909 L914 I915 P916 | I866-E912 HydrophobicContact CG2-CG 4.31Å; L909-E912 HydrophobicContact CB-CG 3.98Å; L909-E912 PolarHBondContact N-OE2 3.1Å; L909-E912 PolarHBondContact O-N 3.27Å; E912-L914 PolarHBondContact O-N 3.49Å; E912-I915 WeakPolarHBondContact O-CB 3.49Å; E912-I915 WeakPolarHBondContact O-CG1 3.47Å; E912-I915 PolarHBondContact O-N 3.33Å; E912-P916 WeakPolarHBondContact O-CD 3.44Å |
| 913 | N | 75 | Confident | 72 | Confident | 133 Ų | 133 | 85 Ų | 85 | 71% | 0.711 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.4 | 175.6 | -65.7 | -8.4 | 0 | 0 | 0 | 114.2 | G911 T917 | G911-N913 VanDerWaalsContact C-N 3.29Å; G911-N913 PolarHBondContact O-N 3.5Å; N913-T917 PolarHBondContact O-OG1 3.08Å |
| 914 | L | 81.9 | Confident | 73.7 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 47% | 0.466 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.3 | -27.1 | 173.1 | -62.2 | 168.8 | 0 | 0 | 0 | 111.8 | G911 E912 T917 F918 | G911-L914 VanDerWaalsContact O-CB 3.26Å; G911-L914 WeakPolarHBondContact O-CB 3.24Å; G911-L914 PolarHBondContact O-N 3.34Å; E912-L914 PolarHBondContact O-N 3.49Å; L914-T917 WeakPolarHBondContact O-CB 3.34Å; L914-T917 PolarHBondContact O-N 3.3Å; L914-F918 HydrophobicContact CB-CD2 4.04Å; L914-F918 HydrophobicContact CB-CE2 4.19Å; L914-F918 HydrophobicContact CD2-CE2 4.42Å; L914-F918 VanDerWaalsContact O-CD2 3.32Å; L914-F918 WeakPolarHBondContact O-CD2 3.44Å; L914-F918 PolarHBondContact O-N 3.19Å |
| 915 | I | 82.4 | Confident | 75.5 | Confident | 9 Ų | 9 | 81 Ų | 81 | 5% | 0.046 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.6 | -50.2 | -176 | -55.1 | 172.5 | 0 | 0 | 0 | 111.5 | R863 I866 L867 L898 E912 T917 F918 A919 | R863-I915 HydrophobicContact CG-CG2 4.2Å; I866-I915 HydrophobicContact CB-CD1 4Å; I866-I915 HydrophobicContact CB-CG1 4.27Å; I866-I915 HydrophobicContact CD1-CG1 4.04Å; I866-I915 HydrophobicContact CG2-CD1 3.79Å; I866-I915 HydrophobicContact CG2-CG1 4.13Å; L867-I915 HydrophobicContact CD1-CD1 3.89Å; L867-I915 HydrophobicContact CG-CD1 3.88Å; L898-I915 HydrophobicContact CD2-CG2 4.15Å; E912-I915 WeakPolarHBondContact O-CB 3.49Å; E912-I915 WeakPolarHBondContact O-CG1 3.47Å; E912-I915 PolarHBondContact O-N 3.33Å; I915-T917 VanDerWaalsContact C-N 3.29Å; I915-T917 PolarHBondContact O-N 3.4Å; I915-F918 PolarHBondContact O-N 3.47Å; I915-A919 VanDerWaalsContact O-CB 3.25Å; I915-A919 WeakPolarHBondContact O-CB 3.21Å; I915-A919 PolarHBondContact O-N 3.35Å |
| 916 | P | 81.8 | Confident | 77.3 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 31% | 0.312 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | 174.2 | -21.7 | 32.1 | 0 | 0 | 0 | 112.7 | L898 E912 A919 V920 | L898-P916 HydrophobicContact CD2-CG 4.14Å; E912-P916 WeakPolarHBondContact O-CD 3.44Å; P916-A919 WeakPolarHBondContact O-CB 3.39Å; P916-A919 PolarHBondContact O-N 2.93Å; P916-V920 WeakPolarHBondContact O-CG2 3.28Å; P916-V920 PolarHBondContact O-N 2.97Å |
| 917 | T | 83.7 | Confident | 78.9 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.9 | -47.8 | -178.6 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | N913 L914 I915 V920 L921 | N913-T917 PolarHBondContact O-OG1 3.08Å; L914-T917 WeakPolarHBondContact O-CB 3.34Å; L914-T917 PolarHBondContact O-N 3.3Å; I915-T917 VanDerWaalsContact C-N 3.29Å; I915-T917 PolarHBondContact O-N 3.4Å; T917-V920 PolarHBondContact O-N 3.48Å; T917-L921 PolarHBondContact O-N 2.99Å |
| 918 | F | 87.2 | Confident | 80.4 | Confident | 85 Ų | 85 | 64.5 Ų | 64.5 | 37% | 0.373 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.8 | -27.7 | 174.6 | -78.5 | -73.3 | 0 | 0 | 0 | 112.9 | Y859 L862 L914 I915 L921 Y922 | Y859-F918 HydrophobicContact CD2-CB 4.3Å; Y859-F918 HydrophobicContact CE2-CB 4.45Å; L862-F918 HydrophobicContact CD2-CB 3.71Å; L862-F918 HydrophobicContact CD2-CD1 3.97Å; L862-F918 HydrophobicContact CD2-CD2 3.62Å; L862-F918 HydrophobicContact CD2-CE2 4.2Å; L862-F918 HydrophobicContact CD2-CG 3.49Å; L862-F918 VanDerWaalsContact CD2-CG 3.49Å; L914-F918 HydrophobicContact CB-CD2 4.04Å; L914-F918 HydrophobicContact CB-CE2 4.19Å; L914-F918 HydrophobicContact CD2-CE2 4.42Å; L914-F918 VanDerWaalsContact O-CD2 3.32Å; L914-F918 WeakPolarHBondContact O-CD2 3.44Å; L914-F918 PolarHBondContact O-N 3.19Å; I915-F918 PolarHBondContact O-N 3.47Å; F918-L921 HydrophobicContact CD1-CD2 4.2Å; F918-L921 HydrophobicContact CE1-CD2 4.43Å; F918-L921 PolarHBondContact O-N 3.42Å; F918-Y922 VanDerWaalsContact O-CB 3.27Å; F918-Y922 WeakPolarHBondContact O-CB 3.34Å; F918-Y922 PolarHBondContact O-N 2.95Å |
| 919 | A | 85.7 | Confident | 81.6 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y859 M888 I915 P916 Y922 L923 | Y859-A919 HydrophobicContact CE2-CB 3.9Å; Y859-A919 WeakPolarHBondContact OH-CB 3.28Å; M888-A919 HydrophobicContact CE-CB 3.73Å; I915-A919 VanDerWaalsContact O-CB 3.25Å; I915-A919 WeakPolarHBondContact O-CB 3.21Å; I915-A919 PolarHBondContact O-N 3.35Å; P916-A919 WeakPolarHBondContact O-CB 3.39Å; P916-A919 PolarHBondContact O-N 2.93Å; A919-Y922 PolarHBondContact O-N 3.43Å; A919-L923 WeakPolarHBondContact O-CB 3.46Å; A919-L923 WeakPolarHBondContact O-CG 3.39Å; A919-L923 PolarHBondContact O-N 3.38Å |
| 920 | V | 86.9 | Confident | 82.3 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | P916 T917 L923 L924 | P916-V920 WeakPolarHBondContact O-CG2 3.28Å; P916-V920 PolarHBondContact O-N 2.97Å; T917-V920 PolarHBondContact O-N 3.48Å; V920-L923 PolarHBondContact O-N 3.18Å; V920-L924 WeakPolarHBondContact O-CB 3.42Å; V920-L924 PolarHBondContact O-N 2.85Å |
| 921 | L | 89.2 | Confident | 82.9 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 48% | 0.482 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.2 | -177.7 | 61.9 | 0 | 0 | 0 | 112.4 | T917 F918 L924 V925 | T917-L921 PolarHBondContact O-N 2.99Å; F918-L921 HydrophobicContact CD1-CD2 4.2Å; F918-L921 HydrophobicContact CE1-CD2 4.43Å; F918-L921 PolarHBondContact O-N 3.42Å; L921-L924 PolarHBondContact O-N 2.97Å; L921-V925 HydrophobicContact CD1-CG2 4.33Å; L921-V925 WeakPolarHBondContact O-CG2 3.49Å; L921-V925 PolarHBondContact O-N 2.8Å; L921-V925 VanDerWaalsContact O-N 3.08Å |
| 922 | Y | 89.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -51 | 175.3 | 161.2 | -109.4 | 0 | 0 | 0 | 111.6 | F855 I856 Y859 P885 F918 A919 L924 V925 A926 | F855-Y922 HydrophobicContact CB-CD2 4.27Å; F855-Y922 HydrophobicContact CB-CE2 4.19Å; I856-Y922 HydrophobicContact CG1-CE2 4.32Å; I856-Y922 WeakPolarHBondContact CG1-OH 3.25Å; Y859-Y922 AromaticContact CD1-CD1 3.64Å; Y859-Y922 HydrophobicContact CD1-CD1 3.64Å; Y859-Y922 HydrophobicContact CD1-CD2 4.49Å; Y859-Y922 AromaticContact CD1-CE1 3.98Å; Y859-Y922 HydrophobicContact CD1-CE1 3.98Å; Y859-Y922 AromaticContact CD1-CG 3.93Å; Y859-Y922 HydrophobicContact CD1-CG 3.93Å; Y859-Y922 HydrophobicContact CE1-CD1 4.11Å; Y859-Y922 HydrophobicContact CE1-CE1 4.45Å; Y859-Y922 HydrophobicContact CG-CD1 4.06Å; Y859-Y922 HydrophobicContact CG-CD2 4.39Å; Y859-Y922 AromaticContact CG-CG 3.88Å; Y859-Y922 HydrophobicContact CG-CG 3.88Å; P885-Y922 HydrophobicContact CB-CE1 4.44Å; P885-Y922 PolarHBondContact O-OH 3.43Å; F918-Y922 VanDerWaalsContact O-CB 3.27Å; F918-Y922 WeakPolarHBondContact O-CB 3.34Å; F918-Y922 PolarHBondContact O-N 2.95Å; A919-Y922 PolarHBondContact O-N 3.43Å; Y922-L924 VanDerWaalsContact C-N 3.34Å; Y922-L924 PolarHBondContact O-N 3.23Å; Y922-V925 PolarHBondContact O-N 3.42Å; Y922-A926 HydrophobicContact CD2-CB 4.4Å; Y922-A926 HydrophobicContact CE2-CB 4.13Å; Y922-A926 WeakPolarHBondContact O-CB 3.47Å; Y922-A926 PolarHBondContact O-N 2.6Å |
| 923 | L | 86.9 | Confident | 83.4 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | -179.7 | -73.3 | 173.6 | 0 | 0 | 0 | 112.3 | M888 A919 V920 N927 | M888-L923 HydrophobicContact CE-CD1 4.13Å; M888-L923 HydrophobicContact CG-CD2 4.44Å; A919-L923 WeakPolarHBondContact O-CB 3.46Å; A919-L923 WeakPolarHBondContact O-CG 3.39Å; A919-L923 PolarHBondContact O-N 3.38Å; V920-L923 PolarHBondContact O-N 3.18Å; L923-N927 VanDerWaalsContact O-CB 3.24Å; L923-N927 WeakPolarHBondContact O-CB 3.32Å; L923-N927 PolarHBondContact O-N 3.48Å; L923-N927 VanDerWaalsContact O-N 3.16Å; L923-N927 PolarHBondContact O-ND2 3.01Å |
| 924 | L | 87.7 | Confident | 83.1 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 58% | 0.581 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.2 | -55.1 | 174.4 | -175.5 | 80.9 | 0 | 0 | 0 | 110.9 | V920 L921 Y922 T928 | V920-L924 WeakPolarHBondContact O-CB 3.42Å; V920-L924 PolarHBondContact O-N 2.85Å; L921-L924 PolarHBondContact O-N 2.97Å; Y922-L924 VanDerWaalsContact C-N 3.34Å; Y922-L924 PolarHBondContact O-N 3.23Å; L924-T928 VanDerWaalsContact O-CB 3.31Å; L924-T928 WeakPolarHBondContact O-CB 3.24Å; L924-T928 PolarHBondContact O-N 3.24Å; L924-T928 VanDerWaalsContact O-N 3.09Å; L924-T928 PolarHBondContact O-OG1 3.31Å |
| 925 | V | 86.6 | Confident | 82.5 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.2 | -48.4 | -175 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | F855 L921 Y922 N927 T928 V929 | F855-V925 HydrophobicContact CD1-CG1 4.24Å; F855-V925 HydrophobicContact CD2-CG1 4.49Å; F855-V925 HydrophobicContact CE1-CG1 3.69Å; F855-V925 HydrophobicContact CE2-CG1 3.96Å; F855-V925 HydrophobicContact CZ-CG1 3.53Å; L921-V925 HydrophobicContact CD1-CG2 4.33Å; L921-V925 WeakPolarHBondContact O-CG2 3.49Å; L921-V925 PolarHBondContact O-N 2.8Å; L921-V925 VanDerWaalsContact O-N 3.08Å; Y922-V925 PolarHBondContact O-N 3.42Å; V925-N927 PolarHBondContact O-N 2.69Å; V925-T928 PolarHBondContact O-N 3.16Å; V925-V929 WeakPolarHBondContact O-CG2 3.37Å; V925-V929 PolarHBondContact O-N 3.36Å; V925-V929 VanDerWaalsContact O-N 3.11Å |
| 926 | A | 84.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L852 L889 Y922 V929 V930 | L852-A926 HydrophobicContact CD1-CB 4.01Å; L889-A926 HydrophobicContact CD1-CB 3.56Å; Y922-A926 HydrophobicContact CD2-CB 4.4Å; Y922-A926 HydrophobicContact CE2-CB 4.13Å; Y922-A926 WeakPolarHBondContact O-CB 3.47Å; Y922-A926 PolarHBondContact O-N 2.6Å; A926-V929 PolarHBondContact O-N 2.95Å; A926-V930 WeakPolarHBondContact O-CG2 3.22Å; A926-V930 PolarHBondContact O-N 3.32Å |
| 927 | N | 83.6 | Confident | 80.2 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 33% | 0.326 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.8 | -36 | 177.5 | -71.2 | -45.9 | 0 | 0 | 0 | 112.3 | L923 V925 V929 V930 I931 | L923-N927 VanDerWaalsContact O-CB 3.24Å; L923-N927 WeakPolarHBondContact O-CB 3.32Å; L923-N927 PolarHBondContact O-N 3.48Å; L923-N927 VanDerWaalsContact O-N 3.16Å; L923-N927 PolarHBondContact O-ND2 3.01Å; V925-N927 PolarHBondContact O-N 2.69Å; N927-V929 VanDerWaalsContact C-N 3.33Å; N927-V929 PolarHBondContact O-N 3.22Å; N927-V930 PolarHBondContact O-N 3.43Å; N927-I931 WeakPolarHBondContact O-CB 3.38Å; N927-I931 VanDerWaalsContact O-CG1 3.29Å; N927-I931 WeakPolarHBondContact O-CG1 3.38Å; N927-I931 PolarHBondContact O-N 2.9Å |
| 928 | T | 84.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | L924 V925 S932 | L924-T928 VanDerWaalsContact O-CB 3.31Å; L924-T928 WeakPolarHBondContact O-CB 3.24Å; L924-T928 PolarHBondContact O-N 3.24Å; L924-T928 VanDerWaalsContact O-N 3.09Å; L924-T928 PolarHBondContact O-OG1 3.31Å; V925-T928 PolarHBondContact O-N 3.16Å; T928-S932 VanDerWaalsContact O-CB 3.29Å; T928-S932 WeakPolarHBondContact O-CB 3.3Å; T928-S932 PolarHBondContact O-N 3.38Å; T928-S932 PolarHBondContact O-OG 3.08Å |
| 929 | V | 83 | Confident | 76.8 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 24% | 0.242 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V848 I851 V925 A926 N927 F933 | V848-V929 HydrophobicContact CG1-CG1 4.25Å; I851-V929 HydrophobicContact CG2-CG1 4.38Å; V925-V929 WeakPolarHBondContact O-CG2 3.37Å; V925-V929 PolarHBondContact O-N 3.36Å; V925-V929 VanDerWaalsContact O-N 3.11Å; A926-V929 PolarHBondContact O-N 2.95Å; N927-V929 VanDerWaalsContact C-N 3.33Å; N927-V929 PolarHBondContact O-N 3.22Å; V929-F933 PolarHBondContact O-N 3.44Å; V929-F933 VanDerWaalsContact O-N 3.13Å |
| 930 | V | 78.1 | Confident | 74.8 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | L852 A926 N927 F933 I934 | L852-V930 HydrophobicContact CD1-CG2 4.45Å; A926-V930 WeakPolarHBondContact O-CG2 3.22Å; A926-V930 PolarHBondContact O-N 3.32Å; N927-V930 PolarHBondContact O-N 3.43Å; V930-F933 PolarHBondContact O-N 3.46Å; V930-I934 HydrophobicContact CG1-CD1 4.01Å; V930-I934 WeakPolarHBondContact O-CG1 3.45Å; V930-I934 PolarHBondContact O-N 3.48Å |
| 931 | I | 79.5 | Confident | 72.9 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 179.3 | -67.7 | 165.2 | 0 | 0 | 0 | 111 | N927 F933 I934 Q935 | N927-I931 WeakPolarHBondContact O-CB 3.38Å; N927-I931 VanDerWaalsContact O-CG1 3.29Å; N927-I931 WeakPolarHBondContact O-CG1 3.38Å; N927-I931 PolarHBondContact O-N 2.9Å; I931-F933 VanDerWaalsContact C-N 3.27Å; I931-F933 PolarHBondContact O-N 3.16Å; I931-I934 PolarHBondContact O-N 2.9Å; I931-I934 VanDerWaalsContact O-N 3.15Å; I931-Q935 PolarHBondContact O-N 3.24Å; I931-Q935 VanDerWaalsContact O-N 3.1Å |
| 932 | S | 76.7 | Confident | 71 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | T928 Q935 G936 | T928-S932 VanDerWaalsContact O-CB 3.29Å; T928-S932 WeakPolarHBondContact O-CB 3.3Å; T928-S932 PolarHBondContact O-N 3.38Å; T928-S932 PolarHBondContact O-OG 3.08Å; S932-Q935 PolarHBondContact O-N 3.31Å; S932-G936 PolarHBondContact O-N 3.48Å; S932-G936 VanDerWaalsContact O-N 3.15Å |
| 933 | F | 76.2 | Confident | 69.2 | Low | 52 Ų | 52 | 76.3 Ų | 76.3 | 23% | 0.228 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.1 | 176.8 | -106.1 | 0 | 0 | 0 | 112.7 | M841 P844 V845 V848 V929 V930 I931 Q935 G936 A937 | M841-F933 HydrophobicContact CB-CZ 4.16Å; M841-F933 HydrophobicContact CG-CZ 4.11Å; P844-F933 HydrophobicContact CB-CD2 4.47Å; P844-F933 HydrophobicContact CB-CE2 3.49Å; P844-F933 VanDerWaalsContact CB-CE2 3.49Å; P844-F933 HydrophobicContact CB-CZ 4.04Å; V845-F933 HydrophobicContact CG2-CD1 4.48Å; V845-F933 HydrophobicContact CG2-CE1 3.42Å; V845-F933 VanDerWaalsContact CG2-CE1 3.42Å; V845-F933 HydrophobicContact CG2-CZ 3.55Å; V848-F933 HydrophobicContact CG2-CB 4.06Å; V848-F933 HydrophobicContact CG2-CD2 3.86Å; V848-F933 HydrophobicContact CG2-CG 3.86Å; V929-F933 PolarHBondContact O-N 3.44Å; V929-F933 VanDerWaalsContact O-N 3.13Å; V930-F933 PolarHBondContact O-N 3.46Å; I931-F933 VanDerWaalsContact C-N 3.27Å; I931-F933 PolarHBondContact O-N 3.16Å; F933-Q935 VanDerWaalsContact C-N 3.28Å; F933-Q935 PolarHBondContact O-N 3.4Å; F933-G936 PolarHBondContact O-N 3.39Å; F933-A937 WeakPolarHBondContact O-CB 3.37Å; F933-A937 PolarHBondContact O-N 2.91Å; F933-A937 VanDerWaalsContact O-N 3.08Å |
| 934 | I | 69.5 | Low | 68.1 | Low | 99 Ų | 99 | 79.5 Ų | 79.5 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 179.5 | -66.6 | 164.5 | 0 | 0 | 0 | 111.6 | V930 I931 | V930-I934 HydrophobicContact CG1-CD1 4.01Å; V930-I934 WeakPolarHBondContact O-CG1 3.45Å; V930-I934 PolarHBondContact O-N 3.48Å; I931-I934 PolarHBondContact O-N 2.9Å; I931-I934 VanDerWaalsContact O-N 3.15Å |
| 935 | Q | 68.7 | Low | 67.2 | Low | 137 Ų | 137 | 76.8 Ų | 76.8 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.7 | -50.7 | 175.9 | -69.1 | -178.2 | -4.3 | 0 | 0 | 112.2 | I931 S932 F933 A937 L938 | I931-Q935 PolarHBondContact O-N 3.24Å; I931-Q935 VanDerWaalsContact O-N 3.1Å; S932-Q935 PolarHBondContact O-N 3.31Å; F933-Q935 VanDerWaalsContact C-N 3.28Å; F933-Q935 PolarHBondContact O-N 3.4Å; Q935-A937 PolarHBondContact O-N 3.24Å; Q935-L938 PolarHBondContact O-N 3.32Å |
| 936 | G | 59.2 | Low | 66.4 | Low | 57 Ų | 57 | 76 Ų | 76 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.3 | -27.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S932 F933 L938 | S932-G936 PolarHBondContact O-N 3.48Å; S932-G936 VanDerWaalsContact O-N 3.15Å; F933-G936 PolarHBondContact O-N 3.39Å; G936-L938 PolarHBondContact O-N 3.18Å |
| 937 | A | 57.9 | Low | 65.7 | Low | 13 Ų | 13 | 79.6 Ų | 79.6 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | M841 F933 Q935 Q939 S940 | M841-A937 VanDerWaalsContact CE-C 3.49Å; M841-A937 VanDerWaalsContact CE-CA 3.46Å; M841-A937 HydrophobicContact CE-CB 3.33Å; M841-A937 WeakPolarHBondContact CE-O 3.49Å; M841-A937 HydrophobicContact CG-CB 4.43Å; M841-A937 HydrophobicContact SD-CB 3.69Å; F933-A937 WeakPolarHBondContact O-CB 3.37Å; F933-A937 PolarHBondContact O-N 2.91Å; F933-A937 VanDerWaalsContact O-N 3.08Å; Q935-A937 PolarHBondContact O-N 3.24Å; A937-Q939 VanDerWaalsContact C-N 3.29Å; A937-Q939 PolarHBondContact O-N 3.16Å; A937-Q939 VanDerWaalsContact O-N 3.15Å; A937-S940 PolarHBondContact O-OG 2.88Å |
| 938 | L | 52.3 | Low | 65.2 | Low | 115 Ų | 115 | 79 Ų | 79 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | -164.7 | -89.8 | 156.5 | 0 | 0 | 0 | 115.7 | Q935 G936 S940 | Q935-L938 PolarHBondContact O-N 3.32Å; G936-L938 PolarHBondContact O-N 3.18Å; L938-S940 PolarHBondContact O-N 3.4Å |
| 939 | Q | 47.5 | Very low | 64.7 | Low | 187 Ų | 187 | 75.6 Ų | 75.6 | 87% | 0.874 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 4.2 | -176.4 | -72.1 | -168.9 | -21.4 | 0 | 0 | 115 | A937 | A937-Q939 VanDerWaalsContact C-N 3.29Å; A937-Q939 PolarHBondContact O-N 3.16Å; A937-Q939 VanDerWaalsContact O-N 3.15Å |
| 940 | S | 43 | Very low | 64.1 | Low | 33 Ų | 33 | 75.4 Ų | 75.4 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | trans | -109.7 | 85.6 | -160 | 64.3 | 0 | 0 | 0 | 0 | 118.1 | M841 A937 L938 | M841-S940 WeakPolarHBondContact CE-OG 3.31Å; A937-S940 PolarHBondContact O-OG 2.88Å; L938-S940 PolarHBondContact O-N 3.4Å | ||
| 941 | W | 47.9 | Very low | 63.8 | Low | 133 Ų | 133 | 75.9 Ų | 75.9 | 50% | 0.504 | 38% | 0.384 | S | S | . | . | trans | 79.9 | 147.5 | 143.4 | -77.9 | 77.9 | 0 | 0 | 0 | 123.1 | K551 R840 | K551-W941 HydrophobicContact CB-CH2 4.34Å; K551-W941 HydrophobicContact CB-CZ3 3.75Å; K551-W941 HydrophobicContact CD-CE3 4.31Å; K551-W941 HydrophobicContact CD-CH2 3.6Å; K551-W941 HydrophobicContact CD-CZ3 3.32Å; K551-W941 HydrophobicContact CG-CE3 4.42Å; K551-W941 HydrophobicContact CG-CH2 4.27Å; K551-W941 HydrophobicContact CG-CZ3 3.55Å; K551-W941 VanDerWaalsContact NZ-CH2 3.32Å; R840-W941 VanDerWaalsContact NH1-CD1 3.34Å | ||
| 942 | M | 48 | Very low | 63.6 | Low | 116 Ų | 116 | 71.6 Ų | 71.6 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | trans | -129.1 | 155.6 | 150.1 | -72 | -158.5 | -64.5 | 0 | 0 | 108.4 | H833 | H833-M942 HydrophobicContact CB-CG 4.25Å; H833-M942 HydrophobicContact CB-SD 4.42Å | ||
| 943 | F | 53.2 | Low | 63.5 | Low | 77 Ų | 77 | 71.8 Ų | 71.8 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | cis | -159.3 | 163 | 28.6 | -160.3 | -132.7 | 0 | 0 | 0 | 110 | R945 | F943-R945 HydrophobicContact CD1-CB 3.74Å; F943-R945 HydrophobicContact CE1-CB 3.21Å; F943-R945 HydrophobicContact CE1-CG 4.11Å; F943-R945 HydrophobicContact CE2-CB 4.26Å; F943-R945 HydrophobicContact CG-CB 4.47Å; F943-R945 HydrophobicContact CZ-CB 3.54Å; F943-R945 VanDerWaalsContact CZ-CD 3.43Å; F943-R945 HydrophobicContact CZ-CG 4.12Å | ||
| 944 | H | 61.9 | Low | 63.1 | Low | 102 Ų | 102 | 72.8 Ų | 72.8 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | trans | -139.9 | 18.6 | 177.8 | -66.3 | 100.7 | 0 | 0 | 0 | 114.5 | V836 Y946 | V836-H944 WeakPolarHBondContact CG1-ND1 3.31Å; H944-Y946 PolarHBondContact O-N 3.17Å | ||
| 945 | R | 70.1 | Confident | 63.3 | Low | 54 Ų | 54 | 69.6 Ų | 69.6 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70 | -31.5 | -164.9 | -165.9 | 177.6 | 177.8 | -160.5 | 0.4 | 115.2 | D564 F943 R948 I949 | D564-R945 IonicContact OD1-CZ 3.22Å; D564-R945 IonicContact OD1-NH1 3.41Å; D564-R945 PolarHBondContact OD1-NH1 2.79Å; D564-R945 IonicContact OD1-NH2 3.95Å; D564-R945 PolarHBondContact OD1-NH2 3.43Å; D564-R945 IonicContact OD2-NH1 2.77Å; F943-R945 HydrophobicContact CD1-CB 3.74Å; F943-R945 HydrophobicContact CE1-CB 3.21Å; F943-R945 HydrophobicContact CE1-CG 4.11Å; F943-R945 HydrophobicContact CE2-CB 4.26Å; F943-R945 HydrophobicContact CG-CB 4.47Å; F943-R945 HydrophobicContact CZ-CB 3.54Å; F943-R945 VanDerWaalsContact CZ-CD 3.43Å; F943-R945 HydrophobicContact CZ-CG 4.12Å; R945-R948 PolarHBondContact O-N 3.13Å; R945-I949 HydrophobicContact CG-CD1 3.96Å; R945-I949 HydrophobicContact CG-CG1 4.45Å; R945-I949 PolarHBondContact O-N 3.03Å |
| 946 | Y | 70.3 | Confident | 63.6 | Low | 35 Ų | 35 | 63.5 Ų | 63.5 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57 | -53.5 | -176.9 | 179.3 | -86.6 | 0 | 0 | 0 | 112.4 | L542 V546 L563 H944 R948 I949 V950 | L542-Y946 HydrophobicContact CD2-CD2 4.2Å; L542-Y946 HydrophobicContact CD2-CE2 3.79Å; L542-Y946 HydrophobicContact CG-CD2 4.26Å; L542-Y946 HydrophobicContact CG-CE2 3.86Å; V546-Y946 HydrophobicContact CB-CD1 4.15Å; V546-Y946 HydrophobicContact CB-CE1 4.21Å; V546-Y946 HydrophobicContact CB-CG 4.48Å; V546-Y946 HydrophobicContact CG1-CD1 3.63Å; V546-Y946 HydrophobicContact CG1-CE1 3.91Å; V546-Y946 HydrophobicContact CG1-CG 4.27Å; V546-Y946 HydrophobicContact CG2-CD1 3.59Å; V546-Y946 HydrophobicContact CG2-CD2 3.62Å; V546-Y946 HydrophobicContact CG2-CE1 3.86Å; V546-Y946 HydrophobicContact CG2-CE2 3.92Å; V546-Y946 HydrophobicContact CG2-CG 3.46Å; V546-Y946 VanDerWaalsContact CG2-CG 3.46Å; L563-Y946 HydrophobicContact CD2-CD2 3.72Å; H944-Y946 PolarHBondContact O-N 3.17Å; Y946-R948 PolarHBondContact O-N 3.33Å; Y946-I949 PolarHBondContact O-N 2.89Å; Y946-V950 HydrophobicContact CD1-CG2 4Å; Y946-V950 HydrophobicContact CE1-CG2 3.53Å; Y946-V950 HydrophobicContact CE2-CG2 4.4Å; Y946-V950 PolarHBondContact O-N 2.72Å; Y946-V950 VanDerWaalsContact O-N 3.09Å |
| 947 | D | 69.6 | Low | 64.5 | Low | 75 Ų | 75 | 64.8 Ų | 64.8 | 40% | 0.401 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.7 | -36.7 | -179.9 | -90 | 31.4 | 0 | 0 | 0 | 112.4 | K777 E951 | K777-D947 IonicContact NZ-OD2 2.75Å; K777-D947 PolarHBondContact NZ-OD2 3.06Å; K777-D947 VanDerWaalsContact NZ-OD2 3.16Å; D947-E951 VanDerWaalsContact O-CB 3.29Å; D947-E951 WeakPolarHBondContact O-CB 3.19Å; D947-E951 PolarHBondContact O-N 2.93Å |
| 948 | R | 72.5 | Confident | 65.5 | Low | 48 Ų | 48 | 66.3 Ų | 66.3 | 18% | 0.181 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -76.3 | -40 | -179.3 | -57.6 | -50.2 | -174.4 | 140.8 | 15 | 112.9 | D823 R945 Y946 V950 E951 Y952 | D823-R948 IonicContact OD1-CZ 3.37Å; D823-R948 IonicContact OD1-NH1 2.67Å; D823-R948 IonicContact OD1-NH2 2.61Å; D823-R948 PolarHBondContact OD1-NH2 3.45Å; D823-R948 IonicContact OD2-CZ 2.68Å; D823-R948 IonicContact OD2-NH1 3.23Å; D823-R948 PolarHBondContact OD2-NH1 3.35Å; D823-R948 IonicContact OD2-NH2 2.64Å; D823-R948 PolarHBondContact OD2-NH2 2.98Å; R945-R948 PolarHBondContact O-N 3.13Å; Y946-R948 PolarHBondContact O-N 3.33Å; R948-V950 VanDerWaalsContact C-N 3.26Å; R948-V950 PolarHBondContact O-N 2.92Å; R948-E951 VanDerWaalsContact CD-OE2 3.27Å; R948-E951 WeakPolarHBondContact CD-OE2 3.28Å; R948-E951 IonicContact CZ-OE2 3.57Å; R948-E951 IonicContact NE-OE2 2.67Å; R948-E951 IonicContact NH1-OE2 3.25Å; R948-E951 PolarHBondContact NH1-OE2 3.47Å; R948-E951 PolarHBondContact O-N 3.26Å; R948-Y952 VanDerWaalsContact O-CD2 3.27Å; R948-Y952 WeakPolarHBondContact O-CD2 3.26Å; R948-Y952 PolarHBondContact O-N 3.4Å |
| 949 | I | 73.2 | Confident | 66.9 | Low | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 175 | -64.7 | 162.4 | 0 | 0 | 0 | 109.4 | L563 L566 W567 R945 Y946 H953 | L563-I949 HydrophobicContact CB-CD1 3.71Å; L563-I949 HydrophobicContact CD2-CD1 3.65Å; L563-I949 HydrophobicContact CG-CD1 4.21Å; L563-I949 WeakPolarHBondContact O-CD1 3.48Å; L566-I949 HydrophobicContact CB-CG2 4.09Å; W567-I949 HydrophobicContact CE3-CG1 3.86Å; R945-I949 HydrophobicContact CG-CD1 3.96Å; R945-I949 HydrophobicContact CG-CG1 4.45Å; R945-I949 PolarHBondContact O-N 3.03Å; Y946-I949 PolarHBondContact O-N 2.89Å; I949-H953 WeakPolarHBondContact O-CB 3.49Å; I949-H953 PolarHBondContact O-N 3.49Å |
| 950 | V | 70.5 | Confident | 68.3 | Low | 36 Ų | 36 | 52.7 Ų | 52.7 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | Y946 R948 Y952 H953 L954 | Y946-V950 HydrophobicContact CD1-CG2 4Å; Y946-V950 HydrophobicContact CE1-CG2 3.53Å; Y946-V950 HydrophobicContact CE2-CG2 4.4Å; Y946-V950 PolarHBondContact O-N 2.72Å; Y946-V950 VanDerWaalsContact O-N 3.09Å; R948-V950 VanDerWaalsContact C-N 3.26Å; R948-V950 PolarHBondContact O-N 2.92Å; V950-Y952 PolarHBondContact O-N 2.71Å; V950-H953 PolarHBondContact O-N 2.92Å; V950-L954 HydrophobicContact CG1-CD1 3.96Å; V950-L954 WeakPolarHBondContact O-CG 3.34Å; V950-L954 PolarHBondContact O-N 2.99Å |
| 951 | E | 73 | Confident | 69.9 | Low | 57 Ų | 57 | 52.3 Ų | 52.3 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 177.7 | -166.3 | -161.4 | 140.6 | 0 | 0 | 112 | D947 R948 L954 K955 | D947-E951 VanDerWaalsContact O-CB 3.29Å; D947-E951 WeakPolarHBondContact O-CB 3.19Å; D947-E951 PolarHBondContact O-N 2.93Å; R948-E951 VanDerWaalsContact CD-OE2 3.27Å; R948-E951 WeakPolarHBondContact CD-OE2 3.28Å; R948-E951 IonicContact CZ-OE2 3.57Å; R948-E951 IonicContact NE-OE2 2.67Å; R948-E951 IonicContact NH1-OE2 3.25Å; R948-E951 PolarHBondContact NH1-OE2 3.47Å; R948-E951 PolarHBondContact O-N 3.26Å; E951-L954 PolarHBondContact O-N 3.5Å; E951-K955 WeakPolarHBondContact O-CG 3.45Å; E951-K955 PolarHBondContact O-N 3.14Å; E951-K955 WeakPolarHBondContact OE1-CE 3.33Å; E951-K955 IonicContact OE1-NZ 2.98Å; E951-K955 PolarHBondContact OE1-NZ 3.06Å |
| 952 | Y | 75.4 | Confident | 71.5 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -77.3 | -27.3 | 179.3 | -74.3 | -76.9 | 0 | 0 | 0 | 113.4 | W567 F707 V827 R948 V950 L954 K955 | W567-Y952 HydrophobicContact CH2-CD2 4.32Å; W567-Y952 HydrophobicContact CZ3-CD2 4.27Å; W567-Y952 HydrophobicContact CZ3-CG 4.44Å; F707-Y952 HydrophobicContact CB-CD1 4.13Å; F707-Y952 HydrophobicContact CB-CE1 4.38Å; F707-Y952 HydrophobicContact CB-CG 4.38Å; F707-Y952 HydrophobicContact CD2-CD1 4.36Å; F707-Y952 HydrophobicContact CD2-CD2 4.28Å; F707-Y952 AromaticContact CD2-CE1 3.9Å; F707-Y952 HydrophobicContact CD2-CE1 3.9Å; F707-Y952 AromaticContact CD2-CE2 3.84Å; F707-Y952 HydrophobicContact CD2-CE2 3.84Å; F707-Y952 AromaticContact CD2-CZ 3.65Å; F707-Y952 HydrophobicContact CE2-CE2 4.43Å; V827-Y952 HydrophobicContact CG2-CE2 4.3Å; R948-Y952 VanDerWaalsContact O-CD2 3.27Å; R948-Y952 WeakPolarHBondContact O-CD2 3.26Å; R948-Y952 PolarHBondContact O-N 3.4Å; V950-Y952 PolarHBondContact O-N 2.71Å; Y952-L954 VanDerWaalsContact C-N 3.26Å; Y952-L954 PolarHBondContact O-N 3.45Å; Y952-K955 HydrophobicContact CD1-CD 3.73Å; Y952-K955 HydrophobicContact CE1-CD 3.84Å; Y952-K955 VanDerWaalsContact CZ-NZ 3.3Å; Y952-K955 PolarHBondContact O-N 3.33Å; Y952-K955 PolarHBondContact OH-NZ 3.44Å |
| 953 | H | 72.9 | Confident | 73 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 34% | 0.338 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66 | -25.3 | 171.5 | -112 | -40.8 | 0 | 0 | 0 | 113.9 | P703 I949 V950 | P703-H953 VanDerWaalsContact CG-CE1 3.49Å; P703-H953 WeakPolarHBondContact CG-CE1 3.37Å; I949-H953 WeakPolarHBondContact O-CB 3.49Å; I949-H953 PolarHBondContact O-N 3.49Å; V950-H953 PolarHBondContact O-N 2.92Å |
| 954 | L | 68.1 | Low | 74.2 | Confident | 73 Ų | 73 | 42 Ų | 42 | 38% | 0.382 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -94.6 | -13.5 | -178.7 | -66.6 | 173.8 | 0 | 0 | 0 | 113.8 | V950 E951 Y952 | V950-L954 HydrophobicContact CG1-CD1 3.96Å; V950-L954 WeakPolarHBondContact O-CG 3.34Å; V950-L954 PolarHBondContact O-N 2.99Å; E951-L954 PolarHBondContact O-N 3.5Å; Y952-L954 VanDerWaalsContact C-N 3.26Å; Y952-L954 PolarHBondContact O-N 3.45Å |
| 955 | K | 73.6 | Confident | 75.2 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.2 | 150.6 | 174.7 | -79.5 | 173.1 | -172.3 | 170 | 0 | 111.1 | T706 W710 E951 Y952 | T706-K955 HydrophobicContact CG2-CB 4.18Å; W710-K955 HydrophobicContact CD2-CD 4.13Å; W710-K955 HydrophobicContact CE3-CD 4.25Å; W710-K955 HydrophobicContact CH2-CD 4.27Å; W710-K955 HydrophobicContact CH2-CG 4.41Å; W710-K955 HydrophobicContact CZ2-CB 4.18Å; W710-K955 HydrophobicContact CZ2-CD 4.14Å; W710-K955 HydrophobicContact CZ2-CG 4.13Å; W710-K955 HydrophobicContact CZ3-CD 4.32Å; E951-K955 WeakPolarHBondContact O-CG 3.45Å; E951-K955 PolarHBondContact O-N 3.14Å; E951-K955 WeakPolarHBondContact OE1-CE 3.33Å; E951-K955 IonicContact OE1-NZ 2.98Å; E951-K955 PolarHBondContact OE1-NZ 3.06Å; Y952-K955 HydrophobicContact CD1-CD 3.73Å; Y952-K955 HydrophobicContact CE1-CD 3.84Å; Y952-K955 VanDerWaalsContact CZ-NZ 3.3Å; Y952-K955 PolarHBondContact O-N 3.33Å; Y952-K955 PolarHBondContact OH-NZ 3.44Å |
| 956 | P | 76.2 | Confident | 75.6 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | trans | -65.1 | 146.8 | 165.6 | 31.5 | -34.6 | 0 | 0 | 0 | 110.2 | W710 L958 T963 W966 | W710-P956 HydrophobicContact CZ2-CG 3.98Å; W710-P956 PolarHBondContact NE1-O 3.28Å; P956-L958 VanDerWaalsContact C-N 3.34Å; P956-L958 PolarHBondContact O-N 2.92Å; P956-L958 VanDerWaalsContact O-O 3.11Å; P956-T963 HydrophobicContact CB-CG2 4.14Å; P956-T963 HydrophobicContact CG-CG2 3.34Å; P956-W966 HydrophobicContact CB-CG 4.07Å | ||
| 957 | F | 77.8 | Confident | 75.9 | Confident | 85 Ų | 85 | 44.3 Ų | 44.3 | 37% | 0.373 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -65.9 | -36 | 179.8 | 73.6 | -83.1 | 0 | 0 | 0 | 112.4 | Y700 | Y700-F957 HydrophobicContact CD1-CD2 4.48Å; Y700-F957 VanDerWaalsContact O-CB 3.32Å; Y700-F957 WeakPolarHBondContact O-CB 3.37Å |
| 958 | L | 79.6 | Confident | 76.5 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -65.1 | 133.9 | 167.2 | -65.5 | 174.1 | 0 | 0 | 0 | 109.3 | W710 P956 L962 T963 | W710-L958 PolarHBondContact NE1-O 3.44Å; P956-L958 VanDerWaalsContact C-N 3.34Å; P956-L958 PolarHBondContact O-N 2.92Å; P956-L958 VanDerWaalsContact O-O 3.11Å; L958-L962 HydrophobicContact CB-CB 4.2Å; L958-L962 HydrophobicContact CD1-CB 4.41Å; L958-L962 HydrophobicContact CD2-CB 4.32Å; L958-L962 HydrophobicContact CD2-CD1 4.36Å; L958-T963 HydrophobicContact CB-CG2 4.43Å; L958-T963 WeakPolarHBondContact O-CG2 3.39Å |
| 959 | P | 81.2 | Confident | 76.9 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 164.8 | 167.2 | 35.9 | -34.9 | 0 | 0 | 0 | 111.2 | L709 W710 L962 T963 | L709-P959 HydrophobicContact CB-CG 4.34Å; W710-P959 HydrophobicContact CD2-CB 4.43Å; W710-P959 HydrophobicContact CG-CB 4.05Å; P959-L962 WeakPolarHBondContact O-CA 3.45Å; P959-L962 WeakPolarHBondContact O-CB 3.4Å; P959-L962 PolarHBondContact O-N 2.84Å; P959-T963 PolarHBondContact O-N 3.43Å |
| 960 | P | 75.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 148 | 165.8 | -19.7 | 32.2 | 0 | 0 | 0 | 110.5 | W710 S713 Y743 L962 | W710-P960 HydrophobicContact CH2-CG 4.07Å; W710-P960 HydrophobicContact CZ3-CG 4.13Å; S713-P960 PolarHBondContact OG-O 3.4Å; Y743-P960 HydrophobicContact CD2-CB 3.93Å; Y743-P960 HydrophobicContact CE2-CB 3.78Å; Y743-P960 WeakPolarHBondContact CE2-O 3.27Å; Y743-P960 HydrophobicContact CG-CB 4.37Å; P960-L962 VanDerWaalsContact C-N 3.34Å |
| 961 | P | 76.7 | Confident | 77.1 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.2 | -10 | 0 | 33.6 | -36.6 | 0 | 0 | 0 | 114.2 | Y739 V742 T963 A964 | Y739-P961 HydrophobicContact CD2-CG 4.25Å; Y739-P961 HydrophobicContact CE2-CG 3.7Å; V742-P961 HydrophobicContact CG1-CB 3.76Å; P961-T963 PolarHBondContact O-N 2.94Å; P961-T963 VanDerWaalsContact O-N 3.1Å; P961-A964 WeakPolarHBondContact O-CB 3.38Å; P961-A964 PolarHBondContact O-N 3.04Å |
| 962 | L | 81.8 | Confident | 77.4 | Confident | 83 Ų | 83 | 52.3 Ų | 52.3 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.5 | -173.7 | -60 | 178.3 | 0 | 0 | 0 | 113.8 | L958 P959 P960 A964 F965 | L958-L962 HydrophobicContact CB-CB 4.2Å; L958-L962 HydrophobicContact CD1-CB 4.41Å; L958-L962 HydrophobicContact CD2-CB 4.32Å; L958-L962 HydrophobicContact CD2-CD1 4.36Å; P959-L962 WeakPolarHBondContact O-CA 3.45Å; P959-L962 WeakPolarHBondContact O-CB 3.4Å; P959-L962 PolarHBondContact O-N 2.84Å; P960-L962 VanDerWaalsContact C-N 3.34Å; L962-A964 PolarHBondContact O-N 2.94Å; L962-A964 VanDerWaalsContact O-N 3.16Å; L962-F965 HydrophobicContact CD2-CD2 4.3Å; L962-F965 HydrophobicContact CD2-CE2 4.05Å; L962-F965 PolarHBondContact O-N 3.42Å |
| 963 | T | 79.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -18.7 | 169.5 | 48.1 | 0 | 0 | 0 | 0 | 113.9 | W710 T746 D750 P956 L958 P959 P961 F965 W966 H967 | W710-T963 HydrophobicContact CZ2-CG2 4.26Å; T746-T963 WeakPolarHBondContact CG2-OG1 3.46Å; D750-T963 VanDerWaalsContact OD2-CB 3.23Å; D750-T963 WeakPolarHBondContact OD2-CB 3.35Å; D750-T963 PolarHBondContact OD2-OG1 3.35Å; P956-T963 HydrophobicContact CB-CG2 4.14Å; P956-T963 HydrophobicContact CG-CG2 3.34Å; L958-T963 HydrophobicContact CB-CG2 4.43Å; L958-T963 WeakPolarHBondContact O-CG2 3.39Å; P959-T963 PolarHBondContact O-N 3.43Å; P961-T963 PolarHBondContact O-N 2.94Å; P961-T963 VanDerWaalsContact O-N 3.1Å; T963-F965 VanDerWaalsContact C-N 3.3Å; T963-F965 PolarHBondContact O-N 3.06Å; T963-W966 WeakPolarHBondContact O-CA 3.42Å; T963-W966 WeakPolarHBondContact O-CB 3.49Å; T963-W966 PolarHBondContact O-N 3.29Å; T963-H967 PolarHBondContact O-CD2 3.28Å; T963-H967 PolarHBondContact O-N 3.49Å |
| 964 | A | 78.8 | Confident | 77.4 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 23% | 0.231 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.4 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T746 P961 L962 W966 H967 I968 | T746-A964 HydrophobicContact CG2-CB 3.99Å; T746-A964 VanDerWaalsContact CG2-N 3.32Å; P961-A964 WeakPolarHBondContact O-CB 3.38Å; P961-A964 PolarHBondContact O-N 3.04Å; L962-A964 PolarHBondContact O-N 2.94Å; L962-A964 VanDerWaalsContact O-N 3.16Å; A964-W966 VanDerWaalsContact C-N 3.3Å; A964-W966 PolarHBondContact O-N 2.92Å; A964-H967 PolarHBondContact O-N 3.14Å; A964-I968 VanDerWaalsContact O-CG1 3.3Å; A964-I968 WeakPolarHBondContact O-CG1 3.29Å; A964-I968 PolarHBondContact O-N 2.82Å |
| 965 | F | 82.7 | Confident | 77.8 | Confident | 138 Ų | 138 | 59.2 Ų | 59.2 | 61% | 0.605 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -35.2 | 175.5 | -62.9 | -70.3 | 0 | 0 | 0 | 112.6 | L962 T963 I968 Y969 | L962-F965 HydrophobicContact CD2-CD2 4.3Å; L962-F965 HydrophobicContact CD2-CE2 4.05Å; L962-F965 PolarHBondContact O-N 3.42Å; T963-F965 VanDerWaalsContact C-N 3.3Å; T963-F965 PolarHBondContact O-N 3.06Å; F965-I968 PolarHBondContact O-N 3.23Å; F965-Y969 WeakPolarHBondContact O-CB 3.44Å; F965-Y969 PolarHBondContact O-N 3.43Å |
| 966 | W | 77.5 | Confident | 78 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 28% | 0.277 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 175.8 | -179.5 | -96.6 | 0 | 0 | 0 | 112.4 | R753 P956 T963 A964 Y969 L970 | R753-W966 VanDerWaalsContact NH1-CD1 3.34Å; P956-W966 HydrophobicContact CB-CG 4.07Å; T963-W966 WeakPolarHBondContact O-CA 3.42Å; T963-W966 WeakPolarHBondContact O-CB 3.49Å; T963-W966 PolarHBondContact O-N 3.29Å; A964-W966 VanDerWaalsContact C-N 3.3Å; A964-W966 PolarHBondContact O-N 2.92Å; W966-Y969 HydrophobicContact CE3-CD1 4.24Å; W966-Y969 HydrophobicContact CH2-CD1 4.35Å; W966-Y969 HydrophobicContact CH2-CE1 4.35Å; W966-Y969 HydrophobicContact CZ3-CD1 4.06Å; W966-Y969 HydrophobicContact CZ3-CE1 4.33Å; W966-Y969 PolarHBondContact O-N 3.4Å; W966-L970 HydrophobicContact CZ2-CD2 4.28Å; W966-L970 WeakPolarHBondContact O-CG 3.41Å; W966-L970 PolarHBondContact O-N 2.88Å |
| 967 | H | 78 | Confident | 77.5 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 171.5 | -68.4 | -65.3 | 0 | 0 | 0 | 111.4 | D750 T963 A964 Y969 L970 V971 | D750-H967 VanDerWaalsContact CG-CE1 3.44Å; D750-H967 IonicContact OD1-CE1 3.42Å; D750-H967 PolarHBondContact OD1-CE1 3.37Å; D750-H967 IonicContact OD1-NE2 3.42Å; D750-H967 PolarHBondContact OD1-NE2 2.86Å; D750-H967 IonicContact OD2-CE1 2.8Å; D750-H967 IonicContact OD2-NE2 3.23Å; D750-H967 PolarHBondContact OD2-NE2 2.89Å; T963-H967 PolarHBondContact O-CD2 3.28Å; T963-H967 PolarHBondContact O-N 3.49Å; A964-H967 PolarHBondContact O-N 3.14Å; H967-Y969 PolarHBondContact O-N 2.98Å; H967-L970 PolarHBondContact O-N 3.2Å; H967-V971 WeakPolarHBondContact O-CG2 3.43Å; H967-V971 PolarHBondContact O-N 3.25Å |
| 968 | I | 81.3 | Confident | 77 | Confident | 94 Ų | 94 | 63 Ų | 63 | 48% | 0.482 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 174.5 | -68.8 | 163.3 | 0 | 0 | 0 | 110.4 | A964 F965 L970 V971 I972 | A964-I968 VanDerWaalsContact O-CG1 3.3Å; A964-I968 WeakPolarHBondContact O-CG1 3.29Å; A964-I968 PolarHBondContact O-N 2.82Å; F965-I968 PolarHBondContact O-N 3.23Å; I968-L970 PolarHBondContact O-N 3.47Å; I968-V971 PolarHBondContact O-N 3.15Å; I968-I972 HydrophobicContact CG2-CD1 3.7Å; I968-I972 HydrophobicContact CG2-CG1 4.39Å; I968-I972 WeakPolarHBondContact O-CB 3.44Å; I968-I972 VanDerWaalsContact O-CG1 3.29Å; I968-I972 WeakPolarHBondContact O-CG1 3.41Å; I968-I972 PolarHBondContact O-N 3.3Å |
| 969 | Y | 81.3 | Confident | 76.2 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 37% | 0.365 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 174.4 | 171.4 | -92.7 | 0 | 0 | 0 | 112.6 | F965 W966 H967 V971 I972 Q973 | F965-Y969 WeakPolarHBondContact O-CB 3.44Å; F965-Y969 PolarHBondContact O-N 3.43Å; W966-Y969 HydrophobicContact CE3-CD1 4.24Å; W966-Y969 HydrophobicContact CH2-CD1 4.35Å; W966-Y969 HydrophobicContact CH2-CE1 4.35Å; W966-Y969 HydrophobicContact CZ3-CD1 4.06Å; W966-Y969 HydrophobicContact CZ3-CE1 4.33Å; W966-Y969 PolarHBondContact O-N 3.4Å; H967-Y969 PolarHBondContact O-N 2.98Å; Y969-V971 PolarHBondContact O-N 3.18Å; Y969-I972 PolarHBondContact O-N 3.23Å; Y969-Q973 WeakPolarHBondContact O-CB 3.36Å; Y969-Q973 PolarHBondContact O-N 3.23Å; Y969-Q973 PolarHBondContact OH-OE1 2.97Å |
| 970 | L | 71.9 | Confident | 75.2 | Confident | 31 Ų | 31 | 69.4 Ų | 69.4 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64 | -38 | 177.4 | -74.2 | 175.1 | 0 | 0 | 0 | 112.7 | W966 H967 I968 Y974 | W966-L970 HydrophobicContact CZ2-CD2 4.28Å; W966-L970 WeakPolarHBondContact O-CG 3.41Å; W966-L970 PolarHBondContact O-N 2.88Å; H967-L970 PolarHBondContact O-N 3.2Å; I968-L970 PolarHBondContact O-N 3.47Å; L970-Y974 WeakPolarHBondContact O-CB 3.25Å; L970-Y974 PolarHBondContact O-N 3.04Å |
| 971 | V | 76.5 | Confident | 74.5 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | H967 I968 Y969 Y974 F975 | H967-V971 WeakPolarHBondContact O-CG2 3.43Å; H967-V971 PolarHBondContact O-N 3.25Å; I968-V971 PolarHBondContact O-N 3.15Å; Y969-V971 PolarHBondContact O-N 3.18Å; V971-Y974 WeakPolarHBondContact O-CB 3.32Å; V971-Y974 PolarHBondContact O-N 3.18Å; V971-F975 HydrophobicContact CG1-CD2 3.72Å; V971-F975 HydrophobicContact CG1-CE2 3.55Å; V971-F975 VanDerWaalsContact O-CD2 3.24Å; V971-F975 WeakPolarHBondContact O-CD2 3.3Å; V971-F975 PolarHBondContact O-N 2.86Å |
| 972 | I | 79.3 | Confident | 73.6 | Confident | 94 Ų | 94 | 78 Ų | 78 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -48 | 172.5 | -68.8 | 167.1 | 0 | 0 | 0 | 110.1 | I968 Y969 Y974 F975 C976 | I968-I972 HydrophobicContact CG2-CD1 3.7Å; I968-I972 HydrophobicContact CG2-CG1 4.39Å; I968-I972 WeakPolarHBondContact O-CB 3.44Å; I968-I972 VanDerWaalsContact O-CG1 3.29Å; I968-I972 WeakPolarHBondContact O-CG1 3.41Å; I968-I972 PolarHBondContact O-N 3.3Å; Y969-I972 PolarHBondContact O-N 3.23Å; I972-Y974 VanDerWaalsContact C-N 3.31Å; I972-Y974 PolarHBondContact O-N 3.36Å; I972-F975 PolarHBondContact O-N 3.44Å; I972-C976 WeakPolarHBondContact O-CB 3.43Å; I972-C976 PolarHBondContact O-N 2.87Å; I972-C976 PolarHBondContact O-SG 3.36Å |
| 973 | Q | 76.7 | Confident | 72.7 | Confident | 26 Ų | 26 | 79 Ų | 79 | 12% | 0.121 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 177.9 | -172.7 | 171.9 | 9.2 | 0 | 0 | 111.7 | Y969 C977 | Y969-Q973 WeakPolarHBondContact O-CB 3.36Å; Y969-Q973 PolarHBondContact O-N 3.23Å; Y969-Q973 PolarHBondContact OH-OE1 2.97Å; Q973-C977 WeakPolarHBondContact O-CB 3.38Å; Q973-C977 PolarHBondContact O-N 2.86Å; Q973-C977 PolarHBondContact O-SG 2.87Å |
| 974 | Y | 71.4 | Confident | 71.8 | Confident | 143 Ų | 143 | 80.1 Ų | 80.1 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.4 | -48.2 | 173.9 | 175.6 | -96.8 | 0 | 0 | 0 | 111.9 | L970 V971 I972 C977 Y978 | L970-Y974 WeakPolarHBondContact O-CB 3.25Å; L970-Y974 PolarHBondContact O-N 3.04Å; V971-Y974 WeakPolarHBondContact O-CB 3.32Å; V971-Y974 PolarHBondContact O-N 3.18Å; I972-Y974 VanDerWaalsContact C-N 3.31Å; I972-Y974 PolarHBondContact O-N 3.36Å; Y974-C977 PolarHBondContact O-N 3.44Å; Y974-Y978 VanDerWaalsContact O-CB 3.26Å; Y974-Y978 WeakPolarHBondContact O-CB 3.26Å; Y974-Y978 PolarHBondContact O-N 3.18Å |
| 975 | F | 75.6 | Confident | 70.9 | Confident | 127 Ų | 127 | 83.8 Ų | 83.8 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.4 | -41.6 | 178.4 | -76.9 | -61.9 | 0 | 0 | 0 | 113.3 | V971 I972 C977 Y978 S979 | V971-F975 HydrophobicContact CG1-CD2 3.72Å; V971-F975 HydrophobicContact CG1-CE2 3.55Å; V971-F975 VanDerWaalsContact O-CD2 3.24Å; V971-F975 WeakPolarHBondContact O-CD2 3.3Å; V971-F975 PolarHBondContact O-N 2.86Å; I972-F975 PolarHBondContact O-N 3.44Å; F975-C977 VanDerWaalsContact C-N 3.32Å; F975-C977 PolarHBondContact O-N 3.33Å; F975-Y978 PolarHBondContact O-N 3.44Å; F975-S979 WeakPolarHBondContact O-CB 3.32Å; F975-S979 PolarHBondContact O-N 3Å |
| 976 | C | 77.6 | Confident | 69.7 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 45% | 0.446 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.3 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | I972 S979 Q980 | I972-C976 WeakPolarHBondContact O-CB 3.43Å; I972-C976 PolarHBondContact O-N 2.87Å; I972-C976 PolarHBondContact O-SG 3.36Å; C976-S979 WeakPolarHBondContact O-CB 3.26Å; C976-S979 PolarHBondContact O-N 3.48Å; C976-Q980 WeakPolarHBondContact O-CG 3.44Å; C976-Q980 PolarHBondContact O-N 3.01Å |
| 977 | C | 67.2 | Low | 68.9 | Low | 30 Ų | 30 | 82.5 Ų | 82.5 | 20% | 0.203 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -80.9 | -28 | -177.4 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | P621 Q973 Y974 F975 W981 | P621-C977 HydrophobicContact CG-CB 3.71Å; P621-C977 WeakPolarHBondContact CG-SG 3.21Å; Q973-C977 WeakPolarHBondContact O-CB 3.38Å; Q973-C977 PolarHBondContact O-N 2.86Å; Q973-C977 PolarHBondContact O-SG 2.87Å; Y974-C977 PolarHBondContact O-N 3.44Å; F975-C977 VanDerWaalsContact C-N 3.32Å; F975-C977 PolarHBondContact O-N 3.33Å; C977-W981 VanDerWaalsContact O-CB 3.3Å; C977-W981 WeakPolarHBondContact O-CB 3.33Å; C977-W981 PolarHBondContact O-N 3.27Å |
| 978 | Y | 66.8 | Low | 67.8 | Low | 108 Ų | 108 | 87.1 Ų | 87.1 | 42% | 0.424 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 165.4 | 176.9 | -97.7 | 0 | 0 | 0 | 111.2 | Y974 F975 W981 K982 | Y974-Y978 VanDerWaalsContact O-CB 3.26Å; Y974-Y978 WeakPolarHBondContact O-CB 3.26Å; Y974-Y978 PolarHBondContact O-N 3.18Å; F975-Y978 PolarHBondContact O-N 3.44Å; Y978-W981 PolarHBondContact O-N 3.06Å; Y978-K982 HydrophobicContact CE1-CD 4.29Å; Y978-K982 VanDerWaalsContact O-CB 3.32Å; Y978-K982 WeakPolarHBondContact O-CB 3.43Å; Y978-K982 PolarHBondContact O-N 3.25Å |
| 979 | S | 62.7 | Low | 66.6 | Low | 71 Ų | 71 | 89.7 Ų | 89.7 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | F975 C976 W981 K982 L983 | F975-S979 WeakPolarHBondContact O-CB 3.32Å; F975-S979 PolarHBondContact O-N 3Å; C976-S979 WeakPolarHBondContact O-CB 3.26Å; C976-S979 PolarHBondContact O-N 3.48Å; S979-W981 VanDerWaalsContact C-N 3.34Å; S979-W981 PolarHBondContact O-N 3.15Å; S979-K982 PolarHBondContact O-N 3.04Å; S979-L983 WeakPolarHBondContact O-CB 3.45Å; S979-L983 PolarHBondContact O-N 2.94Å |
| 980 | Q | 61.2 | Low | 65.5 | Low | 123 Ų | 123 | 92.1 Ų | 92.1 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60 | -39.2 | 175.8 | -73.6 | 177.4 | -32.1 | 0 | 0 | 112.9 | C976 G984 | C976-Q980 WeakPolarHBondContact O-CG 3.44Å; C976-Q980 PolarHBondContact O-N 3.01Å; Q980-G984 PolarHBondContact O-N 3.42Å |
| 981 | W | 60.7 | Low | 64.8 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 31% | 0.311 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 175.9 | -178.3 | 83.9 | 0 | 0 | 0 | 112.1 | C977 Y978 S979 L983 G984 R985 | C977-W981 VanDerWaalsContact O-CB 3.3Å; C977-W981 WeakPolarHBondContact O-CB 3.33Å; C977-W981 PolarHBondContact O-N 3.27Å; Y978-W981 PolarHBondContact O-N 3.06Å; S979-W981 VanDerWaalsContact C-N 3.34Å; S979-W981 PolarHBondContact O-N 3.15Å; W981-L983 PolarHBondContact O-N 3.32Å; W981-G984 CarbonylContact O-C 3.5Å; W981-G984 PolarHBondContact O-N 2.93Å; W981-R985 WeakPolarHBondContact O-CB 3.21Å; W981-R985 PolarHBondContact O-N 3.05Å |
| 982 | K | 58 | Low | 63.8 | Low | 124 Ų | 124 | 93.1 Ų | 93.1 | 54% | 0.539 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 176.1 | -170.3 | 174.2 | -179.3 | 179.9 | 0 | 111 | Y978 S979 R985 T986 | Y978-K982 HydrophobicContact CE1-CD 4.29Å; Y978-K982 VanDerWaalsContact O-CB 3.32Å; Y978-K982 WeakPolarHBondContact O-CB 3.43Å; Y978-K982 PolarHBondContact O-N 3.25Å; S979-K982 PolarHBondContact O-N 3.04Å; K982-R985 PolarHBondContact O-N 2.69Å; K982-T986 PolarHBondContact O-N 3.39Å; K982-T986 PolarHBondContact O-OG1 2.89Å |
| 983 | L | 61.7 | Low | 62.8 | Low | 105 Ų | 105 | 93.3 Ų | 93.3 | 55% | 0.55 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175 | -165.7 | 71.1 | 0 | 0 | 0 | 112.1 | S979 W981 R985 T986 L987 | S979-L983 WeakPolarHBondContact O-CB 3.45Å; S979-L983 PolarHBondContact O-N 2.94Å; W981-L983 PolarHBondContact O-N 3.32Å; L983-R985 PolarHBondContact O-N 2.74Å; L983-T986 WeakPolarHBondContact CA-OG1 3.49Å; L983-T986 PolarHBondContact O-N 2.69Å; L983-T986 PolarHBondContact O-OG1 2.88Å; L983-L987 HydrophobicContact CG-CD1 4.2Å; L983-L987 WeakPolarHBondContact O-CB 3.39Å; L983-L987 WeakPolarHBondContact O-CG 3.39Å; L983-L987 PolarHBondContact O-N 3.43Å |
| 984 | G | 61.1 | Low | 61.9 | Low | 24 Ų | 24 | 95.2 Ų | 95.2 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -70.5 | -10.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q980 W981 R988 | Q980-G984 PolarHBondContact O-N 3.42Å; W981-G984 CarbonylContact O-C 3.5Å; W981-G984 PolarHBondContact O-N 2.93Å; G984-R988 PolarHBondContact O-NE 3.19Å |
| 985 | R | 59.1 | Low | 61.1 | Low | 105 Ų | 105 | 96.7 Ų | 96.7 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -97.4 | -33 | 173.3 | -149.2 | 173.5 | -170.1 | -148.4 | 3.5 | 111.4 | W981 K982 L983 K989 D1022 | W981-R985 WeakPolarHBondContact O-CB 3.21Å; W981-R985 PolarHBondContact O-N 3.05Å; K982-R985 PolarHBondContact O-N 2.69Å; L983-R985 PolarHBondContact O-N 2.74Å; R985-K989 PolarHBondContact O-N 3.2Å; R985-D1022 IonicContact CZ-OD1 3.66Å; R985-D1022 IonicContact CZ-OD2 3.5Å; R985-D1022 IonicContact NE-OD2 3.45Å; R985-D1022 PolarHBondContact NE-OD2 3.05Å; R985-D1022 IonicContact NH2-OD1 3.1Å; R985-D1022 IonicContact NH2-OD2 3.82Å; R985-D1022 PolarHBondContact NH2-OD2 2.04Å |
| 986 | T | 57.4 | Low | 60.3 | Low | 75 Ų | 75 | 96.4 Ų | 96.4 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.4 | -42.4 | 168.9 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | K982 L983 R988 K989 F990 | K982-T986 PolarHBondContact O-N 3.39Å; K982-T986 PolarHBondContact O-OG1 2.89Å; L983-T986 WeakPolarHBondContact CA-OG1 3.49Å; L983-T986 PolarHBondContact O-N 2.69Å; L983-T986 PolarHBondContact O-OG1 2.88Å; T986-R988 VanDerWaalsContact C-N 3.34Å; T986-R988 PolarHBondContact O-N 3.42Å; T986-K989 PolarHBondContact O-N 3.49Å; T986-K989 VanDerWaalsContact O-N 3.15Å; T986-F990 PolarHBondContact O-N 2.94Å |
| 987 | L | 61 | Low | 59 | Low | 109 Ų | 109 | 98.5 Ų | 98.5 | 57% | 0.571 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 174.4 | -81.7 | 165 | 0 | 0 | 0 | 112.2 | L983 K989 F990 D991 | L983-L987 HydrophobicContact CG-CD1 4.2Å; L983-L987 WeakPolarHBondContact O-CB 3.39Å; L983-L987 WeakPolarHBondContact O-CG 3.39Å; L983-L987 PolarHBondContact O-N 3.43Å; L987-K989 PolarHBondContact O-N 3.31Å; L987-F990 WeakPolarHBondContact O-CB 3.26Å; L987-F990 PolarHBondContact O-N 2.76Å; L987-D991 WeakPolarHBondContact O-CB 3.34Å; L987-D991 PolarHBondContact O-N 3.24Å |
| 988 | R | 55.8 | Low | 58.2 | Low | 123 Ų | 123 | 104.8 Ų | 104.8 | 46% | 0.464 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 175.9 | -84.3 | -176.3 | -76.7 | 176.9 | -2.4 | 113.7 | G984 T986 S992 | G984-R988 PolarHBondContact O-NE 3.19Å; T986-R988 VanDerWaalsContact C-N 3.34Å; T986-R988 PolarHBondContact O-N 3.42Å; R988-S992 PolarHBondContact O-N 3.1Å; R988-S992 PolarHBondContact O-OG 2.84Å |
| 989 | K | 56.2 | Low | 57.4 | Low | 148 Ų | 148 | 102.5 Ų | 102.5 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -40.5 | 170 | -77.7 | -168.1 | 171.7 | -163.7 | 0 | 112.1 | R985 T986 L987 S992 L993 | R985-K989 PolarHBondContact O-N 3.2Å; T986-K989 PolarHBondContact O-N 3.49Å; T986-K989 VanDerWaalsContact O-N 3.15Å; L987-K989 PolarHBondContact O-N 3.31Å; K989-S992 WeakPolarHBondContact CA-OG 3.43Å; K989-S992 PolarHBondContact O-N 3.06Å; K989-S992 PolarHBondContact O-OG 3.38Å; K989-L993 PolarHBondContact O-N 3.25Å; K989-L993 VanDerWaalsContact O-N 3.1Å |
| 990 | F | 58.1 | Low | 56.7 | Low | 144 Ų | 144 | 107.2 Ų | 107.2 | 63% | 0.632 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 173.8 | -114.5 | -86.7 | 0 | 0 | 0 | 111.9 | T986 L987 S992 L993 T994 | T986-F990 PolarHBondContact O-N 2.94Å; L987-F990 WeakPolarHBondContact O-CB 3.26Å; L987-F990 PolarHBondContact O-N 2.76Å; F990-S992 PolarHBondContact O-N 3.42Å; F990-L993 WeakPolarHBondContact O-CB 3.47Å; F990-L993 PolarHBondContact O-N 3.27Å; F990-L993 VanDerWaalsContact O-N 3.1Å; F990-T994 PolarHBondContact O-N 3.37Å; F990-T994 PolarHBondContact O-OG1 3.42Å |
| 991 | D | 56 | Low | 55.9 | Low | 69 Ų | 69 | 108.3 Ų | 108.3 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -33.5 | 179.1 | -164.6 | 62.2 | 0 | 0 | 0 | 112.8 | L987 T994 R995 | L987-D991 WeakPolarHBondContact O-CB 3.34Å; L987-D991 PolarHBondContact O-N 3.24Å; D991-T994 WeakPolarHBondContact CA-OG1 3.48Å; D991-T994 PolarHBondContact O-OG1 3.24Å; D991-R995 WeakPolarHBondContact O-CB 3.48Å; D991-R995 WeakPolarHBondContact O-CG 3.36Å; D991-R995 PolarHBondContact O-N 2.84Å; D991-R995 VanDerWaalsContact O-N 3.14Å; D991-R995 IonicContact OD2-CZ 3.83Å; D991-R995 VanDerWaalsContact OD2-CZ 3.23Å; D991-R995 IonicContact OD2-NE 3.17Å; D991-R995 PolarHBondContact OD2-NE 3.5Å; D991-R995 IonicContact OD2-NH2 3.58Å; D991-R995 PolarHBondContact OD2-NH2 3.06Å |
| 992 | S | 56.8 | Low | 54.7 | Low | 60 Ų | 60 | 111.5 Ų | 111.5 | 42% | 0.42 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.6 | -35.6 | 168.8 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | R988 K989 F990 L996 | R988-S992 PolarHBondContact O-N 3.1Å; R988-S992 PolarHBondContact O-OG 2.84Å; K989-S992 WeakPolarHBondContact CA-OG 3.43Å; K989-S992 PolarHBondContact O-N 3.06Å; K989-S992 PolarHBondContact O-OG 3.38Å; F990-S992 PolarHBondContact O-N 3.42Å; S992-L996 WeakPolarHBondContact O-CG 3.26Å; S992-L996 PolarHBondContact O-N 3.01Å; S992-L996 VanDerWaalsContact O-N 3.11Å |
| 993 | L | 57.4 | Low | 53.3 | Low | 97 Ų | 97 | 109.5 Ų | 109.5 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.1 | -41 | 177.7 | -95.3 | 159.1 | 0 | 0 | 0 | 112.4 | K989 F990 R995 L996 L997 | K989-L993 PolarHBondContact O-N 3.25Å; K989-L993 VanDerWaalsContact O-N 3.1Å; F990-L993 WeakPolarHBondContact O-CB 3.47Å; F990-L993 PolarHBondContact O-N 3.27Å; F990-L993 VanDerWaalsContact O-N 3.1Å; L993-R995 VanDerWaalsContact C-N 3.34Å; L993-L996 PolarHBondContact O-N 3.2Å; L993-L997 WeakPolarHBondContact O-CG 3.37Å; L993-L997 PolarHBondContact O-N 3.19Å |
| 994 | T | 58.1 | Low | 51.8 | Low | 66 Ų | 66 | 107.7 Ų | 107.7 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.8 | -28.3 | 176 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | F990 D991 K998 | F990-T994 PolarHBondContact O-N 3.37Å; F990-T994 PolarHBondContact O-OG1 3.42Å; D991-T994 WeakPolarHBondContact CA-OG1 3.48Å; D991-T994 PolarHBondContact O-OG1 3.24Å; T994-K998 WeakPolarHBondContact O-CB 3.06Å; T994-K998 PolarHBondContact O-N 3.31Å |
| 995 | R | 55.6 | Low | 50.3 | Low | 174 Ų | 174 | 112 Ų | 112 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 168.3 | -71.6 | 172.7 | -159.2 | -144.1 | 7.4 | 112.3 | D991 L993 K998 G999 | D991-R995 WeakPolarHBondContact O-CB 3.48Å; D991-R995 WeakPolarHBondContact O-CG 3.36Å; D991-R995 PolarHBondContact O-N 2.84Å; D991-R995 VanDerWaalsContact O-N 3.14Å; D991-R995 IonicContact OD2-CZ 3.83Å; D991-R995 VanDerWaalsContact OD2-CZ 3.23Å; D991-R995 IonicContact OD2-NE 3.17Å; D991-R995 PolarHBondContact OD2-NE 3.5Å; D991-R995 IonicContact OD2-NH2 3.58Å; D991-R995 PolarHBondContact OD2-NH2 3.06Å; L993-R995 VanDerWaalsContact C-N 3.34Å; R995-K998 PolarHBondContact O-N 2.79Å; R995-G999 PolarHBondContact O-N 2.75Å |
| 996 | L | 57.1 | Low | 49 | Very low | 122 Ų | 122 | 114 Ų | 114 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63 | -44.4 | 173.9 | -76.8 | 164.6 | 0 | 0 | 0 | 111.7 | S992 L993 G999 Q1000 | S992-L996 WeakPolarHBondContact O-CG 3.26Å; S992-L996 PolarHBondContact O-N 3.01Å; S992-L996 VanDerWaalsContact O-N 3.11Å; L993-L996 PolarHBondContact O-N 3.2Å; L996-G999 PolarHBondContact O-N 3.15Å; L996-G999 VanDerWaalsContact O-N 3.17Å; L996-Q1000 PolarHBondContact O-N 3.4Å; L996-Q1000 VanDerWaalsContact O-N 3.13Å |
| 997 | L | 52.2 | Low | 47.6 | Very low | 109 Ų | 109 | 115 Ų | 115 | 57% | 0.571 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.1 | -39.5 | 177.4 | -74.6 | 164.2 | 0 | 0 | 0 | 112.9 | L993 G999 Q1000 L1001 | L993-L997 WeakPolarHBondContact O-CG 3.37Å; L993-L997 PolarHBondContact O-N 3.19Å; L997-G999 VanDerWaalsContact C-N 3.32Å; L997-Q1000 PolarHBondContact O-N 2.9Å; L997-L1001 PolarHBondContact O-N 3.09Å |
| 998 | K | 49.8 | Very low | 46.2 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.3 | -32.5 | 170.5 | -82.4 | -168.5 | 170.4 | -172.6 | 0 | 112.7 | T994 R995 Q1000 L1001 | T994-K998 WeakPolarHBondContact O-CB 3.06Å; T994-K998 PolarHBondContact O-N 3.31Å; R995-K998 PolarHBondContact O-N 2.79Å; K998-Q1000 VanDerWaalsContact C-N 3.27Å; K998-Q1000 PolarHBondContact O-N 3.39Å; K998-L1001 PolarHBondContact O-N 3.3Å |
| 999 | G | 49.4 | Very low | 44.7 | Very low | 59 Ų | 59 | 118.2 Ų | 118.2 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.5 | -27.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R995 L996 L997 | R995-G999 PolarHBondContact O-N 2.75Å; L996-G999 PolarHBondContact O-N 3.15Å; L996-G999 VanDerWaalsContact O-N 3.17Å; L997-G999 VanDerWaalsContact C-N 3.32Å |
| 1000 | Q | 47.3 | Very low | 43.4 | Very low | 171 Ų | 171 | 116.7 Ų | 116.7 | 80% | 0.799 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -87.1 | -12.4 | 176.7 | -68.6 | -130.5 | -87.7 | 0 | 0 | 114.8 | L996 L997 K998 | L996-Q1000 PolarHBondContact O-N 3.4Å; L996-Q1000 VanDerWaalsContact O-N 3.13Å; L997-Q1000 PolarHBondContact O-N 2.9Å; K998-Q1000 VanDerWaalsContact C-N 3.27Å; K998-Q1000 PolarHBondContact O-N 3.39Å |
| 1001 | L | 45.2 | Very low | 41.8 | Very low | 145 Ų | 145 | 115 Ų | 115 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -94 | -13.5 | -178.9 | -82.2 | 162.3 | 0 | 0 | 0 | 114.2 | L997 K998 | L997-L1001 PolarHBondContact O-N 3.09Å; K998-L1001 PolarHBondContact O-N 3.3Å |
| 1002 | N | 35.7 | Very low | 40.3 | Very low | 150 Ų | 150 | 120 Ų | 120 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | trans | -107.4 | 61.2 | 176.8 | -77.5 | 18.3 | 0 | 0 | 0 | 111.7 | G1004 | N1002-G1004 PolarHBondContact O-N 2.66Š| ||
| 1003 | G | 29.4 | Very low | 38.9 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | -80.6 | 101.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1004 | G | 28.2 | Very low | 37.3 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -167.3 | 100.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N1002 | N1002-G1004 PolarHBondContact O-N 2.66Š| ||
| 1005 | S | 30.4 | Very low | 35.7 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 74 | 130.7 | 153.1 | -58.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1006 | T | 32.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | trans | 66.7 | 133.2 | 156.2 | 53.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1007 | A | 27.1 | Very low | 32.6 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -120.4 | 156.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1008 | I | 31.7 | Very low | 31.2 | Very low | 170 Ų | 170 | 129 Ų | 129 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -158 | 149.8 | 155 | -103.3 | 151.1 | 0 | 0 | 0 | 107.8 | ||||
| 1009 | C | 24.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -81 | 136.7 | -169.6 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1010 | S | 28.5 | Very low | 28.8 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -151.3 | 140.9 | 148.1 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1011 | A | 24.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -101.7 | 110.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1012 | E | 25.1 | Very low | 26.5 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -118 | 134.4 | 167 | -71.6 | -162.9 | 132.7 | 0 | 0 | 110.8 | L1014 | E1012-L1014 PolarHBondContact O-N 3.36Å; E1012-L1014 VanDerWaalsContact O-N 3.16Å | ||
| 1013 | P | 25.8 | Very low | 26 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 106 | 169.4 | 29.9 | -31.5 | 0 | 0 | 0 | 109.3 | I1015 | P1013-I1015 PolarHBondContact O-N 3.06Š| ||
| 1014 | L | 25.2 | Very low | 25.7 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -45.5 | 112.3 | -177.4 | -101.5 | 163.6 | 0 | 0 | 0 | 112.6 | E1012 H1016 | E1012-L1014 PolarHBondContact O-N 3.36Å; E1012-L1014 VanDerWaalsContact O-N 3.16Å; L1014-H1016 PolarHBondContact O-N 3.48Å | ||
| 1015 | I | 24.1 | Very low | 25.6 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -62.9 | 109.8 | 171.4 | -63.8 | 174.2 | 0 | 0 | 0 | 107.5 | P1013 T1017 | P1013-I1015 PolarHBondContact O-N 3.06Å; I1015-T1017 VanDerWaalsContact C-N 3.28Å; I1015-T1017 HydrophobicContact CG2-CG2 4.29Å; I1015-T1017 PolarHBondContact O-N 3.03Å | ||
| 1016 | H | 24.4 | Very low | 25.3 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -64.3 | 89.8 | 170.3 | -104 | -87 | 0 | 0 | 0 | 109.7 | L1014 A1018 | L1014-H1016 PolarHBondContact O-N 3.48Å; H1016-A1018 PolarHBondContact O-N 3.19Å | ||
| 1017 | T | 22.4 | Very low | 24.9 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | -71.4 | 64.2 | 162.5 | 56 | 0 | 0 | 0 | 0 | 109 | I1015 S1019 | I1015-T1017 VanDerWaalsContact C-N 3.28Å; I1015-T1017 HydrophobicContact CG2-CG2 4.29Å; I1015-T1017 PolarHBondContact O-N 3.03Å; T1017-S1019 PolarHBondContact O-N 2.97Å | ||
| 1018 | A | 23.2 | Very low | 24.9 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -66.9 | 105.3 | -179 | 0 | 0 | 0 | 0 | 0 | 109.5 | H1016 | H1016-A1018 PolarHBondContact O-N 3.19Š| ||
| 1019 | S | 22.6 | Very low | 24.8 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | trans | -25.7 | 137 | 176.7 | -173.5 | 0 | 0 | 0 | 0 | 115.9 | T1017 | T1017-S1019 PolarHBondContact O-N 2.97Š| ||
| 1020 | Y | 25.6 | Very low | 24.8 | Very low | 219 Ų | 219 | 133 Ų | 133 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -46.5 | 142.9 | 153.3 | -96.6 | -115.7 | 0 | 0 | 0 | 111.3 | ||
| 1021 | A | 23.9 | Very low | 24.9 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 53% | 0.529 | 74% | 0.738 | S | S | . | * | trans | 64.6 | 96.9 | 173 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1022 | D | 22.2 | Very low | 25.2 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 43% | 0.433 | 73% | 0.734 | S | S | . | * | -154.2 | 129.8 | 110.7 | -100.3 | -36 | 0 | 0 | 0 | 111.5 | R985 | R985-D1022 IonicContact CZ-OD1 3.66Å; R985-D1022 IonicContact CZ-OD2 3.5Å; R985-D1022 IonicContact NE-OD2 3.45Å; R985-D1022 PolarHBondContact NE-OD2 3.05Å; R985-D1022 IonicContact NH2-OD1 3.1Å; R985-D1022 IonicContact NH2-OD2 3.82Å; R985-D1022 PolarHBondContact NH2-OD2 2.04Å | |||
| 1023 | H | 23.8 | Very low | 25.3 | Very low | 205 Ų | 205 | 132.9 Ų | 132.9 | 95% | 0.949 | 74% | 0.737 | S | S | * | * | trans | -169.7 | 82.6 | 154.8 | -99.9 | -57.4 | 0 | 0 | 0 | 108 | ||||
| 1024 | S | 24.6 | Very low | 25.4 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 45% | 0.448 | 74% | 0.743 | S | S | . | * | trans | -149.6 | 149.9 | 176.1 | 61.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1025 | L | 25.6 | Very low | 25.4 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 74.5 | 146.4 | -167.1 | -45.5 | 169.4 | 0 | 0 | 0 | 111 | ||||
| 1026 | C | 23.3 | Very low | 25.7 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -106.6 | 154.5 | 15.9 | -62.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1027 | W | 25 | Very low | 25.7 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 57% | 0.568 | 75% | 0.754 | S | S | * | * | trans | -131.8 | 141.6 | 148.4 | -85.9 | 78.9 | 0 | 0 | 0 | 106.6 | F767 | F767-W1027 HydrophobicContact CB-CH2 3.94Å; F767-W1027 HydrophobicContact CB-CZ3 4.34Å; F767-W1027 AromaticContact CD2-CH2 3.61Å; F767-W1027 HydrophobicContact CD2-CH2 3.61Å; F767-W1027 HydrophobicContact CD2-CZ3 4.16Å; F767-W1027 HydrophobicContact CE2-CH2 4.35Å; F767-W1027 AromaticContact CG-CH2 3.99Å; F767-W1027 HydrophobicContact CG-CH2 3.99Å; F767-W1027 HydrophobicContact CG-CZ3 4.28Å | ||
| 1028 | P | 26.3 | Very low | 26 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 139.9 | 173.2 | 28.8 | -33.8 | 0 | 0 | 0 | 110.1 | ||
| 1029 | V | 30.2 | Very low | 26.2 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 130.6 | 172.2 | 174.1 | 0 | 0 | 0 | 0 | 108.1 | P1031 | V1029-P1031 WeakPolarHBondContact O-CD 3.46Š|
| 1030 | F | 24.1 | Very low | 26.3 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 117.3 | 158.8 | -89.1 | -91.1 | 0 | 0 | 0 | 108.5 | ||
| 1031 | P | 31.4 | Very low | 26.4 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 148 | 161.5 | -7.8 | 27.3 | 0 | 0 | 0 | 109.7 | V1029 | V1029-P1031 WeakPolarHBondContact O-CD 3.46Š|
| 1032 | S | 30.3 | Very low | 26.6 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.3 | 173.5 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | L1034 | S1032-L1034 PolarHBondContact O-N 2.84Š|
| 1033 | L | 26.5 | Very low | 26.7 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 134.4 | 170.7 | -74.5 | 68.6 | 0 | 0 | 0 | 111.3 | ||
| 1034 | L | 29.5 | Very low | 26.8 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -171.6 | 117.4 | 142.6 | -108.2 | 164 | 0 | 0 | 0 | 111.1 | S1032 | S1032-L1034 PolarHBondContact O-N 2.84Š| ||
| 1035 | G | 25.3 | Very low | 26.7 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | 56.4 | 112.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1036 | G | 28.8 | Very low | 26.8 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | 157.9 | 107.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1037 | Q | 25.1 | Very low | 26.7 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -88 | 144.8 | 167.5 | -66 | 172.9 | -51.4 | 0 | 0 | 109.9 | ||||
| 1038 | L | 29.1 | Very low | 26.8 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -175.3 | 119.7 | 130.4 | -99.8 | 160.1 | 0 | 0 | 0 | 112.4 | ||||
| 1039 | T | 28 | Very low | 26.6 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | 20.4 | 132.4 | 150.8 | 51.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1040 | A | 24.1 | Very low | 26.3 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -63.2 | 158.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1041 | V | 28 | Very low | 26.3 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -135.4 | 161.8 | 150.6 | -180 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1042 | Q | 27.8 | Very low | 26 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -77.3 | 160.1 | -158 | -64.7 | 144.3 | -85.7 | 0 | 0 | 117.5 | ||||
| 1043 | L | 23.1 | Very low | 25.9 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -71.5 | 140.3 | 156.1 | -86.3 | 142 | 0 | 0 | 0 | 111.2 | ||||
| 1044 | Q | 26.8 | Very low | 25.9 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -150.8 | 148.8 | 141.8 | -126.7 | 171.7 | 0.2 | 0 | 0 | 113.9 | ||||
| 1045 | S | 22.8 | Very low | 25.6 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | trans | -43.6 | 142.3 | -175.7 | 50.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1046 | I | 27.1 | Very low | 25.8 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -125.1 | 126.6 | 137.3 | -66.1 | -177.4 | 0 | 0 | 0 | 108.2 | ||||
| 1047 | H | 22.2 | Very low | 25.6 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -73.1 | 139.2 | 172.9 | -106.2 | -106.4 | 0 | 0 | 0 | 110.8 | S1049 | H1047-S1049 PolarHBondContact ND1-OG 3.44Š| ||
| 1048 | L | 27.1 | Very low | 25.5 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -150.2 | 64 | 157.3 | -120.2 | 167.1 | 0 | 0 | 0 | 111.6 | H1050 | L1048-H1050 PolarHBondContact O-N 3.25Š| ||
| 1049 | S | 21.4 | Very low | 25.4 | Very low | 82 Ų | 82 | 152.9 Ų | 152.9 | 57% | 0.573 | 80% | 0.798 | S | S | * | * | trans | -83 | 102.3 | 173.1 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | H1047 | H1047-S1049 PolarHBondContact ND1-OG 3.44Š| ||
| 1050 | H | 24.8 | Very low | 25.3 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -168.6 | 152.8 | 150.5 | -107.5 | -71.6 | 0 | 0 | 0 | 112.3 | L1048 | L1048-H1050 PolarHBondContact O-N 3.25Š| ||
| 1051 | L | 23.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 65.5 | 65.1 | 161.1 | -64.1 | 166.8 | 0 | 0 | 0 | 118.6 | ||||
| 1052 | Y | 24.1 | Very low | 25.3 | Very low | 229 Ų | 229 | 156.7 Ų | 156.7 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -134.3 | 103.5 | 142 | -91.3 | -82.1 | 0 | 0 | 0 | 110 | ||||
| 1053 | P | 28.9 | Very low | 25.1 | Very low | 115 Ų | 115 | 153 Ų | 153 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 151 | 170.2 | 30.7 | -32.9 | 0 | 0 | 0 | 111.3 | ||||
| 1054 | Q | 26 | Very low | 25.2 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -102.1 | 135.7 | -164.9 | -78.2 | 176.5 | -24.1 | 0 | 0 | 114 | ||||
| 1055 | F | 24.4 | Very low | 25.2 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | 53.2 | -170.3 | 145.1 | -71.2 | -65.5 | 0 | 0 | 0 | 117.1 | ||||
| 1056 | P | 29.1 | Very low | 25.3 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | cis | -115.6 | 163.1 | -23.7 | 36.3 | -22.9 | 0 | 0 | 0 | 113.8 | ||||
| 1057 | Y | 24.7 | Very low | 25.2 | Very low | 235 Ų | 235 | 149.7 Ų | 149.7 | 92% | 0.922 | 77% | 0.773 | S | S | * | * | trans | -167.6 | 78.1 | 136.9 | -111.8 | -67.7 | 0 | 0 | 0 | 109 | ||||
| 1058 | V | 23.1 | Very low | 25.4 | Very low | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -134.7 | 108.2 | 164.3 | 173.8 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1059 | D | 26.3 | Very low | 25.3 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -154.2 | 140.4 | 161 | -105.2 | -34.6 | 0 | 0 | 0 | 112.7 | ||||
| 1060 | H | 25.6 | Very low | 25.5 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | trans | 24.4 | 109.5 | 163 | -66.2 | -73.4 | 0 | 0 | 0 | 121.2 | L1062 | H1060-L1062 HydrophobicContact CB-CD1 4.22Å; H1060-L1062 WeakPolarHBondContact ND1-CD1 3.09Å | ||
| 1061 | L | 26.4 | Very low | 25.7 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | -133.7 | 125.5 | 117.1 | -137.1 | 157.3 | 0 | 0 | 0 | 109.1 | |||||
| 1062 | L | 25.3 | Very low | 25.7 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 148 | -172.7 | -70.4 | 73.1 | 0 | 0 | 0 | 111.4 | H1060 | H1060-L1062 HydrophobicContact CB-CD1 4.22Å; H1060-L1062 WeakPolarHBondContact ND1-CD1 3.09Å | ||
| 1063 | C | 24.5 | Very low | 25.9 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | 162.4 | 92.4 | 123 | -89.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1064 | C | 24.2 | Very low | 25.9 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | 178.5 | 91.3 | 139.5 | -106.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1065 | P | 27 | Very low | 26 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -77.1 | -168.4 | 156.7 | 35.1 | -33.7 | 0 | 0 | 0 | 110.6 | ||||
| 1066 | V | 25.3 | Very low | 26.4 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | 75.7 | 79.8 | 178.7 | -166.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1067 | F | 25.3 | Very low | 26.3 | Very low | 210 Ų | 210 | 138.1 Ų | 138.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -163 | 50.7 | 139.8 | -119.9 | -67.6 | 0 | 0 | 0 | 114.7 | ||
| 1068 | S | 26.5 | Very low | 26.7 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 63.1 | 174 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1069 | S | 24.6 | Very low | 27 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -144.5 | 49.2 | 178.9 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1070 | L | 25.8 | Very low | 27.1 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | -154.2 | 51.1 | 179.9 | -124.3 | 168.9 | 0 | 0 | 0 | 113.2 | ||||
| 1071 | L | 29 | Very low | 27.2 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -152.9 | 90.8 | 163.1 | -110.7 | 169.3 | 0 | 0 | 0 | 108.4 | ||||
| 1072 | G | 24.2 | Very low | 27.2 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | -75.7 | 120.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1073 | G | 28.7 | Very low | 27.3 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | trans | -149.7 | 118.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1074 | Q | 29.1 | Very low | 27.5 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 85% | 0.852 | S | S | * | * | trans | -46.2 | 131.7 | -168.6 | -64.9 | 161 | -54.7 | 0 | 0 | 114.9 | ||||
| 1075 | L | 27.2 | Very low | 27.7 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 91% | 0.906 | 86% | 0.862 | S | S | * | * | trans | -118.1 | 83.7 | 157.2 | -83.6 | 171.7 | 0 | 0 | 0 | 109.4 | ||||
| 1076 | T | 32.1 | Very low | 27.8 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 79% | 0.791 | 87% | 0.869 | S | S | * | * | trans | -81.1 | 118.2 | 155.9 | 46.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1077 | G | 27.7 | Very low | 28 | Very low | 73 Ų | 73 | 148.7 Ų | 148.7 | 75% | 0.753 | 88% | 0.88 | S | S | * | * | trans | -81.2 | 170.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1078 | V | 32 | Very low | 28.2 | Very low | 148 Ų | 148 | 144 Ų | 144 | 90% | 0.897 | 88% | 0.877 | S | S | * | * | trans | -129.3 | 142.1 | 156.9 | 169.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1079 | Q | 29.6 | Very low | 28.3 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 88% | 0.88 | S | S | * | * | trans | -88.7 | 127.9 | 177.3 | -61.8 | 170 | -89.5 | 0 | 0 | 110.6 | ||||
| 1080 | L | 29.7 | Very low | 28.6 | Very low | 247 Ų | 247 | 149.1 Ų | 149.1 | 100% | 1.293 | 89% | 0.889 | S | S | * | * | trans | -173.9 | 0 | 134.5 | -102.5 | 162.5 | 0 | 0 | 0 | 110.2 |
Retrieved 1,080 of 1,080 residues in 330 ms
(Link to these results)