| 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 | 50.2 | Low | 76.7 | Confident | 243 Ų | 243 | 88.8 Ų | 88.8 | 100% | 1.197 | 48% | 0.476 | S | S | * | . | 0 | 126.3 | 0 | -71.9 | -180 | -173.1 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 3.27Å; M1-S3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | I | 67.7 | Low | 77 | Confident | 142 Ų | 142 | 89.3 Ų | 89.3 | 73% | 0.728 | 49% | 0.491 | S | S | * | . | trans | -66.2 | 112.2 | 175.2 | -61.6 | 166 | 0 | 0 | 0 | 106.6 | ||||
| 3 | S | 81.6 | Confident | 77.1 | Confident | 58 Ų | 58 | 92.7 Ų | 92.7 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | trans | -70.7 | 139.8 | 175.6 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | M1 C5 Y97 G98 | M1-S3 PolarHBondContact O-N 3.27Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-C5 WeakPolarHBondContact CB-O 3.23Å; S3-C5 PolarHBondContact OG-O 3.5Å; S3-C5 VanDerWaalsContact OG-O 3.1Å; S3-Y97 WeakPolarHBondContact OG-CD1 3.46Å; S3-Y97 WeakPolarHBondContact OG-CE1 3.45Å; S3-G98 PolarHBondContact O-N 3.33Å | ||
| 4 | F | 85.7 | Confident | 77.4 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -72.1 | -42.3 | -178.8 | -174.9 | -95.8 | 0 | 0 | 0 | 111.9 | L11 T27 G98 Y99 | F4-L11 HydrophobicContact CD1-CD1 3.95Å; F4-L11 HydrophobicContact CE1-CD1 3.91Å; F4-T27 HydrophobicContact CE1-CG2 4.02Å; F4-T27 WeakPolarHBondContact CE1-OG1 3.23Å; F4-T27 HydrophobicContact CZ-CG2 3.99Å; F4-G98 PolarHBondContact O-N 2.88Å; F4-Y99 WeakPolarHBondContact O-CD1 3.28Å; F4-Y99 PolarHBondContact O-N 3.09Å; F4-Y99 VanDerWaalsContact O-N 3.07Å |
| 5 | C | 85.5 | Confident | 77.6 | Confident | 16 Ų | 16 | 93.3 Ų | 93.3 | 11% | 0.108 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -109.9 | 166 | 172.3 | -60.8 | 0 | 0 | 0 | 0 | 111 | S3 E9 C23 Y97 | S3-C5 WeakPolarHBondContact CB-O 3.23Å; S3-C5 PolarHBondContact OG-O 3.5Å; S3-C5 VanDerWaalsContact OG-O 3.1Å; C5-E9 HydrophobicContact CB-CB 4.22Å; C5-E9 WeakPolarHBondContact CB-O 3.32Å; C5-C23 VanDerWaalsContact CA-SG 3.55Å; C5-C23 HydrophobicContact CB-CB 3.71Å; C5-C23 WeakPolarHBondContact CB-SG 3.44Å; C5-C23 WeakPolarHBondContact SG-CB 3.08Å; C5-C23 CovalentContact SG-SG 2.04Å; C5-C23 PolarHBondContact SG-SG 3.08Å; C5-Y97 WeakPolarHBondContact O-CD1 3.28Å |
| 6 | H | 79.6 | Confident | 77.4 | Confident | 64 Ų | 64 | 90.4 Ų | 90.4 | 30% | 0.296 | 48% | 0.476 | S | S | . | . | trans | -59.5 | 146.4 | 166.7 | -170.4 | -86.6 | 0 | 0 | 0 | 110.4 | N8 E9 Y97 | H6-N8 PolarHBondContact ND1-N 3.07Å; H6-N8 PolarHBondContact O-N 3.31Å; H6-E9 HydrophobicContact CB-CB 4.26Å; H6-E9 HydrophobicContact CB-CG 4.15Å; H6-E9 PolarHBondContact O-N 2.99Å; H6-Y97 HydrophobicContact CB-CE1 4.46Å; H6-Y97 HydrophobicContact CB-CE2 4.18Å; H6-Y97 AromaticContact CD2-CE2 3.61Å; H6-Y97 AromaticContact CD2-CZ 3.5Å; H6-Y97 VanDerWaalsContact CD2-CZ 3.5Å; H6-Y97 PolarHBondContact CD2-OH 2.77Å | ||
| 7 | P | 76.2 | Confident | 77.1 | Confident | 105 Ų | 105 | 89.7 Ų | 89.7 | 68% | 0.682 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -28.3 | -177.5 | 0.2 | -10.3 | 0 | 0 | 0 | 115.4 | ||
| 8 | N | 76 | Confident | 77.1 | Confident | 125 Ų | 125 | 90.7 Ų | 90.7 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.5 | 175.5 | -67.7 | -9.8 | 0 | 0 | 0 | 114.1 | H6 N16 | H6-N8 PolarHBondContact ND1-N 3.07Å; H6-N8 PolarHBondContact O-N 3.31Å; N8-N16 PolarHBondContact O-ND2 2.73Å |
| 9 | E | 80.5 | Confident | 77.2 | Confident | 26 Ų | 26 | 85.9 Ų | 85.9 | 12% | 0.121 | 45% | 0.453 | C | S | . | . | trans | -114.2 | 141.4 | -177.8 | -64.1 | -170.5 | 157.3 | 0 | 0 | 110.5 | C5 H6 R22 C23 | C5-E9 HydrophobicContact CB-CB 4.22Å; C5-E9 WeakPolarHBondContact CB-O 3.32Å; H6-E9 HydrophobicContact CB-CB 4.26Å; H6-E9 HydrophobicContact CB-CG 4.15Å; H6-E9 PolarHBondContact O-N 2.99Å; E9-R22 PolarHBondContact OE1-N 3.12Å; E9-R22 VanDerWaalsContact OE1-N 3.1Å; E9-C23 HydrophobicContact CB-CB 4.29Å; E9-C23 WeakPolarHBondContact OE2-CB 3.33Å; E9-C23 PolarHBondContact OE2-N 2.97Å | ||
| 10 | S | 80.6 | Confident | 77.6 | Confident | 37 Ų | 37 | 82.8 Ų | 82.8 | 26% | 0.259 | 44% | 0.437 | S | S | . | . | trans | -136.4 | 155.7 | 172.2 | 68.2 | 0 | 0 | 0 | 0 | 110.6 | S12 H13 | S10-S12 VanDerWaalsContact C-N 3.31Å; S10-S12 PolarHBondContact OG-OG 3.39Å; S10-H13 CarbonylContact O-C 3.45Å; S10-H13 WeakPolarHBondContact OG-CB 3.49Å; S10-H13 PolarHBondContact OG-CD2 2.74Å; S10-H13 PolarHBondContact OG-N 3.18Å | ||
| 11 | L | 79.9 | Confident | 78 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 42% | 0.419 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -72.4 | -27 | 172.9 | -74.4 | 160.1 | 0 | 0 | 0 | 112 | F4 F24 T27 | F4-L11 HydrophobicContact CD1-CD1 3.95Å; F4-L11 HydrophobicContact CE1-CD1 3.91Å; L11-F24 HydrophobicContact CD2-CD2 4.47Å; L11-T27 HydrophobicContact CD2-CG2 3.95Å |
| 12 | S | 80.1 | Confident | 79.7 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -78.1 | -28.9 | 179.6 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | S10 P14 | S10-S12 VanDerWaalsContact C-N 3.31Å; S10-S12 PolarHBondContact OG-OG 3.39Å; S12-P14 WeakPolarHBondContact O-CD 3.21Å |
| 13 | H | 79.3 | Confident | 80.7 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | trans | -110.6 | 83.7 | 172.4 | -60.3 | -68.9 | 0 | 0 | 0 | 109.7 | S10 W15 | S10-H13 CarbonylContact O-C 3.45Å; S10-H13 WeakPolarHBondContact OG-CB 3.49Å; S10-H13 PolarHBondContact OG-CD2 2.74Å; S10-H13 PolarHBondContact OG-N 3.18Å; H13-W15 PolarHBondContact O-N 2.95Å | ||
| 14 | P | 80.8 | Confident | 81 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 29% | 0.286 | 32% | 0.317 | S | S | . | . | trans | -67.8 | -26.7 | -176.3 | 27.5 | -35.9 | 0 | 0 | 0 | 112.8 | S12 L20 S21 F24 | S12-P14 WeakPolarHBondContact O-CD 3.21Å; P14-L20 HydrophobicContact CB-CD2 4.31Å; P14-L20 CarbonylContact O-C 3.55Å; P14-L20 VanDerWaalsContact O-CA 3.28Å; P14-L20 WeakPolarHBondContact O-CA 3.45Å; P14-S21 PolarHBondContact O-N 2.97Å; P14-F24 HydrophobicContact CB-CB 4.26Å; P14-F24 HydrophobicContact CB-CD1 3.59Å; P14-F24 HydrophobicContact CB-CD2 3.63Å; P14-F24 HydrophobicContact CB-CE1 3.69Å; P14-F24 HydrophobicContact CB-CE2 3.74Å; P14-F24 HydrophobicContact CB-CG 3.55Å; P14-F24 HydrophobicContact CB-CZ 3.77Å; P14-F24 HydrophobicContact CG-CE2 4.49Å; P14-F24 HydrophobicContact CG-CZ 4.48Å | ||
| 15 | W | 80.8 | Confident | 81.2 | Confident | 151 Ų | 151 | 57 Ų | 57 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113.3 | -178.7 | -163.5 | -84.2 | 0 | 0 | 0 | 110.5 | H13 G19 L20 V154 | H13-W15 PolarHBondContact O-N 2.95Å; W15-G19 CarbonylContact C-O 3.54Å; W15-G19 VanDerWaalsContact CA-O 3.27Å; W15-G19 WeakPolarHBondContact CA-O 3.41Å; W15-L20 HydrophobicContact CE3-CD2 4.2Å; W15-L20 HydrophobicContact CE3-CG 4.45Å; W15-V154 HydrophobicContact CZ3-CG1 4.43Å |
| 16 | N | 74.2 | Confident | 81.4 | Confident | 46 Ų | 46 | 58 Ų | 58 | 25% | 0.246 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147 | 176.8 | -163.8 | 12.6 | 0 | 0 | 0 | 110.2 | N8 N18 G19 | N8-N16 PolarHBondContact O-ND2 2.73Å; N16-N18 VanDerWaalsContact C-N 3.34Å; N16-N18 PolarHBondContact O-N 3.11Å; N16-G19 PolarHBondContact N-O 3.21Å; N16-G19 CarbonylContact O-C 3.5Å; N16-G19 PolarHBondContact O-N 3.27Å |
| 17 | N | 72.2 | Confident | 82 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 50.5 | 178.8 | -66.9 | -22.9 | 0 | 0 | 0 | 114.4 | G19 S158 D160 | N17-G19 VanDerWaalsContact C-N 3.29Å; N17-G19 PolarHBondContact O-N 3.4Å; N17-S158 WeakPolarHBondContact O-CA 3.4Å; N17-S158 WeakPolarHBondContact O-CB 3.45Å; N17-S158 PolarHBondContact O-OG 3.37Å; N17-D160 PolarHBondContact ND2-OD1 3.44Å; N17-D160 PolarHBondContact ND2-OD2 3.33Å |
| 18 | N | 77 | Confident | 82.6 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 57% | 0.572 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 29.4 | -179.3 | -64.3 | -17.3 | 0 | 0 | 0 | 115.6 | N16 | N16-N18 VanDerWaalsContact C-N 3.34Å; N16-N18 PolarHBondContact O-N 3.11Å |
| 19 | G | 79.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -171.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | W15 N16 N17 | W15-G19 CarbonylContact C-O 3.54Å; W15-G19 VanDerWaalsContact CA-O 3.27Å; W15-G19 WeakPolarHBondContact CA-O 3.41Å; N16-G19 PolarHBondContact N-O 3.21Å; N16-G19 CarbonylContact O-C 3.5Å; N16-G19 PolarHBondContact O-N 3.27Å; N17-G19 VanDerWaalsContact C-N 3.29Å; N17-G19 PolarHBondContact O-N 3.4Å |
| 20 | L | 84.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 136.3 | 174.3 | -64.5 | 165.8 | 0 | 0 | 0 | 110.2 | P14 W15 F24 V25 L151 V154 S155 W161 | P14-L20 HydrophobicContact CB-CD2 4.31Å; P14-L20 CarbonylContact O-C 3.55Å; P14-L20 VanDerWaalsContact O-CA 3.28Å; P14-L20 WeakPolarHBondContact O-CA 3.45Å; W15-L20 HydrophobicContact CE3-CD2 4.2Å; W15-L20 HydrophobicContact CE3-CG 4.45Å; L20-F24 HydrophobicContact CD2-CD1 4.1Å; L20-F24 HydrophobicContact CD2-CE1 4.16Å; L20-V25 HydrophobicContact CB-CG2 3.59Å; L20-V25 HydrophobicContact CD1-CG2 4.09Å; L20-V25 HydrophobicContact CG-CG2 4.45Å; L20-L151 HydrophobicContact CD1-CD1 4.37Å; L20-L151 HydrophobicContact CD1-CG 4.38Å; L20-V154 HydrophobicContact CD1-CB 4.4Å; L20-V154 HydrophobicContact CD1-CG1 4.28Å; L20-S155 WeakPolarHBondContact CB-OG 3.41Å; L20-S155 PolarHBondContact N-OG 3.25Å; L20-W161 PolarHBondContact O-NE1 3.46Å |
| 21 | S | 85.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -66.4 | 150.2 | 176 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | P14 C23 F24 V25 | P14-S21 PolarHBondContact O-N 2.97Å; S21-C23 PolarHBondContact O-N 3.1Å; S21-F24 PolarHBondContact O-N 3.45Å; S21-F24 WeakPolarHBondContact OG-CB 3.38Å; S21-F24 PolarHBondContact OG-N 3.35Å; S21-V25 PolarHBondContact O-N 3.41Å; S21-V25 VanDerWaalsContact O-N 3.12Å | ||
| 22 | R | 86.7 | Confident | 84.9 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | -179.8 | -67.5 | -172.8 | -177.6 | -143.4 | 3.7 | 110.6 | E9 F24 V25 H26 D160 W161 E173 | E9-R22 PolarHBondContact OE1-N 3.12Å; E9-R22 VanDerWaalsContact OE1-N 3.1Å; R22-F24 VanDerWaalsContact C-N 3.31Å; R22-F24 PolarHBondContact O-N 3.03Å; R22-V25 PolarHBondContact O-N 3.32Å; R22-H26 PolarHBondContact O-CD2 3.11Å; R22-H26 VanDerWaalsContact O-CD2 3.32Å; R22-H26 PolarHBondContact O-N 3.28Å; R22-D160 PolarHBondContact NE-O 3.16Å; R22-D160 PolarHBondContact NH2-O 2.86Å; R22-W161 HydrophobicContact CG-CH2 4.45Å; R22-W161 HydrophobicContact CG-CZ2 4.34Å; R22-E173 IonicContact CZ-OE2 3.2Å; R22-E173 IonicContact NH1-OE2 2.93Å; R22-E173 PolarHBondContact NH1-OE2 2.93Å; R22-E173 IonicContact NH2-OE2 3.96Å; R22-E173 PolarHBondContact NH2-OE2 3.49Å |
| 23 | C | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.3 | -44.8 | 177 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | C5 E9 S21 T27 Y99 | C5-C23 VanDerWaalsContact CA-SG 3.55Å; C5-C23 HydrophobicContact CB-CB 3.71Å; C5-C23 WeakPolarHBondContact CB-SG 3.44Å; C5-C23 WeakPolarHBondContact SG-CB 3.08Å; C5-C23 CovalentContact SG-SG 2.04Å; C5-C23 PolarHBondContact SG-SG 3.08Å; E9-C23 HydrophobicContact CB-CB 4.29Å; E9-C23 WeakPolarHBondContact OE2-CB 3.33Å; E9-C23 PolarHBondContact OE2-N 2.97Å; S21-C23 PolarHBondContact O-N 3.1Å; C23-T27 WeakPolarHBondContact O-CB 3.34Å; C23-T27 PolarHBondContact O-N 3.06Å; C23-T27 VanDerWaalsContact O-N 3.12Å; C23-T27 PolarHBondContact O-OG1 2.98Å; C23-Y99 HydrophobicContact CB-CD1 3.96Å; C23-Y99 HydrophobicContact CB-CE1 4.25Å; C23-Y99 HydrophobicContact CB-CG 4.19Å |
| 24 | F | 88.8 | Confident | 86.1 | Confident | 47 Ų | 47 | 36.4 Ų | 36.4 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -49 | 179.6 | -179.1 | -101.8 | 0 | 0 | 0 | 112 | L11 P14 L20 S21 R22 T27 L28 | L11-F24 HydrophobicContact CD2-CD2 4.47Å; P14-F24 HydrophobicContact CB-CB 4.26Å; P14-F24 HydrophobicContact CB-CD1 3.59Å; P14-F24 HydrophobicContact CB-CD2 3.63Å; P14-F24 HydrophobicContact CB-CE1 3.69Å; P14-F24 HydrophobicContact CB-CE2 3.74Å; P14-F24 HydrophobicContact CB-CG 3.55Å; P14-F24 HydrophobicContact CB-CZ 3.77Å; P14-F24 HydrophobicContact CG-CE2 4.49Å; P14-F24 HydrophobicContact CG-CZ 4.48Å; L20-F24 HydrophobicContact CD2-CD1 4.1Å; L20-F24 HydrophobicContact CD2-CE1 4.16Å; S21-F24 PolarHBondContact O-N 3.45Å; S21-F24 WeakPolarHBondContact OG-CB 3.38Å; S21-F24 PolarHBondContact OG-N 3.35Å; R22-F24 VanDerWaalsContact C-N 3.31Å; R22-F24 PolarHBondContact O-N 3.03Å; F24-T27 PolarHBondContact O-N 3.28Å; F24-L28 HydrophobicContact CE1-CD2 3.81Å; F24-L28 HydrophobicContact CZ-CD2 3.92Å; F24-L28 WeakPolarHBondContact O-CB 3.26Å; F24-L28 PolarHBondContact O-N 3.07Å |
| 25 | V | 88.8 | Confident | 86.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | -176.9 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | L20 S21 R22 S29 L151 W161 | L20-V25 HydrophobicContact CB-CG2 3.59Å; L20-V25 HydrophobicContact CD1-CG2 4.09Å; L20-V25 HydrophobicContact CG-CG2 4.45Å; S21-V25 PolarHBondContact O-N 3.41Å; S21-V25 VanDerWaalsContact O-N 3.12Å; R22-V25 PolarHBondContact O-N 3.32Å; V25-S29 VanDerWaalsContact O-CB 3.26Å; V25-S29 WeakPolarHBondContact O-CB 3.38Å; V25-S29 PolarHBondContact O-N 3.46Å; V25-S29 PolarHBondContact O-OG 2.93Å; V25-L151 HydrophobicContact CG1-CD2 4.09Å; V25-L151 HydrophobicContact CG1-CG 4.49Å; V25-L151 HydrophobicContact CG2-CD2 4.41Å; V25-W161 HydrophobicContact CB-CH2 4Å; V25-W161 HydrophobicContact CB-CZ2 4.16Å; V25-W161 HydrophobicContact CG1-CH2 3.91Å; V25-W161 HydrophobicContact CG1-CZ2 4.45Å; V25-W161 HydrophobicContact CG2-CH2 4.16Å; V25-W161 HydrophobicContact CG2-CZ2 3.86Å |
| 26 | H | 90.2 | Very high | 86.8 | Confident | 36 Ų | 36 | 38 Ų | 38 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | -179.2 | -79.1 | -76 | 0 | 0 | 0 | 112.5 | R22 S29 S30 Y99 | R22-H26 PolarHBondContact O-CD2 3.11Å; R22-H26 VanDerWaalsContact O-CD2 3.32Å; R22-H26 PolarHBondContact O-N 3.28Å; H26-S29 WeakPolarHBondContact CA-OG 3.44Å; H26-S29 PolarHBondContact O-OG 3.06Å; H26-S29 VanDerWaalsContact O-OG 3.13Å; H26-S30 WeakPolarHBondContact O-CB 3.31Å; H26-S30 PolarHBondContact O-N 2.98Å; H26-S30 VanDerWaalsContact O-N 3.12Å; H26-S30 PolarHBondContact O-OG 3.42Å; H26-Y99 HydrophobicContact CB-CD2 3.74Å; H26-Y99 HydrophobicContact CB-CE2 4.1Å |
| 27 | T | 91.8 | Very high | 87.6 | Confident | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -46.4 | 177.5 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | F4 L11 C23 F24 S31 | F4-T27 HydrophobicContact CE1-CG2 4.02Å; F4-T27 WeakPolarHBondContact CE1-OG1 3.23Å; F4-T27 HydrophobicContact CZ-CG2 3.99Å; L11-T27 HydrophobicContact CD2-CG2 3.95Å; C23-T27 WeakPolarHBondContact O-CB 3.34Å; C23-T27 PolarHBondContact O-N 3.06Å; C23-T27 VanDerWaalsContact O-N 3.12Å; C23-T27 PolarHBondContact O-OG1 2.98Å; F24-T27 PolarHBondContact O-N 3.28Å; T27-S31 WeakPolarHBondContact O-CB 3.02Å; T27-S31 PolarHBondContact O-N 3.41Å; T27-S31 PolarHBondContact O-OG 2.97Å |
| 28 | L | 89.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.8 | -51.7 | -180 | -177 | 69.7 | 0 | 0 | 0 | 111.3 | F24 S30 S31 I32 | F24-L28 HydrophobicContact CE1-CD2 3.81Å; F24-L28 HydrophobicContact CZ-CD2 3.92Å; F24-L28 WeakPolarHBondContact O-CB 3.26Å; F24-L28 PolarHBondContact O-N 3.07Å; L28-S30 PolarHBondContact O-N 3.34Å; L28-S31 PolarHBondContact O-N 3.06Å; L28-I32 HydrophobicContact CD1-CD1 3.77Å; L28-I32 HydrophobicContact CD1-CG1 4.16Å; L28-I32 HydrophobicContact CD2-CD1 4.38Å; L28-I32 HydrophobicContact CG-CD1 3.7Å; L28-I32 HydrophobicContact CG-CG1 4.37Å; L28-I32 WeakPolarHBondContact O-CB 3.37Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.28Å; L28-I32 PolarHBondContact O-N 2.92Å |
| 29 | S | 89.9 | Confident | 89 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -47.2 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 112 | V25 H26 L33 | V25-S29 VanDerWaalsContact O-CB 3.26Å; V25-S29 WeakPolarHBondContact O-CB 3.38Å; V25-S29 PolarHBondContact O-N 3.46Å; V25-S29 PolarHBondContact O-OG 2.93Å; H26-S29 WeakPolarHBondContact CA-OG 3.44Å; H26-S29 PolarHBondContact O-OG 3.06Å; H26-S29 VanDerWaalsContact O-OG 3.13Å; S29-L33 WeakPolarHBondContact O-CB 3.44Å; S29-L33 VanDerWaalsContact O-CG 3.26Å; S29-L33 WeakPolarHBondContact O-CG 3.44Å; S29-L33 PolarHBondContact O-N 3.28Å; S29-L33 VanDerWaalsContact O-N 3.07Å |
| 30 | S | 92.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -43.4 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | H26 L28 L33 C34 S103 V106 | H26-S30 WeakPolarHBondContact O-CB 3.31Å; H26-S30 PolarHBondContact O-N 2.98Å; H26-S30 VanDerWaalsContact O-N 3.12Å; H26-S30 PolarHBondContact O-OG 3.42Å; L28-S30 PolarHBondContact O-N 3.34Å; S30-L33 PolarHBondContact O-N 2.8Å; S30-C34 VanDerWaalsContact O-CB 3.24Å; S30-C34 WeakPolarHBondContact O-CB 3.45Å; S30-C34 PolarHBondContact O-N 3.29Å; S30-S103 WeakPolarHBondContact OG-CA 3.43Å; S30-S103 WeakPolarHBondContact OG-CB 3.12Å; S30-S103 PolarHBondContact OG-OG 2.97Å; S30-V106 WeakPolarHBondContact O-CG1 3.39Å |
| 31 | S | 92.2 | Very high | 89.7 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 21% | 0.21 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 179.8 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | T27 L28 C34 I35 Y102 | T27-S31 WeakPolarHBondContact O-CB 3.02Å; T27-S31 PolarHBondContact O-N 3.41Å; T27-S31 PolarHBondContact O-OG 2.97Å; L28-S31 PolarHBondContact O-N 3.06Å; S31-C34 PolarHBondContact O-N 3.27Å; S31-I35 WeakPolarHBondContact O-CB 3.46Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.38Å; S31-I35 PolarHBondContact O-N 2.93Å; S31-Y102 PolarHBondContact OG-OH 2.91Å |
| 32 | I | 90.8 | Very high | 90 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 179.2 | -66.3 | 173.1 | 0 | 0 | 0 | 110.2 | L28 C34 L36 L144 | L28-I32 HydrophobicContact CD1-CD1 3.77Å; L28-I32 HydrophobicContact CD1-CG1 4.16Å; L28-I32 HydrophobicContact CD2-CD1 4.38Å; L28-I32 HydrophobicContact CG-CD1 3.7Å; L28-I32 HydrophobicContact CG-CG1 4.37Å; L28-I32 WeakPolarHBondContact O-CB 3.37Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.28Å; L28-I32 PolarHBondContact O-N 2.92Å; I32-C34 VanDerWaalsContact C-N 3.34Å; I32-C34 PolarHBondContact O-N 3.26Å; I32-L36 HydrophobicContact CG2-CD1 3.69Å; I32-L36 HydrophobicContact CG2-CG 4.44Å; I32-L36 WeakPolarHBondContact O-CB 3.47Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 2.8Å; I32-L36 VanDerWaalsContact O-N 3.09Å; I32-L144 HydrophobicContact CG2-CD1 4.42Å; I32-L144 HydrophobicContact CG2-CD2 3.33Å; I32-L144 HydrophobicContact CG2-CG 4.25Å |
| 33 | L | 91.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 179.2 | -69 | 172.4 | 0 | 0 | 0 | 111.8 | S29 S30 F37 M107 F141 L144 S145 L148 | S29-L33 WeakPolarHBondContact O-CB 3.44Å; S29-L33 VanDerWaalsContact O-CG 3.26Å; S29-L33 WeakPolarHBondContact O-CG 3.44Å; S29-L33 PolarHBondContact O-N 3.28Å; S29-L33 VanDerWaalsContact O-N 3.07Å; S30-L33 PolarHBondContact O-N 2.8Å; L33-F37 WeakPolarHBondContact O-CB 3.37Å; L33-F37 PolarHBondContact O-N 2.77Å; L33-M107 HydrophobicContact CD1-SD 4.49Å; L33-F141 HydrophobicContact CB-CE2 4.43Å; L33-F141 HydrophobicContact CD2-CD2 3.82Å; L33-F141 HydrophobicContact CD2-CE2 3.73Å; L33-F141 HydrophobicContact CG-CE2 4.47Å; L33-L144 HydrophobicContact CD2-CB 4.26Å; L33-L144 HydrophobicContact CD2-CD2 3.94Å; L33-L144 HydrophobicContact CD2-CG 4.19Å; L33-S145 WeakPolarHBondContact CD2-OG 3.2Å; L33-L148 HydrophobicContact CD1-CD1 4.1Å; L33-L148 HydrophobicContact CD2-CD1 4.09Å; L33-L148 HydrophobicContact CG-CD1 3.82Å |
| 34 | C | 92.2 | Very high | 90.2 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -52.9 | 178.6 | -168.7 | 0 | 0 | 0 | 0 | 112 | S30 S31 I32 L36 F37 L38 V106 | S30-C34 VanDerWaalsContact O-CB 3.24Å; S30-C34 WeakPolarHBondContact O-CB 3.45Å; S30-C34 PolarHBondContact O-N 3.29Å; S31-C34 PolarHBondContact O-N 3.27Å; I32-C34 VanDerWaalsContact C-N 3.34Å; I32-C34 PolarHBondContact O-N 3.26Å; C34-L36 PolarHBondContact O-N 3.33Å; C34-F37 PolarHBondContact O-N 3.15Å; C34-L38 WeakPolarHBondContact O-CB 3.38Å; C34-L38 PolarHBondContact O-N 2.82Å; C34-V106 HydrophobicContact CB-CG1 3.8Å; C34-V106 HydrophobicContact CB-CG2 4.36Å |
| 35 | I | 89.2 | Confident | 90.1 | Very high | 129 Ų | 129 | 41.7 Ų | 41.7 | 66% | 0.662 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.6 | -46 | -175 | -68.4 | 167.1 | 0 | 0 | 0 | 111 | S31 F37 | S31-I35 WeakPolarHBondContact O-CB 3.46Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.38Å; S31-I35 PolarHBondContact O-N 2.93Å; I35-F37 VanDerWaalsContact C-N 3.35Å; I35-F37 PolarHBondContact O-N 2.99Å |
| 36 | L | 86.9 | Confident | 90.2 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 52% | 0.518 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -76 | -23 | -175.5 | -66.6 | 178.6 | 0 | 0 | 0 | 113.1 | I32 C34 P40 L137 L144 | I32-L36 HydrophobicContact CG2-CD1 3.69Å; I32-L36 HydrophobicContact CG2-CG 4.44Å; I32-L36 WeakPolarHBondContact O-CB 3.47Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 2.8Å; I32-L36 VanDerWaalsContact O-N 3.09Å; C34-L36 PolarHBondContact O-N 3.33Å; L36-P40 WeakPolarHBondContact O-CG 3.39Å; L36-L137 WeakPolarHBondContact O-CD1 3.42Å; L36-L144 HydrophobicContact CD1-CD2 3.9Å |
| 37 | F | 91.5 | Very high | 90 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -110.3 | -35.7 | -171 | -163.3 | -109 | 0 | 0 | 0 | 115 | L33 C34 I35 G41 V110 L113 I117 L137 L138 F141 | L33-F37 WeakPolarHBondContact O-CB 3.37Å; L33-F37 PolarHBondContact O-N 2.77Å; C34-F37 PolarHBondContact O-N 3.15Å; I35-F37 VanDerWaalsContact C-N 3.35Å; I35-F37 PolarHBondContact O-N 2.99Å; F37-G41 WeakPolarHBondContact O-CA 3.47Å; F37-G41 PolarHBondContact O-N 2.78Å; F37-V110 HydrophobicContact CB-CG1 4.18Å; F37-V110 HydrophobicContact CD1-CG1 3.62Å; F37-V110 HydrophobicContact CE1-CG1 4.37Å; F37-V110 HydrophobicContact CG-CG1 4.19Å; F37-L113 HydrophobicContact CD1-CD2 4.05Å; F37-L113 HydrophobicContact CD1-CG 4.44Å; F37-L113 HydrophobicContact CE1-CB 4.24Å; F37-L113 HydrophobicContact CE1-CD2 4.08Å; F37-L113 HydrophobicContact CE1-CG 3.98Å; F37-I117 HydrophobicContact CE1-CD1 3.85Å; F37-I117 HydrophobicContact CE2-CD1 4.23Å; F37-I117 HydrophobicContact CZ-CD1 3.48Å; F37-I117 VanDerWaalsContact CZ-CD1 3.48Å; F37-L137 HydrophobicContact CD2-CD1 4.41Å; F37-L137 HydrophobicContact CD2-CD2 4.19Å; F37-L137 HydrophobicContact CD2-CG 3.93Å; F37-L137 HydrophobicContact CE2-CD2 4.19Å; F37-L137 HydrophobicContact CE2-CG 4.04Å; F37-L138 HydrophobicContact CE2-CD1 4.05Å; F37-L138 HydrophobicContact CZ-CD1 3.77Å; F37-F141 HydrophobicContact CB-CD2 4.11Å; F37-F141 HydrophobicContact CD1-CD2 4.2Å; F37-F141 HydrophobicContact CD1-CG 4.42Å; F37-F141 HydrophobicContact CD2-CB 3.45Å; F37-F141 VanDerWaalsContact CD2-CB 3.45Å; F37-F141 AromaticContact CD2-CD2 3.92Å; F37-F141 HydrophobicContact CD2-CD2 3.92Å; F37-F141 AromaticContact CD2-CG 3.71Å; F37-F141 HydrophobicContact CD2-CG 3.71Å; F37-F141 HydrophobicContact CE1-CG 4.43Å; F37-F141 HydrophobicContact CE2-CB 3.5Å; F37-F141 VanDerWaalsContact CE2-CB 3.5Å; F37-F141 HydrophobicContact CE2-CD1 4.22Å; F37-F141 HydrophobicContact CE2-CD2 4.36Å; F37-F141 AromaticContact CE2-CG 3.75Å; F37-F141 HydrophobicContact CE2-CG 3.75Å; F37-F141 HydrophobicContact CG-CB 4.22Å; F37-F141 AromaticContact CG-CD2 3.8Å; F37-F141 HydrophobicContact CG-CD2 3.8Å; F37-F141 HydrophobicContact CG-CG 4.04Å; F37-F141 HydrophobicContact CZ-CB 4.3Å; F37-F141 HydrophobicContact CZ-CD1 4.19Å; F37-F141 HydrophobicContact CZ-CG 4.1Å |
| 38 | L | 89.8 | Confident | 89.8 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -56.1 | -167.8 | -168.1 | 152.6 | 0 | 0 | 0 | 112.2 | C34 L42 I109 | C34-L38 WeakPolarHBondContact O-CB 3.38Å; C34-L38 PolarHBondContact O-N 2.82Å; L38-L42 HydrophobicContact CD2-CD1 4.09Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.06Å; L38-I109 HydrophobicContact CD1-CG2 3.81Å |
| 39 | V | 89.3 | Confident | 89.6 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 65% | 0.648 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -70.2 | -49.9 | -179.5 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | G41 L42 A43 | V39-G41 VanDerWaalsContact C-N 3.27Å; V39-G41 PolarHBondContact O-N 3.21Å; V39-L42 PolarHBondContact O-N 2.86Å; V39-A43 PolarHBondContact O-N 3.34Å; V39-A43 VanDerWaalsContact O-N 3.08Å |
| 40 | P | 90 | Very high | 89.4 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -31.8 | 178.8 | -23.7 | 37.8 | 0 | 0 | 0 | 112.8 | L36 A43 Q44 L137 | L36-P40 WeakPolarHBondContact O-CG 3.39Å; P40-A43 PolarHBondContact O-N 3.33Å; P40-Q44 WeakPolarHBondContact O-CB 3.33Å; P40-Q44 PolarHBondContact O-N 2.93Å; P40-L137 VanDerWaalsContact C-CD2 3.42Å; P40-L137 HydrophobicContact CB-CD1 3.71Å; P40-L137 HydrophobicContact CB-CD2 3.82Å; P40-L137 HydrophobicContact CB-CG 4.43Å; P40-L137 HydrophobicContact CG-CD1 4.46Å |
| 41 | G | 89.5 | Confident | 89 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F37 V39 Q44 V45 L137 | F37-G41 WeakPolarHBondContact O-CA 3.47Å; F37-G41 PolarHBondContact O-N 2.78Å; V39-G41 VanDerWaalsContact C-N 3.27Å; V39-G41 PolarHBondContact O-N 3.21Å; G41-Q44 WeakPolarHBondContact O-CB 3.44Å; G41-Q44 PolarHBondContact O-N 2.95Å; G41-V45 WeakPolarHBondContact O-CG2 2.96Å; G41-V45 PolarHBondContact O-N 2.79Å; G41-L137 VanDerWaalsContact CA-CD2 3.4Å; G41-L137 VanDerWaalsContact N-CD2 3.32Å |
| 42 | L | 91.1 | Very high | 88.5 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 173.5 | -70.1 | 172.3 | 0 | 0 | 0 | 111.9 | L38 V39 Q44 V45 Y46 L113 | L38-L42 HydrophobicContact CD2-CD1 4.09Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.06Å; V39-L42 PolarHBondContact O-N 2.86Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 3.33Å; L42-V45 PolarHBondContact O-N 2.98Å; L42-Y46 PolarHBondContact O-N 3.48Å; L42-L113 HydrophobicContact CD2-CD1 3.87Å; L42-L113 HydrophobicContact CG-CD1 4.47Å; L42-L113 HydrophobicContact CG-CD2 4.47Å |
| 43 | A | 89.6 | Confident | 87.8 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | V39 P40 Y46 I47 | V39-A43 PolarHBondContact O-N 3.34Å; V39-A43 VanDerWaalsContact O-N 3.08Å; P40-A43 PolarHBondContact O-N 3.33Å; A43-Y46 WeakPolarHBondContact O-CB 3.31Å; A43-Y46 PolarHBondContact O-N 3.14Å; A43-I47 VanDerWaalsContact O-CG1 3.31Å; A43-I47 WeakPolarHBondContact O-CG1 3.1Å; A43-I47 PolarHBondContact O-N 2.9Å |
| 44 | Q | 88.5 | Confident | 87.3 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -48 | 175.8 | -175.2 | 178.4 | -38.6 | 0 | 0 | 111.4 | P40 G41 L42 Y46 I47 Y48 E121 L137 | P40-Q44 WeakPolarHBondContact O-CB 3.33Å; P40-Q44 PolarHBondContact O-N 2.93Å; G41-Q44 WeakPolarHBondContact O-CB 3.44Å; G41-Q44 PolarHBondContact O-N 2.95Å; L42-Q44 VanDerWaalsContact C-N 3.32Å; L42-Q44 PolarHBondContact O-N 3.33Å; Q44-Y46 VanDerWaalsContact C-N 3.28Å; Q44-Y46 PolarHBondContact O-N 3.43Å; Q44-I47 PolarHBondContact O-N 3.25Å; Q44-Y48 HydrophobicContact CG-CD2 3.76Å; Q44-Y48 HydrophobicContact CG-CE2 3.74Å; Q44-Y48 WeakPolarHBondContact O-CD2 3.47Å; Q44-Y48 PolarHBondContact O-N 2.9Å; Q44-E121 PolarHBondContact NE2-OE1 3.11Å; Q44-L137 HydrophobicContact CB-CD2 4.42Å |
| 45 | V | 88.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.9 | -44.9 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | G41 L42 Y48 R49 F116 I117 T120 | G41-V45 WeakPolarHBondContact O-CG2 2.96Å; G41-V45 PolarHBondContact O-N 2.79Å; L42-V45 PolarHBondContact O-N 2.98Å; V45-Y48 PolarHBondContact O-N 3.02Å; V45-R49 PolarHBondContact O-N 3.08Å; V45-F116 HydrophobicContact CG1-CE1 3.85Å; V45-F116 HydrophobicContact CG2-CD1 4.12Å; V45-F116 HydrophobicContact CG2-CE1 4.27Å; V45-I117 HydrophobicContact CG2-CB 4.5Å; V45-I117 HydrophobicContact CG2-CD1 4.44Å; V45-I117 HydrophobicContact CG2-CG1 3.47Å; V45-I117 VanDerWaalsContact CG2-CG1 3.47Å; V45-T120 HydrophobicContact CG1-CG2 4.46Å |
| 46 | Y | 89.5 | Confident | 85.7 | Confident | 142 Ų | 142 | 69.3 Ų | 69.3 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.9 | -45.2 | 179 | 178.1 | -96.8 | 0 | 0 | 0 | 111.7 | L42 A43 Q44 R49 K50 | L42-Y46 PolarHBondContact O-N 3.48Å; A43-Y46 WeakPolarHBondContact O-CB 3.31Å; A43-Y46 PolarHBondContact O-N 3.14Å; Q44-Y46 VanDerWaalsContact C-N 3.28Å; Q44-Y46 PolarHBondContact O-N 3.43Å; Y46-R49 PolarHBondContact O-N 2.73Å; Y46-K50 HydrophobicContact CE1-CD 3.77Å; Y46-K50 VanDerWaalsContact O-CB 3.29Å; Y46-K50 WeakPolarHBondContact O-CB 3.36Å; Y46-K50 PolarHBondContact O-N 2.76Å; Y46-K50 WeakPolarHBondContact OH-CD 3.17Å; Y46-K50 PolarHBondContact OH-NZ 2.83Å |
| 47 | I | 86.6 | Confident | 85 | Confident | 79 Ų | 79 | 70.8 Ų | 70.8 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 178.4 | -68.6 | 165 | 0 | 0 | 0 | 111.1 | A43 Q44 R49 K50 H51 L126 | A43-I47 VanDerWaalsContact O-CG1 3.31Å; A43-I47 WeakPolarHBondContact O-CG1 3.1Å; A43-I47 PolarHBondContact O-N 2.9Å; Q44-I47 PolarHBondContact O-N 3.25Å; I47-R49 PolarHBondContact O-N 3.2Å; I47-K50 PolarHBondContact O-N 2.72Å; I47-H51 PolarHBondContact O-N 3.48Å; I47-L126 HydrophobicContact CG2-CD1 4.24Å; I47-L126 HydrophobicContact CG2-CD2 4.3Å |
| 48 | Y | 86.5 | Confident | 83.8 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 8% | 0.078 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 179.4 | -89.7 | -92.7 | 0 | 0 | 0 | 112.5 | Q44 V45 G52 E121 L126 | Q44-Y48 HydrophobicContact CG-CD2 3.76Å; Q44-Y48 HydrophobicContact CG-CE2 3.74Å; Q44-Y48 WeakPolarHBondContact O-CD2 3.47Å; Q44-Y48 PolarHBondContact O-N 2.9Å; V45-Y48 PolarHBondContact O-N 3.02Å; Y48-G52 WeakPolarHBondContact O-CA 3.21Å; Y48-G52 PolarHBondContact O-N 3.01Å; Y48-E121 HydrophobicContact CE1-CG 4.18Å; Y48-E121 HydrophobicContact CE2-CG 4.28Å; Y48-L126 HydrophobicContact CD1-CD1 4.1Å; Y48-L126 HydrophobicContact CD1-CG 3.99Å; Y48-L126 HydrophobicContact CD2-CD1 3.95Å; Y48-L126 HydrophobicContact CE1-CD1 3.81Å; Y48-L126 HydrophobicContact CE1-CG 3.9Å; Y48-L126 HydrophobicContact CE2-CD1 3.65Å; Y48-L126 HydrophobicContact CG-CD1 4.17Å; Y48-L126 HydrophobicContact CG-CG 4.38Å |
| 49 | R | 85.8 | Confident | 82.7 | Confident | 143 Ų | 143 | 75.5 Ų | 75.5 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.1 | -31.2 | 177.3 | -75.6 | -172.9 | 173.4 | -162 | -3.5 | 113.2 | V45 Y46 I47 | V45-R49 PolarHBondContact O-N 3.08Å; Y46-R49 PolarHBondContact O-N 2.73Å; I47-R49 PolarHBondContact O-N 3.2Å |
| 50 | K | 86.6 | Confident | 81.6 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -85.9 | -40.2 | -177.4 | -174.5 | 172.3 | -178.4 | 179.7 | 0 | 113.4 | Y46 I47 | Y46-K50 HydrophobicContact CE1-CD 3.77Å; Y46-K50 VanDerWaalsContact O-CB 3.29Å; Y46-K50 WeakPolarHBondContact O-CB 3.36Å; Y46-K50 PolarHBondContact O-N 2.76Å; Y46-K50 WeakPolarHBondContact OH-CD 3.17Å; Y46-K50 PolarHBondContact OH-NZ 2.83Å; I47-K50 PolarHBondContact O-N 2.72Å |
| 51 | H | 84.1 | Confident | 80.4 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -113.8 | -7.4 | -173.7 | -56.9 | 90.8 | 0 | 0 | 0 | 113.5 | I47 L126 | I47-H51 PolarHBondContact O-N 3.48Å; H51-L126 HydrophobicContact CB-CD2 3.81Å |
| 52 | G | 80.3 | Confident | 79.3 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 13% | 0.134 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 141.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y48 V125 | Y48-G52 WeakPolarHBondContact O-CA 3.21Å; Y48-G52 PolarHBondContact O-N 3.01Å; G52-V125 CarbonylContact C-O 3.5Å; G52-V125 VanDerWaalsContact CA-O 3.28Å; G52-V125 WeakPolarHBondContact CA-O 3.36Å |
| 53 | Q | 77.3 | Confident | 78.5 | Confident | 96 Ų | 96 | 81.5 Ų | 81.5 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 137.8 | 169.5 | -70.9 | -170.3 | -16 | 0 | 0 | 110.7 | Y124 V125 | Q53-Y124 CarbonylContact O-C 3.52Å; Q53-Y124 VanDerWaalsContact O-CA 3.3Å; Q53-Y124 WeakPolarHBondContact O-CA 3.27Å; Q53-V125 PolarHBondContact N-O 3.17Å; Q53-V125 PolarHBondContact O-N 3.29Å |
| 54 | P | 79.8 | Confident | 78.2 | Confident | 98 Ų | 98 | 87.9 Ų | 87.9 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 136.3 | 175.4 | 29.1 | -33.8 | 0 | 0 | 0 | 110.8 | Y124 | P54-Y124 HydrophobicContact CB-CD1 4.46Å; P54-Y124 HydrophobicContact CB-CE1 4.32Å |
| 55 | I | 75 | Confident | 78 | Confident | 29 Ų | 29 | 91 Ų | 91 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 131.1 | 178 | -56.6 | 162.1 | 0 | 0 | 0 | 109.5 | L59 C122 S123 V125 P198 | I55-L59 HydrophobicContact CG2-CB 3.58Å; I55-C122 WeakPolarHBondContact CD1-O 3.35Å; I55-S123 PolarHBondContact N-O 3.14Å; I55-V125 HydrophobicContact CD1-CG2 3.7Å; I55-V125 HydrophobicContact CG1-CG2 3.53Å; I55-P198 HydrophobicContact CD1-CG 4.27Å; I55-P198 HydrophobicContact CG2-CG 4.38Å |
| 56 | N | 74.2 | Confident | 77.8 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 146 | 173.1 | -80.5 | -19.8 | 0 | 0 | 0 | 112.5 | S58 L59 R60 | N56-S58 PolarHBondContact O-N 3.32Å; N56-L59 PolarHBondContact O-N 2.97Å; N56-R60 PolarHBondContact O-N 2.96Å |
| 57 | N | 70.6 | Confident | 77.8 | Confident | 131 Ų | 131 | 90.1 Ų | 90.1 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.6 | -178.6 | -82.3 | -21.2 | 0 | 0 | 0 | 114.2 | ||
| 58 | S | 67.6 | Low | 77.9 | Confident | 107 Ų | 107 | 89.3 Ų | 89.3 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -35.1 | 176.3 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | N56 | N56-S58 PolarHBondContact O-N 3.32Š|
| 59 | L | 66 | Low | 78.1 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -20.4 | -179.4 | -74.9 | 159.7 | 0 | 0 | 0 | 111.7 | I55 N56 S61 P198 A202 F206 | I55-L59 HydrophobicContact CG2-CB 3.58Å; N56-L59 PolarHBondContact O-N 2.97Å; L59-S61 PolarHBondContact O-N 2.95Å; L59-P198 WeakPolarHBondContact O-CB 3.37Å; L59-P198 WeakPolarHBondContact O-CG 3.47Å; L59-A202 HydrophobicContact CD2-CB 3.88Å; L59-F206 HydrophobicContact CD1-CD2 4.15Å; L59-F206 HydrophobicContact CD1-CG 4.32Å |
| 60 | R | 66.1 | Low | 78.4 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -63.3 | 121.9 | -175.2 | -169.6 | 173.5 | 179.1 | -174.8 | -1.3 | 111.9 | N56 R62 | N56-R60 PolarHBondContact O-N 2.96Å; R60-R62 PolarHBondContact O-N 3.27Å |
| 61 | S | 65.9 | Low | 78.7 | Confident | 34 Ų | 34 | 81.8 Ų | 81.8 | 24% | 0.238 | 41% | 0.408 | C | S | . | . | trans | -64.5 | 118.9 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | L59 S63 P195 G196 | L59-S61 PolarHBondContact O-N 2.95Å; S61-S63 VanDerWaalsContact C-N 3.26Å; S61-S63 PolarHBondContact O-N 2.86Å; S61-P195 PolarHBondContact OG-O 2.89Å; S61-G196 WeakPolarHBondContact CB-O 3.3Å | ||
| 62 | R | 65 | Low | 79.1 | Confident | 223 Ų | 223 | 77.4 Ų | 77.4 | 84% | 0.842 | 39% | 0.389 | S | S | * | . | trans | -91.4 | 40.5 | 173.2 | -67.5 | -171.7 | 179 | -167.8 | 0.1 | 112.2 | R60 K64 | R60-R62 PolarHBondContact O-N 3.27Å; R62-K64 PolarHBondContact O-N 2.84Å | ||
| 63 | S | 75.1 | Confident | 79.7 | Confident | 24 Ų | 24 | 76.8 Ų | 76.8 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | trans | -67.2 | 129 | -178.6 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | S61 F65 L66 H67 P195 | S61-S63 VanDerWaalsContact C-N 3.26Å; S61-S63 PolarHBondContact O-N 2.86Å; S63-F65 PolarHBondContact O-N 2.86Å; S63-F65 PolarHBondContact OG-N 2.92Å; S63-L66 PolarHBondContact O-N 2.79Å; S63-H67 PolarHBondContact O-ND1 2.98Å; S63-P195 VanDerWaalsContact CB-O 3.26Å; S63-P195 WeakPolarHBondContact CB-O 3.45Å | ||
| 64 | K | 82.3 | Confident | 80.5 | Confident | 181 Ų | 181 | 75.9 Ų | 75.9 | 79% | 0.787 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.6 | -31.8 | 170.5 | -65.9 | -176.4 | 179.8 | -178.5 | 0 | 111.4 | R62 L66 H67 L68 | R62-K64 PolarHBondContact O-N 2.84Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-L66 PolarHBondContact O-N 2.85Å; K64-H67 PolarHBondContact O-N 3.03Å; K64-L68 PolarHBondContact O-N 3.14Å |
| 65 | F | 84.3 | Confident | 81.2 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 39% | 0.386 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.6 | -26.9 | -179.9 | -64.6 | -80.6 | 0 | 0 | 0 | 113.4 | S63 L68 H69 L190 W193 P195 | S63-F65 PolarHBondContact O-N 2.86Å; S63-F65 PolarHBondContact OG-N 2.92Å; F65-L68 HydrophobicContact CD1-CD2 4.42Å; F65-L68 PolarHBondContact O-N 3.05Å; F65-H69 VanDerWaalsContact O-CB 3.31Å; F65-H69 WeakPolarHBondContact O-CB 3.33Å; F65-H69 PolarHBondContact O-N 2.82Å; F65-L190 HydrophobicContact CB-CD2 4.2Å; F65-L190 HydrophobicContact CD1-CD2 4.09Å; F65-W193 HydrophobicContact CB-CZ3 3.75Å; F65-W193 AromaticContact CD1-CZ3 3.92Å; F65-W193 HydrophobicContact CD1-CZ3 3.92Å; F65-W193 AromaticContact CD2-CH2 3.63Å; F65-W193 HydrophobicContact CD2-CH2 3.63Å; F65-W193 AromaticContact CD2-CZ3 3.54Å; F65-W193 HydrophobicContact CD2-CZ3 3.54Å; F65-W193 HydrophobicContact CE1-CZ3 4.36Å; F65-W193 AromaticContact CE2-CH2 3.77Å; F65-W193 HydrophobicContact CE2-CH2 3.77Å; F65-W193 HydrophobicContact CE2-CZ3 4.03Å; F65-W193 HydrophobicContact CG-CH2 4.07Å; F65-W193 AromaticContact CG-CZ3 3.48Å; F65-W193 HydrophobicContact CG-CZ3 3.48Å; F65-W193 VanDerWaalsContact CG-CZ3 3.48Å; F65-W193 HydrophobicContact CZ-CH2 4.31Å; F65-W193 HydrophobicContact CZ-CZ3 4.41Å; F65-P195 HydrophobicContact CB-CB 3.85Å; F65-P195 HydrophobicContact CB-CG 3.71Å |
| 66 | L | 86.1 | Confident | 82.1 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 171.3 | 176.6 | 63.9 | 0 | 0 | 0 | 110.8 | S63 K64 H69 I70 L118 C122 | S63-L66 PolarHBondContact O-N 2.79Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-L66 PolarHBondContact O-N 2.85Å; L66-H69 WeakPolarHBondContact O-CB 3.39Å; L66-H69 PolarHBondContact O-N 2.74Å; L66-I70 HydrophobicContact CD1-CD1 4.28Å; L66-I70 HydrophobicContact CG-CD1 4.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.33Å; L66-I70 PolarHBondContact O-N 3.15Å; L66-I70 VanDerWaalsContact O-N 3.08Å; L66-L118 HydrophobicContact CD1-CD1 4.16Å; L66-L118 HydrophobicContact CD1-CD2 4.06Å; L66-L118 HydrophobicContact CD1-CG 4.03Å; L66-C122 HydrophobicContact CD2-CB 4.28Å |
| 67 | H | 87.6 | Confident | 83 | Confident | 127 Ų | 127 | 68.4 Ų | 68.4 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 177.3 | -68 | 81.2 | 0 | 0 | 0 | 111.1 | S63 K64 H69 I70 L71 | S63-H67 PolarHBondContact O-ND1 2.98Å; K64-H67 PolarHBondContact O-N 3.03Å; H67-H69 VanDerWaalsContact C-N 3.33Å; H67-H69 PolarHBondContact O-N 2.81Å; H67-I70 PolarHBondContact O-N 3.38Å; H67-L71 WeakPolarHBondContact O-CB 3.47Å; H67-L71 PolarHBondContact O-N 2.91Å |
| 68 | L | 89.9 | Confident | 84.1 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 174.4 | -175.2 | 60.4 | 0 | 0 | 0 | 112.1 | K64 F65 L71 L72 F186 | K64-L68 PolarHBondContact O-N 3.14Å; F65-L68 HydrophobicContact CD1-CD2 4.42Å; F65-L68 PolarHBondContact O-N 3.05Å; L68-L71 PolarHBondContact O-N 3.37Å; L68-L72 HydrophobicContact CD1-CD1 4.24Å; L68-L72 HydrophobicContact CD1-CG 4.28Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 WeakPolarHBondContact O-CG 3.36Å; L68-L72 PolarHBondContact O-N 2.92Å; L68-F186 HydrophobicContact CD2-CE1 3.66Å; L68-F186 HydrophobicContact CD2-CZ 4.26Å; L68-F186 HydrophobicContact CG-CE1 4.3Å |
| 69 | H | 90.7 | Very high | 85.2 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 178.2 | -167.7 | -160.8 | 0 | 0 | 0 | 112.2 | F65 L66 H67 S73 L118 W142 V187 L190 | F65-H69 VanDerWaalsContact O-CB 3.31Å; F65-H69 WeakPolarHBondContact O-CB 3.33Å; F65-H69 PolarHBondContact O-N 2.82Å; L66-H69 WeakPolarHBondContact O-CB 3.39Å; L66-H69 PolarHBondContact O-N 2.74Å; H67-H69 VanDerWaalsContact C-N 3.33Å; H67-H69 PolarHBondContact O-N 2.81Å; H69-S73 WeakPolarHBondContact O-CB 3.29Å; H69-S73 PolarHBondContact O-N 3.42Å; H69-S73 PolarHBondContact O-OG 3.42Å; H69-L118 HydrophobicContact CB-CD2 4.32Å; H69-L118 WeakPolarHBondContact ND1-CD2 3.47Å; H69-W142 AromaticContact CE1-CE2 3.8Å; H69-W142 AromaticContact CE1-CH2 3.52Å; H69-W142 AromaticContact CE1-CZ2 3.27Å; H69-W142 WeakPolarHBondContact CE1-CZ2 3.35Å; H69-W142 AromaticContact NE2-CE2 3.94Å; H69-W142 AromaticContact NE2-CZ2 3.85Å; H69-V187 WeakPolarHBondContact NE2-CG1 3.45Å; H69-V187 PolarHBondContact NE2-O 3.08Å; H69-V187 VanDerWaalsContact NE2-O 3.08Å; H69-L190 HydrophobicContact CB-CB 4.33Å; H69-L190 HydrophobicContact CB-CD1 3.83Å |
| 70 | I | 91.4 | Very high | 86.4 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.9 | -68.6 | 169 | 0 | 0 | 0 | 110.3 | L66 H67 S73 L74 A115 L118 | L66-I70 HydrophobicContact CD1-CD1 4.28Å; L66-I70 HydrophobicContact CG-CD1 4.24Å; L66-I70 WeakPolarHBondContact O-CG1 3.33Å; L66-I70 PolarHBondContact O-N 3.15Å; L66-I70 VanDerWaalsContact O-N 3.08Å; H67-I70 PolarHBondContact O-N 3.38Å; I70-S73 PolarHBondContact O-N 2.71Å; I70-L74 HydrophobicContact CG2-CD1 4.22Å; I70-L74 WeakPolarHBondContact O-CG 3.07Å; I70-L74 PolarHBondContact O-N 2.67Å; I70-L74 VanDerWaalsContact O-N 3.09Å; I70-A115 HydrophobicContact CG2-CB 4.38Å; I70-L118 HydrophobicContact CG1-CD2 3.86Å |
| 71 | L | 93.4 | Very high | 87.7 | Confident | 96 Ų | 96 | 59.5 Ų | 59.5 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 179.6 | -177.2 | 68.8 | 0 | 0 | 0 | 111.6 | H67 L68 S73 L74 I75 | H67-L71 WeakPolarHBondContact O-CB 3.47Å; H67-L71 PolarHBondContact O-N 2.91Å; L68-L71 PolarHBondContact O-N 3.37Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.07Å; L71-L74 PolarHBondContact O-N 2.97Å; L71-L74 VanDerWaalsContact O-N 3.14Å; L71-I75 HydrophobicContact CD1-CD1 4.26Å; L71-I75 HydrophobicContact CD2-CD1 4.45Å; L71-I75 HydrophobicContact CG-CD1 3.87Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 3.31Å |
| 72 | L | 92.9 | Very high | 88.8 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.6 | -73.8 | 169.5 | 0 | 0 | 0 | 111.9 | L68 L74 I75 I76 C183 F186 V187 | L68-L72 HydrophobicContact CD1-CD1 4.24Å; L68-L72 HydrophobicContact CD1-CG 4.28Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 WeakPolarHBondContact O-CG 3.36Å; L68-L72 PolarHBondContact O-N 2.92Å; L72-L74 PolarHBondContact O-N 3.3Å; L72-I75 PolarHBondContact O-N 3.49Å; L72-I75 VanDerWaalsContact O-N 3.09Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.48Å; L72-C183 HydrophobicContact CD2-CB 4.4Å; L72-F186 HydrophobicContact CD1-CB 4.38Å; L72-F186 HydrophobicContact CD1-CD1 3.34Å; L72-F186 HydrophobicContact CD1-CE1 4Å; L72-F186 HydrophobicContact CD1-CG 4.24Å; L72-V187 HydrophobicContact CB-CG2 3.65Å |
| 73 | S | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -32.2 | 175.8 | -61 | 0 | 0 | 0 | 0 | 112.4 | H69 I70 L71 P77 | H69-S73 WeakPolarHBondContact O-CB 3.29Å; H69-S73 PolarHBondContact O-N 3.42Å; H69-S73 PolarHBondContact O-OG 3.42Å; I70-S73 PolarHBondContact O-N 2.71Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.07Å; S73-P77 WeakPolarHBondContact O-CD 3.5Å |
| 74 | L | 93.7 | Very high | 90.5 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 40% | 0.403 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -81.6 | -25.4 | 176.3 | -66.7 | 174.4 | 0 | 0 | 0 | 113.5 | I70 L71 L72 F78 P112 A115 | I70-L74 HydrophobicContact CG2-CD1 4.22Å; I70-L74 WeakPolarHBondContact O-CG 3.07Å; I70-L74 PolarHBondContact O-N 2.67Å; I70-L74 VanDerWaalsContact O-N 3.09Å; L71-L74 PolarHBondContact O-N 2.97Å; L71-L74 VanDerWaalsContact O-N 3.14Å; L72-L74 PolarHBondContact O-N 3.3Å; L74-F78 VanDerWaalsContact O-CD2 3.29Å; L74-F78 WeakPolarHBondContact O-CD2 3.48Å; L74-P112 HydrophobicContact CD2-CB 4.12Å; L74-P112 HydrophobicContact CD2-CG 4.25Å; L74-A115 HydrophobicContact CD2-CB 4.35Å; L74-A115 HydrophobicContact CG-CB 4.5Å |
| 75 | I | 94.1 | Very high | 90.8 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -79.1 | -33 | 178.4 | -71.7 | 168.7 | 0 | 0 | 0 | 112 | L71 L72 F78 L79 | L71-I75 HydrophobicContact CD1-CD1 4.26Å; L71-I75 HydrophobicContact CD2-CD1 4.45Å; L71-I75 HydrophobicContact CG-CD1 3.87Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 3.31Å; L72-I75 PolarHBondContact O-N 3.49Å; L72-I75 VanDerWaalsContact O-N 3.09Å; I75-F78 WeakPolarHBondContact O-CA 3.47Å; I75-F78 WeakPolarHBondContact O-CB 3.35Å; I75-F78 PolarHBondContact O-N 3.39Å; I75-L79 HydrophobicContact CG2-CD1 3.98Å; I75-L79 HydrophobicContact CG2-CG 3.98Å; I75-L79 PolarHBondContact O-N 3.21Å; I75-L79 VanDerWaalsContact O-N 3.09Å |
| 76 | I | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54 | -44 | -175.1 | -75.1 | 163.1 | 0 | 0 | 0 | 114.1 | L72 F78 L79 S80 M107 W111 Y180 C183 V184 V187 | L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.29Å; L72-I76 PolarHBondContact O-N 3.48Å; I76-F78 VanDerWaalsContact C-N 3.27Å; I76-F78 PolarHBondContact O-N 3.05Å; I76-L79 PolarHBondContact O-N 3.47Å; I76-S80 PolarHBondContact O-N 3.11Å; I76-M107 HydrophobicContact CG2-CE 4.27Å; I76-W111 HydrophobicContact CB-CD2 4.2Å; I76-W111 HydrophobicContact CB-CE3 4.41Å; I76-W111 HydrophobicContact CD1-CD2 4.42Å; I76-W111 HydrophobicContact CD1-CE3 3.95Å; I76-W111 HydrophobicContact CD1-CH2 3.49Å; I76-W111 VanDerWaalsContact CD1-CH2 3.49Å; I76-W111 HydrophobicContact CD1-CZ2 4Å; I76-W111 HydrophobicContact CD1-CZ3 3.46Å; I76-W111 VanDerWaalsContact CD1-CZ3 3.46Å; I76-W111 HydrophobicContact CG2-CD2 3.89Å; I76-W111 VanDerWaalsContact CG2-CE2 3.5Å; I76-W111 HydrophobicContact CG2-CE3 4.48Å; I76-W111 HydrophobicContact CG2-CG 4.28Å; I76-W111 HydrophobicContact CG2-CH2 4.41Å; I76-W111 HydrophobicContact CG2-CZ2 3.8Å; I76-Y180 HydrophobicContact CG2-CD2 3.96Å; I76-Y180 HydrophobicContact CG2-CE2 3.53Å; I76-C183 HydrophobicContact CD1-CB 4.22Å; I76-C183 HydrophobicContact CG1-CB 3.84Å; I76-V184 HydrophobicContact CD1-CG2 3.92Å; I76-V184 HydrophobicContact CG1-CG2 4.32Å; I76-V184 HydrophobicContact CG2-CG2 4.14Å; I76-V187 HydrophobicContact CD1-CG2 3.77Å |
| 77 | P | 93.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -36.8 | 174.8 | -27.7 | 37.1 | 0 | 0 | 0 | 113.5 | S73 S80 L81 M107 F108 W111 | S73-P77 WeakPolarHBondContact O-CD 3.5Å; P77-S80 PolarHBondContact O-N 3.47Å; P77-L81 WeakPolarHBondContact O-CB 3.41Å; P77-L81 PolarHBondContact O-N 3.21Å; P77-M107 WeakPolarHBondContact CG-O 3.19Å; P77-F108 HydrophobicContact CB-CD1 4.09Å; P77-F108 HydrophobicContact CB-CD2 3.78Å; P77-F108 HydrophobicContact CB-CE1 4.09Å; P77-F108 HydrophobicContact CB-CE2 3.77Å; P77-F108 HydrophobicContact CB-CG 3.95Å; P77-F108 HydrophobicContact CB-CZ 3.93Å; P77-F108 WeakPolarHBondContact O-CE2 3.49Å; P77-W111 HydrophobicContact CG-CB 3.55Å; P77-W111 HydrophobicContact CG-CG 4.03Å |
| 78 | F | 93.5 | Very high | 90.8 | Very high | 121 Ų | 121 | 36.9 Ų | 36.9 | 53% | 0.531 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 176.5 | -66.8 | -84.3 | 0 | 0 | 0 | 111.9 | L74 I75 I76 S80 L81 S82 F108 | L74-F78 VanDerWaalsContact O-CD2 3.29Å; L74-F78 WeakPolarHBondContact O-CD2 3.48Å; I75-F78 WeakPolarHBondContact O-CA 3.47Å; I75-F78 WeakPolarHBondContact O-CB 3.35Å; I75-F78 PolarHBondContact O-N 3.39Å; I76-F78 VanDerWaalsContact C-N 3.27Å; I76-F78 PolarHBondContact O-N 3.05Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 2.86Å; F78-L81 PolarHBondContact O-N 3.07Å; F78-S82 WeakPolarHBondContact O-CB 3.34Å; F78-S82 PolarHBondContact O-N 2.81Å; F78-S82 PolarHBondContact O-OG 2.71Å; F78-S82 VanDerWaalsContact O-OG 3.11Å; F78-F108 HydrophobicContact CD1-CE1 4.32Å; F78-F108 AromaticContact CD1-CZ 3.96Å; F78-F108 HydrophobicContact CD1-CZ 3.96Å; F78-F108 HydrophobicContact CD2-CE1 4.48Å; F78-F108 AromaticContact CE1-CE1 3.95Å; F78-F108 HydrophobicContact CE1-CE1 3.95Å; F78-F108 HydrophobicContact CE1-CZ 4.01Å; F78-F108 HydrophobicContact CE2-CE1 4.12Å; F78-F108 HydrophobicContact CG-CZ 4.23Å; F78-F108 AromaticContact CZ-CE1 3.84Å; F78-F108 HydrophobicContact CZ-CE1 3.84Å; F78-F108 HydrophobicContact CZ-CZ 4.32Å |
| 79 | L | 92.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 173.9 | -70.2 | 173.8 | 0 | 0 | 0 | 111.7 | I75 I76 S82 Q83 L179 Y180 C183 | I75-L79 HydrophobicContact CG2-CD1 3.98Å; I75-L79 HydrophobicContact CG2-CG 3.98Å; I75-L79 PolarHBondContact O-N 3.21Å; I75-L79 VanDerWaalsContact O-N 3.09Å; I76-L79 PolarHBondContact O-N 3.47Å; L79-S82 PolarHBondContact O-N 3.32Å; L79-Q83 WeakPolarHBondContact O-CB 3.46Å; L79-Q83 PolarHBondContact O-N 2.95Å; L79-L179 HydrophobicContact CD1-CG 4.14Å; L79-L179 HydrophobicContact CD2-CD2 3.53Å; L79-L179 HydrophobicContact CD2-CG 3.95Å; L79-Y180 HydrophobicContact CB-CD2 4.49Å; L79-C183 HydrophobicContact CD1-CB 4.11Å |
| 80 | S | 90.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | I76 P77 F78 Q83 T84 | I76-S80 PolarHBondContact O-N 3.11Å; P77-S80 PolarHBondContact O-N 3.47Å; F78-S80 VanDerWaalsContact C-N 3.32Å; F78-S80 PolarHBondContact O-N 2.86Å; S80-Q83 PolarHBondContact O-N 3.04Å; S80-T84 WeakPolarHBondContact O-CB 3.48Å; S80-T84 PolarHBondContact O-N 3.15Å; S80-T84 PolarHBondContact O-OG1 3.46Å |
| 81 | L | 92.4 | Very high | 89.6 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.5 | -48.9 | 172.3 | 175.8 | 64.3 | 0 | 0 | 0 | 111.4 | P77 F78 Q83 T84 M85 I104 F108 | P77-L81 WeakPolarHBondContact O-CB 3.41Å; P77-L81 PolarHBondContact O-N 3.21Å; F78-L81 PolarHBondContact O-N 3.07Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.49Å; L81-T84 PolarHBondContact O-N 3.04Å; L81-M85 HydrophobicContact CD1-CE 4.05Å; L81-M85 HydrophobicContact CD1-CG 4.04Å; L81-M85 HydrophobicContact CG-CG 4.34Å; L81-M85 WeakPolarHBondContact O-CB 3.47Å; L81-M85 VanDerWaalsContact O-CG 3.24Å; L81-M85 WeakPolarHBondContact O-CG 3.37Å; L81-M85 PolarHBondContact O-N 3.08Å; L81-I104 HydrophobicContact CD1-CD1 3.67Å; L81-I104 HydrophobicContact CD1-CG1 4.26Å; L81-I104 HydrophobicContact CD1-CG2 4.05Å; L81-F108 HydrophobicContact CB-CE2 4.11Å; L81-F108 HydrophobicContact CD2-CE2 4.29Å; L81-F108 HydrophobicContact CD2-CZ 4.17Å |
| 82 | S | 90.3 | Very high | 88.7 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 177.9 | -65 | 0 | 0 | 0 | 0 | 111.8 | F78 L79 T84 M85 V86 | F78-S82 WeakPolarHBondContact O-CB 3.34Å; F78-S82 PolarHBondContact O-N 2.81Å; F78-S82 PolarHBondContact O-OG 2.71Å; F78-S82 VanDerWaalsContact O-OG 3.11Å; L79-S82 PolarHBondContact O-N 3.32Å; S82-T84 PolarHBondContact O-N 2.65Å; S82-M85 PolarHBondContact O-N 3.14Å; S82-V86 WeakPolarHBondContact O-CB 3.41Å; S82-V86 VanDerWaalsContact O-CG2 3.27Å; S82-V86 WeakPolarHBondContact O-CG2 3.43Å; S82-V86 PolarHBondContact O-N 3.06Å |
| 83 | Q | 88.5 | Confident | 87.8 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.2 | -173.5 | -176.6 | -2.4 | 0 | 0 | 111.8 | L79 S80 L81 V86 F87 W162 F176 | L79-Q83 WeakPolarHBondContact O-CB 3.46Å; L79-Q83 PolarHBondContact O-N 2.95Å; S80-Q83 PolarHBondContact O-N 3.04Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.49Å; Q83-V86 PolarHBondContact O-N 2.95Å; Q83-F87 PolarHBondContact O-N 3.48Å; Q83-W162 VanDerWaalsContact NE2-CH2 3.28Å; Q83-F176 HydrophobicContact CB-CB 4.12Å; Q83-F176 HydrophobicContact CG-CB 4.25Å |
| 84 | T | 88 | Confident | 86.9 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.08 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -38 | -179.9 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | S80 L81 S82 F87 A88 M100 I104 | S80-T84 WeakPolarHBondContact O-CB 3.48Å; S80-T84 PolarHBondContact O-N 3.15Å; S80-T84 PolarHBondContact O-OG1 3.46Å; L81-T84 PolarHBondContact O-N 3.04Å; S82-T84 PolarHBondContact O-N 2.65Å; T84-F87 PolarHBondContact O-N 3.15Å; T84-A88 WeakPolarHBondContact O-CB 3.41Å; T84-A88 PolarHBondContact O-N 2.77Å; T84-M100 HydrophobicContact CG2-CB 3.68Å; T84-M100 HydrophobicContact CG2-CG 3.87Å; T84-M100 HydrophobicContact CG2-SD 4.06Å; T84-I104 HydrophobicContact CG2-CD1 3.86Å |
| 85 | M | 87.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 34% | 0.335 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 175 | -72.5 | -70.5 | 126 | 0 | 0 | 111.4 | L81 S82 F87 A88 F89 | L81-M85 HydrophobicContact CD1-CE 4.05Å; L81-M85 HydrophobicContact CD1-CG 4.04Å; L81-M85 HydrophobicContact CG-CG 4.34Å; L81-M85 WeakPolarHBondContact O-CB 3.47Å; L81-M85 VanDerWaalsContact O-CG 3.24Å; L81-M85 WeakPolarHBondContact O-CG 3.37Å; L81-M85 PolarHBondContact O-N 3.08Å; S82-M85 PolarHBondContact O-N 3.14Å; M85-F87 VanDerWaalsContact C-N 3.31Å; M85-F87 PolarHBondContact O-N 3.38Å; M85-A88 PolarHBondContact O-N 3.25Å; M85-A88 VanDerWaalsContact O-N 3.16Å; M85-F89 HydrophobicContact CB-CD2 4.25Å; M85-F89 HydrophobicContact CB-CE2 4.32Å; M85-F89 WeakPolarHBondContact O-CB 3.46Å; M85-F89 WeakPolarHBondContact O-CD2 3.38Å; M85-F89 PolarHBondContact O-N 3.46Å; M85-F89 HydrophobicContact SD-CE2 3.94Å |
| 86 | V | 87.1 | Confident | 85.8 | Confident | 23 Ų | 23 | 61 Ų | 61 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 175.5 | 168 | 0 | 0 | 0 | 0 | 110.7 | S82 Q83 A88 F89 M90 V172 E173 F176 | S82-V86 WeakPolarHBondContact O-CB 3.41Å; S82-V86 VanDerWaalsContact O-CG2 3.27Å; S82-V86 WeakPolarHBondContact O-CG2 3.43Å; S82-V86 PolarHBondContact O-N 3.06Å; Q83-V86 PolarHBondContact O-N 2.95Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 3.15Å; V86-F89 PolarHBondContact O-N 2.87Å; V86-M90 HydrophobicContact CG1-CE 4.29Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 HydrophobicContact CG1-SD 3.94Å; V86-M90 VanDerWaalsContact O-CB 3.31Å; V86-M90 WeakPolarHBondContact O-CB 3.43Å; V86-M90 WeakPolarHBondContact O-CG 3.07Å; V86-M90 PolarHBondContact O-N 2.84Å; V86-V172 HydrophobicContact CG1-CB 4.38Å; V86-V172 HydrophobicContact CG1-CG1 3.79Å; V86-V172 HydrophobicContact CG2-CG1 4.38Å; V86-E173 HydrophobicContact CG1-CG 3.97Å; V86-F176 HydrophobicContact CG2-CD2 4.08Å; V86-F176 HydrophobicContact CG2-CE2 3.8Å; V86-F176 HydrophobicContact CG2-CZ 4.46Å |
| 87 | F | 86 | Confident | 85.5 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.6 | 176.4 | -111.4 | 0 | 0 | 0 | 112.5 | Q83 T84 M85 N91 L93 M100 E173 | Q83-F87 PolarHBondContact O-N 3.48Å; T84-F87 PolarHBondContact O-N 3.15Å; M85-F87 VanDerWaalsContact C-N 3.31Å; M85-F87 PolarHBondContact O-N 3.38Å; F87-N91 WeakPolarHBondContact CD2-ND2 3.36Å; F87-N91 WeakPolarHBondContact CE2-ND2 3.19Å; F87-N91 WeakPolarHBondContact O-CB 3.15Å; F87-N91 PolarHBondContact O-N 3.22Å; F87-N91 PolarHBondContact O-ND2 3.13Å; F87-N91 VanDerWaalsContact O-ND2 3.12Å; F87-L93 HydrophobicContact CD1-CD1 4.11Å; F87-L93 HydrophobicContact CE1-CD1 3.85Å; F87-M100 HydrophobicContact CD1-CE 3.33Å; F87-M100 HydrophobicContact CD1-SD 4.45Å; F87-M100 HydrophobicContact CE1-CE 3.21Å; F87-E173 WeakPolarHBondContact CD2-OE1 3.26Å |
| 88 | A | 85.6 | Confident | 85.3 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 12% | 0.116 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.4 | -40.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | T84 M85 V86 L93 | T84-A88 WeakPolarHBondContact O-CB 3.41Å; T84-A88 PolarHBondContact O-N 2.77Å; M85-A88 PolarHBondContact O-N 3.25Å; M85-A88 VanDerWaalsContact O-N 3.16Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 3.15Å; A88-L93 HydrophobicContact CB-CD1 4.36Å; A88-L93 PolarHBondContact O-N 2.93Å |
| 89 | F | 84.2 | Confident | 85.1 | Confident | 150 Ų | 150 | 57.5 Ų | 57.5 | 66% | 0.658 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -78 | -39 | -179.3 | -77.4 | -66.1 | 0 | 0 | 0 | 113.3 | M85 V86 | M85-F89 HydrophobicContact CB-CD2 4.25Å; M85-F89 HydrophobicContact CB-CE2 4.32Å; M85-F89 WeakPolarHBondContact O-CB 3.46Å; M85-F89 WeakPolarHBondContact O-CD2 3.38Å; M85-F89 PolarHBondContact O-N 3.46Å; M85-F89 HydrophobicContact SD-CE2 3.94Å; V86-F89 PolarHBondContact O-N 2.87Å |
| 90 | M | 82.2 | Confident | 85 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -81.9 | -20.8 | -174.2 | -68.9 | -160.5 | 174.9 | 0 | 0 | 114.2 | V86 A169 V172 | V86-M90 HydrophobicContact CG1-CE 4.29Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 HydrophobicContact CG1-SD 3.94Å; V86-M90 VanDerWaalsContact O-CB 3.31Å; V86-M90 WeakPolarHBondContact O-CB 3.43Å; V86-M90 WeakPolarHBondContact O-CG 3.07Å; V86-M90 PolarHBondContact O-N 2.84Å; M90-A169 HydrophobicContact CB-CB 3.74Å; M90-A169 HydrophobicContact CG-CB 4.44Å; M90-A169 VanDerWaalsContact SD-CA 3.53Å; M90-A169 HydrophobicContact SD-CB 3.87Å; M90-V172 HydrophobicContact CE-CB 4.28Å; M90-V172 HydrophobicContact CE-CG1 4.15Å; M90-V172 HydrophobicContact CE-CG2 4.18Å; M90-V172 HydrophobicContact SD-CB 4.35Å |
| 91 | N | 79.4 | Confident | 85 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 14.5 | 175.6 | -63.8 | -57.1 | 0 | 0 | 0 | 113 | F87 L93 E173 | F87-N91 WeakPolarHBondContact CD2-ND2 3.36Å; F87-N91 WeakPolarHBondContact CE2-ND2 3.19Å; F87-N91 WeakPolarHBondContact O-CB 3.15Å; F87-N91 PolarHBondContact O-N 3.22Å; F87-N91 PolarHBondContact O-ND2 3.13Å; F87-N91 VanDerWaalsContact O-ND2 3.12Å; N91-L93 VanDerWaalsContact C-N 3.26Å; N91-L93 HydrophobicContact CB-CD2 4.5Å; N91-L93 HydrophobicContact CB-CG 4.5Å; N91-L93 PolarHBondContact O-N 2.85Å; N91-L93 VanDerWaalsContact O-N 3.16Å; N91-E173 PolarHBondContact ND2-OE1 3.15Å |
| 92 | D | 74.7 | Confident | 85.1 | Confident | 146 Ų | 146 | 61 Ų | 61 | 78% | 0.781 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 48.5 | 179.1 | -71.1 | -36.4 | 0 | 0 | 0 | 113.2 | E94 | D92-E94 PolarHBondContact O-N 3.45Š|
| 93 | L | 74.2 | Confident | 85.1 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | trans | -66.1 | 123.6 | -178.9 | -66.3 | -178 | 0 | 0 | 0 | 110.2 | F87 A88 N91 H95 Y97 M100 | F87-L93 HydrophobicContact CD1-CD1 4.11Å; F87-L93 HydrophobicContact CE1-CD1 3.85Å; A88-L93 HydrophobicContact CB-CD1 4.36Å; A88-L93 PolarHBondContact O-N 2.93Å; N91-L93 VanDerWaalsContact C-N 3.26Å; N91-L93 HydrophobicContact CB-CD2 4.5Å; N91-L93 HydrophobicContact CB-CG 4.5Å; N91-L93 PolarHBondContact O-N 2.85Å; N91-L93 VanDerWaalsContact O-N 3.16Å; L93-H95 PolarHBondContact O-N 3.24Å; L93-Y97 HydrophobicContact CD1-CD2 4.24Å; L93-Y97 HydrophobicContact CD1-CE2 4.1Å; L93-Y97 HydrophobicContact CD2-CE2 4.01Å; L93-M100 HydrophobicContact CD1-CE 3.7Å; L93-M100 HydrophobicContact CD1-SD 4.48Å | ||
| 94 | E | 74.6 | Confident | 85.3 | Confident | 176 Ų | 176 | 59.6 Ų | 59.6 | 82% | 0.822 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -54.7 | -37.7 | 178 | -68.7 | -175.7 | 165 | 0 | 0 | 112 | D92 | D92-E94 PolarHBondContact O-N 3.45Š|
| 95 | H | 80.3 | Confident | 85.6 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 62% | 0.62 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -143.6 | 149 | 179.4 | -58 | -42.5 | 0 | 0 | 0 | 111.7 | L93 Y97 | L93-H95 PolarHBondContact O-N 3.24Å; H95-Y97 PolarHBondContact O-N 3.23Å |
| 96 | V | 84 | Confident | 85.9 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | trans | -74.7 | 121.5 | 171.6 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | M100 | V96-M100 HydrophobicContact CG1-CB 4.07Å; V96-M100 HydrophobicContact CG1-SD 4Å | ||
| 97 | Y | 88 | Confident | 86.2 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 9% | 0.094 | 30% | 0.302 | C | S | . | . | trans | -73.5 | 148.5 | -179.5 | -63.4 | -70.7 | 0 | 0 | 0 | 112.6 | S3 C5 H6 L93 H95 Y99 M100 | S3-Y97 WeakPolarHBondContact OG-CD1 3.46Å; S3-Y97 WeakPolarHBondContact OG-CE1 3.45Å; C5-Y97 WeakPolarHBondContact O-CD1 3.28Å; H6-Y97 HydrophobicContact CB-CE1 4.46Å; H6-Y97 HydrophobicContact CB-CE2 4.18Å; H6-Y97 AromaticContact CD2-CE2 3.61Å; H6-Y97 AromaticContact CD2-CZ 3.5Å; H6-Y97 VanDerWaalsContact CD2-CZ 3.5Å; H6-Y97 PolarHBondContact CD2-OH 2.77Å; L93-Y97 HydrophobicContact CD1-CD2 4.24Å; L93-Y97 HydrophobicContact CD1-CE2 4.1Å; L93-Y97 HydrophobicContact CD2-CE2 4.01Å; H95-Y97 PolarHBondContact O-N 3.23Å; Y97-Y99 VanDerWaalsContact C-N 3.29Å; Y97-Y99 HydrophobicContact CD2-CE1 4.34Å; Y97-Y99 HydrophobicContact CG-CE1 4.3Å; Y97-Y99 PolarHBondContact O-N 3.38Å; Y97-M100 HydrophobicContact CD2-CE 3.94Å; Y97-M100 WeakPolarHBondContact O-CB 3.48Å; Y97-M100 PolarHBondContact O-N 2.87Å; Y97-M100 VanDerWaalsContact O-N 3.09Å | ||
| 98 | G | 87.8 | Confident | 86.6 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -34.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S3 F4 M100 T101 Y102 | S3-G98 PolarHBondContact O-N 3.33Å; F4-G98 PolarHBondContact O-N 2.88Å; G98-M100 VanDerWaalsContact C-N 3.26Å; G98-M100 PolarHBondContact O-N 3.04Å; G98-T101 PolarHBondContact O-N 2.98Å; G98-Y102 WeakPolarHBondContact O-CB 3.31Å; G98-Y102 PolarHBondContact O-N 2.81Å |
| 99 | Y | 89.8 | Confident | 87 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -31.3 | 179.1 | 82 | -93.8 | 0 | 0 | 0 | 113.2 | F4 C23 H26 Y97 S103 | F4-Y99 WeakPolarHBondContact O-CD1 3.28Å; F4-Y99 PolarHBondContact O-N 3.09Å; F4-Y99 VanDerWaalsContact O-N 3.07Å; C23-Y99 HydrophobicContact CB-CD1 3.96Å; C23-Y99 HydrophobicContact CB-CE1 4.25Å; C23-Y99 HydrophobicContact CB-CG 4.19Å; H26-Y99 HydrophobicContact CB-CD2 3.74Å; H26-Y99 HydrophobicContact CB-CE2 4.1Å; Y97-Y99 VanDerWaalsContact C-N 3.29Å; Y97-Y99 HydrophobicContact CD2-CE1 4.34Å; Y97-Y99 HydrophobicContact CG-CE1 4.3Å; Y97-Y99 PolarHBondContact O-N 3.38Å; Y99-S103 WeakPolarHBondContact O-CB 3.4Å; Y99-S103 PolarHBondContact O-N 2.71Å |
| 100 | M | 90.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.6 | -50.7 | 179.2 | -65.2 | 179.7 | -176.4 | 0 | 0 | 110.7 | T84 F87 L93 V96 Y97 G98 Y102 S103 I104 | T84-M100 HydrophobicContact CG2-CB 3.68Å; T84-M100 HydrophobicContact CG2-CG 3.87Å; T84-M100 HydrophobicContact CG2-SD 4.06Å; F87-M100 HydrophobicContact CD1-CE 3.33Å; F87-M100 HydrophobicContact CD1-SD 4.45Å; F87-M100 HydrophobicContact CE1-CE 3.21Å; L93-M100 HydrophobicContact CD1-CE 3.7Å; L93-M100 HydrophobicContact CD1-SD 4.48Å; V96-M100 HydrophobicContact CG1-CB 4.07Å; V96-M100 HydrophobicContact CG1-SD 4Å; Y97-M100 HydrophobicContact CD2-CE 3.94Å; Y97-M100 WeakPolarHBondContact O-CB 3.48Å; Y97-M100 PolarHBondContact O-N 2.87Å; Y97-M100 VanDerWaalsContact O-N 3.09Å; G98-M100 VanDerWaalsContact C-N 3.26Å; G98-M100 PolarHBondContact O-N 3.04Å; M100-Y102 VanDerWaalsContact C-N 3.3Å; M100-Y102 PolarHBondContact O-N 2.75Å; M100-S103 PolarHBondContact O-N 2.95Å; M100-I104 WeakPolarHBondContact O-CG1 3.48Å; M100-I104 PolarHBondContact O-N 2.9Å |
| 101 | T | 90.1 | Very high | 88.1 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.9 | -46.6 | 0 | 0 | 0 | 0 | 110.5 | G98 I104 I105 | G98-T101 PolarHBondContact O-N 2.98Å; T101-I104 PolarHBondContact O-N 2.82Å; T101-I105 HydrophobicContact CG2-CD1 3.97Å; T101-I105 VanDerWaalsContact O-CG1 3.26Å; T101-I105 WeakPolarHBondContact O-CG1 3.5Å; T101-I105 PolarHBondContact O-N 2.89Å |
| 102 | Y | 93.1 | Very high | 88.8 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 176 | 176.5 | -106 | 0 | 0 | 0 | 112.3 | S31 G98 M100 I104 I105 V106 | S31-Y102 PolarHBondContact OG-OH 2.91Å; G98-Y102 WeakPolarHBondContact O-CB 3.31Å; G98-Y102 PolarHBondContact O-N 2.81Å; M100-Y102 VanDerWaalsContact C-N 3.3Å; M100-Y102 PolarHBondContact O-N 2.75Å; Y102-I104 VanDerWaalsContact C-N 3.35Å; Y102-I104 PolarHBondContact O-N 3.01Å; Y102-I105 PolarHBondContact O-N 3.46Å; Y102-V106 HydrophobicContact CD2-CG2 4.3Å; Y102-V106 HydrophobicContact CE1-CG2 4.14Å; Y102-V106 HydrophobicContact CE2-CG2 3.84Å; Y102-V106 WeakPolarHBondContact O-CG2 3.34Å; Y102-V106 PolarHBondContact O-N 3.24Å |
| 103 | S | 91.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | -179.4 | -175.1 | 0 | 0 | 0 | 0 | 112 | S30 Y99 M100 V106 M107 | S30-S103 WeakPolarHBondContact OG-CA 3.43Å; S30-S103 WeakPolarHBondContact OG-CB 3.12Å; S30-S103 PolarHBondContact OG-OG 2.97Å; Y99-S103 WeakPolarHBondContact O-CB 3.4Å; Y99-S103 PolarHBondContact O-N 2.71Å; M100-S103 PolarHBondContact O-N 2.95Å; S103-V106 PolarHBondContact O-N 3.27Å; S103-M107 WeakPolarHBondContact O-CB 3.39Å; S103-M107 WeakPolarHBondContact O-CG 3.12Å; S103-M107 PolarHBondContact O-N 3.16Å |
| 104 | I | 93 | Very high | 90.6 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -49.9 | 177 | -68.2 | 162.7 | 0 | 0 | 0 | 110.7 | L81 T84 M100 T101 Y102 V106 M107 F108 | L81-I104 HydrophobicContact CD1-CD1 3.67Å; L81-I104 HydrophobicContact CD1-CG1 4.26Å; L81-I104 HydrophobicContact CD1-CG2 4.05Å; T84-I104 HydrophobicContact CG2-CD1 3.86Å; M100-I104 WeakPolarHBondContact O-CG1 3.48Å; M100-I104 PolarHBondContact O-N 2.9Å; T101-I104 PolarHBondContact O-N 2.82Å; Y102-I104 VanDerWaalsContact C-N 3.35Å; Y102-I104 PolarHBondContact O-N 3.01Å; I104-V106 VanDerWaalsContact C-N 3.31Å; I104-V106 PolarHBondContact O-N 2.81Å; I104-M107 PolarHBondContact O-N 3.05Å; I104-M107 VanDerWaalsContact O-N 3.17Å; I104-F108 HydrophobicContact CG2-CD2 3.77Å; I104-F108 HydrophobicContact CG2-CE2 3.92Å; I104-F108 WeakPolarHBondContact O-CD2 2.96Å; I104-F108 PolarHBondContact O-N 2.68Å |
| 105 | I | 94.1 | Very high | 91.5 | Very high | 95 Ų | 95 | 36.9 Ų | 36.9 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.1 | -46.8 | -178.9 | -70.3 | 166.9 | 0 | 0 | 0 | 110.8 | T101 Y102 M107 F108 I109 | T101-I105 HydrophobicContact CG2-CD1 3.97Å; T101-I105 VanDerWaalsContact O-CG1 3.26Å; T101-I105 WeakPolarHBondContact O-CG1 3.5Å; T101-I105 PolarHBondContact O-N 2.89Å; Y102-I105 PolarHBondContact O-N 3.46Å; I105-M107 PolarHBondContact O-N 2.92Å; I105-F108 PolarHBondContact O-N 2.79Å; I105-I109 HydrophobicContact CG2-CD1 3.91Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 2.91Å |
| 106 | V | 93.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | S30 C34 Y102 S103 I104 F108 I109 V110 | S30-V106 WeakPolarHBondContact O-CG1 3.39Å; C34-V106 HydrophobicContact CB-CG1 3.8Å; C34-V106 HydrophobicContact CB-CG2 4.36Å; Y102-V106 HydrophobicContact CD2-CG2 4.3Å; Y102-V106 HydrophobicContact CE1-CG2 4.14Å; Y102-V106 HydrophobicContact CE2-CG2 3.84Å; Y102-V106 WeakPolarHBondContact O-CG2 3.34Å; Y102-V106 PolarHBondContact O-N 3.24Å; S103-V106 PolarHBondContact O-N 3.27Å; I104-V106 VanDerWaalsContact C-N 3.31Å; I104-V106 PolarHBondContact O-N 2.81Å; V106-F108 VanDerWaalsContact C-N 3.33Å; V106-F108 PolarHBondContact O-N 3.13Å; V106-I109 PolarHBondContact O-N 2.63Å; V106-V110 HydrophobicContact CG1-CG2 3.84Å; V106-V110 WeakPolarHBondContact O-CG2 3.41Å; V106-V110 PolarHBondContact O-N 2.94Å |
| 107 | M | 92.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | -179.1 | -69.2 | -68 | -93.6 | 0 | 0 | 112.1 | L33 I76 P77 S103 I104 I105 I109 W111 Y180 | L33-M107 HydrophobicContact CD1-SD 4.49Å; I76-M107 HydrophobicContact CG2-CE 4.27Å; P77-M107 WeakPolarHBondContact CG-O 3.19Å; S103-M107 WeakPolarHBondContact O-CB 3.39Å; S103-M107 WeakPolarHBondContact O-CG 3.12Å; S103-M107 PolarHBondContact O-N 3.16Å; I104-M107 PolarHBondContact O-N 3.05Å; I104-M107 VanDerWaalsContact O-N 3.17Å; I105-M107 PolarHBondContact O-N 2.92Å; M107-I109 PolarHBondContact O-N 3.42Å; M107-W111 VanDerWaalsContact CE-NE1 3.26Å; M107-W111 WeakPolarHBondContact O-CB 3.37Å; M107-W111 PolarHBondContact O-N 3.03Å; M107-W111 PolarHBondContact SD-NE1 3.48Å; M107-W111 VanDerWaalsContact SD-NE1 3.4Å; M107-Y180 HydrophobicContact CE-CE2 3.66Å; M107-Y180 WeakPolarHBondContact CE-OH 3.48Å |
| 108 | F | 95.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 30.4 Ų | 30.4 | 32% | 0.32 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70 | -14 | 175.4 | -88.3 | -91.7 | 0 | 0 | 0 | 114.3 | P77 F78 L81 I104 I105 V106 P112 | P77-F108 HydrophobicContact CB-CD1 4.09Å; P77-F108 HydrophobicContact CB-CD2 3.78Å; P77-F108 HydrophobicContact CB-CE1 4.09Å; P77-F108 HydrophobicContact CB-CE2 3.77Å; P77-F108 HydrophobicContact CB-CG 3.95Å; P77-F108 HydrophobicContact CB-CZ 3.93Å; P77-F108 WeakPolarHBondContact O-CE2 3.49Å; F78-F108 HydrophobicContact CD1-CE1 4.32Å; F78-F108 AromaticContact CD1-CZ 3.96Å; F78-F108 HydrophobicContact CD1-CZ 3.96Å; F78-F108 HydrophobicContact CD2-CE1 4.48Å; F78-F108 AromaticContact CE1-CE1 3.95Å; F78-F108 HydrophobicContact CE1-CE1 3.95Å; F78-F108 HydrophobicContact CE1-CZ 4.01Å; F78-F108 HydrophobicContact CE2-CE1 4.12Å; F78-F108 HydrophobicContact CG-CZ 4.23Å; F78-F108 AromaticContact CZ-CE1 3.84Å; F78-F108 HydrophobicContact CZ-CE1 3.84Å; F78-F108 HydrophobicContact CZ-CZ 4.32Å; L81-F108 HydrophobicContact CB-CE2 4.11Å; L81-F108 HydrophobicContact CD2-CE2 4.29Å; L81-F108 HydrophobicContact CD2-CZ 4.17Å; I104-F108 HydrophobicContact CG2-CD2 3.77Å; I104-F108 HydrophobicContact CG2-CE2 3.92Å; I104-F108 WeakPolarHBondContact O-CD2 2.96Å; I104-F108 PolarHBondContact O-N 2.68Å; I105-F108 PolarHBondContact O-N 2.79Å; V106-F108 VanDerWaalsContact C-N 3.33Å; V106-F108 PolarHBondContact O-N 3.13Å; F108-P112 WeakPolarHBondContact O-CD 3.43Å; F108-P112 VanDerWaalsContact O-CG 3.28Å; F108-P112 WeakPolarHBondContact O-CG 3.26Å |
| 109 | I | 93.7 | Very high | 92.6 | Very high | 81 Ų | 81 | 36.6 Ų | 36.6 | 42% | 0.415 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -94.7 | -52.2 | 175.2 | -66.1 | 166.7 | 0 | 0 | 0 | 110.6 | L38 I105 V106 M107 L113 | L38-I109 HydrophobicContact CD1-CG2 3.81Å; I105-I109 HydrophobicContact CG2-CD1 3.91Å; I105-I109 WeakPolarHBondContact O-CG1 3.38Å; I105-I109 PolarHBondContact O-N 2.91Å; V106-I109 PolarHBondContact O-N 2.63Å; M107-I109 PolarHBondContact O-N 3.42Å; I109-L113 WeakPolarHBondContact O-CB 3.3Å; I109-L113 PolarHBondContact O-N 3.24Å |
| 110 | V | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.3 | -40.1 | -167 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | F37 V106 L113 S114 F141 | F37-V110 HydrophobicContact CB-CG1 4.18Å; F37-V110 HydrophobicContact CD1-CG1 3.62Å; F37-V110 HydrophobicContact CE1-CG1 4.37Å; F37-V110 HydrophobicContact CG-CG1 4.19Å; V106-V110 HydrophobicContact CG1-CG2 3.84Å; V106-V110 WeakPolarHBondContact O-CG2 3.41Å; V106-V110 PolarHBondContact O-N 2.94Å; V110-L113 PolarHBondContact O-N 2.89Å; V110-S114 PolarHBondContact O-N 3Å; V110-F141 HydrophobicContact CB-CE2 4.49Å; V110-F141 HydrophobicContact CG1-CD2 3.91Å; V110-F141 HydrophobicContact CG1-CE2 3.14Å; V110-F141 HydrophobicContact CG1-CZ 3.64Å |
| 111 | W | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70 | -46.5 | -178.6 | -82.9 | 100.2 | 0 | 0 | 0 | 113.9 | I76 P77 M107 L113 S114 A115 F141 V184 V187 | I76-W111 HydrophobicContact CB-CD2 4.2Å; I76-W111 HydrophobicContact CB-CE3 4.41Å; I76-W111 HydrophobicContact CD1-CD2 4.42Å; I76-W111 HydrophobicContact CD1-CE3 3.95Å; I76-W111 HydrophobicContact CD1-CH2 3.49Å; I76-W111 VanDerWaalsContact CD1-CH2 3.49Å; I76-W111 HydrophobicContact CD1-CZ2 4Å; I76-W111 HydrophobicContact CD1-CZ3 3.46Å; I76-W111 VanDerWaalsContact CD1-CZ3 3.46Å; I76-W111 HydrophobicContact CG2-CD2 3.89Å; I76-W111 VanDerWaalsContact CG2-CE2 3.5Å; I76-W111 HydrophobicContact CG2-CE3 4.48Å; I76-W111 HydrophobicContact CG2-CG 4.28Å; I76-W111 HydrophobicContact CG2-CH2 4.41Å; I76-W111 HydrophobicContact CG2-CZ2 3.8Å; P77-W111 HydrophobicContact CG-CB 3.55Å; P77-W111 HydrophobicContact CG-CG 4.03Å; M107-W111 VanDerWaalsContact CE-NE1 3.26Å; M107-W111 WeakPolarHBondContact O-CB 3.37Å; M107-W111 PolarHBondContact O-N 3.03Å; M107-W111 PolarHBondContact SD-NE1 3.48Å; M107-W111 VanDerWaalsContact SD-NE1 3.4Å; W111-L113 VanDerWaalsContact C-N 3.28Å; W111-L113 PolarHBondContact O-N 3.09Å; W111-S114 WeakPolarHBondContact O-CB 3.31Å; W111-S114 PolarHBondContact O-N 2.92Å; W111-A115 PolarHBondContact O-N 3.08Å; W111-F141 HydrophobicContact CD2-CE1 4.35Å; W111-F141 HydrophobicContact CD2-CZ 4.04Å; W111-F141 AromaticContact CE2-CZ 3.99Å; W111-F141 HydrophobicContact CE3-CE1 4.17Å; W111-F141 HydrophobicContact CE3-CZ 4.33Å; W111-F141 HydrophobicContact CG-CZ 4.44Å; W111-F141 HydrophobicContact CH2-CE1 4.37Å; W111-F141 HydrophobicContact CZ2-CZ 4.26Å; W111-F141 HydrophobicContact CZ3-CE1 4.18Å; W111-V184 HydrophobicContact CH2-CG1 4.43Å; W111-V184 HydrophobicContact CH2-CG2 4.2Å; W111-V184 HydrophobicContact CZ2-CG2 3.98Å; W111-V187 HydrophobicContact CH2-CG1 4.21Å; W111-V187 HydrophobicContact CZ3-CG1 3.8Å; W111-V187 HydrophobicContact CZ3-CG2 4.47Å |
| 112 | P | 94.3 | Very high | 92.1 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 29% | 0.292 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.2 | -35.7 | 171.4 | -27.9 | 39 | 0 | 0 | 0 | 113 | L74 F108 A115 F116 | L74-P112 HydrophobicContact CD2-CB 4.12Å; L74-P112 HydrophobicContact CD2-CG 4.25Å; F108-P112 WeakPolarHBondContact O-CD 3.43Å; F108-P112 VanDerWaalsContact O-CG 3.28Å; F108-P112 WeakPolarHBondContact O-CG 3.26Å; P112-A115 PolarHBondContact O-N 2.91Å; P112-F116 WeakPolarHBondContact O-CB 3.47Å; P112-F116 PolarHBondContact O-N 3.4Å |
| 113 | L | 93.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.6 | -178.9 | 63.7 | 0 | 0 | 0 | 111.6 | F37 L42 I109 V110 W111 F116 I117 | F37-L113 HydrophobicContact CD1-CD2 4.05Å; F37-L113 HydrophobicContact CD1-CG 4.44Å; F37-L113 HydrophobicContact CE1-CB 4.24Å; F37-L113 HydrophobicContact CE1-CD2 4.08Å; F37-L113 HydrophobicContact CE1-CG 3.98Å; L42-L113 HydrophobicContact CD2-CD1 3.87Å; L42-L113 HydrophobicContact CG-CD1 4.47Å; L42-L113 HydrophobicContact CG-CD2 4.47Å; I109-L113 WeakPolarHBondContact O-CB 3.3Å; I109-L113 PolarHBondContact O-N 3.24Å; V110-L113 PolarHBondContact O-N 2.89Å; W111-L113 VanDerWaalsContact C-N 3.28Å; W111-L113 PolarHBondContact O-N 3.09Å; L113-F116 WeakPolarHBondContact O-CB 3.27Å; L113-F116 PolarHBondContact O-N 3.35Å; L113-I117 HydrophobicContact CD1-CD1 4.21Å; L113-I117 HydrophobicContact CD1-CG1 4.44Å; L113-I117 HydrophobicContact CG-CD1 3.9Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.41Å |
| 114 | S | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 173.9 | 155.7 | 0 | 0 | 0 | 0 | 111.9 | V110 W111 F116 I117 L118 F141 W142 | V110-S114 PolarHBondContact O-N 3Å; W111-S114 WeakPolarHBondContact O-CB 3.31Å; W111-S114 PolarHBondContact O-N 2.92Å; S114-F116 VanDerWaalsContact C-N 3.28Å; S114-F116 PolarHBondContact O-N 3.18Å; S114-I117 PolarHBondContact O-N 3.47Å; S114-L118 WeakPolarHBondContact O-CB 3.4Å; S114-L118 PolarHBondContact O-N 3.29Å; S114-F141 VanDerWaalsContact CB-CE1 3.42Å; S114-F141 WeakPolarHBondContact OG-CE1 3.37Å; S114-W142 PolarHBondContact OG-NE1 3.42Å; S114-W142 VanDerWaalsContact OG-NE1 3.15Å |
| 115 | A | 92.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I70 L74 W111 P112 R119 | I70-A115 HydrophobicContact CG2-CB 4.38Å; L74-A115 HydrophobicContact CD2-CB 4.35Å; L74-A115 HydrophobicContact CG-CB 4.5Å; W111-A115 PolarHBondContact O-N 3.08Å; P112-A115 PolarHBondContact O-N 2.91Å; A115-R119 PolarHBondContact O-N 2.96Å |
| 116 | F | 92.4 | Very high | 89.4 | Confident | 91 Ų | 91 | 31.2 Ų | 31.2 | 40% | 0.399 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -69.2 | -45.5 | 176.8 | -173.9 | -108.2 | 0 | 0 | 0 | 112.4 | V45 P112 L113 S114 L118 R119 T120 | V45-F116 HydrophobicContact CG1-CE1 3.85Å; V45-F116 HydrophobicContact CG2-CD1 4.12Å; V45-F116 HydrophobicContact CG2-CE1 4.27Å; P112-F116 WeakPolarHBondContact O-CB 3.47Å; P112-F116 PolarHBondContact O-N 3.4Å; L113-F116 WeakPolarHBondContact O-CB 3.27Å; L113-F116 PolarHBondContact O-N 3.35Å; S114-F116 VanDerWaalsContact C-N 3.28Å; S114-F116 PolarHBondContact O-N 3.18Å; F116-L118 PolarHBondContact O-N 2.86Å; F116-R119 WeakPolarHBondContact O-CB 3.32Å; F116-R119 PolarHBondContact O-N 3.44Å; F116-T120 HydrophobicContact CE1-CG2 4.39Å; F116-T120 PolarHBondContact O-N 2.99Å |
| 117 | I | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 176.2 | -69 | 160.2 | 0 | 0 | 0 | 110.5 | F37 V45 L113 S114 R119 T120 E121 L138 | F37-I117 HydrophobicContact CE1-CD1 3.85Å; F37-I117 HydrophobicContact CE2-CD1 4.23Å; F37-I117 HydrophobicContact CZ-CD1 3.48Å; F37-I117 VanDerWaalsContact CZ-CD1 3.48Å; V45-I117 HydrophobicContact CG2-CB 4.5Å; V45-I117 HydrophobicContact CG2-CD1 4.44Å; V45-I117 HydrophobicContact CG2-CG1 3.47Å; V45-I117 VanDerWaalsContact CG2-CG1 3.47Å; L113-I117 HydrophobicContact CD1-CD1 4.21Å; L113-I117 HydrophobicContact CD1-CG1 4.44Å; L113-I117 HydrophobicContact CG-CD1 3.9Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.41Å; S114-I117 PolarHBondContact O-N 3.47Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 PolarHBondContact O-N 3.27Å; I117-T120 WeakPolarHBondContact CA-OG1 3.36Å; I117-T120 WeakPolarHBondContact O-CA 3.19Å; I117-T120 PolarHBondContact O-N 3.43Å; I117-T120 PolarHBondContact O-OG1 3.34Å; I117-E121 HydrophobicContact CG2-CG 4.45Å; I117-E121 PolarHBondContact O-N 2.98Å; I117-L138 HydrophobicContact CB-CD1 3.98Å; I117-L138 HydrophobicContact CG2-CD1 3.83Å; I117-L138 HydrophobicContact CG2-CD2 4.47Å |
| 118 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.6 | -46.3 | 174.8 | 173.8 | 61.2 | 0 | 0 | 0 | 111.8 | L66 H69 I70 S114 F116 T120 E121 C122 H134 L138 W142 | L66-L118 HydrophobicContact CD1-CD1 4.16Å; L66-L118 HydrophobicContact CD1-CD2 4.06Å; L66-L118 HydrophobicContact CD1-CG 4.03Å; H69-L118 HydrophobicContact CB-CD2 4.32Å; H69-L118 WeakPolarHBondContact ND1-CD2 3.47Å; I70-L118 HydrophobicContact CG1-CD2 3.86Å; S114-L118 WeakPolarHBondContact O-CB 3.4Å; S114-L118 PolarHBondContact O-N 3.29Å; F116-L118 PolarHBondContact O-N 2.86Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 3.17Å; L118-E121 PolarHBondContact O-N 3.41Å; L118-C122 PolarHBondContact O-N 3.43Å; L118-C122 VanDerWaalsContact O-N 3.08Å; L118-C122 PolarHBondContact O-SG 3.3Å; L118-H134 WeakPolarHBondContact CD1-CE1 3.42Å; L118-L138 HydrophobicContact CB-CD2 4.11Å; L118-L138 HydrophobicContact CD1-CD2 4.29Å; L118-W142 HydrophobicContact CD1-CH2 4.16Å; L118-W142 HydrophobicContact CD1-CZ2 4.45Å |
| 119 | R | 89.4 | Confident | 84 | Confident | 149 Ų | 149 | 45.2 Ų | 45.2 | 56% | 0.562 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64 | -36.5 | 177.5 | -174.3 | 172.7 | -180 | 143.2 | -2.7 | 112.1 | A115 F116 I117 S123 | A115-R119 PolarHBondContact O-N 2.96Å; F116-R119 WeakPolarHBondContact O-CB 3.32Å; F116-R119 PolarHBondContact O-N 3.44Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 PolarHBondContact O-N 3.27Å; R119-S123 WeakPolarHBondContact O-CB 3.36Å; R119-S123 PolarHBondContact O-N 3.39Å; R119-S123 PolarHBondContact O-OG 3.36Å |
| 120 | T | 88 | Confident | 81.8 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68 | -44.7 | 175.8 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | V45 F116 I117 L118 C122 S123 Y124 | V45-T120 HydrophobicContact CG1-CG2 4.46Å; F116-T120 HydrophobicContact CE1-CG2 4.39Å; F116-T120 PolarHBondContact O-N 2.99Å; I117-T120 WeakPolarHBondContact CA-OG1 3.36Å; I117-T120 WeakPolarHBondContact O-CA 3.19Å; I117-T120 PolarHBondContact O-N 3.43Å; I117-T120 PolarHBondContact O-OG1 3.34Å; L118-T120 VanDerWaalsContact C-N 3.31Å; L118-T120 PolarHBondContact O-N 3.17Å; T120-C122 VanDerWaalsContact C-N 3.26Å; T120-C122 PolarHBondContact O-N 2.87Å; T120-S123 PolarHBondContact O-N 2.91Å; T120-Y124 WeakPolarHBondContact O-CD2 3.16Å; T120-Y124 PolarHBondContact O-N 2.8Å |
| 121 | E | 86.4 | Confident | 79.6 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -32.2 | 176.2 | -70.1 | -173.2 | 166.9 | 0 | 0 | 112.9 | Q44 Y48 I117 L118 S123 H134 G135 | Q44-E121 PolarHBondContact NE2-OE1 3.11Å; Y48-E121 HydrophobicContact CE1-CG 4.18Å; Y48-E121 HydrophobicContact CE2-CG 4.28Å; I117-E121 HydrophobicContact CG2-CG 4.45Å; I117-E121 PolarHBondContact O-N 2.98Å; L118-E121 PolarHBondContact O-N 3.41Å; E121-S123 VanDerWaalsContact C-N 3.26Å; E121-S123 PolarHBondContact O-N 3.12Å; E121-H134 VanDerWaalsContact OE2-CA 3.29Å; E121-H134 WeakPolarHBondContact OE2-CA 3.46Å; E121-H134 WeakPolarHBondContact OE2-CB 3.25Å; E121-H134 IonicContact OE2-CE1 3.66Å; E121-H134 IonicContact OE2-CG 2.65Å; E121-H134 IonicContact OE2-ND1 2.61Å; E121-H134 PolarHBondContact OE2-ND1 3.17Å; E121-G135 VanDerWaalsContact OE1-CA 3.26Å; E121-G135 WeakPolarHBondContact OE1-CA 3.35Å; E121-G135 PolarHBondContact OE1-N 3.34Å; E121-G135 PolarHBondContact OE2-N 3.34Å |
| 122 | C | 84.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.9 | 174.1 | -71.1 | 0 | 0 | 0 | 0 | 113.6 | I55 L66 L118 T120 | I55-C122 WeakPolarHBondContact CD1-O 3.35Å; L66-C122 HydrophobicContact CD2-CB 4.28Å; L118-C122 PolarHBondContact O-N 3.43Å; L118-C122 VanDerWaalsContact O-N 3.08Å; L118-C122 PolarHBondContact O-SG 3.3Å; T120-C122 VanDerWaalsContact C-N 3.26Å; T120-C122 PolarHBondContact O-N 2.87Å |
| 123 | S | 82.9 | Confident | 76.4 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -26.2 | -177.4 | -54 | 0 | 0 | 0 | 0 | 113.3 | I55 R119 T120 E121 | I55-S123 PolarHBondContact N-O 3.14Å; R119-S123 WeakPolarHBondContact O-CB 3.36Å; R119-S123 PolarHBondContact O-N 3.39Å; R119-S123 PolarHBondContact O-OG 3.36Å; T120-S123 PolarHBondContact O-N 2.91Å; E121-S123 VanDerWaalsContact C-N 3.26Å; E121-S123 PolarHBondContact O-N 3.12Å |
| 124 | Y | 82.9 | Confident | 75.7 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 28% | 0.275 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.7 | -176.2 | -63.6 | -88.9 | 0 | 0 | 0 | 111.7 | Q53 P54 T120 | Q53-Y124 CarbonylContact O-C 3.52Å; Q53-Y124 VanDerWaalsContact O-CA 3.3Å; Q53-Y124 WeakPolarHBondContact O-CA 3.27Å; P54-Y124 HydrophobicContact CB-CD1 4.46Å; P54-Y124 HydrophobicContact CB-CE1 4.32Å; T120-Y124 WeakPolarHBondContact O-CD2 3.16Å; T120-Y124 PolarHBondContact O-N 2.8Å |
| 125 | V | 76.8 | Confident | 75 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.5 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | G52 Q53 I55 | G52-V125 CarbonylContact C-O 3.5Å; G52-V125 VanDerWaalsContact CA-O 3.28Å; G52-V125 WeakPolarHBondContact CA-O 3.36Å; Q53-V125 PolarHBondContact N-O 3.17Å; Q53-V125 PolarHBondContact O-N 3.29Å; I55-V125 HydrophobicContact CD1-CG2 3.7Å; I55-V125 HydrophobicContact CG1-CG2 3.53Å |
| 126 | L | 73.2 | Confident | 74.4 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | trans | -90.4 | 127.6 | 169.8 | -70.7 | 170.6 | 0 | 0 | 0 | 109.2 | I47 Y48 H51 N128 F129 | I47-L126 HydrophobicContact CG2-CD1 4.24Å; I47-L126 HydrophobicContact CG2-CD2 4.3Å; Y48-L126 HydrophobicContact CD1-CD1 4.1Å; Y48-L126 HydrophobicContact CD1-CG 3.99Å; Y48-L126 HydrophobicContact CD2-CD1 3.95Å; Y48-L126 HydrophobicContact CE1-CD1 3.81Å; Y48-L126 HydrophobicContact CE1-CG 3.9Å; Y48-L126 HydrophobicContact CE2-CD1 3.65Å; Y48-L126 HydrophobicContact CG-CD1 4.17Å; Y48-L126 HydrophobicContact CG-CG 4.38Å; H51-L126 HydrophobicContact CB-CD2 3.81Å; L126-N128 VanDerWaalsContact C-N 3.3Å; L126-N128 PolarHBondContact O-N 2.87Å; L126-F129 HydrophobicContact CB-CB 4.05Å; L126-F129 HydrophobicContact CD1-CD2 4.32Å; L126-F129 PolarHBondContact O-N 3.25Å | ||
| 127 | L | 60.1 | Low | 74.1 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -31.5 | -177.4 | -67.1 | 166.6 | 0 | 0 | 0 | 112.8 | F129 L207 | L127-F129 PolarHBondContact O-N 2.89Å; L127-L207 HydrophobicContact CD2-CD2 3.34Å |
| 128 | N | 58.2 | Low | 74 | Confident | 154 Ų | 154 | 53.9 Ų | 53.9 | 82% | 0.824 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 5.4 | -176.9 | -68.2 | -1 | 0 | 0 | 0 | 113.9 | L126 | L126-N128 VanDerWaalsContact C-N 3.3Å; L126-N128 PolarHBondContact O-N 2.87Å |
| 129 | F | 50.7 | Low | 73.9 | Confident | 131 Ų | 131 | 55.8 Ų | 55.8 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | trans | -100.8 | 114.3 | -174.1 | -128.8 | -95.3 | 0 | 0 | 0 | 112.2 | L126 L127 G131 | L126-F129 HydrophobicContact CB-CB 4.05Å; L126-F129 HydrophobicContact CD1-CD2 4.32Å; L126-F129 PolarHBondContact O-N 3.25Å; L127-F129 PolarHBondContact O-N 2.89Å; F129-G131 VanDerWaalsContact C-N 3.26Å; F129-G131 PolarHBondContact O-N 3.42Å; F129-G131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | E | 46.9 | Very low | 73.8 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | trans | -81.3 | 15 | -158.5 | -50.8 | -175.5 | 122.5 | 0 | 0 | 115.7 | R226 | E130-R226 IonicContact OE1-CZ 3.67Å; E130-R226 IonicContact OE1-NH2 2.93Å; E130-R226 PolarHBondContact OE1-NH2 2.94Å | ||
| 131 | G | 48.9 | Very low | 74.1 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | trans | -170.9 | 133 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F129 S133 | F129-G131 VanDerWaalsContact C-N 3.26Å; F129-G131 PolarHBondContact O-N 3.42Å; F129-G131 VanDerWaalsContact O-N 3.09Å; G131-S133 PolarHBondContact O-N 2.88Å; G131-S133 VanDerWaalsContact O-N 3.11Å | ||
| 132 | R | 58.6 | Low | 74.4 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | trans | -89 | 57 | 175.1 | -151.6 | -168.3 | -174.2 | 133.1 | 22.8 | 112.1 | L197 P198 | R132-L197 HydrophobicContact CG-CB 4.03Å; R132-L197 HydrophobicContact CG-CD1 4.08Å; R132-L197 HydrophobicContact CG-CD2 4.05Å; R132-L197 HydrophobicContact CG-CG 4.26Å; R132-L197 WeakPolarHBondContact O-CD1 3.47Å; R132-P198 WeakPolarHBondContact CD-O 3.35Å; R132-P198 VanDerWaalsContact CZ-N 3.34Å; R132-P198 PolarHBondContact NE-O 3.21Å; R132-P198 VanDerWaalsContact NH1-CD 3.34Å; R132-P198 PolarHBondContact NH1-O 2.69Å; R132-P198 VanDerWaalsContact NH2-CG 3.31Å | ||
| 133 | S | 63.9 | Low | 74.6 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -92.7 | 169.5 | 154.7 | 57.6 | 0 | 0 | 0 | 0 | 108.4 | G131 | G131-S133 PolarHBondContact O-N 2.88Å; G131-S133 VanDerWaalsContact O-N 3.11Å |
| 134 | H | 78.6 | Confident | 75 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 153.8 | 162.8 | -71.2 | -61.5 | 0 | 0 | 0 | 110.3 | L118 E121 L138 L139 W142 G191 | L118-H134 WeakPolarHBondContact CD1-CE1 3.42Å; E121-H134 VanDerWaalsContact OE2-CA 3.29Å; E121-H134 WeakPolarHBondContact OE2-CA 3.46Å; E121-H134 WeakPolarHBondContact OE2-CB 3.25Å; E121-H134 IonicContact OE2-CE1 3.66Å; E121-H134 IonicContact OE2-CG 2.65Å; E121-H134 IonicContact OE2-ND1 2.61Å; E121-H134 PolarHBondContact OE2-ND1 3.17Å; H134-L138 HydrophobicContact CB-CD2 4.12Å; H134-L139 HydrophobicContact CB-CD2 4.46Å; H134-L139 HydrophobicContact CB-CG 4.23Å; H134-L139 WeakPolarHBondContact O-CD1 3.36Å; H134-W142 HydrophobicContact CB-CH2 4.14Å; H134-W142 HydrophobicContact CB-CZ3 3.87Å; H134-W142 AromaticContact CD2-CH2 3.85Å; H134-W142 AromaticContact CD2-CZ3 3.85Å; H134-W142 AromaticContact CG-CH2 3.78Å; H134-W142 AromaticContact CG-CZ3 3.85Å; H134-G191 PolarHBondContact CD2-O 3.36Å |
| 135 | G | 78.2 | Confident | 75.5 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 146.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E121 L137 L138 L139 | E121-G135 VanDerWaalsContact OE1-CA 3.26Å; E121-G135 WeakPolarHBondContact OE1-CA 3.35Å; E121-G135 PolarHBondContact OE1-N 3.34Å; E121-G135 PolarHBondContact OE2-N 3.34Å; G135-L137 PolarHBondContact O-N 3.25Å; G135-L137 VanDerWaalsContact O-N 3.13Å; G135-L138 PolarHBondContact O-N 3.34Å; G135-L139 PolarHBondContact O-N 3.3Å; G135-L139 VanDerWaalsContact O-N 3.11Å |
| 136 | L | 80.3 | Confident | 76.3 | Confident | 132 Ų | 132 | 52.6 Ų | 52.6 | 69% | 0.691 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -51.4 | -40.2 | -179.3 | -179.7 | 67.7 | 0 | 0 | 0 | 111.4 | L138 L139 C140 | L136-L138 VanDerWaalsContact C-N 3.35Å; L136-L138 PolarHBondContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.44Å; L136-C140 VanDerWaalsContact O-CB 3.26Å; L136-C140 WeakPolarHBondContact O-CB 3.42Å; L136-C140 PolarHBondContact O-N 2.92Å; L136-C140 PolarHBondContact O-SG 2.92Å |
| 137 | L | 85.9 | Confident | 77.1 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 179 | -173.7 | 73 | 0 | 0 | 0 | 112.8 | L36 F37 P40 G41 Q44 G135 C140 F141 | L36-L137 WeakPolarHBondContact O-CD1 3.42Å; F37-L137 HydrophobicContact CD2-CD1 4.41Å; F37-L137 HydrophobicContact CD2-CD2 4.19Å; F37-L137 HydrophobicContact CD2-CG 3.93Å; F37-L137 HydrophobicContact CE2-CD2 4.19Å; F37-L137 HydrophobicContact CE2-CG 4.04Å; P40-L137 VanDerWaalsContact C-CD2 3.42Å; P40-L137 HydrophobicContact CB-CD1 3.71Å; P40-L137 HydrophobicContact CB-CD2 3.82Å; P40-L137 HydrophobicContact CB-CG 4.43Å; P40-L137 HydrophobicContact CG-CD1 4.46Å; G41-L137 VanDerWaalsContact CA-CD2 3.4Å; G41-L137 VanDerWaalsContact N-CD2 3.32Å; Q44-L137 HydrophobicContact CB-CD2 4.42Å; G135-L137 PolarHBondContact O-N 3.25Å; G135-L137 VanDerWaalsContact O-N 3.13Å; L137-C140 PolarHBondContact O-N 3.29Å; L137-F141 WeakPolarHBondContact O-CB 3.19Å; L137-F141 PolarHBondContact O-N 3.15Å |
| 138 | L | 89.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.2 | -41 | -178.8 | -155.4 | 72.5 | 0 | 0 | 0 | 110.9 | F37 I117 L118 H134 G135 L136 F141 W142 | F37-L138 HydrophobicContact CE2-CD1 4.05Å; F37-L138 HydrophobicContact CZ-CD1 3.77Å; I117-L138 HydrophobicContact CB-CD1 3.98Å; I117-L138 HydrophobicContact CG2-CD1 3.83Å; I117-L138 HydrophobicContact CG2-CD2 4.47Å; L118-L138 HydrophobicContact CB-CD2 4.11Å; L118-L138 HydrophobicContact CD1-CD2 4.29Å; H134-L138 HydrophobicContact CB-CD2 4.12Å; G135-L138 PolarHBondContact O-N 3.34Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L136-L138 PolarHBondContact O-N 3.07Å; L138-F141 WeakPolarHBondContact O-CB 3.4Å; L138-F141 PolarHBondContact O-N 3.42Å; L138-W142 HydrophobicContact CB-CH2 4.34Å; L138-W142 HydrophobicContact CB-CZ3 4.4Å; L138-W142 HydrophobicContact CD1-CZ2 4.13Å; L138-W142 HydrophobicContact CD2-CH2 3.1Å; L138-W142 HydrophobicContact CD2-CZ2 3.28Å; L138-W142 HydrophobicContact CD2-CZ3 3.9Å; L138-W142 HydrophobicContact CG-CD2 4.28Å; L138-W142 HydrophobicContact CG-CE3 4.34Å; L138-W142 HydrophobicContact CG-CH2 3.47Å; L138-W142 VanDerWaalsContact CG-CH2 3.47Å; L138-W142 HydrophobicContact CG-CZ2 3.35Å; L138-W142 HydrophobicContact CG-CZ3 3.95Å; L138-W142 VanDerWaalsContact O-CD2 3.24Å; L138-W142 PolarHBondContact O-N 2.89Å |
| 139 | L | 88 | Confident | 80.1 | Confident | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 173.1 | -70.6 | 170.2 | 0 | 0 | 0 | 111.9 | H134 G135 L136 F141 W142 T143 | H134-L139 HydrophobicContact CB-CD2 4.46Å; H134-L139 HydrophobicContact CB-CG 4.23Å; H134-L139 WeakPolarHBondContact O-CD1 3.36Å; G135-L139 PolarHBondContact O-N 3.3Å; G135-L139 VanDerWaalsContact O-N 3.11Å; L136-L139 PolarHBondContact O-N 3.44Å; L139-F141 VanDerWaalsContact C-N 3.31Å; L139-F141 PolarHBondContact O-N 2.89Å; L139-W142 HydrophobicContact CD2-CE3 4.05Å; L139-W142 HydrophobicContact CD2-CZ3 4.1Å; L139-W142 PolarHBondContact O-N 3.34Å; L139-T143 WeakPolarHBondContact O-CB 3.49Å; L139-T143 VanDerWaalsContact O-CG2 3.27Å; L139-T143 WeakPolarHBondContact O-CG2 3.34Å; L139-T143 PolarHBondContact O-N 3.27Å; L139-T143 PolarHBondContact O-OG1 3.29Å |
| 140 | C | 87.9 | Confident | 82.1 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 173.3 | -76.7 | 0 | 0 | 0 | 0 | 111.2 | L136 L137 T143 L144 | L136-C140 VanDerWaalsContact O-CB 3.26Å; L136-C140 WeakPolarHBondContact O-CB 3.42Å; L136-C140 PolarHBondContact O-N 2.92Å; L136-C140 PolarHBondContact O-SG 2.92Å; L137-C140 PolarHBondContact O-N 3.29Å; C140-T143 VanDerWaalsContact C-OG1 3.32Å; C140-T143 WeakPolarHBondContact CA-OG1 3.13Å; C140-T143 PolarHBondContact O-OG1 2.91Å; C140-L144 WeakPolarHBondContact O-CB 3.34Å; C140-L144 PolarHBondContact O-N 3.33Å |
| 141 | F | 93.2 | Very high | 83.9 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -47.9 | 176.4 | 171.6 | -105 | 0 | 0 | 0 | 112.5 | L33 F37 V110 W111 S114 L137 L138 L139 L144 S145 | L33-F141 HydrophobicContact CB-CE2 4.43Å; L33-F141 HydrophobicContact CD2-CD2 3.82Å; L33-F141 HydrophobicContact CD2-CE2 3.73Å; L33-F141 HydrophobicContact CG-CE2 4.47Å; F37-F141 HydrophobicContact CB-CD2 4.11Å; F37-F141 HydrophobicContact CD1-CD2 4.2Å; F37-F141 HydrophobicContact CD1-CG 4.42Å; F37-F141 HydrophobicContact CD2-CB 3.45Å; F37-F141 VanDerWaalsContact CD2-CB 3.45Å; F37-F141 AromaticContact CD2-CD2 3.92Å; F37-F141 HydrophobicContact CD2-CD2 3.92Å; F37-F141 AromaticContact CD2-CG 3.71Å; F37-F141 HydrophobicContact CD2-CG 3.71Å; F37-F141 HydrophobicContact CE1-CG 4.43Å; F37-F141 HydrophobicContact CE2-CB 3.5Å; F37-F141 VanDerWaalsContact CE2-CB 3.5Å; F37-F141 HydrophobicContact CE2-CD1 4.22Å; F37-F141 HydrophobicContact CE2-CD2 4.36Å; F37-F141 AromaticContact CE2-CG 3.75Å; F37-F141 HydrophobicContact CE2-CG 3.75Å; F37-F141 HydrophobicContact CG-CB 4.22Å; F37-F141 AromaticContact CG-CD2 3.8Å; F37-F141 HydrophobicContact CG-CD2 3.8Å; F37-F141 HydrophobicContact CG-CG 4.04Å; F37-F141 HydrophobicContact CZ-CB 4.3Å; F37-F141 HydrophobicContact CZ-CD1 4.19Å; F37-F141 HydrophobicContact CZ-CG 4.1Å; V110-F141 HydrophobicContact CB-CE2 4.49Å; V110-F141 HydrophobicContact CG1-CD2 3.91Å; V110-F141 HydrophobicContact CG1-CE2 3.14Å; V110-F141 HydrophobicContact CG1-CZ 3.64Å; W111-F141 HydrophobicContact CD2-CE1 4.35Å; W111-F141 HydrophobicContact CD2-CZ 4.04Å; W111-F141 AromaticContact CE2-CZ 3.99Å; W111-F141 HydrophobicContact CE3-CE1 4.17Å; W111-F141 HydrophobicContact CE3-CZ 4.33Å; W111-F141 HydrophobicContact CG-CZ 4.44Å; W111-F141 HydrophobicContact CH2-CE1 4.37Å; W111-F141 HydrophobicContact CZ2-CZ 4.26Å; W111-F141 HydrophobicContact CZ3-CE1 4.18Å; S114-F141 VanDerWaalsContact CB-CE1 3.42Å; S114-F141 WeakPolarHBondContact OG-CE1 3.37Å; L137-F141 WeakPolarHBondContact O-CB 3.19Å; L137-F141 PolarHBondContact O-N 3.15Å; L138-F141 WeakPolarHBondContact O-CB 3.4Å; L138-F141 PolarHBondContact O-N 3.42Å; L139-F141 VanDerWaalsContact C-N 3.31Å; L139-F141 PolarHBondContact O-N 2.89Å; F141-L144 PolarHBondContact O-N 2.77Å; F141-S145 WeakPolarHBondContact CE2-OG 3.32Å; F141-S145 WeakPolarHBondContact CZ-OG 3.34Å; F141-S145 VanDerWaalsContact O-CB 3.27Å; F141-S145 WeakPolarHBondContact O-CB 3.45Å; F141-S145 PolarHBondContact O-N 2.96Å; F141-S145 PolarHBondContact O-OG 2.96Å |
| 142 | W | 93.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.8 | -40.1 | 179.5 | -60.8 | -39.3 | 0 | 0 | 0 | 113 | H69 S114 L118 H134 L138 L139 L144 S145 F146 V187 F188 | H69-W142 AromaticContact CE1-CE2 3.8Å; H69-W142 AromaticContact CE1-CH2 3.52Å; H69-W142 AromaticContact CE1-CZ2 3.27Å; H69-W142 WeakPolarHBondContact CE1-CZ2 3.35Å; H69-W142 AromaticContact NE2-CE2 3.94Å; H69-W142 AromaticContact NE2-CZ2 3.85Å; S114-W142 PolarHBondContact OG-NE1 3.42Å; S114-W142 VanDerWaalsContact OG-NE1 3.15Å; L118-W142 HydrophobicContact CD1-CH2 4.16Å; L118-W142 HydrophobicContact CD1-CZ2 4.45Å; H134-W142 HydrophobicContact CB-CH2 4.14Å; H134-W142 HydrophobicContact CB-CZ3 3.87Å; H134-W142 AromaticContact CD2-CH2 3.85Å; H134-W142 AromaticContact CD2-CZ3 3.85Å; H134-W142 AromaticContact CG-CH2 3.78Å; H134-W142 AromaticContact CG-CZ3 3.85Å; L138-W142 HydrophobicContact CB-CH2 4.34Å; L138-W142 HydrophobicContact CB-CZ3 4.4Å; L138-W142 HydrophobicContact CD1-CZ2 4.13Å; L138-W142 HydrophobicContact CD2-CH2 3.1Å; L138-W142 HydrophobicContact CD2-CZ2 3.28Å; L138-W142 HydrophobicContact CD2-CZ3 3.9Å; L138-W142 HydrophobicContact CG-CD2 4.28Å; L138-W142 HydrophobicContact CG-CE3 4.34Å; L138-W142 HydrophobicContact CG-CH2 3.47Å; L138-W142 VanDerWaalsContact CG-CH2 3.47Å; L138-W142 HydrophobicContact CG-CZ2 3.35Å; L138-W142 HydrophobicContact CG-CZ3 3.95Å; L138-W142 VanDerWaalsContact O-CD2 3.24Å; L138-W142 PolarHBondContact O-N 2.89Å; L139-W142 HydrophobicContact CD2-CE3 4.05Å; L139-W142 HydrophobicContact CD2-CZ3 4.1Å; L139-W142 PolarHBondContact O-N 3.34Å; W142-L144 VanDerWaalsContact C-N 3.35Å; W142-S145 PolarHBondContact O-N 3.35Å; W142-F146 VanDerWaalsContact O-CB 3.27Å; W142-F146 WeakPolarHBondContact O-CB 3.17Å; W142-F146 PolarHBondContact O-N 2.91Å; W142-V187 HydrophobicContact CG-CG1 4.29Å; W142-F188 HydrophobicContact CB-CD2 4.12Å |
| 143 | T | 89.2 | Confident | 86.9 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60 | -46.8 | 174.2 | 45.9 | 0 | 0 | 0 | 0 | 110.7 | L139 C140 F146 L147 F188 | L139-T143 WeakPolarHBondContact O-CB 3.49Å; L139-T143 VanDerWaalsContact O-CG2 3.27Å; L139-T143 WeakPolarHBondContact O-CG2 3.34Å; L139-T143 PolarHBondContact O-N 3.27Å; L139-T143 PolarHBondContact O-OG1 3.29Å; C140-T143 VanDerWaalsContact C-OG1 3.32Å; C140-T143 WeakPolarHBondContact CA-OG1 3.13Å; C140-T143 PolarHBondContact O-OG1 2.91Å; T143-F146 WeakPolarHBondContact O-CB 3.19Å; T143-F146 PolarHBondContact O-N 3.33Å; T143-L147 VanDerWaalsContact O-CG 3.3Å; T143-L147 WeakPolarHBondContact O-CG 3.23Å; T143-L147 PolarHBondContact O-N 3.13Å; T143-F188 HydrophobicContact CG2-CD2 4.21Å; T143-F188 HydrophobicContact CG2-CE2 3.35Å; T143-F188 HydrophobicContact CG2-CZ 4.04Å |
| 144 | L | 91.4 | Very high | 87.7 | Confident | 44 Ų | 44 | 40.7 Ų | 40.7 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.6 | -41.6 | 179.7 | -165.6 | 69.2 | 0 | 0 | 0 | 111.5 | I32 L33 L36 C140 F141 W142 F146 L147 L148 | I32-L144 HydrophobicContact CG2-CD1 4.42Å; I32-L144 HydrophobicContact CG2-CD2 3.33Å; I32-L144 HydrophobicContact CG2-CG 4.25Å; L33-L144 HydrophobicContact CD2-CB 4.26Å; L33-L144 HydrophobicContact CD2-CD2 3.94Å; L33-L144 HydrophobicContact CD2-CG 4.19Å; L36-L144 HydrophobicContact CD1-CD2 3.9Å; C140-L144 WeakPolarHBondContact O-CB 3.34Å; C140-L144 PolarHBondContact O-N 3.33Å; F141-L144 PolarHBondContact O-N 2.77Å; W142-L144 VanDerWaalsContact C-N 3.35Å; L144-F146 VanDerWaalsContact C-N 3.3Å; L144-F146 PolarHBondContact O-N 2.65Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CD2-CD1 4.46Å; L144-L148 HydrophobicContact CG-CD1 3.87Å; L144-L148 HydrophobicContact CG-CG 4.38Å; L144-L148 VanDerWaalsContact O-CB 3.27Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.14Å |
| 145 | S | 92.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 174 | -62.1 | 0 | 0 | 0 | 0 | 111.6 | L33 F141 W142 A149 | L33-S145 WeakPolarHBondContact CD2-OG 3.2Å; F141-S145 WeakPolarHBondContact CE2-OG 3.32Å; F141-S145 WeakPolarHBondContact CZ-OG 3.34Å; F141-S145 VanDerWaalsContact O-CB 3.27Å; F141-S145 WeakPolarHBondContact O-CB 3.45Å; F141-S145 PolarHBondContact O-N 2.96Å; F141-S145 PolarHBondContact O-OG 2.96Å; W142-S145 PolarHBondContact O-N 3.35Å; S145-A149 VanDerWaalsContact O-CB 3.31Å; S145-A149 WeakPolarHBondContact O-CB 3.21Å; S145-A149 PolarHBondContact O-N 3.18Å |
| 146 | F | 93.2 | Very high | 88 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 25% | 0.254 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.7 | -52 | 174.4 | 171.3 | -98.4 | 0 | 0 | 0 | 111.5 | W142 T143 L144 L148 A149 F150 V184 S185 F188 | W142-F146 VanDerWaalsContact O-CB 3.27Å; W142-F146 WeakPolarHBondContact O-CB 3.17Å; W142-F146 PolarHBondContact O-N 2.91Å; T143-F146 WeakPolarHBondContact O-CB 3.19Å; T143-F146 PolarHBondContact O-N 3.33Å; L144-F146 VanDerWaalsContact C-N 3.3Å; L144-F146 PolarHBondContact O-N 2.65Å; F146-L148 VanDerWaalsContact C-N 3.33Å; F146-L148 PolarHBondContact O-N 3.4Å; F146-A149 PolarHBondContact O-N 3.02Å; F146-F150 HydrophobicContact CD2-CD2 4.16Å; F146-F150 AromaticContact CD2-CE2 3.79Å; F146-F150 HydrophobicContact CD2-CE2 3.79Å; F146-F150 AromaticContact CE2-CD2 3.92Å; F146-F150 HydrophobicContact CE2-CD2 3.92Å; F146-F150 AromaticContact CE2-CE2 3.38Å; F146-F150 HydrophobicContact CE2-CE2 3.38Å; F146-F150 HydrophobicContact CE2-CZ 4.38Å; F146-F150 HydrophobicContact CZ-CD2 4.11Å; F146-F150 AromaticContact CZ-CE2 3.9Å; F146-F150 HydrophobicContact CZ-CE2 3.9Å; F146-F150 VanDerWaalsContact O-CD2 3.31Å; F146-F150 WeakPolarHBondContact O-CD2 3.38Å; F146-F150 PolarHBondContact O-N 2.89Å; F146-V184 HydrophobicContact CB-CG1 4.4Å; F146-S185 WeakPolarHBondContact CE2-OG 3.39Å; F146-F188 HydrophobicContact CB-CB 4.08Å; F146-F188 HydrophobicContact CB-CD1 4.11Å; F146-F188 HydrophobicContact CB-CD2 4.42Å; F146-F188 HydrophobicContact CB-CG 3.94Å; F146-F188 HydrophobicContact CD1-CD1 4.1Å; F146-F188 HydrophobicContact CD1-CE1 4.04Å; F146-F188 HydrophobicContact CD2-CB 4.38Å; F146-F188 AromaticContact CD2-CD1 3.77Å; F146-F188 HydrophobicContact CD2-CD1 3.77Å; F146-F188 HydrophobicContact CD2-CE1 4.44Å; F146-F188 HydrophobicContact CD2-CG 4.3Å; F146-F188 HydrophobicContact CE1-CE1 4.26Å; F146-F188 HydrophobicContact CE2-CD1 4.16Å; F146-F188 HydrophobicContact CG-CB 4.44Å; F146-F188 AromaticContact CG-CD1 3.72Å; F146-F188 HydrophobicContact CG-CD1 3.72Å; F146-F188 HydrophobicContact CG-CE1 4.14Å; F146-F188 HydrophobicContact CG-CG 4.08Å |
| 147 | L | 91.1 | Very high | 87.8 | Confident | 112 Ų | 112 | 43.4 Ų | 43.4 | 59% | 0.586 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.6 | -43.7 | 178.8 | -69.5 | 173.6 | 0 | 0 | 0 | 111.9 | T143 L144 F150 L151 | T143-L147 VanDerWaalsContact O-CG 3.3Å; T143-L147 WeakPolarHBondContact O-CG 3.23Å; T143-L147 PolarHBondContact O-N 3.13Å; L144-L147 PolarHBondContact O-N 3.49Å; L147-F150 PolarHBondContact O-N 2.7Å; L147-L151 PolarHBondContact O-N 3.37Å |
| 148 | L | 90.8 | Very high | 87.5 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.3 | -31.9 | 179.7 | -69.4 | 171 | 0 | 0 | 0 | 112.6 | L33 L144 F146 F150 L151 | L33-L148 HydrophobicContact CD1-CD1 4.1Å; L33-L148 HydrophobicContact CD2-CD1 4.09Å; L33-L148 HydrophobicContact CG-CD1 3.82Å; L144-L148 HydrophobicContact CD2-CD1 4.46Å; L144-L148 HydrophobicContact CG-CD1 3.87Å; L144-L148 HydrophobicContact CG-CG 4.38Å; L144-L148 VanDerWaalsContact O-CB 3.27Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.38Å; L144-L148 PolarHBondContact O-N 3.14Å; F146-L148 VanDerWaalsContact C-N 3.33Å; F146-L148 PolarHBondContact O-N 3.4Å; L148-F150 PolarHBondContact O-N 3.16Å; L148-L151 HydrophobicContact CD2-CD2 4.05Å; L148-L151 VanDerWaalsContact O-CB 3.29Å; L148-L151 WeakPolarHBondContact O-CB 3.48Å; L148-L151 PolarHBondContact O-N 3.35Å |
| 149 | A | 90.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -29.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S145 F146 P152 W177 Y180 V184 | S145-A149 VanDerWaalsContact O-CB 3.31Å; S145-A149 WeakPolarHBondContact O-CB 3.21Å; S145-A149 PolarHBondContact O-N 3.18Å; F146-A149 PolarHBondContact O-N 3.02Å; A149-P152 WeakPolarHBondContact O-CD 3.37Å; A149-W177 PolarHBondContact O-NE1 3.1Å; A149-Y180 HydrophobicContact CB-CD1 4.4Å; A149-Y180 HydrophobicContact CB-CE1 3.71Å; A149-V184 HydrophobicContact CB-CB 4.34Å; A149-V184 HydrophobicContact CB-CG1 4.12Å |
| 150 | F | 90.8 | Very high | 86.3 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 28% | 0.281 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.5 | 177.4 | -74.1 | -72.2 | 0 | 0 | 0 | 114.3 | F146 L147 L148 P152 L153 W177 A181 S185 | F146-F150 HydrophobicContact CD2-CD2 4.16Å; F146-F150 AromaticContact CD2-CE2 3.79Å; F146-F150 HydrophobicContact CD2-CE2 3.79Å; F146-F150 AromaticContact CE2-CD2 3.92Å; F146-F150 HydrophobicContact CE2-CD2 3.92Å; F146-F150 AromaticContact CE2-CE2 3.38Å; F146-F150 HydrophobicContact CE2-CE2 3.38Å; F146-F150 HydrophobicContact CE2-CZ 4.38Å; F146-F150 HydrophobicContact CZ-CD2 4.11Å; F146-F150 AromaticContact CZ-CE2 3.9Å; F146-F150 HydrophobicContact CZ-CE2 3.9Å; F146-F150 VanDerWaalsContact O-CD2 3.31Å; F146-F150 WeakPolarHBondContact O-CD2 3.38Å; F146-F150 PolarHBondContact O-N 2.89Å; L147-F150 PolarHBondContact O-N 2.7Å; L148-F150 PolarHBondContact O-N 3.16Å; F150-P152 VanDerWaalsContact C-N 3.28Å; F150-L153 HydrophobicContact CB-CD1 4.11Å; F150-L153 HydrophobicContact CD1-CD1 3.66Å; F150-L153 HydrophobicContact CD1-CG 4.44Å; F150-L153 HydrophobicContact CG-CD1 4.31Å; F150-L153 VanDerWaalsContact O-CB 3.25Å; F150-L153 WeakPolarHBondContact O-CB 3.21Å; F150-L153 WeakPolarHBondContact O-CG 3.37Å; F150-L153 PolarHBondContact O-N 2.8Å; F150-W177 HydrophobicContact CD1-CH2 4.42Å; F150-W177 HydrophobicContact CD1-CZ2 4.28Å; F150-A181 HydrophobicContact CE1-CB 4.38Å; F150-A181 HydrophobicContact CZ-CB 4.23Å; F150-S185 WeakPolarHBondContact CE2-OG 3.36Å |
| 151 | L | 86.6 | Confident | 86.1 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -54.3 | -34.5 | 177.7 | -168.9 | 61.1 | 0 | 0 | 0 | 114.2 | L20 V25 L147 L148 L153 V154 | L20-L151 HydrophobicContact CD1-CD1 4.37Å; L20-L151 HydrophobicContact CD1-CG 4.38Å; V25-L151 HydrophobicContact CG1-CD2 4.09Å; V25-L151 HydrophobicContact CG1-CG 4.49Å; V25-L151 HydrophobicContact CG2-CD2 4.41Å; L147-L151 PolarHBondContact O-N 3.37Å; L148-L151 HydrophobicContact CD2-CD2 4.05Å; L148-L151 VanDerWaalsContact O-CB 3.29Å; L148-L151 WeakPolarHBondContact O-CB 3.48Å; L148-L151 PolarHBondContact O-N 3.35Å; L151-L153 PolarHBondContact O-N 3.22Å; L151-L153 VanDerWaalsContact O-N 3.08Å; L151-V154 HydrophobicContact CD1-CG2 4.21Å; L151-V154 WeakPolarHBondContact O-CB 3.09Å; L151-V154 PolarHBondContact O-N 3.33Å; L151-V154 VanDerWaalsContact O-N 3.1Å |
| 152 | P | 85.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -55.5 | -22.9 | 173.3 | -30.1 | 38.9 | 0 | 0 | 0 | 115.2 | A149 F150 V154 S155 W161 W162 W163 | A149-P152 WeakPolarHBondContact O-CD 3.37Å; F150-P152 VanDerWaalsContact C-N 3.28Å; P152-V154 PolarHBondContact O-N 3.46Å; P152-S155 PolarHBondContact O-N 2.92Å; P152-W161 HydrophobicContact CB-CD2 4.37Å; P152-W161 HydrophobicContact CB-CE3 3.75Å; P152-W161 HydrophobicContact CB-CH2 4.05Å; P152-W161 HydrophobicContact CB-CZ3 3.58Å; P152-W161 HydrophobicContact CG-CE3 4.24Å; P152-W161 HydrophobicContact CG-CH2 3.87Å; P152-W161 HydrophobicContact CG-CZ3 3.55Å; P152-W162 HydrophobicContact CB-CZ2 4.29Å; P152-W163 HydrophobicContact CB-CZ2 4.5Å; P152-W163 PolarHBondContact O-NE1 2.96Å |
| 153 | L | 83.9 | Confident | 85.1 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -63.1 | -27.9 | 176.9 | -71.3 | 174.2 | 0 | 0 | 0 | 113.1 | F150 L151 S155 I156 W163 W177 | F150-L153 HydrophobicContact CB-CD1 4.11Å; F150-L153 HydrophobicContact CD1-CD1 3.66Å; F150-L153 HydrophobicContact CD1-CG 4.44Å; F150-L153 HydrophobicContact CG-CD1 4.31Å; F150-L153 VanDerWaalsContact O-CB 3.25Å; F150-L153 WeakPolarHBondContact O-CB 3.21Å; F150-L153 WeakPolarHBondContact O-CG 3.37Å; F150-L153 PolarHBondContact O-N 2.8Å; L151-L153 PolarHBondContact O-N 3.22Å; L151-L153 VanDerWaalsContact O-N 3.08Å; L153-S155 PolarHBondContact O-N 2.86Å; L153-I156 PolarHBondContact O-N 3.37Å; L153-W163 HydrophobicContact CD2-CH2 3.4Å; L153-W163 HydrophobicContact CD2-CZ2 3.78Å; L153-W163 HydrophobicContact CD2-CZ3 4.32Å; L153-W163 HydrophobicContact CG-CH2 4.4Å; L153-W163 HydrophobicContact CG-CZ2 4.44Å; L153-W177 HydrophobicContact CD2-CH2 4.2Å; L153-W177 HydrophobicContact CG-CH2 4.33Å |
| 154 | V | 80.1 | Confident | 84.4 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.7 | -25.3 | 175 | 179 | 0 | 0 | 0 | 0 | 110.9 | W15 L20 L151 P152 | W15-V154 HydrophobicContact CZ3-CG1 4.43Å; L20-V154 HydrophobicContact CD1-CB 4.4Å; L20-V154 HydrophobicContact CD1-CG1 4.28Å; L151-V154 HydrophobicContact CD1-CG2 4.21Å; L151-V154 WeakPolarHBondContact O-CB 3.09Å; L151-V154 PolarHBondContact O-N 3.33Å; L151-V154 VanDerWaalsContact O-N 3.1Å; P152-V154 PolarHBondContact O-N 3.46Å |
| 155 | S | 82.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -103 | 28.7 | -177 | -49.5 | 0 | 0 | 0 | 0 | 112.6 | L20 P152 L153 S157 S158 W161 W163 | L20-S155 WeakPolarHBondContact CB-OG 3.41Å; L20-S155 PolarHBondContact N-OG 3.25Å; P152-S155 PolarHBondContact O-N 2.92Å; L153-S155 PolarHBondContact O-N 2.86Å; S155-S157 PolarHBondContact O-N 3.44Å; S155-S157 VanDerWaalsContact O-N 3.12Å; S155-S158 WeakPolarHBondContact O-CB 3.4Å; S155-S158 PolarHBondContact O-N 3.24Å; S155-W161 VanDerWaalsContact CB-CD1 3.49Å; S155-W161 VanDerWaalsContact CB-NE1 3.27Å; S155-W163 PolarHBondContact O-NE1 3.16Å |
| 156 | I | 82 | Confident | 83.1 | Confident | 108 Ų | 108 | 53.9 Ų | 53.9 | 55% | 0.554 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29 | -177 | -163.2 | 165.5 | 0 | 0 | 0 | 113.8 | L153 W163 | L153-I156 PolarHBondContact O-N 3.37Å; I156-W163 VanDerWaalsContact CA-CD1 3.43Å; I156-W163 HydrophobicContact CG1-CD2 4.02Å; I156-W163 HydrophobicContact CG1-CE3 4.23Å; I156-W163 HydrophobicContact CG1-CG 4.22Å; I156-W163 WeakPolarHBondContact O-CB 3.35Å |
| 157 | S | 75.6 | Confident | 82.4 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 60% | 0.601 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.4 | 178.4 | -170.8 | 0 | 0 | 0 | 0 | 113.7 | S155 | S155-S157 PolarHBondContact O-N 3.44Å; S155-S157 VanDerWaalsContact O-N 3.12Å |
| 158 | S | 78.8 | Confident | 82 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | trans | -83.2 | 135.1 | -175.8 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | N17 S155 D160 | N17-S158 WeakPolarHBondContact O-CA 3.4Å; N17-S158 WeakPolarHBondContact O-CB 3.45Å; N17-S158 PolarHBondContact O-OG 3.37Å; S155-S158 WeakPolarHBondContact O-CB 3.4Å; S155-S158 PolarHBondContact O-N 3.24Å; S158-D160 PolarHBondContact O-N 2.61Å; S158-D160 WeakPolarHBondContact OG-CB 3.32Å; S158-D160 PolarHBondContact OG-N 3.21Å; S158-D160 VanDerWaalsContact OG-N 3.15Å | ||
| 159 | S | 75.3 | Confident | 81.6 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 57% | 0.566 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17.1 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 113 | W161 | S159-W161 PolarHBondContact O-N 3.21Š|
| 160 | D | 77.1 | Confident | 81.3 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.7 | -177.3 | -59.9 | -21 | 0 | 0 | 0 | 111.2 | N17 R22 S158 | N17-D160 PolarHBondContact ND2-OD1 3.44Å; N17-D160 PolarHBondContact ND2-OD2 3.33Å; R22-D160 PolarHBondContact NE-O 3.16Å; R22-D160 PolarHBondContact NH2-O 2.86Å; S158-D160 PolarHBondContact O-N 2.61Å; S158-D160 WeakPolarHBondContact OG-CB 3.32Å; S158-D160 PolarHBondContact OG-N 3.21Å; S158-D160 VanDerWaalsContact OG-N 3.15Å |
| 161 | W | 85.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -97.6 | 162.1 | 178.6 | -62.4 | 82.6 | 0 | 0 | 0 | 111.1 | L20 R22 V25 P152 S155 S159 W163 | L20-W161 PolarHBondContact O-NE1 3.46Å; R22-W161 HydrophobicContact CG-CH2 4.45Å; R22-W161 HydrophobicContact CG-CZ2 4.34Å; V25-W161 HydrophobicContact CB-CH2 4Å; V25-W161 HydrophobicContact CB-CZ2 4.16Å; V25-W161 HydrophobicContact CG1-CH2 3.91Å; V25-W161 HydrophobicContact CG1-CZ2 4.45Å; V25-W161 HydrophobicContact CG2-CH2 4.16Å; V25-W161 HydrophobicContact CG2-CZ2 3.86Å; P152-W161 HydrophobicContact CB-CD2 4.37Å; P152-W161 HydrophobicContact CB-CE3 3.75Å; P152-W161 HydrophobicContact CB-CH2 4.05Å; P152-W161 HydrophobicContact CB-CZ3 3.58Å; P152-W161 HydrophobicContact CG-CE3 4.24Å; P152-W161 HydrophobicContact CG-CH2 3.87Å; P152-W161 HydrophobicContact CG-CZ3 3.55Å; S155-W161 VanDerWaalsContact CB-CD1 3.49Å; S155-W161 VanDerWaalsContact CB-NE1 3.27Å; S159-W161 PolarHBondContact O-N 3.21Å; W161-W163 VanDerWaalsContact CB-CD1 3.4Å; W161-W163 HydrophobicContact CB-CG 4.31Å; W161-W163 PolarHBondContact O-N 3.3Å |
| 162 | W | 83.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 10.6 | 179.5 | 52.9 | 73.3 | 0 | 0 | 0 | 115.2 | Q83 P152 N164 L165 N170 E173 F174 W177 | Q83-W162 VanDerWaalsContact NE2-CH2 3.28Å; P152-W162 HydrophobicContact CB-CZ2 4.29Å; W162-N164 VanDerWaalsContact C-N 3.32Å; W162-N164 PolarHBondContact O-N 2.65Å; W162-L165 WeakPolarHBondContact O-CD2 3.28Å; W162-N170 HydrophobicContact CB-CB 3.99Å; W162-N170 WeakPolarHBondContact CB-O 3.31Å; W162-E173 HydrophobicContact CB-CB 4.01Å; W162-E173 HydrophobicContact CD2-CB 4.24Å; W162-E173 HydrophobicContact CE3-CB 4.03Å; W162-E173 HydrophobicContact CG-CB 4.25Å; W162-F174 HydrophobicContact CB-CB 4.33Å; W162-F174 VanDerWaalsContact CD1-CB 3.45Å; W162-F174 AromaticContact CD1-CD2 3.48Å; W162-F174 VanDerWaalsContact CD1-CD2 3.48Å; W162-F174 AromaticContact CD1-CG 3.93Å; W162-F174 HydrophobicContact CG-CB 3.99Å; W162-F174 AromaticContact NE1-CD2 3.6Å; W162-W177 AromaticContact CE2-CG 3.96Å; W162-W177 HydrophobicContact CH2-CB 4.12Å; W162-W177 AromaticContact CH2-CD1 3.93Å; W162-W177 AromaticContact CH2-CG 3.99Å; W162-W177 HydrophobicContact CH2-CG 3.99Å; W162-W177 HydrophobicContact CZ2-CB 3.55Å; W162-W177 AromaticContact CZ2-CD1 3.53Å; W162-W177 AromaticContact CZ2-CD2 3.71Å; W162-W177 HydrophobicContact CZ2-CD2 3.71Å; W162-W177 HydrophobicContact CZ2-CE3 4.4Å; W162-W177 AromaticContact CZ2-CG 3.26Å; W162-W177 HydrophobicContact CZ2-CG 3.26Å; W162-W177 AromaticContact NE1-CE3 3.97Å |
| 163 | W | 81.1 | Confident | 81.2 | Confident | 51 Ų | 51 | 58.5 Ų | 58.5 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -35.9 | -176.9 | -65.8 | 119.7 | 0 | 0 | 0 | 113.1 | P152 L153 S155 I156 W161 L165 F174 W177 | P152-W163 HydrophobicContact CB-CZ2 4.5Å; P152-W163 PolarHBondContact O-NE1 2.96Å; L153-W163 HydrophobicContact CD2-CH2 3.4Å; L153-W163 HydrophobicContact CD2-CZ2 3.78Å; L153-W163 HydrophobicContact CD2-CZ3 4.32Å; L153-W163 HydrophobicContact CG-CH2 4.4Å; L153-W163 HydrophobicContact CG-CZ2 4.44Å; S155-W163 PolarHBondContact O-NE1 3.16Å; I156-W163 VanDerWaalsContact CA-CD1 3.43Å; I156-W163 HydrophobicContact CG1-CD2 4.02Å; I156-W163 HydrophobicContact CG1-CE3 4.23Å; I156-W163 HydrophobicContact CG1-CG 4.22Å; I156-W163 WeakPolarHBondContact O-CB 3.35Å; W161-W163 VanDerWaalsContact CB-CD1 3.4Å; W161-W163 HydrophobicContact CB-CG 4.31Å; W161-W163 PolarHBondContact O-N 3.3Å; W163-L165 VanDerWaalsContact C-N 3.29Å; W163-L165 PolarHBondContact O-N 3.22Å; W163-F174 HydrophobicContact CZ3-CD2 4.38Å; W163-F174 AromaticContact CZ3-CE2 3.89Å; W163-F174 HydrophobicContact CZ3-CE2 3.89Å; W163-W177 AromaticContact CH2-CH2 3.84Å; W163-W177 HydrophobicContact CH2-CH2 3.84Å; W163-W177 AromaticContact CH2-CZ3 3.83Å; W163-W177 HydrophobicContact CH2-CZ3 3.83Å; W163-W177 HydrophobicContact CZ2-CH2 4.44Å; W163-W177 HydrophobicContact CZ3-CZ3 4.49Å |
| 164 | N | 75.1 | Confident | 81.5 | Confident | 108 Ų | 108 | 57.4 Ų | 57.4 | 58% | 0.578 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -78.2 | 86.7 | 171.3 | -156 | 5.8 | 0 | 0 | 0 | 107.1 | W162 S166 N170 | W162-N164 VanDerWaalsContact C-N 3.32Å; W162-N164 PolarHBondContact O-N 2.65Å; N164-S166 PolarHBondContact O-N 3.5Å; N164-S166 PolarHBondContact O-OG 2.84Å; N164-N170 PolarHBondContact O-ND2 3.25Å |
| 165 | L | 79.8 | Confident | 81.9 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 33.7 | -178.3 | -62.9 | 170.3 | 0 | 0 | 0 | 113.3 | W162 W163 V171 F174 | W162-L165 WeakPolarHBondContact O-CD2 3.28Å; W163-L165 VanDerWaalsContact C-N 3.29Å; W163-L165 PolarHBondContact O-N 3.22Å; L165-V171 HydrophobicContact CB-CG2 4.28Å; L165-V171 HydrophobicContact CD2-CG2 4.26Å; L165-F174 HydrophobicContact CD2-CB 3.89Å; L165-F174 HydrophobicContact CD2-CD1 4.07Å; L165-F174 HydrophobicContact CD2-CG 3.97Å |
| 166 | S | 76.6 | Confident | 82.2 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -32.4 | -176.2 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | N164 | N164-S166 PolarHBondContact O-N 3.5Å; N164-S166 PolarHBondContact O-OG 2.84Å |
| 167 | S | 78 | Confident | 82.7 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -103.4 | 146.6 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | A169 N170 V171 | S167-A169 PolarHBondContact O-N 3.13Å; S167-A169 PolarHBondContact OG-N 3.17Å; S167-N170 WeakPolarHBondContact O-CB 3.42Å; S167-N170 PolarHBondContact O-N 3.19Å; S167-V171 PolarHBondContact O-N 3.01Å; S167-V171 VanDerWaalsContact O-N 3.16Å |
| 168 | Y | 82.7 | Confident | 83.4 | Confident | 209 Ų | 209 | 55.8 Ų | 55.8 | 82% | 0.82 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -54.1 | -35.5 | 170.8 | -75.7 | -80.6 | 0 | 0 | 0 | 111.9 | N170 V171 V172 | Y168-N170 PolarHBondContact O-N 3.35Å; Y168-V171 PolarHBondContact O-N 3.34Å; Y168-V172 WeakPolarHBondContact O-CG2 3.44Å; Y168-V172 PolarHBondContact O-N 3.26Å; Y168-V172 VanDerWaalsContact O-N 3.09Å |
| 169 | A | 82.3 | Confident | 84 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M90 S167 V171 V172 E173 | M90-A169 HydrophobicContact CB-CB 3.74Å; M90-A169 HydrophobicContact CG-CB 4.44Å; M90-A169 VanDerWaalsContact SD-CA 3.53Å; M90-A169 HydrophobicContact SD-CB 3.87Å; S167-A169 PolarHBondContact O-N 3.13Å; S167-A169 PolarHBondContact OG-N 3.17Å; A169-V171 PolarHBondContact O-N 3.2Å; A169-V172 PolarHBondContact O-N 2.92Å; A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 WeakPolarHBondContact O-CG 3.43Å; A169-E173 PolarHBondContact O-N 3.09Å |
| 170 | N | 84.6 | Confident | 84.9 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 179.1 | -67.4 | -15 | 0 | 0 | 0 | 111.5 | W162 N164 S167 Y168 V172 F174 | W162-N170 HydrophobicContact CB-CB 3.99Å; W162-N170 WeakPolarHBondContact CB-O 3.31Å; N164-N170 PolarHBondContact O-ND2 3.25Å; S167-N170 WeakPolarHBondContact O-CB 3.42Å; S167-N170 PolarHBondContact O-N 3.19Å; Y168-N170 PolarHBondContact O-N 3.35Å; N170-V172 PolarHBondContact O-N 2.76Å; N170-F174 WeakPolarHBondContact O-CB 3.42Å; N170-F174 PolarHBondContact O-N 3.04Å |
| 171 | V | 86.4 | Confident | 85.5 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 38% | 0.376 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L165 S167 Y168 A169 T175 | L165-V171 HydrophobicContact CB-CG2 4.28Å; L165-V171 HydrophobicContact CD2-CG2 4.26Å; S167-V171 PolarHBondContact O-N 3.01Å; S167-V171 VanDerWaalsContact O-N 3.16Å; Y168-V171 PolarHBondContact O-N 3.34Å; A169-V171 PolarHBondContact O-N 3.2Å; V171-T175 WeakPolarHBondContact O-CB 3.1Å; V171-T175 PolarHBondContact O-N 2.85Å; V171-T175 PolarHBondContact O-OG1 3.45Å |
| 172 | V | 87.8 | Confident | 85.9 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.4 | -46 | 179.6 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | V86 M90 Y168 A169 N170 F174 T175 F176 | V86-V172 HydrophobicContact CG1-CB 4.38Å; V86-V172 HydrophobicContact CG1-CG1 3.79Å; V86-V172 HydrophobicContact CG2-CG1 4.38Å; M90-V172 HydrophobicContact CE-CB 4.28Å; M90-V172 HydrophobicContact CE-CG1 4.15Å; M90-V172 HydrophobicContact CE-CG2 4.18Å; M90-V172 HydrophobicContact SD-CB 4.35Å; Y168-V172 WeakPolarHBondContact O-CG2 3.44Å; Y168-V172 PolarHBondContact O-N 3.26Å; Y168-V172 VanDerWaalsContact O-N 3.09Å; A169-V172 PolarHBondContact O-N 2.92Å; N170-V172 PolarHBondContact O-N 2.76Å; V172-F174 PolarHBondContact O-N 2.91Å; V172-T175 WeakPolarHBondContact O-CB 3.37Å; V172-T175 PolarHBondContact O-N 2.86Å; V172-T175 VanDerWaalsContact O-N 3.14Å; V172-F176 HydrophobicContact CG1-CD2 3.78Å; V172-F176 HydrophobicContact CG1-CE2 3.68Å; V172-F176 WeakPolarHBondContact O-CD2 3.43Å; V172-F176 PolarHBondContact O-N 3.21Å |
| 173 | E | 86.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 174.7 | -78.2 | -179.7 | -142.9 | 0 | 0 | 112.3 | R22 V86 F87 N91 W162 A169 T175 F176 W177 | R22-E173 IonicContact CZ-OE2 3.2Å; R22-E173 IonicContact NH1-OE2 2.93Å; R22-E173 PolarHBondContact NH1-OE2 2.93Å; R22-E173 IonicContact NH2-OE2 3.96Å; R22-E173 PolarHBondContact NH2-OE2 3.49Å; V86-E173 HydrophobicContact CG1-CG 3.97Å; F87-E173 WeakPolarHBondContact CD2-OE1 3.26Å; N91-E173 PolarHBondContact ND2-OE1 3.15Å; W162-E173 HydrophobicContact CB-CB 4.01Å; W162-E173 HydrophobicContact CD2-CB 4.24Å; W162-E173 HydrophobicContact CE3-CB 4.03Å; W162-E173 HydrophobicContact CG-CB 4.25Å; A169-E173 WeakPolarHBondContact O-CB 3.44Å; A169-E173 WeakPolarHBondContact O-CG 3.43Å; A169-E173 PolarHBondContact O-N 3.09Å; E173-T175 VanDerWaalsContact C-N 3.28Å; E173-T175 PolarHBondContact O-N 3.21Å; E173-F176 PolarHBondContact O-N 2.98Å; E173-W177 WeakPolarHBondContact O-CB 3.27Å; E173-W177 PolarHBondContact O-N 2.55Å |
| 174 | F | 89.1 | Confident | 87 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -42 | 175.2 | 176.6 | -109 | 0 | 0 | 0 | 111.7 | W162 W163 L165 N170 V172 W177 M178 | W162-F174 HydrophobicContact CB-CB 4.33Å; W162-F174 VanDerWaalsContact CD1-CB 3.45Å; W162-F174 AromaticContact CD1-CD2 3.48Å; W162-F174 VanDerWaalsContact CD1-CD2 3.48Å; W162-F174 AromaticContact CD1-CG 3.93Å; W162-F174 HydrophobicContact CG-CB 3.99Å; W162-F174 AromaticContact NE1-CD2 3.6Å; W163-F174 HydrophobicContact CZ3-CD2 4.38Å; W163-F174 AromaticContact CZ3-CE2 3.89Å; W163-F174 HydrophobicContact CZ3-CE2 3.89Å; L165-F174 HydrophobicContact CD2-CB 3.89Å; L165-F174 HydrophobicContact CD2-CD1 4.07Å; L165-F174 HydrophobicContact CD2-CG 3.97Å; N170-F174 WeakPolarHBondContact O-CB 3.42Å; N170-F174 PolarHBondContact O-N 3.04Å; V172-F174 PolarHBondContact O-N 2.91Å; F174-W177 HydrophobicContact CD2-CE3 4.06Å; F174-W177 HydrophobicContact CD2-CZ3 4.38Å; F174-W177 HydrophobicContact CE2-CE3 4.06Å; F174-W177 AromaticContact CE2-CZ3 3.94Å; F174-W177 HydrophobicContact CE2-CZ3 3.94Å; F174-W177 PolarHBondContact O-N 3.34Å; F174-M178 HydrophobicContact CD1-CG 4.31Å; F174-M178 HydrophobicContact CD2-CG 4.28Å; F174-M178 HydrophobicContact CE1-CG 3.89Å; F174-M178 HydrophobicContact CE2-CG 3.87Å; F174-M178 HydrophobicContact CE2-SD 4.17Å; F174-M178 HydrophobicContact CZ-CG 3.65Å; F174-M178 HydrophobicContact CZ-SD 3.98Å; F174-M178 WeakPolarHBondContact O-CB 3.48Å; F174-M178 VanDerWaalsContact O-CG 3.32Å; F174-M178 WeakPolarHBondContact O-CG 3.46Å; F174-M178 PolarHBondContact O-N 3.27Å |
| 175 | T | 88.5 | Confident | 87.7 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | V171 V172 E173 M178 L179 | V171-T175 WeakPolarHBondContact O-CB 3.1Å; V171-T175 PolarHBondContact O-N 2.85Å; V171-T175 PolarHBondContact O-OG1 3.45Å; V172-T175 WeakPolarHBondContact O-CB 3.37Å; V172-T175 PolarHBondContact O-N 2.86Å; V172-T175 VanDerWaalsContact O-N 3.14Å; E173-T175 VanDerWaalsContact C-N 3.28Å; E173-T175 PolarHBondContact O-N 3.21Å; T175-M178 PolarHBondContact O-N 3.48Å; T175-L179 PolarHBondContact O-N 3.05Å |
| 176 | F | 90.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 25% | 0.254 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.2 | -84.2 | -76.6 | 0 | 0 | 0 | 112.3 | Q83 V86 V172 E173 L179 Y180 | Q83-F176 HydrophobicContact CB-CB 4.12Å; Q83-F176 HydrophobicContact CG-CB 4.25Å; V86-F176 HydrophobicContact CG2-CD2 4.08Å; V86-F176 HydrophobicContact CG2-CE2 3.8Å; V86-F176 HydrophobicContact CG2-CZ 4.46Å; V172-F176 HydrophobicContact CG1-CD2 3.78Å; V172-F176 HydrophobicContact CG1-CE2 3.68Å; V172-F176 WeakPolarHBondContact O-CD2 3.43Å; V172-F176 PolarHBondContact O-N 3.21Å; E173-F176 PolarHBondContact O-N 2.98Å; F176-L179 PolarHBondContact O-N 3.29Å; F176-Y180 WeakPolarHBondContact O-CB 3.44Å; F176-Y180 PolarHBondContact O-N 3.27Å |
| 177 | W | 92.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.5 | 174.7 | 74 | 0 | 0 | 0 | 112 | A149 F150 L153 W162 W163 E173 F174 L179 Y180 A181 | A149-W177 PolarHBondContact O-NE1 3.1Å; F150-W177 HydrophobicContact CD1-CH2 4.42Å; F150-W177 HydrophobicContact CD1-CZ2 4.28Å; L153-W177 HydrophobicContact CD2-CH2 4.2Å; L153-W177 HydrophobicContact CG-CH2 4.33Å; W162-W177 AromaticContact CE2-CG 3.96Å; W162-W177 HydrophobicContact CH2-CB 4.12Å; W162-W177 AromaticContact CH2-CD1 3.93Å; W162-W177 AromaticContact CH2-CG 3.99Å; W162-W177 HydrophobicContact CH2-CG 3.99Å; W162-W177 HydrophobicContact CZ2-CB 3.55Å; W162-W177 AromaticContact CZ2-CD1 3.53Å; W162-W177 AromaticContact CZ2-CD2 3.71Å; W162-W177 HydrophobicContact CZ2-CD2 3.71Å; W162-W177 HydrophobicContact CZ2-CE3 4.4Å; W162-W177 AromaticContact CZ2-CG 3.26Å; W162-W177 HydrophobicContact CZ2-CG 3.26Å; W162-W177 AromaticContact NE1-CE3 3.97Å; W163-W177 AromaticContact CH2-CH2 3.84Å; W163-W177 HydrophobicContact CH2-CH2 3.84Å; W163-W177 AromaticContact CH2-CZ3 3.83Å; W163-W177 HydrophobicContact CH2-CZ3 3.83Å; W163-W177 HydrophobicContact CZ2-CH2 4.44Å; W163-W177 HydrophobicContact CZ3-CZ3 4.49Å; E173-W177 WeakPolarHBondContact O-CB 3.27Å; E173-W177 PolarHBondContact O-N 2.55Å; F174-W177 HydrophobicContact CD2-CE3 4.06Å; F174-W177 HydrophobicContact CD2-CZ3 4.38Å; F174-W177 HydrophobicContact CE2-CE3 4.06Å; F174-W177 AromaticContact CE2-CZ3 3.94Å; F174-W177 HydrophobicContact CE2-CZ3 3.94Å; F174-W177 PolarHBondContact O-N 3.34Å; W177-L179 VanDerWaalsContact C-N 3.33Å; W177-L179 PolarHBondContact O-N 3.2Å; W177-Y180 PolarHBondContact O-N 2.93Å; W177-A181 VanDerWaalsContact O-CB 3.29Å; W177-A181 WeakPolarHBondContact O-CB 3.49Å; W177-A181 PolarHBondContact O-N 3.45Å |
| 178 | M | 88.9 | Confident | 89.7 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.8 | -80.1 | -65.9 | -66.6 | 0 | 0 | 111.7 | F174 T175 A181 F182 | F174-M178 HydrophobicContact CD1-CG 4.31Å; F174-M178 HydrophobicContact CD2-CG 4.28Å; F174-M178 HydrophobicContact CE1-CG 3.89Å; F174-M178 HydrophobicContact CE2-CG 3.87Å; F174-M178 HydrophobicContact CE2-SD 4.17Å; F174-M178 HydrophobicContact CZ-CG 3.65Å; F174-M178 HydrophobicContact CZ-SD 3.98Å; F174-M178 WeakPolarHBondContact O-CB 3.48Å; F174-M178 VanDerWaalsContact O-CG 3.32Å; F174-M178 WeakPolarHBondContact O-CG 3.46Å; F174-M178 PolarHBondContact O-N 3.27Å; T175-M178 PolarHBondContact O-N 3.48Å; M178-A181 PolarHBondContact O-N 2.79Å; M178-F182 VanDerWaalsContact O-CB 3.24Å; M178-F182 WeakPolarHBondContact O-CB 3.38Å; M178-F182 PolarHBondContact O-N 3.34Å |
| 179 | L | 92.8 | Very high | 90 | Very high | 81 Ų | 81 | 43.2 Ų | 43.2 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.6 | -175.9 | 60.5 | 0 | 0 | 0 | 111.6 | L79 T175 F176 W177 F182 C183 | L79-L179 HydrophobicContact CD1-CG 4.14Å; L79-L179 HydrophobicContact CD2-CD2 3.53Å; L79-L179 HydrophobicContact CD2-CG 3.95Å; T175-L179 PolarHBondContact O-N 3.05Å; F176-L179 PolarHBondContact O-N 3.29Å; W177-L179 VanDerWaalsContact C-N 3.33Å; W177-L179 PolarHBondContact O-N 3.2Å; L179-F182 PolarHBondContact O-N 3.15Å; L179-C183 PolarHBondContact O-N 3.14Å; L179-C183 PolarHBondContact O-SG 3.15Å; L179-C183 VanDerWaalsContact O-SG 3.36Å |
| 180 | Y | 92.8 | Very high | 90.2 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 174 | 167.8 | -95.9 | 0 | 0 | 0 | 111.7 | I76 L79 M107 A149 F176 W177 F182 C183 V184 | I76-Y180 HydrophobicContact CG2-CD2 3.96Å; I76-Y180 HydrophobicContact CG2-CE2 3.53Å; L79-Y180 HydrophobicContact CB-CD2 4.49Å; M107-Y180 HydrophobicContact CE-CE2 3.66Å; M107-Y180 WeakPolarHBondContact CE-OH 3.48Å; A149-Y180 HydrophobicContact CB-CD1 4.4Å; A149-Y180 HydrophobicContact CB-CE1 3.71Å; F176-Y180 WeakPolarHBondContact O-CB 3.44Å; F176-Y180 PolarHBondContact O-N 3.27Å; W177-Y180 PolarHBondContact O-N 2.93Å; Y180-F182 VanDerWaalsContact C-N 3.31Å; Y180-F182 PolarHBondContact O-N 3.08Å; Y180-C183 PolarHBondContact O-N 3.28Å; Y180-V184 HydrophobicContact CD1-CG2 4.5Å; Y180-V184 HydrophobicContact CD2-CG2 4.27Å; Y180-V184 HydrophobicContact CE1-CG2 4.12Å; Y180-V184 HydrophobicContact CE2-CG2 3.88Å; Y180-V184 WeakPolarHBondContact O-CG2 3.44Å; Y180-V184 PolarHBondContact O-N 3.43Å |
| 181 | A | 91.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F150 W177 M178 S185 | F150-A181 HydrophobicContact CE1-CB 4.38Å; F150-A181 HydrophobicContact CZ-CB 4.23Å; W177-A181 VanDerWaalsContact O-CB 3.29Å; W177-A181 WeakPolarHBondContact O-CB 3.49Å; W177-A181 PolarHBondContact O-N 3.45Å; M178-A181 PolarHBondContact O-N 2.79Å; A181-S185 VanDerWaalsContact O-CB 3.24Å; A181-S185 WeakPolarHBondContact O-CB 3.5Å; A181-S185 PolarHBondContact O-N 3Å; A181-S185 PolarHBondContact O-OG 2.89Å |
| 182 | F | 92.5 | Very high | 89.9 | Confident | 133 Ų | 133 | 44.2 Ų | 44.2 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.3 | -48.5 | 173.9 | 179.9 | -96.4 | 0 | 0 | 0 | 111.7 | M178 L179 Y180 V184 S185 F186 | M178-F182 VanDerWaalsContact O-CB 3.24Å; M178-F182 WeakPolarHBondContact O-CB 3.38Å; M178-F182 PolarHBondContact O-N 3.34Å; L179-F182 PolarHBondContact O-N 3.15Å; Y180-F182 VanDerWaalsContact C-N 3.31Å; Y180-F182 PolarHBondContact O-N 3.08Å; F182-V184 PolarHBondContact O-N 3.35Å; F182-S185 PolarHBondContact O-N 3.12Å; F182-F186 HydrophobicContact CZ-CD2 4.41Å; F182-F186 WeakPolarHBondContact O-CB 3.25Å; F182-F186 PolarHBondContact O-N 3.35Å |
| 183 | C | 93.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.6 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | L72 I76 L79 L179 Y180 F186 V187 | L72-C183 HydrophobicContact CD2-CB 4.4Å; I76-C183 HydrophobicContact CD1-CB 4.22Å; I76-C183 HydrophobicContact CG1-CB 3.84Å; L79-C183 HydrophobicContact CD1-CB 4.11Å; L179-C183 PolarHBondContact O-N 3.14Å; L179-C183 PolarHBondContact O-SG 3.15Å; L179-C183 VanDerWaalsContact O-SG 3.36Å; Y180-C183 PolarHBondContact O-N 3.28Å; C183-F186 PolarHBondContact O-N 3.37Å; C183-V187 WeakPolarHBondContact O-CG2 3.29Å; C183-V187 PolarHBondContact O-N 3.18Å |
| 184 | V | 93.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I76 W111 F146 A149 Y180 F182 F186 V187 F188 | I76-V184 HydrophobicContact CD1-CG2 3.92Å; I76-V184 HydrophobicContact CG1-CG2 4.32Å; I76-V184 HydrophobicContact CG2-CG2 4.14Å; W111-V184 HydrophobicContact CH2-CG1 4.43Å; W111-V184 HydrophobicContact CH2-CG2 4.2Å; W111-V184 HydrophobicContact CZ2-CG2 3.98Å; F146-V184 HydrophobicContact CB-CG1 4.4Å; A149-V184 HydrophobicContact CB-CB 4.34Å; A149-V184 HydrophobicContact CB-CG1 4.12Å; Y180-V184 HydrophobicContact CD1-CG2 4.5Å; Y180-V184 HydrophobicContact CD2-CG2 4.27Å; Y180-V184 HydrophobicContact CE1-CG2 4.12Å; Y180-V184 HydrophobicContact CE2-CG2 3.88Å; Y180-V184 WeakPolarHBondContact O-CG2 3.44Å; Y180-V184 PolarHBondContact O-N 3.43Å; F182-V184 PolarHBondContact O-N 3.35Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 2.96Å; V184-V187 PolarHBondContact O-N 3.24Å; V184-F188 WeakPolarHBondContact O-CB 3.28Å; V184-F188 PolarHBondContact O-N 3.39Å |
| 185 | S | 90.9 | Very high | 88 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | F146 F150 A181 F182 F188 I189 | F146-S185 WeakPolarHBondContact CE2-OG 3.39Å; F150-S185 WeakPolarHBondContact CE2-OG 3.36Å; A181-S185 VanDerWaalsContact O-CB 3.24Å; A181-S185 WeakPolarHBondContact O-CB 3.5Å; A181-S185 PolarHBondContact O-N 3Å; A181-S185 PolarHBondContact O-OG 2.89Å; F182-S185 PolarHBondContact O-N 3.12Å; S185-F188 WeakPolarHBondContact O-CB 3.47Å; S185-F188 PolarHBondContact O-N 3.32Å; S185-I189 WeakPolarHBondContact O-CD1 3.27Å; S185-I189 WeakPolarHBondContact O-CG1 2.77Å; S185-I189 PolarHBondContact O-N 3.39Å |
| 186 | F | 92.2 | Very high | 87 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 179.3 | -159.6 | -95.4 | 0 | 0 | 0 | 111.8 | L68 L72 F182 C183 V184 I189 L190 | L68-F186 HydrophobicContact CD2-CE1 3.66Å; L68-F186 HydrophobicContact CD2-CZ 4.26Å; L68-F186 HydrophobicContact CG-CE1 4.3Å; L72-F186 HydrophobicContact CD1-CB 4.38Å; L72-F186 HydrophobicContact CD1-CD1 3.34Å; L72-F186 HydrophobicContact CD1-CE1 4Å; L72-F186 HydrophobicContact CD1-CG 4.24Å; F182-F186 HydrophobicContact CZ-CD2 4.41Å; F182-F186 WeakPolarHBondContact O-CB 3.25Å; F182-F186 PolarHBondContact O-N 3.35Å; C183-F186 PolarHBondContact O-N 3.37Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 2.96Å; F186-I189 PolarHBondContact O-N 3.44Å; F186-L190 HydrophobicContact CD1-CD1 3.68Å; F186-L190 HydrophobicContact CD1-CG 3.98Å; F186-L190 HydrophobicContact CE1-CD1 3.58Å; F186-L190 HydrophobicContact CE1-CD2 4.3Å; F186-L190 HydrophobicContact CE1-CG 3.93Å; F186-L190 WeakPolarHBondContact O-CB 3.41Å; F186-L190 VanDerWaalsContact O-CG 3.3Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 2.87Å |
| 187 | V | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -49.7 | 169.5 | 166 | 0 | 0 | 0 | 0 | 109.9 | H69 L72 I76 W111 W142 C183 V184 I189 L190 G191 | H69-V187 WeakPolarHBondContact NE2-CG1 3.45Å; H69-V187 PolarHBondContact NE2-O 3.08Å; H69-V187 VanDerWaalsContact NE2-O 3.08Å; L72-V187 HydrophobicContact CB-CG2 3.65Å; I76-V187 HydrophobicContact CD1-CG2 3.77Å; W111-V187 HydrophobicContact CH2-CG1 4.21Å; W111-V187 HydrophobicContact CZ3-CG1 3.8Å; W111-V187 HydrophobicContact CZ3-CG2 4.47Å; W142-V187 HydrophobicContact CG-CG1 4.29Å; C183-V187 WeakPolarHBondContact O-CG2 3.29Å; C183-V187 PolarHBondContact O-N 3.18Å; V184-V187 PolarHBondContact O-N 3.24Å; V187-I189 VanDerWaalsContact C-N 3.35Å; V187-I189 PolarHBondContact O-N 3.37Å; V187-L190 CarbonylContact O-C 3.59Å; V187-L190 PolarHBondContact O-N 3.2Å; V187-G191 PolarHBondContact O-N 3.35Å |
| 188 | F | 91.3 | Very high | 84.7 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 15% | 0.149 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 178.9 | 170.3 | -118.1 | 0 | 0 | 0 | 112.7 | W142 T143 F146 V184 S185 G191 I192 | W142-F188 HydrophobicContact CB-CD2 4.12Å; T143-F188 HydrophobicContact CG2-CD2 4.21Å; T143-F188 HydrophobicContact CG2-CE2 3.35Å; T143-F188 HydrophobicContact CG2-CZ 4.04Å; F146-F188 HydrophobicContact CB-CB 4.08Å; F146-F188 HydrophobicContact CB-CD1 4.11Å; F146-F188 HydrophobicContact CB-CD2 4.42Å; F146-F188 HydrophobicContact CB-CG 3.94Å; F146-F188 HydrophobicContact CD1-CD1 4.1Å; F146-F188 HydrophobicContact CD1-CE1 4.04Å; F146-F188 HydrophobicContact CD2-CB 4.38Å; F146-F188 AromaticContact CD2-CD1 3.77Å; F146-F188 HydrophobicContact CD2-CD1 3.77Å; F146-F188 HydrophobicContact CD2-CE1 4.44Å; F146-F188 HydrophobicContact CD2-CG 4.3Å; F146-F188 HydrophobicContact CE1-CE1 4.26Å; F146-F188 HydrophobicContact CE2-CD1 4.16Å; F146-F188 HydrophobicContact CG-CB 4.44Å; F146-F188 AromaticContact CG-CD1 3.72Å; F146-F188 HydrophobicContact CG-CD1 3.72Å; F146-F188 HydrophobicContact CG-CE1 4.14Å; F146-F188 HydrophobicContact CG-CG 4.08Å; V184-F188 WeakPolarHBondContact O-CB 3.28Å; V184-F188 PolarHBondContact O-N 3.39Å; S185-F188 WeakPolarHBondContact O-CB 3.47Å; S185-F188 PolarHBondContact O-N 3.32Å; F188-G191 PolarHBondContact O-N 2.92Å; F188-I192 HydrophobicContact CD2-CD1 4.17Å; F188-I192 HydrophobicContact CD2-CG1 4.4Å; F188-I192 HydrophobicContact CE1-CD1 3.86Å; F188-I192 HydrophobicContact CE2-CD1 3.38Å; F188-I192 HydrophobicContact CE2-CG1 3.91Å; F188-I192 HydrophobicContact CZ-CD1 3.24Å; F188-I192 HydrophobicContact CZ-CG1 4.26Å; F188-I192 PolarHBondContact O-N 2.91Å |
| 189 | I | 88.1 | Confident | 83.5 | Confident | 101 Ų | 101 | 41 Ų | 41 | 52% | 0.518 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 176.2 | -68.5 | 163.4 | 0 | 0 | 0 | 110.9 | S185 F186 V187 G191 I192 W193 | S185-I189 WeakPolarHBondContact O-CD1 3.27Å; S185-I189 WeakPolarHBondContact O-CG1 2.77Å; S185-I189 PolarHBondContact O-N 3.39Å; F186-I189 PolarHBondContact O-N 3.44Å; V187-I189 VanDerWaalsContact C-N 3.35Å; V187-I189 PolarHBondContact O-N 3.37Å; I189-G191 VanDerWaalsContact C-N 3.26Å; I189-G191 PolarHBondContact O-N 2.88Å; I189-I192 PolarHBondContact O-N 3.38Å; I189-W193 VanDerWaalsContact O-CB 3.24Å; I189-W193 WeakPolarHBondContact O-CB 2.81Å; I189-W193 PolarHBondContact O-N 2.88Å |
| 190 | L | 87.6 | Confident | 81.9 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -34 | 176.1 | -72.1 | -176.5 | 0 | 0 | 0 | 112.1 | F65 H69 F186 V187 W193 A194 P195 | F65-L190 HydrophobicContact CB-CD2 4.2Å; F65-L190 HydrophobicContact CD1-CD2 4.09Å; H69-L190 HydrophobicContact CB-CB 4.33Å; H69-L190 HydrophobicContact CB-CD1 3.83Å; F186-L190 HydrophobicContact CD1-CD1 3.68Å; F186-L190 HydrophobicContact CD1-CG 3.98Å; F186-L190 HydrophobicContact CE1-CD1 3.58Å; F186-L190 HydrophobicContact CE1-CD2 4.3Å; F186-L190 HydrophobicContact CE1-CG 3.93Å; F186-L190 WeakPolarHBondContact O-CB 3.41Å; F186-L190 VanDerWaalsContact O-CG 3.3Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 2.87Å; V187-L190 CarbonylContact O-C 3.59Å; V187-L190 PolarHBondContact O-N 3.2Å; L190-W193 HydrophobicContact CD2-CE3 3.75Å; L190-W193 HydrophobicContact CD2-CZ3 4.12Å; L190-W193 PolarHBondContact O-N 3.48Å; L190-A194 PolarHBondContact O-N 3.27Å; L190-P195 WeakPolarHBondContact O-CD 3.36Å |
| 191 | G | 84.9 | Confident | 80 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H134 V187 F188 I189 W193 | H134-G191 PolarHBondContact CD2-O 3.36Å; V187-G191 PolarHBondContact O-N 3.35Å; F188-G191 PolarHBondContact O-N 2.92Å; I189-G191 VanDerWaalsContact C-N 3.26Å; I189-G191 PolarHBondContact O-N 2.88Å; G191-W193 VanDerWaalsContact C-N 3.34Å |
| 192 | I | 78.9 | Confident | 78.6 | Confident | 108 Ų | 108 | 49.7 Ų | 49.7 | 55% | 0.554 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.6 | -40 | 171.7 | -69.5 | 176 | 0 | 0 | 0 | 110.8 | F188 I189 A194 | F188-I192 HydrophobicContact CD2-CD1 4.17Å; F188-I192 HydrophobicContact CD2-CG1 4.4Å; F188-I192 HydrophobicContact CE1-CD1 3.86Å; F188-I192 HydrophobicContact CE2-CD1 3.38Å; F188-I192 HydrophobicContact CE2-CG1 3.91Å; F188-I192 HydrophobicContact CZ-CD1 3.24Å; F188-I192 HydrophobicContact CZ-CG1 4.26Å; F188-I192 PolarHBondContact O-N 2.91Å; I189-I192 PolarHBondContact O-N 3.38Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 2.99Å |
| 193 | W | 76.8 | Confident | 77.1 | Confident | 149 Ų | 149 | 44.2 Ų | 44.2 | 56% | 0.564 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -72.6 | -24.1 | -176.6 | -170.2 | 51.8 | 0 | 0 | 0 | 113.6 | F65 I189 L190 G191 P195 | F65-W193 HydrophobicContact CB-CZ3 3.75Å; F65-W193 AromaticContact CD1-CZ3 3.92Å; F65-W193 HydrophobicContact CD1-CZ3 3.92Å; F65-W193 AromaticContact CD2-CH2 3.63Å; F65-W193 HydrophobicContact CD2-CH2 3.63Å; F65-W193 AromaticContact CD2-CZ3 3.54Å; F65-W193 HydrophobicContact CD2-CZ3 3.54Å; F65-W193 HydrophobicContact CE1-CZ3 4.36Å; F65-W193 AromaticContact CE2-CH2 3.77Å; F65-W193 HydrophobicContact CE2-CH2 3.77Å; F65-W193 HydrophobicContact CE2-CZ3 4.03Å; F65-W193 HydrophobicContact CG-CH2 4.07Å; F65-W193 AromaticContact CG-CZ3 3.48Å; F65-W193 HydrophobicContact CG-CZ3 3.48Å; F65-W193 VanDerWaalsContact CG-CZ3 3.48Å; F65-W193 HydrophobicContact CZ-CH2 4.31Å; F65-W193 HydrophobicContact CZ-CZ3 4.41Å; I189-W193 VanDerWaalsContact O-CB 3.24Å; I189-W193 WeakPolarHBondContact O-CB 2.81Å; I189-W193 PolarHBondContact O-N 2.88Å; L190-W193 HydrophobicContact CD2-CE3 3.75Å; L190-W193 HydrophobicContact CD2-CZ3 4.12Å; L190-W193 PolarHBondContact O-N 3.48Å; G191-W193 VanDerWaalsContact C-N 3.34Å; W193-P195 HydrophobicContact CD2-CB 4.42Å; W193-P195 HydrophobicContact CE3-CB 3.7Å; W193-P195 HydrophobicContact CE3-CG 3.8Å; W193-P195 HydrophobicContact CH2-CB 4.36Å; W193-P195 HydrophobicContact CZ3-CB 3.68Å; W193-P195 HydrophobicContact CZ3-CG 4.08Å |
| 194 | A | 76 | Confident | 75.4 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | trans | 50.3 | 51.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | L190 I192 G196 L197 | L190-A194 PolarHBondContact O-N 3.27Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 2.99Å; A194-G196 PolarHBondContact O-N 3.29Å; A194-G196 VanDerWaalsContact O-N 3.11Å; A194-L197 HydrophobicContact CB-CD1 3.77Å; A194-L197 HydrophobicContact CB-CG 4.46Å; A194-L197 PolarHBondContact O-N 2.96Å | ||
| 195 | P | 71.9 | Confident | 73.8 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.3 | -170.6 | 27.1 | -35.8 | 0 | 0 | 0 | 115.2 | S61 S63 F65 L190 W193 | S61-P195 PolarHBondContact OG-O 2.89Å; S63-P195 VanDerWaalsContact CB-O 3.26Å; S63-P195 WeakPolarHBondContact CB-O 3.45Å; F65-P195 HydrophobicContact CB-CB 3.85Å; F65-P195 HydrophobicContact CB-CG 3.71Å; L190-P195 WeakPolarHBondContact O-CD 3.36Å; W193-P195 HydrophobicContact CD2-CB 4.42Å; W193-P195 HydrophobicContact CE3-CB 3.7Å; W193-P195 HydrophobicContact CE3-CG 3.8Å; W193-P195 HydrophobicContact CH2-CB 4.36Å; W193-P195 HydrophobicContact CZ3-CB 3.68Å; W193-P195 HydrophobicContact CZ3-CG 4.08Å |
| 196 | G | 66.5 | Low | 72.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | S61 A194 P198 | S61-G196 WeakPolarHBondContact CB-O 3.3Å; A194-G196 PolarHBondContact O-N 3.29Å; A194-G196 VanDerWaalsContact O-N 3.11Å; G196-P198 WeakPolarHBondContact O-CD 3.36Å |
| 197 | L | 70.5 | Confident | 70.8 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -88.9 | 125.8 | -176.1 | -70.9 | 173.4 | 0 | 0 | 0 | 110.5 | R132 A194 | R132-L197 HydrophobicContact CG-CB 4.03Å; R132-L197 HydrophobicContact CG-CD1 4.08Å; R132-L197 HydrophobicContact CG-CD2 4.05Å; R132-L197 HydrophobicContact CG-CG 4.26Å; R132-L197 WeakPolarHBondContact O-CD1 3.47Å; A194-L197 HydrophobicContact CB-CD1 3.77Å; A194-L197 HydrophobicContact CB-CG 4.46Å; A194-L197 PolarHBondContact O-N 2.96Å |
| 198 | P | 65.8 | Low | 69.1 | Low | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 151.7 | 173.4 | -13.2 | 5 | 0 | 0 | 0 | 113.8 | I55 L59 R132 G196 Y200 | I55-P198 HydrophobicContact CD1-CG 4.27Å; I55-P198 HydrophobicContact CG2-CG 4.38Å; L59-P198 WeakPolarHBondContact O-CB 3.37Å; L59-P198 WeakPolarHBondContact O-CG 3.47Å; R132-P198 WeakPolarHBondContact CD-O 3.35Å; R132-P198 VanDerWaalsContact CZ-N 3.34Å; R132-P198 PolarHBondContact NE-O 3.21Å; R132-P198 VanDerWaalsContact NH1-CD 3.34Å; R132-P198 PolarHBondContact NH1-O 2.69Å; R132-P198 VanDerWaalsContact NH2-CG 3.31Å; G196-P198 WeakPolarHBondContact O-CD 3.36Å; P198-Y200 PolarHBondContact O-N 3.42Å |
| 199 | S | 62.7 | Low | 67.4 | Low | 56 Ų | 56 | 61.9 Ų | 61.9 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 131.1 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | F201 A202 V203 | S199-F201 PolarHBondContact O-N 2.96Å; S199-F201 PolarHBondContact OG-N 3.36Å; S199-A202 PolarHBondContact O-N 3.22Å; S199-A202 VanDerWaalsContact O-N 3.1Å; S199-V203 PolarHBondContact O-N 3.47Å |
| 200 | Y | 58.6 | Low | 65.5 | Low | 125 Ų | 125 | 62.3 Ų | 62.3 | 49% | 0.49 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.8 | -39.5 | 174.9 | 178.3 | -94.7 | 0 | 0 | 0 | 111.1 | P198 A202 V203 Y204 | P198-Y200 PolarHBondContact O-N 3.42Å; Y200-A202 PolarHBondContact O-N 3.37Å; Y200-V203 CarbonylContact O-C 3.55Å; Y200-V203 PolarHBondContact O-N 3.21Å; Y200-V203 VanDerWaalsContact O-N 3.16Å; Y200-Y204 HydrophobicContact CE1-CD2 4.16Å; Y200-Y204 HydrophobicContact CE1-CG 4.41Å; Y200-Y204 VanDerWaalsContact O-CB 3.3Å; Y200-Y204 WeakPolarHBondContact O-CB 3.28Å; Y200-Y204 PolarHBondContact O-N 3.37Å |
| 201 | F | 54.7 | Low | 63.3 | Low | 136 Ų | 136 | 65.1 Ų | 65.1 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 176.1 | -177 | -95.3 | 0 | 0 | 0 | 111.9 | S199 V203 Y204 E205 | S199-F201 PolarHBondContact O-N 2.96Å; S199-F201 PolarHBondContact OG-N 3.36Å; F201-V203 VanDerWaalsContact C-N 3.27Å; F201-V203 PolarHBondContact O-N 3.04Å; F201-Y204 PolarHBondContact O-N 3.47Å; F201-E205 VanDerWaalsContact CE1-OE2 3.26Å; F201-E205 WeakPolarHBondContact CE1-OE2 3.28Å; F201-E205 VanDerWaalsContact O-CB 3.28Å; F201-E205 WeakPolarHBondContact O-CB 3.45Å; F201-E205 PolarHBondContact O-N 3.01Å |
| 202 | A | 61.6 | Low | 61.2 | Low | 31 Ų | 31 | 72.8 Ų | 72.8 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66 | -30.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L59 S199 Y200 F206 | L59-A202 HydrophobicContact CD2-CB 3.88Å; S199-A202 PolarHBondContact O-N 3.22Å; S199-A202 VanDerWaalsContact O-N 3.1Å; Y200-A202 PolarHBondContact O-N 3.37Å; A202-F206 VanDerWaalsContact O-CB 3.23Å; A202-F206 WeakPolarHBondContact O-CB 3.32Å; A202-F206 PolarHBondContact O-N 3.3Å; A202-F206 VanDerWaalsContact O-N 3.15Å |
| 203 | V | 60.1 | Low | 59.1 | Low | 19 Ų | 19 | 74.9 Ų | 74.9 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75.5 | -43.4 | 172.3 | 179 | 0 | 0 | 0 | 0 | 111.4 | S199 Y200 F201 E205 F206 L207 | S199-V203 PolarHBondContact O-N 3.47Å; Y200-V203 CarbonylContact O-C 3.55Å; Y200-V203 PolarHBondContact O-N 3.21Å; Y200-V203 VanDerWaalsContact O-N 3.16Å; F201-V203 VanDerWaalsContact C-N 3.27Å; F201-V203 PolarHBondContact O-N 3.04Å; V203-E205 VanDerWaalsContact C-N 3.34Å; V203-F206 CarbonylContact O-C 3.55Å; V203-F206 WeakPolarHBondContact O-CB 3.28Å; V203-F206 PolarHBondContact O-N 2.8Å; V203-L207 HydrophobicContact CG1-CD1 3.82Å; V203-L207 HydrophobicContact CG1-CG 4.11Å; V203-L207 WeakPolarHBondContact O-CB 3.37Å; V203-L207 VanDerWaalsContact O-CG 3.25Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.79Å |
| 204 | Y | 58.3 | Low | 57.1 | Low | 97 Ų | 97 | 73 Ų | 73 | 38% | 0.38 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 178.2 | -179.6 | -91.6 | 0 | 0 | 0 | 110.3 | Y200 F201 F206 L207 H208 | Y200-Y204 HydrophobicContact CE1-CD2 4.16Å; Y200-Y204 HydrophobicContact CE1-CG 4.41Å; Y200-Y204 VanDerWaalsContact O-CB 3.3Å; Y200-Y204 WeakPolarHBondContact O-CB 3.28Å; Y200-Y204 PolarHBondContact O-N 3.37Å; F201-Y204 PolarHBondContact O-N 3.47Å; Y204-F206 VanDerWaalsContact C-N 3.35Å; Y204-F206 PolarHBondContact O-N 3.43Å; Y204-L207 PolarHBondContact O-N 3.2Å; Y204-H208 AromaticContact CD1-CD2 3.87Å; Y204-H208 AromaticContact CD2-CD2 3.68Å; Y204-H208 AromaticContact CD2-NE2 3.89Å; Y204-H208 AromaticContact CE1-CD2 3.54Å; Y204-H208 AromaticContact CE1-NE2 3.97Å; Y204-H208 AromaticContact CE2-CD2 3.35Å; Y204-H208 WeakPolarHBondContact CE2-CD2 3.46Å; Y204-H208 AromaticContact CE2-NE2 3.16Å; Y204-H208 WeakPolarHBondContact CE2-NE2 3.37Å; Y204-H208 AromaticContact CG-CD2 3.94Å; Y204-H208 AromaticContact CZ-CD2 3.27Å; Y204-H208 AromaticContact CZ-CE1 3.96Å; Y204-H208 AromaticContact CZ-NE2 3.19Å; Y204-H208 WeakPolarHBondContact O-CB 3.38Å; Y204-H208 PolarHBondContact O-CD2 2.88Å; Y204-H208 PolarHBondContact O-N 3.2Å; Y204-H208 PolarHBondContact OH-NE2 2.84Å |
| 205 | E | 59.2 | Low | 55.5 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.2 | -168.2 | 170.4 | -161.5 | 0 | 0 | 111.5 | F201 V203 S209 | F201-E205 VanDerWaalsContact CE1-OE2 3.26Å; F201-E205 WeakPolarHBondContact CE1-OE2 3.28Å; F201-E205 VanDerWaalsContact O-CB 3.28Å; F201-E205 WeakPolarHBondContact O-CB 3.45Å; F201-E205 PolarHBondContact O-N 3.01Å; V203-E205 VanDerWaalsContact C-N 3.34Å; E205-S209 VanDerWaalsContact O-CB 3.25Å; E205-S209 WeakPolarHBondContact O-CB 3.2Å; E205-S209 PolarHBondContact O-N 3.46Å; E205-S209 PolarHBondContact O-OG 2.75Å |
| 206 | F | 62.5 | Low | 54 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 32% | 0.32 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 174.3 | 175.1 | -97.8 | 0 | 0 | 0 | 113.8 | L59 A202 V203 Y204 S209 | L59-F206 HydrophobicContact CD1-CD2 4.15Å; L59-F206 HydrophobicContact CD1-CG 4.32Å; A202-F206 VanDerWaalsContact O-CB 3.23Å; A202-F206 WeakPolarHBondContact O-CB 3.32Å; A202-F206 PolarHBondContact O-N 3.3Å; A202-F206 VanDerWaalsContact O-N 3.15Å; V203-F206 CarbonylContact O-C 3.55Å; V203-F206 WeakPolarHBondContact O-CB 3.28Å; V203-F206 PolarHBondContact O-N 2.8Å; Y204-F206 VanDerWaalsContact C-N 3.35Å; Y204-F206 PolarHBondContact O-N 3.43Å; F206-S209 PolarHBondContact O-OG 3.3Å |
| 207 | L | 58.7 | Low | 52.6 | Low | 60 Ų | 60 | 89.1 Ų | 89.1 | 31% | 0.314 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.7 | -40.4 | 177.7 | -70.1 | 175.3 | 0 | 0 | 0 | 111.2 | L127 V203 Y204 N210 | L127-L207 HydrophobicContact CD2-CD2 3.34Å; V203-L207 HydrophobicContact CG1-CD1 3.82Å; V203-L207 HydrophobicContact CG1-CG 4.11Å; V203-L207 WeakPolarHBondContact O-CB 3.37Å; V203-L207 VanDerWaalsContact O-CG 3.25Å; V203-L207 WeakPolarHBondContact O-CG 3.44Å; V203-L207 PolarHBondContact O-N 2.79Å; Y204-L207 PolarHBondContact O-N 3.2Å; L207-N210 CarbonylContact O-C 3.58Å; L207-N210 VanDerWaalsContact O-C 3.32Å; L207-N210 PolarHBondContact O-N 2.91Å |
| 208 | H | 56 | Low | 51.3 | Low | 70 Ų | 70 | 89.4 Ų | 89.4 | 32% | 0.324 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77 | -30.6 | 178.5 | -85.2 | -86.3 | 0 | 0 | 0 | 113.4 | Y204 N210 G211 | Y204-H208 AromaticContact CD1-CD2 3.87Å; Y204-H208 AromaticContact CD2-CD2 3.68Å; Y204-H208 AromaticContact CD2-NE2 3.89Å; Y204-H208 AromaticContact CE1-CD2 3.54Å; Y204-H208 AromaticContact CE1-NE2 3.97Å; Y204-H208 AromaticContact CE2-CD2 3.35Å; Y204-H208 WeakPolarHBondContact CE2-CD2 3.46Å; Y204-H208 AromaticContact CE2-NE2 3.16Å; Y204-H208 WeakPolarHBondContact CE2-NE2 3.37Å; Y204-H208 AromaticContact CG-CD2 3.94Å; Y204-H208 AromaticContact CZ-CD2 3.27Å; Y204-H208 AromaticContact CZ-CE1 3.96Å; Y204-H208 AromaticContact CZ-NE2 3.19Å; Y204-H208 WeakPolarHBondContact O-CB 3.38Å; Y204-H208 PolarHBondContact O-CD2 2.88Å; Y204-H208 PolarHBondContact O-N 3.2Å; Y204-H208 PolarHBondContact OH-NE2 2.84Å; H208-N210 PolarHBondContact O-N 2.85Å; H208-G211 PolarHBondContact O-N 3.37Å |
| 209 | S | 56.5 | Low | 50.6 | Low | 85 Ų | 85 | 94.6 Ų | 94.6 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -25.7 | 169.6 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | E205 F206 | E205-S209 VanDerWaalsContact O-CB 3.25Å; E205-S209 WeakPolarHBondContact O-CB 3.2Å; E205-S209 PolarHBondContact O-N 3.46Å; E205-S209 PolarHBondContact O-OG 2.75Å; F206-S209 PolarHBondContact O-OG 3.3Å |
| 210 | N | 47.2 | Very low | 50 | Low | 110 Ų | 110 | 95.5 Ų | 95.5 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 40.6 | 171.1 | -73 | -25.5 | 0 | 0 | 0 | 112.4 | L207 H208 Q212 | L207-N210 CarbonylContact O-C 3.58Å; L207-N210 VanDerWaalsContact O-C 3.32Å; L207-N210 PolarHBondContact O-N 2.91Å; H208-N210 PolarHBondContact O-N 2.85Å; N210-Q212 PolarHBondContact O-N 2.84Å |
| 211 | G | 42.6 | Very low | 49.4 | Very low | 65 Ų | 65 | 96.9 Ų | 96.9 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | trans | 51 | 48.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120 | H208 | H208-G211 PolarHBondContact O-N 3.37Š| ||
| 212 | Q | 39.7 | Very low | 49.1 | Very low | 162 Ų | 162 | 92.7 Ų | 92.7 | 76% | 0.757 | 52% | 0.523 | S | S | * | . | trans | -127.7 | 106.8 | 165.6 | -72.1 | -163.1 | -15.3 | 0 | 0 | 113.3 | N210 S214 | N210-Q212 PolarHBondContact O-N 2.84Å; Q212-S214 PolarHBondContact O-N 2.66Å | ||
| 213 | N | 34.6 | Very low | 48.6 | Very low | 152 Ų | 152 | 94.8 Ų | 94.8 | 81% | 0.813 | 53% | 0.527 | S | S | * | . | trans | -79.5 | 103.1 | 171.6 | -76 | -15.9 | 0 | 0 | 0 | 110.5 | ||||
| 214 | S | 35.6 | Very low | 48.4 | Very low | 108 Ų | 108 | 96.7 Ų | 96.7 | 76% | 0.755 | 53% | 0.533 | S | S | * | . | trans | -129.2 | 77.8 | 166.4 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | Q212 | Q212-S214 PolarHBondContact O-N 2.66Š| ||
| 215 | L | 41.6 | Very low | 48.1 | Very low | 122 Ų | 122 | 96.8 Ų | 96.8 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | trans | -138.2 | 86.4 | -177.6 | -84.3 | 152.4 | 0 | 0 | 0 | 110.3 | ||||
| 216 | S | 41.5 | Very low | 47.7 | Very low | 111 Ų | 111 | 96.3 Ų | 96.3 | 78% | 0.776 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -158.5 | -7.9 | 160.6 | 59.4 | 0 | 0 | 0 | 0 | 117.1 | ||
| 217 | T | 37.7 | Very low | 47.6 | Very low | 143 Ų | 143 | 94.4 Ų | 94.4 | 88% | 0.877 | 52% | 0.522 | S | S | * | . | trans | -125.2 | 87.5 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 218 | G | 42 | Very low | 47.6 | Very low | 30 Ų | 30 | 94.5 Ų | 94.5 | 31% | 0.309 | 52% | 0.52 | S | S | . | . | trans | -141.1 | 141 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 219 | N | 51 | Low | 47.6 | Very low | 119 Ų | 119 | 96 Ų | 96 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | trans | -56.7 | 137 | 179.2 | -158.3 | -9.9 | 0 | 0 | 0 | 111.2 | W221 V222 Q223 | N219-W221 PolarHBondContact O-N 2.95Å; N219-W221 VanDerWaalsContact O-N 3.11Å; N219-V222 HydrophobicContact CB-CB 4.49Å; N219-V222 HydrophobicContact CB-CG2 4.08Å; N219-V222 WeakPolarHBondContact O-CA 3.42Å; N219-V222 WeakPolarHBondContact O-CB 3.32Å; N219-V222 PolarHBondContact O-N 3.22Å; N219-Q223 PolarHBondContact O-N 3.4Å; N219-Q223 VanDerWaalsContact O-N 3.13Å | ||
| 220 | V | 51.1 | Low | 47.7 | Very low | 74 Ų | 74 | 96.5 Ų | 96.5 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -52.9 | -38.9 | -172.9 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | Q223 R224 | V220-Q223 PolarHBondContact O-N 3.34Å; V220-R224 WeakPolarHBondContact O-CG 3.22Å; V220-R224 PolarHBondContact O-N 2.92Å |
| 221 | W | 44.6 | Very low | 48.4 | Very low | 154 Ų | 154 | 91.3 Ų | 91.3 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 176.8 | -88.3 | 99.3 | 0 | 0 | 0 | 113.4 | N219 R224 I225 | N219-W221 PolarHBondContact O-N 2.95Å; N219-W221 VanDerWaalsContact O-N 3.11Å; W221-R224 PolarHBondContact O-N 3.15Å; W221-I225 WeakPolarHBondContact O-CG1 3.33Å; W221-I225 PolarHBondContact O-N 2.93Å |
| 222 | V | 48.4 | Very low | 49.4 | Very low | 49 Ų | 49 | 91 Ų | 91 | 30% | 0.297 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -41.7 | 178 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | N219 R224 I225 R226 | N219-V222 HydrophobicContact CB-CB 4.49Å; N219-V222 HydrophobicContact CB-CG2 4.08Å; N219-V222 WeakPolarHBondContact O-CA 3.42Å; N219-V222 WeakPolarHBondContact O-CB 3.32Å; N219-V222 PolarHBondContact O-N 3.22Å; V222-R224 PolarHBondContact O-N 3.13Å; V222-I225 PolarHBondContact O-N 2.98Å; V222-R226 HydrophobicContact CG1-CG 4.4Å; V222-R226 WeakPolarHBondContact O-CB 3.16Å; V222-R226 VanDerWaalsContact O-CG 3.24Å; V222-R226 WeakPolarHBondContact O-CG 3.35Å; V222-R226 PolarHBondContact O-N 3.19Å |
| 223 | Q | 51.5 | Low | 50.6 | Low | 74 Ų | 74 | 86.9 Ų | 86.9 | 35% | 0.346 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 174 | -69.1 | 177.2 | -20.1 | 0 | 0 | 112.1 | N219 V220 I225 R226 R227 | N219-Q223 PolarHBondContact O-N 3.4Å; N219-Q223 VanDerWaalsContact O-N 3.13Å; V220-Q223 PolarHBondContact O-N 3.34Å; Q223-I225 PolarHBondContact O-N 3.02Å; Q223-R226 WeakPolarHBondContact O-CB 3.3Å; Q223-R226 PolarHBondContact O-N 2.97Å; Q223-R227 PolarHBondContact O-N 3.43Å |
| 224 | R | 56.1 | Low | 52 | Low | 60 Ų | 60 | 81.9 Ų | 81.9 | 23% | 0.226 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.4 | -72.5 | 176.4 | -179.5 | 178.2 | 0.5 | 112.8 | V220 W221 V222 F228 F569 | V220-R224 WeakPolarHBondContact O-CG 3.22Å; V220-R224 PolarHBondContact O-N 2.92Å; W221-R224 PolarHBondContact O-N 3.15Å; V222-R224 PolarHBondContact O-N 3.13Å; R224-F228 PolarHBondContact O-N 3.41Å; R224-F228 VanDerWaalsContact O-N 3.11Å; R224-F569 HydrophobicContact CB-CD1 4.45Å; R224-F569 HydrophobicContact CB-CE1 4.36Å; R224-F569 HydrophobicContact CG-CD1 4.37Å |
| 225 | I | 53.1 | Low | 53.4 | Low | 99 Ų | 99 | 77.7 Ų | 77.7 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 175.9 | -67.7 | 165.6 | 0 | 0 | 0 | 111.3 | W221 V222 Q223 F228 K229 | W221-I225 WeakPolarHBondContact O-CG1 3.33Å; W221-I225 PolarHBondContact O-N 2.93Å; V222-I225 PolarHBondContact O-N 2.98Å; Q223-I225 PolarHBondContact O-N 3.02Å; I225-F228 PolarHBondContact O-N 2.83Å; I225-K229 PolarHBondContact O-N 3.08Å |
| 226 | R | 50.8 | Low | 54.7 | Low | 103 Ų | 103 | 76.8 Ų | 76.8 | 39% | 0.389 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -50.1 | 175.2 | -75.2 | 173.4 | -177.3 | -172.8 | 3.9 | 111.3 | E130 V222 Q223 F228 K229 | E130-R226 IonicContact OE1-CZ 3.67Å; E130-R226 IonicContact OE1-NH2 2.93Å; E130-R226 PolarHBondContact OE1-NH2 2.94Å; V222-R226 HydrophobicContact CG1-CG 4.4Å; V222-R226 WeakPolarHBondContact O-CB 3.16Å; V222-R226 VanDerWaalsContact O-CG 3.24Å; V222-R226 WeakPolarHBondContact O-CG 3.35Å; V222-R226 PolarHBondContact O-N 3.19Å; Q223-R226 WeakPolarHBondContact O-CB 3.3Å; Q223-R226 PolarHBondContact O-N 2.97Å; R226-F228 VanDerWaalsContact C-N 3.29Å; R226-F228 PolarHBondContact O-N 3.25Å; R226-K229 PolarHBondContact O-N 3.49Å; R226-K229 VanDerWaalsContact O-N 3.1Å |
| 227 | R | 59.5 | Low | 55.8 | Low | 32 Ų | 32 | 71.9 Ų | 71.9 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 177.1 | -76 | 179.8 | 171.2 | -166.5 | -16.3 | 111.6 | Q223 K229 I230 M572 E573 F576 D577 E580 | Q223-R227 PolarHBondContact O-N 3.43Å; R227-K229 VanDerWaalsContact C-N 3.32Å; R227-K229 PolarHBondContact O-N 3.46Å; R227-I230 WeakPolarHBondContact O-CB 3.47Å; R227-I230 PolarHBondContact O-N 3.3Å; R227-M572 HydrophobicContact CB-CE 4.34Å; R227-E573 IonicContact CZ-OE1 2.77Å; R227-E573 IonicContact NH1-OE1 2.66Å; R227-E573 PolarHBondContact NH1-OE1 3.08Å; R227-F576 HydrophobicContact CB-CD2 3.87Å; R227-F576 HydrophobicContact CB-CE2 3.73Å; R227-F576 HydrophobicContact CB-CZ 4.37Å; R227-F576 HydrophobicContact CG-CD2 3.97Å; R227-F576 HydrophobicContact CG-CE2 4.29Å; R227-F576 HydrophobicContact CG-CG 4.29Å; R227-F576 WeakPolarHBondContact O-CZ 3.42Å; R227-D577 IonicContact CZ-OD1 3.48Å; R227-D577 IonicContact NH1-OD1 3.91Å; R227-D577 PolarHBondContact NH1-OD1 3.01Å; R227-D577 IonicContact NH2-OD1 3.49Å; R227-D577 PolarHBondContact NH2-OD1 3.01Å; R227-E580 IonicContact CZ-OE1 3.73Å; R227-E580 IonicContact NE-OE1 3.95Å; R227-E580 IonicContact NH2-OE1 3.68Å; R227-E580 PolarHBondContact NH2-OE1 3.31Å; R227-E580 IonicContact NH2-OE2 2.87Å; R227-E580 PolarHBondContact NH2-OE2 2.8Å |
| 228 | F | 58.6 | Low | 56.9 | Low | 62 Ų | 62 | 75.2 Ų | 75.2 | 27% | 0.272 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 175.2 | -168.4 | -98.5 | 0 | 0 | 0 | 113.9 | R224 I225 R226 I230 V231 S232 I394 L395 | R224-F228 PolarHBondContact O-N 3.41Å; R224-F228 VanDerWaalsContact O-N 3.11Å; I225-F228 PolarHBondContact O-N 2.83Å; R226-F228 VanDerWaalsContact C-N 3.29Å; R226-F228 PolarHBondContact O-N 3.25Å; F228-I230 VanDerWaalsContact C-N 3.33Å; F228-I230 PolarHBondContact O-N 3.18Å; F228-V231 WeakPolarHBondContact O-CB 3.31Å; F228-V231 PolarHBondContact O-N 2.91Å; F228-V231 VanDerWaalsContact O-N 3.17Å; F228-S232 PolarHBondContact O-N 3.17Å; F228-I394 HydrophobicContact CD2-CG2 4.21Å; F228-I394 HydrophobicContact CE2-CG2 3.85Å; F228-L395 HydrophobicContact CZ-CD1 4.19Å |
| 229 | K | 55.8 | Low | 58 | Low | 102 Ų | 102 | 78.8 Ų | 78.8 | 44% | 0.443 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 177.1 | -79.2 | -175.4 | -179.3 | 173.8 | 0 | 113 | I225 R226 R227 V231 S232 | I225-K229 PolarHBondContact O-N 3.08Å; R226-K229 PolarHBondContact O-N 3.49Å; R226-K229 VanDerWaalsContact O-N 3.1Å; R227-K229 VanDerWaalsContact C-N 3.32Å; R227-K229 PolarHBondContact O-N 3.46Å; K229-V231 PolarHBondContact O-N 3.29Å; K229-S232 WeakPolarHBondContact O-CB 3.25Å; K229-S232 PolarHBondContact O-N 3.39Å; K229-S232 PolarHBondContact O-OG 3.11Å |
| 230 | I | 58.5 | Low | 59.1 | Low | 95 Ų | 95 | 76.3 Ų | 76.3 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -31 | 175.4 | -59.7 | 172.6 | 0 | 0 | 0 | 110.3 | R227 F228 P233 F576 | R227-I230 WeakPolarHBondContact O-CB 3.47Å; R227-I230 PolarHBondContact O-N 3.3Å; F228-I230 VanDerWaalsContact C-N 3.33Å; F228-I230 PolarHBondContact O-N 3.18Å; I230-P233 WeakPolarHBondContact O-CD 3.23Å; I230-F576 HydrophobicContact CB-CE1 4.13Å; I230-F576 HydrophobicContact CB-CZ 4.19Å; I230-F576 HydrophobicContact CD1-CE1 4.18Å; I230-F576 HydrophobicContact CG2-CE1 3.88Å; I230-F576 HydrophobicContact CG2-CZ 4.32Å |
| 231 | V | 62.3 | Low | 60.5 | Low | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -81.9 | -24.8 | -178.6 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | F228 K229 P233 F234 I235 I391 F576 | F228-V231 WeakPolarHBondContact O-CB 3.31Å; F228-V231 PolarHBondContact O-N 2.91Å; F228-V231 VanDerWaalsContact O-N 3.17Å; K229-V231 PolarHBondContact O-N 3.29Å; V231-P233 VanDerWaalsContact C-N 3.31Å; V231-P233 VanDerWaalsContact O-N 3.13Å; V231-F234 WeakPolarHBondContact O-CB 3.28Å; V231-F234 PolarHBondContact O-N 3.21Å; V231-I235 HydrophobicContact CG1-CD1 3.76Å; V231-I235 HydrophobicContact CG1-CG1 4.24Å; V231-I235 PolarHBondContact O-N 3.43Å; V231-I391 HydrophobicContact CB-CD1 4.4Å; V231-I391 HydrophobicContact CG1-CB 4.02Å; V231-I391 HydrophobicContact CG1-CD1 3.71Å; V231-I391 HydrophobicContact CG1-CG1 3.74Å; V231-I391 HydrophobicContact CG1-CG2 3.19Å; V231-I391 HydrophobicContact CG2-CD1 3.71Å; V231-I391 HydrophobicContact CG2-CG1 3.95Å; V231-F576 HydrophobicContact CG2-CE2 4.09Å; V231-F576 HydrophobicContact CG2-CZ 3.61Å |
| 232 | S | 63.7 | Low | 62.3 | Low | 57 Ų | 57 | 78 Ų | 78 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -51.6 | -36.2 | -175.9 | 70 | 0 | 0 | 0 | 0 | 115.5 | F228 K229 F234 W236 | F228-S232 PolarHBondContact O-N 3.17Å; K229-S232 WeakPolarHBondContact O-CB 3.25Å; K229-S232 PolarHBondContact O-N 3.39Å; K229-S232 PolarHBondContact O-OG 3.11Å; S232-F234 VanDerWaalsContact C-N 3.29Å; S232-F234 PolarHBondContact O-N 3.04Å; S232-W236 PolarHBondContact O-N 3Å |
| 233 | P | 64.1 | Low | 64 | Low | 76 Ų | 76 | 76 Ų | 76 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.8 | -23.5 | 176.4 | -16.5 | 32.9 | 0 | 0 | 0 | 113.8 | I230 V231 W236 P237 | I230-P233 WeakPolarHBondContact O-CD 3.23Å; V231-P233 VanDerWaalsContact C-N 3.31Å; V231-P233 VanDerWaalsContact O-N 3.13Å; P233-W236 CarbonylContact O-C 3.55Å; P233-W236 VanDerWaalsContact O-C 3.3Å; P233-P237 VanDerWaalsContact O-CA 3.29Å; P233-P237 WeakPolarHBondContact O-CA 3.26Å |
| 234 | F | 64.4 | Low | 65.5 | Low | 48 Ų | 48 | 74.5 Ų | 74.5 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -79.9 | -36.1 | 179.2 | -62.7 | -85 | 0 | 0 | 0 | 111.6 | V231 S232 S352 E355 L356 M359 | V231-F234 WeakPolarHBondContact O-CB 3.28Å; V231-F234 PolarHBondContact O-N 3.21Å; S232-F234 VanDerWaalsContact C-N 3.29Å; S232-F234 PolarHBondContact O-N 3.04Å; F234-S352 PolarHBondContact O-OG 3.2Å; F234-E355 HydrophobicContact CD1-CG 4.11Å; F234-E355 HydrophobicContact CE1-CG 4.27Å; F234-L356 HydrophobicContact CB-CD1 4.35Å; F234-L356 HydrophobicContact CB-CD2 4.39Å; F234-L356 HydrophobicContact CB-CG 4.32Å; F234-L356 HydrophobicContact CD1-CD2 3.61Å; F234-L356 HydrophobicContact CD1-CG 3.89Å; F234-L356 HydrophobicContact CD2-CD2 3.84Å; F234-L356 HydrophobicContact CE1-CD2 3.71Å; F234-L356 HydrophobicContact CE1-CG 4.37Å; F234-L356 HydrophobicContact CE2-CD2 3.92Å; F234-L356 HydrophobicContact CG-CD1 4.5Å; F234-L356 HydrophobicContact CG-CD2 3.67Å; F234-L356 HydrophobicContact CG-CG 4.04Å; F234-L356 HydrophobicContact CZ-CD2 3.85Å; F234-M359 HydrophobicContact CZ-CE 4.38Å |
| 235 | I | 64.4 | Low | 66.9 | Low | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.3 | -40 | 173.7 | -65.9 | 156 | 0 | 0 | 0 | 111 | V231 P237 I391 L395 | V231-I235 HydrophobicContact CG1-CD1 3.76Å; V231-I235 HydrophobicContact CG1-CG1 4.24Å; V231-I235 PolarHBondContact O-N 3.43Å; I235-P237 VanDerWaalsContact C-CD 3.46Å; I235-P237 VanDerWaalsContact O-CD 3.31Å; I235-P237 WeakPolarHBondContact O-CD 3.48Å; I235-I391 HydrophobicContact CD1-CG2 4.45Å; I235-I391 HydrophobicContact CG1-CG2 4.47Å; I235-L395 HydrophobicContact CB-CD2 4.25Å; I235-L395 HydrophobicContact CD1-CD2 3.82Å; I235-L395 HydrophobicContact CG1-CD2 3.87Å; I235-L395 HydrophobicContact CG2-CD2 3.34Å |
| 236 | W | 69.4 | Low | 68.6 | Low | 104 Ų | 104 | 77.3 Ų | 77.3 | 39% | 0.394 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -118.6 | 76.2 | 179.4 | -169.5 | -85.5 | 0 | 0 | 0 | 110.7 | S232 P233 R238 Q244 V247 | S232-W236 PolarHBondContact O-N 3Å; P233-W236 CarbonylContact O-C 3.55Å; P233-W236 VanDerWaalsContact O-C 3.3Å; W236-R238 PolarHBondContact O-N 2.95Å; W236-Q244 HydrophobicContact CD2-CG 4.05Å; W236-Q244 HydrophobicContact CH2-CB 3.8Å; W236-Q244 HydrophobicContact CH2-CG 4.25Å; W236-Q244 HydrophobicContact CZ2-CB 3.64Å; W236-Q244 HydrophobicContact CZ2-CG 3.68Å; W236-Q244 HydrophobicContact CZ3-CB 4.33Å; W236-V247 HydrophobicContact CE3-CB 3.97Å; W236-V247 HydrophobicContact CE3-CG1 3.77Å; W236-V247 HydrophobicContact CE3-CG2 4.48Å; W236-V247 HydrophobicContact CZ3-CB 3.69Å; W236-V247 HydrophobicContact CZ3-CG1 3.61Å |
| 237 | P | 65 | Low | 70.3 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | trans | -66.1 | 123 | 179.9 | 25.9 | -33.5 | 0 | 0 | 0 | 110.3 | P233 I235 S239 Q240 I243 Q244 F351 | P233-P237 VanDerWaalsContact O-CA 3.29Å; P233-P237 WeakPolarHBondContact O-CA 3.26Å; I235-P237 VanDerWaalsContact C-CD 3.46Å; I235-P237 VanDerWaalsContact O-CD 3.31Å; I235-P237 WeakPolarHBondContact O-CD 3.48Å; P237-S239 PolarHBondContact O-N 3.07Å; P237-Q240 HydrophobicContact CG-CB 4.21Å; P237-Q240 PolarHBondContact O-N 3.07Å; P237-I243 HydrophobicContact CG-CB 4.01Å; P237-I243 HydrophobicContact CG-CD1 3.99Å; P237-I243 HydrophobicContact CG-CG2 3.82Å; P237-Q244 PolarHBondContact O-NE2 3.48Å; P237-F351 HydrophobicContact CB-CE1 3.91Å; P237-F351 HydrophobicContact CB-CZ 4.27Å; P237-F351 HydrophobicContact CG-CD1 4.27Å; P237-F351 HydrophobicContact CG-CE1 3.72Å; P237-F351 HydrophobicContact CG-CZ 4.36Å | ||
| 238 | R | 60.6 | Low | 71.6 | Confident | 213 Ų | 213 | 77.2 Ų | 77.2 | 80% | 0.804 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -65.2 | -25.8 | 178.9 | -71.1 | -173.3 | 178 | -170.1 | -1.6 | 113.2 | W236 | W236-R238 PolarHBondContact O-N 2.95Š|
| 239 | S | 64.5 | Low | 73 | Confident | 104 Ų | 104 | 76 Ų | 76 | 73% | 0.727 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -78.9 | -29.3 | -177.2 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | P237 | P237-S239 PolarHBondContact O-N 3.07Š|
| 240 | Q | 75.8 | Confident | 74.6 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | trans | -109.5 | 95.7 | -170 | -61.1 | -165.5 | 17.6 | 0 | 0 | 112.4 | P237 T242 I243 Q244 | P237-Q240 HydrophobicContact CG-CB 4.21Å; P237-Q240 PolarHBondContact O-N 3.07Å; Q240-T242 VanDerWaalsContact C-N 3.26Å; Q240-T242 PolarHBondContact O-N 2.94Å; Q240-I243 HydrophobicContact CB-CB 4.35Å; Q240-I243 HydrophobicContact CB-CD1 4.16Å; Q240-I243 HydrophobicContact CB-CG1 4.18Å; Q240-I243 PolarHBondContact O-N 3.47Å; Q240-Q244 PolarHBondContact O-N 3.01Å | ||
| 241 | K | 78.5 | Confident | 76 | Confident | 171 Ų | 171 | 71.2 Ų | 71.2 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.9 | -31.5 | 179.4 | -66.1 | -175 | 179.6 | 179.1 | 0 | 113.6 | Q244 L245 | K241-Q244 PolarHBondContact O-N 3.26Å; K241-L245 WeakPolarHBondContact O-CB 3.28Å; K241-L245 PolarHBondContact O-N 3.03Å |
| 242 | T | 83.3 | Confident | 77.2 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | Q240 L245 R246 | Q240-T242 VanDerWaalsContact C-N 3.26Å; Q240-T242 PolarHBondContact O-N 2.94Å; T242-L245 PolarHBondContact O-N 3.16Å; T242-R246 WeakPolarHBondContact O-CG 3.3Å; T242-R246 PolarHBondContact O-N 3.02Å; T242-R246 VanDerWaalsContact O-N 3.11Å |
| 243 | I | 83.9 | Confident | 78.4 | Confident | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 176.4 | -63.4 | -175.6 | 0 | 0 | 0 | 110.1 | P237 Q240 L245 R246 V247 V348 F351 | P237-I243 HydrophobicContact CG-CB 4.01Å; P237-I243 HydrophobicContact CG-CD1 3.99Å; P237-I243 HydrophobicContact CG-CG2 3.82Å; Q240-I243 HydrophobicContact CB-CB 4.35Å; Q240-I243 HydrophobicContact CB-CD1 4.16Å; Q240-I243 HydrophobicContact CB-CG1 4.18Å; Q240-I243 PolarHBondContact O-N 3.47Å; I243-L245 VanDerWaalsContact C-N 3.32Å; I243-L245 PolarHBondContact O-N 3.25Å; I243-R246 PolarHBondContact O-N 3.38Å; I243-R246 VanDerWaalsContact O-N 3.14Å; I243-V247 HydrophobicContact CG2-CG2 4.44Å; I243-V247 WeakPolarHBondContact O-CG2 3.43Å; I243-V247 PolarHBondContact O-N 3.43Å; I243-V348 HydrophobicContact CG2-CG1 4.3Å; I243-V348 HydrophobicContact CG2-CG2 4.23Å; I243-F351 HydrophobicContact CD1-CB 3.77Å; I243-F351 HydrophobicContact CD1-CD1 3.48Å; I243-F351 VanDerWaalsContact CD1-CD1 3.48Å; I243-F351 HydrophobicContact CD1-CD2 3.69Å; I243-F351 HydrophobicContact CD1-CE1 3.99Å; I243-F351 HydrophobicContact CD1-CE2 4.18Å; I243-F351 HydrophobicContact CD1-CG 3.31Å; I243-F351 HydrophobicContact CD1-CZ 4.31Å |
| 244 | Q | 82.9 | Confident | 79.5 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 176.4 | -65.7 | 179.4 | 1.4 | 0 | 0 | 112.2 | W236 P237 Q240 K241 R246 V247 F248 | W236-Q244 HydrophobicContact CD2-CG 4.05Å; W236-Q244 HydrophobicContact CH2-CB 3.8Å; W236-Q244 HydrophobicContact CH2-CG 4.25Å; W236-Q244 HydrophobicContact CZ2-CB 3.64Å; W236-Q244 HydrophobicContact CZ2-CG 3.68Å; W236-Q244 HydrophobicContact CZ3-CB 4.33Å; P237-Q244 PolarHBondContact O-NE2 3.48Å; Q240-Q244 PolarHBondContact O-N 3.01Å; K241-Q244 PolarHBondContact O-N 3.26Å; Q244-R246 VanDerWaalsContact C-N 3.34Å; Q244-R246 PolarHBondContact O-N 2.96Å; Q244-V247 PolarHBondContact O-N 2.71Å; Q244-F248 WeakPolarHBondContact O-CB 3.14Å; Q244-F248 PolarHBondContact O-N 3.28Å |
| 245 | L | 86.9 | Confident | 80.6 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 59% | 0.586 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176.5 | -176.4 | 65.2 | 0 | 0 | 0 | 111.3 | K241 T242 I243 F248 S249 | K241-L245 WeakPolarHBondContact O-CB 3.28Å; K241-L245 PolarHBondContact O-N 3.03Å; T242-L245 PolarHBondContact O-N 3.16Å; I243-L245 VanDerWaalsContact C-N 3.32Å; I243-L245 PolarHBondContact O-N 3.25Å; L245-F248 PolarHBondContact O-N 3.4Å; L245-S249 WeakPolarHBondContact O-CB 3.21Å; L245-S249 PolarHBondContact O-N 3.5Å; L245-S249 PolarHBondContact O-OG 3.4Å; L245-S249 VanDerWaalsContact O-OG 3.04Å |
| 246 | R | 87.3 | Confident | 81.7 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 177.5 | -72.3 | 175.3 | -179.5 | -176.6 | -2.5 | 112.2 | T242 I243 Q244 S249 C250 L344 V348 | T242-R246 WeakPolarHBondContact O-CG 3.3Å; T242-R246 PolarHBondContact O-N 3.02Å; T242-R246 VanDerWaalsContact O-N 3.11Å; I243-R246 PolarHBondContact O-N 3.38Å; I243-R246 VanDerWaalsContact O-N 3.14Å; Q244-R246 VanDerWaalsContact C-N 3.34Å; Q244-R246 PolarHBondContact O-N 2.96Å; R246-S249 PolarHBondContact O-N 3.3Å; R246-C250 PolarHBondContact O-N 3.36Å; R246-C250 PolarHBondContact O-SG 3.15Å; R246-L344 HydrophobicContact CG-CD2 4.36Å; R246-V348 HydrophobicContact CB-CG2 4.19Å |
| 247 | V | 86.5 | Confident | 82.6 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | W236 I243 Q244 S249 C250 F251 W345 V348 | W236-V247 HydrophobicContact CE3-CB 3.97Å; W236-V247 HydrophobicContact CE3-CG1 3.77Å; W236-V247 HydrophobicContact CE3-CG2 4.48Å; W236-V247 HydrophobicContact CZ3-CB 3.69Å; W236-V247 HydrophobicContact CZ3-CG1 3.61Å; I243-V247 HydrophobicContact CG2-CG2 4.44Å; I243-V247 WeakPolarHBondContact O-CG2 3.43Å; I243-V247 PolarHBondContact O-N 3.43Å; Q244-V247 PolarHBondContact O-N 2.71Å; V247-S249 PolarHBondContact O-N 3.18Å; V247-C250 WeakPolarHBondContact O-CB 3.48Å; V247-C250 PolarHBondContact O-N 3.48Å; V247-C250 VanDerWaalsContact O-N 3.17Å; V247-F251 HydrophobicContact CG1-CD2 4.01Å; V247-F251 HydrophobicContact CG1-CE2 3.65Å; V247-F251 VanDerWaalsContact O-CD2 3.23Å; V247-F251 WeakPolarHBondContact O-CD2 3.46Å; V247-F251 PolarHBondContact O-N 2.82Å; V247-F251 VanDerWaalsContact O-N 3.16Å; V247-W345 HydrophobicContact CG2-CZ3 4.48Å; V247-V348 HydrophobicContact CG2-CB 4.38Å; V247-V348 HydrophobicContact CG2-CG1 3.74Å; V247-V348 HydrophobicContact CG2-CG2 3.71Å |
| 248 | F | 86.9 | Confident | 83.6 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 55% | 0.548 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.3 | -179.5 | -97.8 | 0 | 0 | 0 | 111.9 | Q244 L245 C250 F251 V252 | Q244-F248 WeakPolarHBondContact O-CB 3.14Å; Q244-F248 PolarHBondContact O-N 3.28Å; L245-F248 PolarHBondContact O-N 3.4Å; F248-C250 VanDerWaalsContact C-N 3.28Å; F248-C250 PolarHBondContact O-N 3.25Å; F248-F251 WeakPolarHBondContact O-CB 3.42Å; F248-F251 PolarHBondContact O-N 3.23Å; F248-F251 VanDerWaalsContact O-N 3.08Å; F248-V252 HydrophobicContact CD1-CG2 4.09Å; F248-V252 HydrophobicContact CE1-CG2 3.64Å; F248-V252 HydrophobicContact CZ-CG2 3.93Å; F248-V252 PolarHBondContact O-N 3.3Å |
| 249 | S | 88 | Confident | 84.8 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -37.3 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | L245 R246 V247 F251 V252 L253 | L245-S249 WeakPolarHBondContact O-CB 3.21Å; L245-S249 PolarHBondContact O-N 3.5Å; L245-S249 PolarHBondContact O-OG 3.4Å; L245-S249 VanDerWaalsContact O-OG 3.04Å; R246-S249 PolarHBondContact O-N 3.3Å; V247-S249 PolarHBondContact O-N 3.18Å; S249-F251 VanDerWaalsContact C-N 3.34Å; S249-F251 PolarHBondContact O-N 2.74Å; S249-V252 PolarHBondContact O-N 2.98Å; S249-L253 WeakPolarHBondContact O-CB 3.47Å; S249-L253 WeakPolarHBondContact O-CG 3.39Å; S249-L253 PolarHBondContact O-N 3Å |
| 250 | C | 89.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 173.9 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | R246 V247 F248 L254 R341 F400 | R246-C250 PolarHBondContact O-N 3.36Å; R246-C250 PolarHBondContact O-SG 3.15Å; V247-C250 WeakPolarHBondContact O-CB 3.48Å; V247-C250 PolarHBondContact O-N 3.48Å; V247-C250 VanDerWaalsContact O-N 3.17Å; F248-C250 VanDerWaalsContact C-N 3.28Å; F248-C250 PolarHBondContact O-N 3.25Å; C250-L254 WeakPolarHBondContact O-CB 3.3Å; C250-L254 PolarHBondContact O-N 3.2Å; C250-R341 HydrophobicContact CB-CG 4.12Å; C250-F400 HydrophobicContact CB-CE1 4.36Å; C250-F400 HydrophobicContact CB-CZ 4.33Å |
| 251 | F | 87.9 | Confident | 86.4 | Confident | 94 Ų | 94 | 60 Ų | 60 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 175.2 | -77.6 | -71.2 | 0 | 0 | 0 | 112.2 | V247 F248 S249 L253 L254 I255 V399 | V247-F251 HydrophobicContact CG1-CD2 4.01Å; V247-F251 HydrophobicContact CG1-CE2 3.65Å; V247-F251 VanDerWaalsContact O-CD2 3.23Å; V247-F251 WeakPolarHBondContact O-CD2 3.46Å; V247-F251 PolarHBondContact O-N 2.82Å; V247-F251 VanDerWaalsContact O-N 3.16Å; F248-F251 WeakPolarHBondContact O-CB 3.42Å; F248-F251 PolarHBondContact O-N 3.23Å; F248-F251 VanDerWaalsContact O-N 3.08Å; S249-F251 VanDerWaalsContact C-N 3.34Å; S249-F251 PolarHBondContact O-N 2.74Å; F251-L253 VanDerWaalsContact C-N 3.35Å; F251-L253 PolarHBondContact O-N 3.34Å; F251-L254 WeakPolarHBondContact O-CB 3.24Å; F251-L254 PolarHBondContact O-N 3.16Å; F251-I255 WeakPolarHBondContact O-CG1 3.09Å; F251-I255 PolarHBondContact O-N 3.06Å; F251-V399 HydrophobicContact CD1-CG1 4.34Å; F251-V399 HydrophobicContact CE1-CG1 3.55Å; F251-V399 HydrophobicContact CZ-CG1 3.99Å |
| 252 | V | 87.7 | Confident | 86.8 | Confident | 73 Ų | 73 | 53.9 Ų | 53.9 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | F248 S249 L254 I255 A256 | F248-V252 HydrophobicContact CD1-CG2 4.09Å; F248-V252 HydrophobicContact CE1-CG2 3.64Å; F248-V252 HydrophobicContact CZ-CG2 3.93Å; F248-V252 PolarHBondContact O-N 3.3Å; S249-V252 PolarHBondContact O-N 2.98Å; V252-L254 VanDerWaalsContact C-N 3.32Å; V252-L254 PolarHBondContact O-N 3.43Å; V252-I255 PolarHBondContact O-N 2.94Å; V252-A256 WeakPolarHBondContact O-CB 3.17Å; V252-A256 PolarHBondContact O-N 3.39Å |
| 253 | L | 89.5 | Confident | 87 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 176.5 | -72.2 | 173.9 | 0 | 0 | 0 | 112.5 | S249 F251 A256 G257 I337 L340 R341 L344 | S249-L253 WeakPolarHBondContact O-CB 3.47Å; S249-L253 WeakPolarHBondContact O-CG 3.39Å; S249-L253 PolarHBondContact O-N 3Å; F251-L253 VanDerWaalsContact C-N 3.35Å; F251-L253 PolarHBondContact O-N 3.34Å; L253-A256 PolarHBondContact O-N 2.94Å; L253-G257 PolarHBondContact O-N 2.87Å; L253-I337 HydrophobicContact CB-CG2 4.1Å; L253-I337 HydrophobicContact CD2-CG2 4.3Å; L253-I337 WeakPolarHBondContact O-CG2 3.46Å; L253-L340 HydrophobicContact CD1-CB 4.07Å; L253-R341 HydrophobicContact CB-CB 4.24Å; L253-R341 HydrophobicContact CD1-CB 4.03Å; L253-L344 HydrophobicContact CD1-CD1 3.75Å |
| 254 | L | 87.4 | Confident | 87.2 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -50.3 | 174.6 | -173.1 | 167.8 | 0 | 0 | 0 | 110.6 | C250 F251 V252 G257 R258 V399 F400 P404 | C250-L254 WeakPolarHBondContact O-CB 3.3Å; C250-L254 PolarHBondContact O-N 3.2Å; F251-L254 WeakPolarHBondContact O-CB 3.24Å; F251-L254 PolarHBondContact O-N 3.16Å; V252-L254 VanDerWaalsContact C-N 3.32Å; V252-L254 PolarHBondContact O-N 3.43Å; L254-G257 PolarHBondContact O-N 3.46Å; L254-R258 HydrophobicContact CD2-CG 4.24Å; L254-R258 WeakPolarHBondContact O-CG 3.38Å; L254-R258 PolarHBondContact O-N 3.21Å; L254-R258 VanDerWaalsContact O-N 3.12Å; L254-V399 HydrophobicContact CD1-CG1 4.03Å; L254-V399 WeakPolarHBondContact CD1-O 3.46Å; L254-F400 HydrophobicContact CD1-CD1 4.05Å; L254-F400 HydrophobicContact CD1-CE1 4.47Å; L254-P404 HydrophobicContact CD1-CG 4.15Å; L254-P404 HydrophobicContact CD2-CG 4.32Å; L254-P404 HydrophobicContact CG-CG 4.34Å |
| 255 | I | 86.4 | Confident | 87.4 | Confident | 113 Ų | 113 | 53.1 Ų | 53.1 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.7 | -47.7 | 178.2 | -64.5 | 166.8 | 0 | 0 | 0 | 110.2 | F251 V252 G257 R258 V259 | F251-I255 WeakPolarHBondContact O-CG1 3.09Å; F251-I255 PolarHBondContact O-N 3.06Å; V252-I255 PolarHBondContact O-N 2.94Å; I255-G257 VanDerWaalsContact C-N 3.3Å; I255-G257 PolarHBondContact O-N 3.01Å; I255-R258 PolarHBondContact O-N 2.96Å; I255-V259 PolarHBondContact O-N 3.19Å |
| 256 | A | 87.5 | Confident | 87.5 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.2 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V252 L253 R258 V259 V260 I337 | V252-A256 WeakPolarHBondContact O-CB 3.17Å; V252-A256 PolarHBondContact O-N 3.39Å; L253-A256 PolarHBondContact O-N 2.94Å; A256-R258 VanDerWaalsContact C-N 3.28Å; A256-R258 PolarHBondContact O-N 3.31Å; A256-V259 PolarHBondContact O-N 3.49Å; A256-V260 WeakPolarHBondContact O-CG2 3.5Å; A256-V260 PolarHBondContact O-N 3.28Å; A256-I337 HydrophobicContact CB-CD1 4.49Å |
| 257 | G | 88 | Confident | 87.5 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -32.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L253 L254 I255 N261 | L253-G257 PolarHBondContact O-N 2.87Å; L254-G257 PolarHBondContact O-N 3.46Å; I255-G257 VanDerWaalsContact C-N 3.3Å; I255-G257 PolarHBondContact O-N 3.01Å; G257-N261 VanDerWaalsContact O-CG 3.31Å; G257-N261 PolarHBondContact O-N 3.1Å; G257-N261 PolarHBondContact O-OD1 2.93Å |
| 258 | R | 86.4 | Confident | 87.6 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.5 | -39.6 | 175.8 | -64.4 | -50.3 | 92.2 | 162.6 | -0.1 | 112.5 | L254 I255 A256 V260 N261 L262 D408 | L254-R258 HydrophobicContact CD2-CG 4.24Å; L254-R258 WeakPolarHBondContact O-CG 3.38Å; L254-R258 PolarHBondContact O-N 3.21Å; L254-R258 VanDerWaalsContact O-N 3.12Å; I255-R258 PolarHBondContact O-N 2.96Å; A256-R258 VanDerWaalsContact C-N 3.28Å; A256-R258 PolarHBondContact O-N 3.31Å; R258-V260 VanDerWaalsContact C-N 3.32Å; R258-V260 PolarHBondContact O-N 3.04Å; R258-N261 PolarHBondContact NH1-ND2 2.99Å; R258-N261 PolarHBondContact NH2-ND2 3.19Å; R258-N261 VanDerWaalsContact NH2-ND2 3.2Å; R258-N261 WeakPolarHBondContact O-CB 3.42Å; R258-N261 PolarHBondContact O-N 3.01Å; R258-L262 PolarHBondContact O-N 3.13Å; R258-D408 WeakPolarHBondContact CD-OD1 3.32Å; R258-D408 IonicContact CZ-OD2 3.67Å; R258-D408 IonicContact NE-OD1 3.02Å; R258-D408 IonicContact NH1-OD1 2.79Å; R258-D408 IonicContact NH1-OD2 3.39Å; R258-D408 PolarHBondContact NH1-OD2 2.96Å |
| 259 | V | 86.4 | Confident | 87.6 | Confident | 72 Ų | 72 | 43.6 Ų | 43.6 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -48.7 | 171.7 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | I255 A256 N261 L262 Y263 | I255-V259 PolarHBondContact O-N 3.19Å; A256-V259 PolarHBondContact O-N 3.49Å; V259-N261 VanDerWaalsContact C-N 3.35Å; V259-N261 PolarHBondContact O-N 3.35Å; V259-L262 PolarHBondContact O-N 3.15Å; V259-Y263 HydrophobicContact CG1-CD2 3.63Å; V259-Y263 HydrophobicContact CG1-CE2 3.78Å; V259-Y263 VanDerWaalsContact O-CD2 3.29Å; V259-Y263 WeakPolarHBondContact O-CD2 3.32Å; V259-Y263 PolarHBondContact O-N 3.32Å |
| 260 | V | 88 | Confident | 87.5 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 177.1 | 174 | 0 | 0 | 0 | 0 | 112.1 | A256 R258 L262 Y263 S264 L323 L326 Q327 I337 | A256-V260 WeakPolarHBondContact O-CG2 3.5Å; A256-V260 PolarHBondContact O-N 3.28Å; R258-V260 VanDerWaalsContact C-N 3.32Å; R258-V260 PolarHBondContact O-N 3.04Å; V260-L262 PolarHBondContact O-N 2.99Å; V260-Y263 PolarHBondContact O-N 3.03Å; V260-S264 WeakPolarHBondContact O-CB 3.34Å; V260-S264 PolarHBondContact O-N 2.78Å; V260-L323 HydrophobicContact CB-CD2 4.38Å; V260-L323 HydrophobicContact CG1-CB 4.16Å; V260-L323 HydrophobicContact CG1-CD2 4Å; V260-L323 VanDerWaalsContact CG1-O 3.29Å; V260-L323 WeakPolarHBondContact CG1-O 3.47Å; V260-L323 HydrophobicContact CG2-CD2 3.95Å; V260-L326 HydrophobicContact CG1-CB 4.17Å; V260-L326 HydrophobicContact CG2-CB 4.38Å; V260-L326 HydrophobicContact CG2-CD1 4.3Å; V260-Q327 HydrophobicContact CG1-CB 3.85Å; V260-I337 HydrophobicContact CB-CD1 4.48Å; V260-I337 HydrophobicContact CG2-CD1 3.83Å |
| 261 | N | 85.5 | Confident | 87.3 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -48.3 | 176.9 | -79.3 | -0.1 | 0 | 0 | 0 | 112.2 | G257 R258 V259 P265 Q327 Q550 | G257-N261 VanDerWaalsContact O-CG 3.31Å; G257-N261 PolarHBondContact O-N 3.1Å; G257-N261 PolarHBondContact O-OD1 2.93Å; R258-N261 PolarHBondContact NH1-ND2 2.99Å; R258-N261 PolarHBondContact NH2-ND2 3.19Å; R258-N261 VanDerWaalsContact NH2-ND2 3.2Å; R258-N261 WeakPolarHBondContact O-CB 3.42Å; R258-N261 PolarHBondContact O-N 3.01Å; V259-N261 VanDerWaalsContact C-N 3.35Å; V259-N261 PolarHBondContact O-N 3.35Å; N261-P265 WeakPolarHBondContact O-CD 3.49Å; N261-Q327 VanDerWaalsContact OD1-CG 3.3Å; N261-Q327 WeakPolarHBondContact OD1-CG 3.07Å; N261-Q327 PolarHBondContact OD1-NE2 2.97Å; N261-Q550 PolarHBondContact O-NE2 2.95Å; N261-Q550 PolarHBondContact O-OE1 3.43Å |
| 262 | L | 86.7 | Confident | 87.2 | Confident | 42 Ų | 42 | 41 Ų | 41 | 22% | 0.22 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 179.6 | 175.9 | 63.2 | 0 | 0 | 0 | 112.1 | R258 V259 V260 I266 I411 Y415 Y547 | R258-L262 PolarHBondContact O-N 3.13Å; V259-L262 PolarHBondContact O-N 3.15Å; V260-L262 PolarHBondContact O-N 2.99Å; L262-I266 HydrophobicContact CD1-CD1 4.31Å; L262-I266 HydrophobicContact CG-CD1 4.28Å; L262-I266 WeakPolarHBondContact O-CD1 3.44Å; L262-I266 WeakPolarHBondContact O-CG1 3.4Å; L262-I411 HydrophobicContact CD1-CG2 4.03Å; L262-I411 HydrophobicContact CD2-CG2 4.1Å; L262-Y415 HydrophobicContact CD1-CD2 3.98Å; L262-Y415 HydrophobicContact CD1-CG 4.17Å; L262-Y547 HydrophobicContact CD1-CE1 3.88Å; L262-Y547 WeakPolarHBondContact CD1-OH 3.34Å |
| 263 | Y | 87 | Confident | 87 | Confident | 127 Ų | 127 | 39.4 Ų | 39.4 | 50% | 0.498 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.2 | -24 | -176.7 | -85.2 | -80.4 | 0 | 0 | 0 | 114 | V259 V260 I266 L267 | V259-Y263 HydrophobicContact CG1-CD2 3.63Å; V259-Y263 HydrophobicContact CG1-CE2 3.78Å; V259-Y263 VanDerWaalsContact O-CD2 3.29Å; V259-Y263 WeakPolarHBondContact O-CD2 3.32Å; V259-Y263 PolarHBondContact O-N 3.32Å; V260-Y263 PolarHBondContact O-N 3.03Å; Y263-I266 PolarHBondContact O-N 2.87Å; Y263-L267 WeakPolarHBondContact O-CB 3.38Å; Y263-L267 PolarHBondContact O-N 3.05Å |
| 264 | S | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | -176.1 | 176.4 | 0 | 0 | 0 | 0 | 113.7 | V260 I266 Y268 R324 | V260-S264 WeakPolarHBondContact O-CB 3.34Å; V260-S264 PolarHBondContact O-N 2.78Å; S264-I266 VanDerWaalsContact C-N 3.35Å; S264-Y268 PolarHBondContact O-N 3.02Å; S264-Y268 VanDerWaalsContact O-N 3.17Å; S264-R324 PolarHBondContact OG-NE 3.43Å; S264-R324 VanDerWaalsContact OG-NE 3.14Å |
| 265 | P | 88 | Confident | 86 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 174 | -22.1 | 33.7 | 0 | 0 | 0 | 113.4 | N261 Y268 K269 L543 Y547 | N261-P265 WeakPolarHBondContact O-CD 3.49Å; P265-Y268 PolarHBondContact O-N 3.28Å; P265-K269 PolarHBondContact O-N 3.01Å; P265-L543 HydrophobicContact CB-CG 4.22Å; P265-Y547 HydrophobicContact CB-CD1 4.06Å; P265-Y547 HydrophobicContact CB-CG 4.2Å; P265-Y547 HydrophobicContact CG-CD1 4.07Å; P265-Y547 HydrophobicContact CG-CG 3.96Å |
| 266 | I | 88.1 | Confident | 85.3 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 11% | 0.108 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 179.4 | -59.4 | 176.2 | 0 | 0 | 0 | 110.1 | L262 Y263 S264 Y268 K269 D270 Y415 L543 | L262-I266 HydrophobicContact CD1-CD1 4.31Å; L262-I266 HydrophobicContact CG-CD1 4.28Å; L262-I266 WeakPolarHBondContact O-CD1 3.44Å; L262-I266 WeakPolarHBondContact O-CG1 3.4Å; Y263-I266 PolarHBondContact O-N 2.87Å; S264-I266 VanDerWaalsContact C-N 3.35Å; I266-Y268 VanDerWaalsContact C-N 3.26Å; I266-Y268 PolarHBondContact O-N 3.3Å; I266-K269 VanDerWaalsContact O-CB 3.3Å; I266-K269 WeakPolarHBondContact O-CB 3.45Å; I266-K269 PolarHBondContact O-N 3.11Å; I266-K269 VanDerWaalsContact O-N 3.17Å; I266-D270 PolarHBondContact O-N 3.5Å; I266-Y415 HydrophobicContact CD1-CD2 4.35Å; I266-Y415 HydrophobicContact CD1-CE2 3.5Å; I266-Y415 VanDerWaalsContact CD1-CE2 3.5Å; I266-Y415 HydrophobicContact CG1-CE2 4.08Å; I266-Y415 WeakPolarHBondContact CG1-OH 3.27Å; I266-L543 HydrophobicContact CG1-CD1 4.33Å |
| 267 | L | 87.5 | Confident | 83.8 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -33.4 | 178.9 | -169 | 63.7 | 0 | 0 | 0 | 111.7 | Y263 D270 I271 Y316 L319 F320 L323 | Y263-L267 WeakPolarHBondContact O-CB 3.38Å; Y263-L267 PolarHBondContact O-N 3.05Å; L267-D270 PolarHBondContact O-N 3.2Å; L267-I271 WeakPolarHBondContact O-CG1 3.28Å; L267-I271 PolarHBondContact O-N 2.93Å; L267-Y316 HydrophobicContact CD1-CD1 3.73Å; L267-Y316 HydrophobicContact CD1-CE1 4.46Å; L267-Y316 HydrophobicContact CD1-CG 4.31Å; L267-L319 HydrophobicContact CD1-CD2 4.08Å; L267-L319 HydrophobicContact CD2-CB 3.84Å; L267-L319 HydrophobicContact CD2-CD2 3.75Å; L267-L319 HydrophobicContact CD2-CG 3.58Å; L267-F320 HydrophobicContact CD2-CB 3.75Å; L267-F320 VanDerWaalsContact CD2-N 3.31Å; L267-F320 HydrophobicContact CG-CB 4.24Å; L267-L323 HydrophobicContact CD2-CD1 3.78Å |
| 268 | Y | 89.2 | Confident | 82.2 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 33% | 0.329 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 174.4 | -168.5 | -144.6 | 0 | 0 | 0 | 112.4 | S264 P265 I266 D270 I271 V272 F320 V542 T546 | S264-Y268 PolarHBondContact O-N 3.02Å; S264-Y268 VanDerWaalsContact O-N 3.17Å; P265-Y268 PolarHBondContact O-N 3.28Å; I266-Y268 VanDerWaalsContact C-N 3.26Å; I266-Y268 PolarHBondContact O-N 3.3Å; Y268-D270 VanDerWaalsContact C-N 3.31Å; Y268-D270 PolarHBondContact O-N 3.29Å; Y268-I271 PolarHBondContact O-N 3.05Å; Y268-V272 HydrophobicContact CD2-CG2 4.4Å; Y268-V272 HydrophobicContact CE2-CG2 4.18Å; Y268-V272 WeakPolarHBondContact O-CG2 3.45Å; Y268-V272 PolarHBondContact O-N 3.42Å; Y268-F320 HydrophobicContact CD2-CE2 4.49Å; Y268-F320 HydrophobicContact CD2-CZ 4.31Å; Y268-F320 HydrophobicContact CG-CE2 4.22Å; Y268-F320 HydrophobicContact CG-CZ 4.28Å; Y268-V542 HydrophobicContact CD1-CG1 3.37Å; Y268-V542 HydrophobicContact CE1-CG1 3.14Å; Y268-V542 HydrophobicContact CG-CG1 4.24Å; Y268-T546 HydrophobicContact CD1-CG2 3.59Å; Y268-T546 HydrophobicContact CE1-CG2 3.61Å |
| 269 | K | 87.7 | Confident | 80.3 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 169.3 | 159.1 | -176.6 | 165.6 | -171.4 | 0 | 111.9 | P265 I266 I271 V272 N273 G539 H540 L543 | P265-K269 PolarHBondContact O-N 3.01Å; I266-K269 VanDerWaalsContact O-CB 3.3Å; I266-K269 WeakPolarHBondContact O-CB 3.45Å; I266-K269 PolarHBondContact O-N 3.11Å; I266-K269 VanDerWaalsContact O-N 3.17Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-V272 PolarHBondContact O-N 3.13Å; K269-N273 WeakPolarHBondContact O-CB 3.44Å; K269-N273 PolarHBondContact O-N 2.85Å; K269-N273 PolarHBondContact O-ND2 2.76Å; K269-G539 WeakPolarHBondContact CB-O 3.47Å; K269-H540 WeakPolarHBondContact CE-CE1 3.34Å; K269-H540 WeakPolarHBondContact CE-NE2 3.39Å; K269-H540 PolarHBondContact NZ-CE1 2.88Å; K269-H540 PolarHBondContact NZ-NE2 3.3Å; K269-L543 HydrophobicContact CB-CB 4.04Å; K269-L543 HydrophobicContact CB-CD1 3.98Å; K269-L543 HydrophobicContact CB-CG 4.49Å; K269-L543 HydrophobicContact CD-CB 4.39Å; K269-L543 HydrophobicContact CD-CD1 3.55Å; K269-L543 HydrophobicContact CG-CD1 4.38Å |
| 270 | D | 84.7 | Confident | 78.3 | Confident | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -37.3 | -177.2 | -66.9 | -24.5 | 0 | 0 | 0 | 111.8 | I266 L267 Y268 S274 | I266-D270 PolarHBondContact O-N 3.5Å; L267-D270 PolarHBondContact O-N 3.2Å; Y268-D270 VanDerWaalsContact C-N 3.31Å; Y268-D270 PolarHBondContact O-N 3.29Å; D270-S274 WeakPolarHBondContact O-CB 3.49Å; D270-S274 PolarHBondContact O-N 2.88Å |
| 271 | I | 85.6 | Confident | 76.2 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.077 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 171 | -66.5 | 165.4 | 0 | 0 | 0 | 110.3 | L267 Y268 K269 N273 S274 L275 V317 F320 | L267-I271 WeakPolarHBondContact O-CG1 3.28Å; L267-I271 PolarHBondContact O-N 2.93Å; Y268-I271 PolarHBondContact O-N 3.05Å; K269-I271 VanDerWaalsContact C-N 3.34Å; I271-N273 PolarHBondContact O-N 3.32Å; I271-S274 PolarHBondContact O-N 3.04Å; I271-S274 VanDerWaalsContact O-N 3.14Å; I271-S274 PolarHBondContact O-OG 3.4Å; I271-L275 HydrophobicContact CG2-CD1 4.08Å; I271-L275 WeakPolarHBondContact O-CG 3.4Å; I271-L275 PolarHBondContact O-N 3.04Å; I271-V317 HydrophobicContact CD1-CG2 4.33Å; I271-V317 HydrophobicContact CG2-CG2 4.44Å; I271-F320 HydrophobicContact CD1-CB 3.76Å; I271-F320 HydrophobicContact CD1-CG 4.1Å |
| 272 | V | 86 | Confident | 73.9 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | -178.8 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | Y268 K269 S274 L275 S276 V538 V542 | Y268-V272 HydrophobicContact CD2-CG2 4.4Å; Y268-V272 HydrophobicContact CE2-CG2 4.18Å; Y268-V272 WeakPolarHBondContact O-CG2 3.45Å; Y268-V272 PolarHBondContact O-N 3.42Å; K269-V272 PolarHBondContact O-N 3.13Å; V272-S274 VanDerWaalsContact C-N 3.26Å; V272-S274 PolarHBondContact O-N 3.12Å; V272-L275 PolarHBondContact O-N 2.96Å; V272-L275 VanDerWaalsContact O-N 3.12Å; V272-S276 PolarHBondContact O-N 3.25Å; V272-S276 VanDerWaalsContact O-N 3.14Å; V272-S276 PolarHBondContact O-OG 3.03Å; V272-V538 HydrophobicContact CG1-CG1 4.11Å; V272-V542 HydrophobicContact CG1-CG2 4.09Å; V272-V542 HydrophobicContact CG2-CB 4.27Å; V272-V542 HydrophobicContact CG2-CG1 4.11Å; V272-V542 HydrophobicContact CG2-CG2 4.15Å |
| 273 | N | 82.9 | Confident | 71.5 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.8 | -35 | 174.9 | -75.5 | -22.1 | 0 | 0 | 0 | 111.9 | K269 I271 L275 T537 G539 | K269-N273 WeakPolarHBondContact O-CB 3.44Å; K269-N273 PolarHBondContact O-N 2.85Å; K269-N273 PolarHBondContact O-ND2 2.76Å; I271-N273 PolarHBondContact O-N 3.32Å; N273-L275 PolarHBondContact O-N 3.24Å; N273-T537 PolarHBondContact ND2-OG1 3.38Å; N273-T537 VanDerWaalsContact OD1-CB 3.3Å; N273-T537 WeakPolarHBondContact OD1-CB 3.21Å; N273-T537 PolarHBondContact OD1-OG1 2.9Å; N273-G539 VanDerWaalsContact OD1-CA 3.23Å; N273-G539 WeakPolarHBondContact OD1-CA 3.42Å; N273-G539 PolarHBondContact OD1-N 2.72Å |
| 274 | S | 79 | Confident | 69 | Low | 29 Ų | 29 | 65.1 Ų | 65.1 | 20% | 0.203 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.7 | -18.4 | 176.8 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | D270 I271 V272 | D270-S274 WeakPolarHBondContact O-CB 3.49Å; D270-S274 PolarHBondContact O-N 2.88Å; I271-S274 PolarHBondContact O-N 3.04Å; I271-S274 VanDerWaalsContact O-N 3.14Å; I271-S274 PolarHBondContact O-OG 3.4Å; V272-S274 VanDerWaalsContact C-N 3.26Å; V272-S274 PolarHBondContact O-N 3.12Å |
| 275 | L | 78.6 | Confident | 66.4 | Low | 104 Ų | 104 | 70.8 Ų | 70.8 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -100.6 | -7.3 | 179.8 | -67 | 173.2 | 0 | 0 | 0 | 113.4 | I271 V272 N273 | I271-L275 HydrophobicContact CG2-CD1 4.08Å; I271-L275 WeakPolarHBondContact O-CG 3.4Å; I271-L275 PolarHBondContact O-N 3.04Å; V272-L275 PolarHBondContact O-N 2.96Å; V272-L275 VanDerWaalsContact O-N 3.12Å; N273-L275 PolarHBondContact O-N 3.24Å |
| 276 | S | 69.8 | Low | 63.7 | Low | 40 Ų | 40 | 73.5 Ų | 73.5 | 28% | 0.28 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -84.9 | 127.3 | 178 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | V272 V278 | V272-S276 PolarHBondContact O-N 3.25Å; V272-S276 VanDerWaalsContact O-N 3.14Å; V272-S276 PolarHBondContact O-OG 3.03Å; S276-V278 PolarHBondContact O-N 3.01Å |
| 277 | E | 56.9 | Low | 61.5 | Low | 169 Ų | 169 | 77.3 Ų | 77.3 | 79% | 0.79 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 132.1 | -178.5 | -74.1 | 178.9 | 168.4 | 0 | 0 | 111.5 | ||
| 278 | V | 54.7 | Low | 59 | Low | 95 Ų | 95 | 84.9 Ų | 84.9 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 126.2 | 171.1 | 177.8 | 0 | 0 | 0 | 0 | 107.3 | S276 N280 | S276-V278 PolarHBondContact O-N 3.01Å; V278-N280 PolarHBondContact O-N 2.97Å |
| 279 | D | 46.6 | Very low | 56.4 | Low | 131 Ų | 131 | 89.2 Ų | 89.2 | 70% | 0.701 | 50% | 0.5 | S | S | * | . | trans | -50.3 | 114.7 | 172.5 | -94.9 | -29.5 | 0 | 0 | 0 | 110.7 | S281 | D279-S281 PolarHBondContact O-N 3.42Å; D279-S281 VanDerWaalsContact O-N 3.11Å | ||
| 280 | N | 44.3 | Very low | 54.1 | Low | 163 Ų | 163 | 91 Ų | 91 | 87% | 0.872 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 2.1 | 173.7 | -83.6 | -23.7 | 0 | 0 | 0 | 113.1 | V278 T282 | V278-N280 PolarHBondContact O-N 2.97Å; N280-T282 VanDerWaalsContact C-N 3.29Å; N280-T282 PolarHBondContact O-N 3.37Å |
| 281 | S | 42.4 | Very low | 51.6 | Low | 102 Ų | 102 | 95.5 Ų | 95.5 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -17.8 | -175.8 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | D279 | D279-S281 PolarHBondContact O-N 3.42Å; D279-S281 VanDerWaalsContact O-N 3.11Å |
| 282 | T | 38.6 | Very low | 49.3 | Very low | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -121 | 112.6 | 167.3 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | N280 T284 | N280-T282 VanDerWaalsContact C-N 3.29Å; N280-T282 PolarHBondContact O-N 3.37Å; T282-T284 PolarHBondContact O-N 3.19Å |
| 283 | G | 37 | Very low | 47 | Very low | 93 Ų | 93 | 108.3 Ų | 108.3 | 96% | 0.959 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -61.8 | 22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 284 | T | 32.6 | Very low | 44.8 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -108.8 | 116.1 | 167.9 | 50.6 | 0 | 0 | 0 | 0 | 107.6 | T282 S286 | T282-T284 PolarHBondContact O-N 3.19Å; T284-S286 PolarHBondContact O-N 3.04Å |
| 285 | L | 33.6 | Very low | 43.2 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 63% | 0.628 | 64% | 0.64 | S | S | * | * | trans | -55.5 | 80.4 | 165.4 | -80.6 | 158.2 | 0 | 0 | 0 | 109.3 | F287 | L285-F287 VanDerWaalsContact C-N 3.31Å; L285-F287 HydrophobicContact CB-CD2 4.47Å; L285-F287 HydrophobicContact CB-CE2 4.48Å; L285-F287 PolarHBondContact O-N 3.41Å | ||
| 286 | S | 32.8 | Very low | 41.9 | Very low | 57 Ų | 57 | 114.1 Ų | 114.1 | 40% | 0.399 | 63% | 0.63 | S | S | . | * | trans | -79 | 86.5 | -177.7 | -149 | 0 | 0 | 0 | 0 | 107.7 | T284 K288 | T284-S286 PolarHBondContact O-N 3.04Å; S286-K288 PolarHBondContact O-N 3.43Å; S286-K288 WeakPolarHBondContact OG-CB 3.25Å; S286-K288 WeakPolarHBondContact OG-CD 3.32Å; S286-K288 WeakPolarHBondContact OG-CG 3.5Å | ||
| 287 | F | 40.1 | Very low | 41 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 44% | 0.439 | 65% | 0.649 | S | S | . | * | trans | -66.2 | 46.9 | 164.1 | -82.7 | -85.3 | 0 | 0 | 0 | 110.8 | L285 H289 | L285-F287 VanDerWaalsContact C-N 3.31Å; L285-F287 HydrophobicContact CB-CD2 4.47Å; L285-F287 HydrophobicContact CB-CE2 4.48Å; L285-F287 PolarHBondContact O-N 3.41Å; F287-H289 VanDerWaalsContact C-N 3.25Å; F287-H289 PolarHBondContact O-N 3.25Å; F287-H289 VanDerWaalsContact O-N 3.11Å | ||
| 288 | K | 36.1 | Very low | 40.8 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 1.1 | -162.5 | -122 | -176.4 | -175.8 | -179.6 | 0 | 114.9 | S286 | S286-K288 PolarHBondContact O-N 3.43Å; S286-K288 WeakPolarHBondContact OG-CB 3.25Å; S286-K288 WeakPolarHBondContact OG-CD 3.32Å; S286-K288 WeakPolarHBondContact OG-CG 3.5Å |
| 289 | H | 35.3 | Very low | 40.6 | Very low | 176 Ų | 176 | 114.3 Ų | 114.3 | 82% | 0.815 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.2 | 18.6 | -176.7 | -116.3 | -73.2 | 0 | 0 | 0 | 120.3 | F287 | F287-H289 VanDerWaalsContact C-N 3.25Å; F287-H289 PolarHBondContact O-N 3.25Å; F287-H289 VanDerWaalsContact O-N 3.11Å |
| 290 | S | 38.2 | Very low | 41.1 | Very low | 68 Ų | 68 | 112.5 Ų | 112.5 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | trans | -136.7 | 75.3 | 177.2 | 55.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 291 | L | 31.4 | Very low | 41.6 | Very low | 136 Ų | 136 | 112 Ų | 112 | 71% | 0.712 | 60% | 0.603 | S | S | * | * | trans | -117.1 | 76 | 174.5 | -69.4 | 172.3 | 0 | 0 | 0 | 111.4 | ||||
| 292 | I | 39.1 | Very low | 42 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 80% | 0.8 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -105.4 | -21.1 | 154.3 | -60.3 | 178.6 | 0 | 0 | 0 | 110.7 | ||
| 293 | M | 37 | Very low | 42.8 | Very low | 149 Ų | 149 | 105.7 Ų | 105.7 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -135.5 | 131.6 | 168.2 | -73.5 | -169.7 | 168.4 | 0 | 0 | 110.7 | ||
| 294 | K | 37.3 | Very low | 43.7 | Very low | 197 Ų | 197 | 106.5 Ų | 106.5 | 86% | 0.857 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 135.1 | 175.2 | -89.9 | 177.6 | 172.9 | 175.4 | 0 | 109.9 | S296 | K294-S296 PolarHBondContact O-N 3.07Š|
| 295 | P | 45.4 | Very low | 44.7 | Very low | 51 Ų | 51 | 105.6 Ų | 105.6 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128 | 171.7 | 23.6 | -30.6 | 0 | 0 | 0 | 109.3 | T299 | P295-T299 WeakPolarHBondContact CB-OG1 3.34Š|
| 296 | S | 50.3 | Low | 45.8 | Very low | 46 Ų | 46 | 101.9 Ų | 101.9 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 153.4 | 174.6 | 69.9 | 0 | 0 | 0 | 0 | 109.8 | K294 Y298 T299 | K294-S296 PolarHBondContact O-N 3.07Å; S296-Y298 PolarHBondContact O-N 3Å; S296-T299 PolarHBondContact N-OG1 3.41Å; S296-T299 PolarHBondContact O-N 2.79Å; S296-T299 PolarHBondContact O-OG1 3.08Å |
| 297 | P | 51 | Low | 47 | Very low | 106 Ų | 106 | 111.1 Ų | 111.1 | 69% | 0.688 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -52 | -33.5 | 177.8 | -24.9 | 32.2 | 0 | 0 | 0 | 113.3 | T299 I300 F301 | P297-T299 VanDerWaalsContact C-N 3.31Å; P297-T299 PolarHBondContact O-N 2.99Å; P297-I300 PolarHBondContact O-N 2.92Å; P297-F301 PolarHBondContact O-N 3.4Å |
| 298 | Y | 52.3 | Low | 48.1 | Very low | 194 Ų | 194 | 109.9 Ų | 109.9 | 76% | 0.761 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.5 | -34.9 | 175.8 | -67.4 | -78.3 | 0 | 0 | 0 | 113.7 | S296 F301 S302 | S296-Y298 PolarHBondContact O-N 3Å; Y298-F301 PolarHBondContact O-N 2.96Å; Y298-S302 WeakPolarHBondContact O-CB 3.14Å; Y298-S302 PolarHBondContact O-N 3.33Å; Y298-S302 PolarHBondContact O-OG 2.92Å |
| 299 | T | 51.8 | Low | 49.4 | Very low | 8 Ų | 8 | 104 Ų | 104 | 5% | 0.049 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -72 | -29.8 | -178 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | P295 S296 P297 S302 A303 R313 | P295-T299 WeakPolarHBondContact CB-OG1 3.34Å; S296-T299 PolarHBondContact N-OG1 3.41Å; S296-T299 PolarHBondContact O-N 2.79Å; S296-T299 PolarHBondContact O-OG1 3.08Å; P297-T299 VanDerWaalsContact C-N 3.31Å; P297-T299 PolarHBondContact O-N 2.99Å; T299-S302 PolarHBondContact O-OG 2.8Å; T299-A303 WeakPolarHBondContact O-CB 3.39Å; T299-A303 PolarHBondContact O-N 3.38Å; T299-R313 VanDerWaalsContact CG2-CZ 3.46Å; T299-R313 VanDerWaalsContact CG2-NH1 3.28Å |
| 300 | I | 55.9 | Low | 50.9 | Low | 93 Ų | 93 | 97.8 Ų | 97.8 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.3 | -46.3 | 174.7 | -59.2 | 173.1 | 0 | 0 | 0 | 109.2 | P297 S302 A303 V304 | P297-I300 PolarHBondContact O-N 2.92Å; I300-S302 PolarHBondContact O-N 3.46Å; I300-A303 PolarHBondContact O-N 3.31Å; I300-V304 VanDerWaalsContact O-CG2 3.31Å; I300-V304 WeakPolarHBondContact O-CG2 3.18Å; I300-V304 PolarHBondContact O-N 3.03Å; I300-V304 VanDerWaalsContact O-N 3.13Å |
| 301 | F | 54.7 | Low | 52.4 | Low | 154 Ų | 154 | 95.5 Ų | 95.5 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 178.8 | -178.8 | -98.8 | 0 | 0 | 0 | 112.4 | P297 Y298 V304 S305 | P297-F301 PolarHBondContact O-N 3.4Å; Y298-F301 PolarHBondContact O-N 2.96Å; F301-V304 PolarHBondContact O-N 3.31Å; F301-S305 WeakPolarHBondContact O-CB 3.37Å; F301-S305 PolarHBondContact O-N 2.76Å; F301-S305 PolarHBondContact O-OG 3.48Å; F301-S305 VanDerWaalsContact O-OG 3.12Å |
| 302 | S | 51.9 | Low | 54.5 | Low | 35 Ų | 35 | 97.8 Ų | 97.8 | 25% | 0.245 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -72.9 | -28.3 | 179.2 | 59.2 | 0 | 0 | 0 | 0 | 114 | Y298 T299 I300 S305 S306 V311 | Y298-S302 WeakPolarHBondContact O-CB 3.14Å; Y298-S302 PolarHBondContact O-N 3.33Å; Y298-S302 PolarHBondContact O-OG 2.92Å; T299-S302 PolarHBondContact O-OG 2.8Å; I300-S302 PolarHBondContact O-N 3.46Å; S302-S305 WeakPolarHBondContact CA-OG 2.93Å; S302-S306 WeakPolarHBondContact O-CB 3.46Å; S302-S306 PolarHBondContact O-N 3.33Å; S302-V311 WeakPolarHBondContact OG-CG1 3.42Å |
| 303 | A | 54.6 | Low | 56.4 | Low | 15 Ų | 15 | 91.9 Ų | 91.9 | 12% | 0.124 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | T299 I300 V311 | T299-A303 WeakPolarHBondContact O-CB 3.39Å; T299-A303 PolarHBondContact O-N 3.38Å; I300-A303 PolarHBondContact O-N 3.31Å; A303-V311 HydrophobicContact CB-CG2 3.42Å; A303-V311 VanDerWaalsContact CB-CG2 3.42Å |
| 304 | V | 56.4 | Low | 58.6 | Low | 111 Ų | 111 | 92 Ų | 92 | 67% | 0.673 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.3 | -32.8 | -178.6 | 175.9 | 0 | 0 | 0 | 0 | 112 | I300 F301 | I300-V304 VanDerWaalsContact O-CG2 3.31Å; I300-V304 WeakPolarHBondContact O-CG2 3.18Å; I300-V304 PolarHBondContact O-N 3.03Å; I300-V304 VanDerWaalsContact O-N 3.13Å; F301-V304 PolarHBondContact O-N 3.31Å |
| 305 | S | 54.4 | Low | 60.8 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 51% | 0.51 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -87.1 | -8.1 | -178.3 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | F301 S302 | F301-S305 WeakPolarHBondContact O-CB 3.37Å; F301-S305 PolarHBondContact O-N 2.76Å; F301-S305 PolarHBondContact O-OG 3.48Å; F301-S305 VanDerWaalsContact O-OG 3.12Å; S302-S305 WeakPolarHBondContact CA-OG 2.93Å |
| 306 | S | 56.2 | Low | 62.6 | Low | 41 Ų | 41 | 85.2 Ų | 85.2 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | trans | -83.9 | 130.7 | -178.4 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | S302 S308 G309 L310 | S302-S306 WeakPolarHBondContact O-CB 3.46Å; S302-S306 PolarHBondContact O-N 3.33Å; S306-S308 PolarHBondContact O-N 2.94Å; S306-S308 VanDerWaalsContact O-N 3.08Å; S306-S308 PolarHBondContact OG-OG 2.83Å; S306-G309 PolarHBondContact O-N 3.29Å; S306-G309 VanDerWaalsContact O-N 3.1Å; S306-L310 WeakPolarHBondContact CB-O 3.44Å; S306-L310 PolarHBondContact OG-O 3.45Å | ||
| 307 | Y | 57.1 | Low | 64.3 | Low | 252 Ų | 252 | 86.3 Ų | 86.3 | 99% | 0.988 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24 | 177.1 | -83.1 | -88 | 0 | 0 | 0 | 113.9 | ||
| 308 | S | 64.5 | Low | 66.1 | Low | 73 Ų | 73 | 86.3 Ų | 86.3 | 51% | 0.51 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -0.7 | -178.8 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | S306 L310 | S306-S308 PolarHBondContact O-N 2.94Å; S306-S308 VanDerWaalsContact O-N 3.08Å; S306-S308 PolarHBondContact OG-OG 2.83Å; S308-L310 PolarHBondContact O-N 3.09Å; S308-L310 VanDerWaalsContact O-N 3.1Å |
| 309 | G | 62.8 | Low | 67.9 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 68.1 | -1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S306 | S306-G309 PolarHBondContact O-N 3.29Å; S306-G309 VanDerWaalsContact O-N 3.1Å |
| 310 | L | 66.6 | Low | 69.7 | Low | 46 Ų | 46 | 82.6 Ų | 82.6 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | trans | -83.6 | 133.9 | 177.3 | -67.7 | 163 | 0 | 0 | 0 | 110.6 | S306 S308 | S306-L310 WeakPolarHBondContact CB-O 3.44Å; S306-L310 PolarHBondContact OG-O 3.45Å; S308-L310 PolarHBondContact O-N 3.09Å; S308-L310 VanDerWaalsContact O-N 3.1Å | ||
| 311 | V | 69.4 | Low | 71.2 | Confident | 19 Ų | 19 | 80.7 Ų | 80.7 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | trans | -89 | 120.9 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | S302 A303 R313 | S302-V311 WeakPolarHBondContact OG-CG1 3.42Å; A303-V311 HydrophobicContact CB-CG2 3.42Å; A303-V311 VanDerWaalsContact CB-CG2 3.42Å; V311-R313 HydrophobicContact CB-CG 4.44Å; V311-R313 HydrophobicContact CG1-CG 4Å; V311-R313 PolarHBondContact O-N 3.1Å | ||
| 312 | Y | 76.5 | Confident | 72.9 | Confident | 185 Ų | 185 | 77.9 Ų | 77.9 | 73% | 0.725 | 41% | 0.412 | S | S | * | . | trans | -69.6 | 93.1 | 169.9 | -179.9 | -125 | 0 | 0 | 0 | 111 | W314 | Y312-W314 VanDerWaalsContact C-N 3.31Å; Y312-W314 HydrophobicContact CD1-CB 4.1Å; Y312-W314 HydrophobicContact CD1-CG 4.48Å; Y312-W314 HydrophobicContact CE1-CB 3.56Å; Y312-W314 HydrophobicContact CE1-CG 4.2Å; Y312-W314 HydrophobicContact CE2-CB 4.42Å; Y312-W314 PolarHBondContact O-N 3.36Å; Y312-W314 VanDerWaalsContact O-N 3.1Å | ||
| 313 | R | 78.4 | Confident | 74.6 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 12% | 0.121 | 41% | 0.406 | C | S | . | . | trans | -83.3 | 62.9 | 179.6 | -69.4 | -66.6 | -162.1 | 146.3 | 6.5 | 113.1 | T299 V311 D315 Y316 V317 | T299-R313 VanDerWaalsContact CG2-CZ 3.46Å; T299-R313 VanDerWaalsContact CG2-NH1 3.28Å; V311-R313 HydrophobicContact CB-CG 4.44Å; V311-R313 HydrophobicContact CG1-CG 4Å; V311-R313 PolarHBondContact O-N 3.1Å; R313-D315 VanDerWaalsContact CA-OD1 3.24Å; R313-D315 WeakPolarHBondContact CA-OD1 3.34Å; R313-D315 WeakPolarHBondContact CB-OD1 3.44Å; R313-D315 IonicContact NH1-OD2 3.56Å; R313-D315 PolarHBondContact O-N 3.42Å; R313-Y316 HydrophobicContact CB-CD2 3.61Å; R313-Y316 HydrophobicContact CB-CE2 4.32Å; R313-Y316 HydrophobicContact CB-CG 4.38Å; R313-Y316 HydrophobicContact CG-CD2 3.74Å; R313-Y316 HydrophobicContact CG-CE2 3.95Å; R313-Y316 PolarHBondContact NH1-OH 2.86Å; R313-Y316 PolarHBondContact O-N 3.32Å; R313-V317 PolarHBondContact O-N 3.46Å | ||
| 314 | W | 82.3 | Confident | 76.1 | Confident | 151 Ų | 151 | 79.5 Ų | 79.5 | 57% | 0.572 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.5 | -29 | 176.5 | 65.6 | -84.5 | 0 | 0 | 0 | 113 | Y312 V317 L318 | Y312-W314 VanDerWaalsContact C-N 3.31Å; Y312-W314 HydrophobicContact CD1-CB 4.1Å; Y312-W314 HydrophobicContact CD1-CG 4.48Å; Y312-W314 HydrophobicContact CE1-CB 3.56Å; Y312-W314 HydrophobicContact CE1-CG 4.2Å; Y312-W314 HydrophobicContact CE2-CB 4.42Å; Y312-W314 PolarHBondContact O-N 3.36Å; Y312-W314 VanDerWaalsContact O-N 3.1Å; W314-V317 PolarHBondContact O-N 3.25Å; W314-L318 HydrophobicContact CE3-CD1 3.45Å; W314-L318 VanDerWaalsContact CE3-CD1 3.45Å; W314-L318 HydrophobicContact CE3-CG 4.26Å; W314-L318 HydrophobicContact CZ3-CD1 3.54Å; W314-L318 WeakPolarHBondContact O-CG 3.25Å; W314-L318 PolarHBondContact O-N 3.08Å |
| 315 | D | 83.4 | Confident | 77.6 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 32% | 0.321 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 175 | 56 | -23.2 | 0 | 0 | 0 | 112.2 | R313 L319 | R313-D315 VanDerWaalsContact CA-OD1 3.24Å; R313-D315 WeakPolarHBondContact CA-OD1 3.34Å; R313-D315 WeakPolarHBondContact CB-OD1 3.44Å; R313-D315 IonicContact NH1-OD2 3.56Å; R313-D315 PolarHBondContact O-N 3.42Å; D315-L319 WeakPolarHBondContact O-CB 3.49Å; D315-L319 PolarHBondContact O-N 3.03Å |
| 316 | Y | 83.3 | Confident | 79.3 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 18% | 0.176 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 177.1 | -66.2 | -42.7 | 0 | 0 | 0 | 112.2 | L267 R313 L319 F320 | L267-Y316 HydrophobicContact CD1-CD1 3.73Å; L267-Y316 HydrophobicContact CD1-CE1 4.46Å; L267-Y316 HydrophobicContact CD1-CG 4.31Å; R313-Y316 HydrophobicContact CB-CD2 3.61Å; R313-Y316 HydrophobicContact CB-CE2 4.32Å; R313-Y316 HydrophobicContact CB-CG 4.38Å; R313-Y316 HydrophobicContact CG-CD2 3.74Å; R313-Y316 HydrophobicContact CG-CE2 3.95Å; R313-Y316 PolarHBondContact NH1-OH 2.86Å; R313-Y316 PolarHBondContact O-N 3.32Å; Y316-L319 PolarHBondContact O-N 3.27Å; Y316-F320 VanDerWaalsContact O-CB 3.28Å; Y316-F320 WeakPolarHBondContact O-CB 3.36Å; Y316-F320 PolarHBondContact O-N 3.47Å |
| 317 | V | 87.2 | Confident | 80.6 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | I271 R313 W314 F320 A321 | I271-V317 HydrophobicContact CD1-CG2 4.33Å; I271-V317 HydrophobicContact CG2-CG2 4.44Å; R313-V317 PolarHBondContact O-N 3.46Å; W314-V317 PolarHBondContact O-N 3.25Å; V317-F320 PolarHBondContact O-N 3.03Å; V317-A321 WeakPolarHBondContact O-CB 3.42Å; V317-A321 PolarHBondContact O-N 3.41Å |
| 318 | L | 89.4 | Confident | 81.7 | Confident | 106 Ų | 106 | 65.9 Ų | 65.9 | 56% | 0.555 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 176.1 | -74.1 | -176.6 | 0 | 0 | 0 | 112.1 | W314 F320 A321 L322 | W314-L318 HydrophobicContact CE3-CD1 3.45Å; W314-L318 VanDerWaalsContact CE3-CD1 3.45Å; W314-L318 HydrophobicContact CE3-CG 4.26Å; W314-L318 HydrophobicContact CZ3-CD1 3.54Å; W314-L318 WeakPolarHBondContact O-CG 3.25Å; W314-L318 PolarHBondContact O-N 3.08Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.38Å; L318-A321 PolarHBondContact O-N 2.65Å; L318-L322 WeakPolarHBondContact O-CB 3.43Å; L318-L322 PolarHBondContact O-N 2.92Å |
| 319 | L | 89.2 | Confident | 81.8 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 44% | 0.44 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 176.1 | -177.7 | 65.2 | 0 | 0 | 0 | 111 | L267 D315 Y316 L322 L323 | L267-L319 HydrophobicContact CD1-CD2 4.08Å; L267-L319 HydrophobicContact CD2-CB 3.84Å; L267-L319 HydrophobicContact CD2-CD2 3.75Å; L267-L319 HydrophobicContact CD2-CG 3.58Å; D315-L319 WeakPolarHBondContact O-CB 3.49Å; D315-L319 PolarHBondContact O-N 3.03Å; Y316-L319 PolarHBondContact O-N 3.27Å; L319-L322 PolarHBondContact O-N 3.33Å; L319-L323 WeakPolarHBondContact O-CG 3.36Å; L319-L323 PolarHBondContact O-N 3.33Å |
| 320 | F | 89 | Confident | 81.6 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.5 | 176.9 | -101.7 | 0 | 0 | 0 | 111.8 | L267 Y268 I271 Y316 V317 L318 L322 L323 R324 | L267-F320 HydrophobicContact CD2-CB 3.75Å; L267-F320 VanDerWaalsContact CD2-N 3.31Å; L267-F320 HydrophobicContact CG-CB 4.24Å; Y268-F320 HydrophobicContact CD2-CE2 4.49Å; Y268-F320 HydrophobicContact CD2-CZ 4.31Å; Y268-F320 HydrophobicContact CG-CE2 4.22Å; Y268-F320 HydrophobicContact CG-CZ 4.28Å; I271-F320 HydrophobicContact CD1-CB 3.76Å; I271-F320 HydrophobicContact CD1-CG 4.1Å; Y316-F320 VanDerWaalsContact O-CB 3.28Å; Y316-F320 WeakPolarHBondContact O-CB 3.36Å; Y316-F320 PolarHBondContact O-N 3.47Å; V317-F320 PolarHBondContact O-N 3.03Å; L318-F320 VanDerWaalsContact C-N 3.3Å; L318-F320 PolarHBondContact O-N 3.38Å; F320-L322 VanDerWaalsContact C-N 3.31Å; F320-L322 PolarHBondContact O-N 3.04Å; F320-L323 PolarHBondContact O-N 3.41Å; F320-R324 HydrophobicContact CD1-CG 4.15Å; F320-R324 HydrophobicContact CD2-CG 4.37Å; F320-R324 HydrophobicContact CE1-CG 3.82Å; F320-R324 HydrophobicContact CE2-CG 4.04Å; F320-R324 HydrophobicContact CG-CG 4.44Å; F320-R324 HydrophobicContact CZ-CG 3.79Å; F320-R324 WeakPolarHBondContact O-CB 3.4Å; F320-R324 VanDerWaalsContact O-CG 3.28Å; F320-R324 WeakPolarHBondContact O-CG 3.16Å; F320-R324 PolarHBondContact O-N 2.92Å |
| 321 | A | 88.6 | Confident | 80.9 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V317 L318 R324 L325 | V317-A321 WeakPolarHBondContact O-CB 3.42Å; V317-A321 PolarHBondContact O-N 3.41Å; L318-A321 PolarHBondContact O-N 2.65Å; A321-R324 PolarHBondContact O-N 2.95Å; A321-L325 WeakPolarHBondContact O-CB 3.49Å; A321-L325 PolarHBondContact O-N 2.98Å |
| 322 | L | 89.4 | Confident | 80 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.8 | -178.4 | 69.7 | 0 | 0 | 0 | 111.9 | L318 L319 F320 R324 L325 L326 | L318-L322 WeakPolarHBondContact O-CB 3.43Å; L318-L322 PolarHBondContact O-N 2.92Å; L319-L322 PolarHBondContact O-N 3.33Å; F320-L322 VanDerWaalsContact C-N 3.31Å; F320-L322 PolarHBondContact O-N 3.04Å; L322-R324 VanDerWaalsContact C-N 3.28Å; L322-R324 PolarHBondContact O-N 3.31Å; L322-L325 WeakPolarHBondContact O-CB 3.34Å; L322-L325 PolarHBondContact O-N 3.02Å; L322-L326 HydrophobicContact CG-CD1 4.39Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.27Å |
| 323 | L | 88.4 | Confident | 79.1 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 12% | 0.12 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.7 | -70.2 | 178.9 | 0 | 0 | 0 | 111.4 | V260 L267 L319 F320 L326 Q327 | V260-L323 HydrophobicContact CB-CD2 4.38Å; V260-L323 HydrophobicContact CG1-CB 4.16Å; V260-L323 HydrophobicContact CG1-CD2 4Å; V260-L323 VanDerWaalsContact CG1-O 3.29Å; V260-L323 WeakPolarHBondContact CG1-O 3.47Å; V260-L323 HydrophobicContact CG2-CD2 3.95Å; L267-L323 HydrophobicContact CD2-CD1 3.78Å; L319-L323 WeakPolarHBondContact O-CG 3.36Å; L319-L323 PolarHBondContact O-N 3.33Å; F320-L323 PolarHBondContact O-N 3.41Å; L323-L326 PolarHBondContact O-N 3.08Å; L323-Q327 VanDerWaalsContact O-CB 3.27Å; L323-Q327 WeakPolarHBondContact O-CB 3.49Å; L323-Q327 PolarHBondContact O-N 3.24Å |
| 324 | R | 86.7 | Confident | 78.5 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 23% | 0.226 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 175.1 | -73 | -61.7 | -171.6 | 179.8 | 5.1 | 112.8 | S264 F320 A321 L322 G328 | S264-R324 PolarHBondContact OG-NE 3.43Å; S264-R324 VanDerWaalsContact OG-NE 3.14Å; F320-R324 HydrophobicContact CD1-CG 4.15Å; F320-R324 HydrophobicContact CD2-CG 4.37Å; F320-R324 HydrophobicContact CE1-CG 3.82Å; F320-R324 HydrophobicContact CE2-CG 4.04Å; F320-R324 HydrophobicContact CG-CG 4.44Å; F320-R324 HydrophobicContact CZ-CG 3.79Å; F320-R324 WeakPolarHBondContact O-CB 3.4Å; F320-R324 VanDerWaalsContact O-CG 3.28Å; F320-R324 WeakPolarHBondContact O-CG 3.16Å; F320-R324 PolarHBondContact O-N 2.92Å; A321-R324 PolarHBondContact O-N 2.95Å; L322-R324 VanDerWaalsContact C-N 3.28Å; L322-R324 PolarHBondContact O-N 3.31Å; R324-G328 WeakPolarHBondContact O-CA 3.38Å; R324-G328 PolarHBondContact O-N 2.93Å |
| 325 | L | 87.9 | Confident | 78.6 | Confident | 103 Ų | 103 | 65.3 Ų | 65.3 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 172.3 | -174.5 | 158 | 0 | 0 | 0 | 111.3 | A321 L322 L336 | A321-L325 WeakPolarHBondContact O-CB 3.49Å; A321-L325 PolarHBondContact O-N 2.98Å; L322-L325 WeakPolarHBondContact O-CB 3.34Å; L322-L325 PolarHBondContact O-N 3.02Å; L325-L336 HydrophobicContact CD2-CB 3.93Å; L325-L336 HydrophobicContact CD2-CD2 3.86Å; L325-L336 HydrophobicContact CD2-CG 4.5Å; L325-L336 PolarHBondContact O-N 3.26Å |
| 326 | L | 88.4 | Confident | 78.8 | Confident | 45 Ų | 45 | 66.3 Ų | 66.3 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 178.3 | -70.1 | 174.4 | 0 | 0 | 0 | 112.6 | V260 L322 L323 G335 L336 I337 | V260-L326 HydrophobicContact CG1-CB 4.17Å; V260-L326 HydrophobicContact CG2-CB 4.38Å; V260-L326 HydrophobicContact CG2-CD1 4.3Å; L322-L326 HydrophobicContact CG-CD1 4.39Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 3.27Å; L323-L326 PolarHBondContact O-N 3.08Å; L326-G335 CarbonylContact O-C 3.49Å; L326-G335 WeakPolarHBondContact O-CA 3.49Å; L326-L336 HydrophobicContact CD2-CB 4.43Å; L326-L336 HydrophobicContact CD2-CD2 4.18Å; L326-L336 PolarHBondContact O-N 2.72Å; L326-I337 HydrophobicContact CB-CD1 3.86Å; L326-I337 HydrophobicContact CB-CG1 4.08Å; L326-I337 HydrophobicContact CD2-CD1 4.35Å; L326-I337 HydrophobicContact CD2-CG1 4.01Å; L326-I337 PolarHBondContact O-N 3.26Å |
| 327 | Q | 83.8 | Confident | 79 | Confident | 35 Ų | 35 | 65 Ų | 65 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.9 | -42 | 179.5 | -177.5 | 174.5 | 37.4 | 0 | 0 | 113.2 | V260 N261 L323 G335 | V260-Q327 HydrophobicContact CG1-CB 3.85Å; N261-Q327 VanDerWaalsContact OD1-CG 3.3Å; N261-Q327 WeakPolarHBondContact OD1-CG 3.07Å; N261-Q327 PolarHBondContact OD1-NE2 2.97Å; L323-Q327 VanDerWaalsContact O-CB 3.27Å; L323-Q327 WeakPolarHBondContact O-CB 3.49Å; L323-Q327 PolarHBondContact O-N 3.24Å; Q327-G335 VanDerWaalsContact C-CA 3.43Å; Q327-G335 WeakPolarHBondContact O-CA 3.42Å; Q327-G335 PolarHBondContact O-N 3.19Å |
| 328 | G | 79.7 | Confident | 79 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 9% | 0.093 | 40% | 0.395 | C | S | . | . | trans | 89.6 | 155.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R324 G330 G335 | R324-G328 WeakPolarHBondContact O-CA 3.38Å; R324-G328 PolarHBondContact O-N 2.93Å; G328-G330 PolarHBondContact O-N 3.15Å; G328-G335 VanDerWaalsContact CA-CA 3.5Å; G328-G335 VanDerWaalsContact N-CA 3.32Å | ||
| 329 | L | 67.5 | Low | 79 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 60% | 0.602 | 38% | 0.383 | S | S | * | . | trans | -79 | 114.6 | 169.7 | -83.7 | 75.7 | 0 | 0 | 0 | 107.4 | G331 L332 | L329-G331 PolarHBondContact O-N 3.2Å; L329-L332 PolarHBondContact O-N 3.17Å | ||
| 330 | G | 57.7 | Low | 79.1 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 16.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | G328 S553 | G328-G330 PolarHBondContact O-N 3.15Å; G330-S553 PolarHBondContact O-OG 3.2Å |
| 331 | G | 52.3 | Low | 79.2 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148 | -11.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L329 | L329-G331 PolarHBondContact O-N 3.2Š|
| 332 | L | 50.9 | Low | 79.3 | Confident | 162 Ų | 162 | 60.7 Ų | 60.7 | 85% | 0.848 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -15.1 | -172 | -67.6 | 175.5 | 0 | 0 | 0 | 114.7 | L329 | L329-L332 PolarHBondContact O-N 3.17Š|
| 333 | G | 56.8 | Low | 79.4 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | trans | -176.3 | 153.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G335 | G333-G335 PolarHBondContact O-N 2.82Š| ||
| 334 | A | 67.5 | Low | 79.5 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | trans | -64.3 | 121.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S338 | A334-S338 VanDerWaalsContact C-OG 3.28Å; A334-S338 WeakPolarHBondContact CA-OG 3.3Å; A334-S338 VanDerWaalsContact CB-OG 3.27Å; A334-S338 WeakPolarHBondContact CB-OG 3.34Å | ||
| 335 | G | 82.7 | Confident | 79.7 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | trans | -59.9 | 160.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L326 Q327 G328 G333 I337 S338 A339 | L326-G335 CarbonylContact O-C 3.49Å; L326-G335 WeakPolarHBondContact O-CA 3.49Å; Q327-G335 VanDerWaalsContact C-CA 3.43Å; Q327-G335 WeakPolarHBondContact O-CA 3.42Å; Q327-G335 PolarHBondContact O-N 3.19Å; G328-G335 VanDerWaalsContact CA-CA 3.5Å; G328-G335 VanDerWaalsContact N-CA 3.32Å; G333-G335 PolarHBondContact O-N 2.82Å; G335-I337 PolarHBondContact O-N 3.25Å; G335-I337 VanDerWaalsContact O-N 3.11Å; G335-S338 PolarHBondContact N-OG 3.28Å; G335-S338 WeakPolarHBondContact O-CA 3.46Å; G335-S338 PolarHBondContact O-N 3.45Å; G335-S338 PolarHBondContact O-OG 2.91Å; G335-A339 PolarHBondContact O-N 3.48Å | ||
| 336 | L | 87.8 | Confident | 79.8 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.4 | -38 | -176.1 | -175.9 | 66.2 | 0 | 0 | 0 | 112.7 | L325 L326 A339 L340 | L325-L336 HydrophobicContact CD2-CB 3.93Å; L325-L336 HydrophobicContact CD2-CD2 3.86Å; L325-L336 HydrophobicContact CD2-CG 4.5Å; L325-L336 PolarHBondContact O-N 3.26Å; L326-L336 HydrophobicContact CD2-CB 4.43Å; L326-L336 HydrophobicContact CD2-CD2 4.18Å; L326-L336 PolarHBondContact O-N 2.72Å; L336-A339 PolarHBondContact O-N 3.14Å; L336-L340 HydrophobicContact CD1-CD1 4.46Å; L336-L340 HydrophobicContact CD1-CG 4.37Å; L336-L340 HydrophobicContact CG-CD1 4.1Å; L336-L340 HydrophobicContact CG-CG 4.42Å; L336-L340 WeakPolarHBondContact O-CB 3.27Å; L336-L340 VanDerWaalsContact O-CG 3.31Å; L336-L340 WeakPolarHBondContact O-CG 3.48Å; L336-L340 PolarHBondContact O-N 3.28Å |
| 337 | I | 89.2 | Confident | 79.9 | Confident | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.092 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 177.2 | -65.9 | 178.4 | 0 | 0 | 0 | 110.8 | L253 A256 V260 L326 G335 A339 R341 | L253-I337 HydrophobicContact CB-CG2 4.1Å; L253-I337 HydrophobicContact CD2-CG2 4.3Å; L253-I337 WeakPolarHBondContact O-CG2 3.46Å; A256-I337 HydrophobicContact CB-CD1 4.49Å; V260-I337 HydrophobicContact CB-CD1 4.48Å; V260-I337 HydrophobicContact CG2-CD1 3.83Å; L326-I337 HydrophobicContact CB-CD1 3.86Å; L326-I337 HydrophobicContact CB-CG1 4.08Å; L326-I337 HydrophobicContact CD2-CD1 4.35Å; L326-I337 HydrophobicContact CD2-CG1 4.01Å; L326-I337 PolarHBondContact O-N 3.26Å; G335-I337 PolarHBondContact O-N 3.25Å; G335-I337 VanDerWaalsContact O-N 3.11Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-R341 VanDerWaalsContact O-CB 3.29Å; I337-R341 WeakPolarHBondContact O-CB 3.21Å; I337-R341 PolarHBondContact O-N 3.01Å |
| 338 | S | 87 | Confident | 80 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.1 | -34.1 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | A334 G335 S342 | A334-S338 VanDerWaalsContact C-OG 3.28Å; A334-S338 WeakPolarHBondContact CA-OG 3.3Å; A334-S338 VanDerWaalsContact CB-OG 3.27Å; A334-S338 WeakPolarHBondContact CB-OG 3.34Å; G335-S338 PolarHBondContact N-OG 3.28Å; G335-S338 WeakPolarHBondContact O-CA 3.46Å; G335-S338 PolarHBondContact O-N 3.45Å; G335-S338 PolarHBondContact O-OG 2.91Å; S338-S342 PolarHBondContact O-N 3.44Å; S338-S342 PolarHBondContact O-OG 3.47Å |
| 339 | A | 89.5 | Confident | 80.4 | Confident | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G335 L336 I337 R341 S342 Q343 | G335-A339 PolarHBondContact O-N 3.48Å; L336-A339 PolarHBondContact O-N 3.14Å; I337-A339 VanDerWaalsContact C-N 3.33Å; A339-R341 VanDerWaalsContact C-N 3.32Å; A339-R341 PolarHBondContact O-N 3.47Å; A339-S342 WeakPolarHBondContact CA-OG 3.36Å; A339-S342 PolarHBondContact O-N 3.11Å; A339-S342 PolarHBondContact O-OG 3.24Å; A339-Q343 WeakPolarHBondContact O-CB 3.37Å; A339-Q343 PolarHBondContact O-N 3.16Å |
| 340 | L | 91.3 | Very high | 81.5 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.1 | -73 | 173.2 | 0 | 0 | 0 | 111.2 | L253 L336 Q343 L344 | L253-L340 HydrophobicContact CD1-CB 4.07Å; L336-L340 HydrophobicContact CD1-CD1 4.46Å; L336-L340 HydrophobicContact CD1-CG 4.37Å; L336-L340 HydrophobicContact CG-CD1 4.1Å; L336-L340 HydrophobicContact CG-CG 4.42Å; L336-L340 WeakPolarHBondContact O-CB 3.27Å; L336-L340 VanDerWaalsContact O-CG 3.31Å; L336-L340 WeakPolarHBondContact O-CG 3.48Å; L336-L340 PolarHBondContact O-N 3.28Å; L340-Q343 PolarHBondContact O-N 3.46Å; L340-L344 WeakPolarHBondContact O-CG 3.47Å; L340-L344 PolarHBondContact O-N 3.5Å |
| 341 | R | 90.9 | Very high | 82.9 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.2 | -175.5 | -169.6 | 63.3 | 71.3 | 0.1 | 111.2 | C250 L253 I337 A339 Q343 L344 W345 F400 | C250-R341 HydrophobicContact CB-CG 4.12Å; L253-R341 HydrophobicContact CB-CB 4.24Å; L253-R341 HydrophobicContact CD1-CB 4.03Å; I337-R341 VanDerWaalsContact O-CB 3.29Å; I337-R341 WeakPolarHBondContact O-CB 3.21Å; I337-R341 PolarHBondContact O-N 3.01Å; A339-R341 VanDerWaalsContact C-N 3.32Å; A339-R341 PolarHBondContact O-N 3.47Å; R341-Q343 VanDerWaalsContact C-N 3.27Å; R341-Q343 PolarHBondContact O-N 2.88Å; R341-L344 PolarHBondContact O-N 3.38Å; R341-W345 WeakPolarHBondContact O-CB 3.29Å; R341-W345 PolarHBondContact O-N 3.21Å; R341-F400 HydrophobicContact CG-CE1 4.35Å; R341-F400 VanDerWaalsContact NH1-CE2 3.32Å |
| 342 | S | 89.6 | Confident | 84.4 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | S338 A339 W345 I346 | S338-S342 PolarHBondContact O-N 3.44Å; S338-S342 PolarHBondContact O-OG 3.47Å; A339-S342 WeakPolarHBondContact CA-OG 3.36Å; A339-S342 PolarHBondContact O-N 3.11Å; A339-S342 PolarHBondContact O-OG 3.24Å; S342-W345 WeakPolarHBondContact O-CB 3.43Å; S342-W345 PolarHBondContact O-N 3.26Å; S342-I346 WeakPolarHBondContact O-CG1 3.39Å; S342-I346 PolarHBondContact O-N 2.87Å |
| 343 | Q | 91.5 | Very high | 86.1 | Confident | 131 Ų | 131 | 49.4 Ų | 49.4 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 177.5 | -172.9 | 62.3 | 14.8 | 0 | 0 | 112.6 | A339 L340 R341 W345 | A339-Q343 WeakPolarHBondContact O-CB 3.37Å; A339-Q343 PolarHBondContact O-N 3.16Å; L340-Q343 PolarHBondContact O-N 3.46Å; R341-Q343 VanDerWaalsContact C-N 3.27Å; R341-Q343 PolarHBondContact O-N 2.88Å; Q343-W345 VanDerWaalsContact C-N 3.29Å; Q343-W345 PolarHBondContact O-N 3.04Å |
| 344 | L | 90.5 | Very high | 87.7 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 175.5 | -68.8 | 173.9 | 0 | 0 | 0 | 112.2 | R246 L253 L340 R341 | R246-L344 HydrophobicContact CG-CD2 4.36Å; L253-L344 HydrophobicContact CD1-CD1 3.75Å; L340-L344 WeakPolarHBondContact O-CG 3.47Å; L340-L344 PolarHBondContact O-N 3.5Å; R341-L344 PolarHBondContact O-N 3.38Å |
| 345 | W | 90.7 | Very high | 88.5 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 10% | 0.095 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.9 | -36.6 | -179.1 | -172.1 | -107.4 | 0 | 0 | 0 | 113.7 | V247 R341 S342 Q343 A347 V348 D349 L395 S396 F400 | V247-W345 HydrophobicContact CG2-CZ3 4.48Å; R341-W345 WeakPolarHBondContact O-CB 3.29Å; R341-W345 PolarHBondContact O-N 3.21Å; S342-W345 WeakPolarHBondContact O-CB 3.43Å; S342-W345 PolarHBondContact O-N 3.26Å; Q343-W345 VanDerWaalsContact C-N 3.29Å; Q343-W345 PolarHBondContact O-N 3.04Å; W345-A347 PolarHBondContact O-N 3.23Å; W345-A347 VanDerWaalsContact O-N 3.1Å; W345-V348 HydrophobicContact CE3-CB 4.17Å; W345-V348 HydrophobicContact CE3-CG1 4.38Å; W345-V348 HydrophobicContact CE3-CG2 4.41Å; W345-V348 HydrophobicContact CH2-CB 4.35Å; W345-V348 HydrophobicContact CH2-CG1 3.79Å; W345-V348 HydrophobicContact CZ2-CG1 4.5Å; W345-V348 HydrophobicContact CZ3-CB 4.09Å; W345-V348 HydrophobicContact CZ3-CG1 3.79Å; W345-V348 HydrophobicContact CZ3-CG2 4.46Å; W345-V348 WeakPolarHBondContact O-CB 3.17Å; W345-V348 PolarHBondContact O-N 2.85Å; W345-D349 PolarHBondContact O-N 3.38Å; W345-L395 HydrophobicContact CH2-CD2 3.24Å; W345-L395 HydrophobicContact CH2-CG 4.08Å; W345-L395 HydrophobicContact CZ2-CD2 3.72Å; W345-L395 HydrophobicContact CZ2-CG 4.32Å; W345-L395 HydrophobicContact CZ3-CD2 4.31Å; W345-S396 PolarHBondContact NE1-OG 3.26Å; W345-F400 AromaticContact CD2-CE2 3.57Å; W345-F400 HydrophobicContact CD2-CE2 3.57Å; W345-F400 AromaticContact CD2-CZ 3.95Å; W345-F400 HydrophobicContact CD2-CZ 3.95Å; W345-F400 AromaticContact CE2-CE2 3.87Å; W345-F400 AromaticContact CE3-CE2 3.7Å; W345-F400 HydrophobicContact CE3-CE2 3.7Å; W345-F400 AromaticContact CE3-CZ 3.59Å; W345-F400 HydrophobicContact CE3-CZ 3.59Å; W345-F400 HydrophobicContact CG-CE2 4.02Å; W345-F400 HydrophobicContact CZ2-CE2 4.35Å; W345-F400 HydrophobicContact CZ3-CE2 4.19Å; W345-F400 HydrophobicContact CZ3-CZ 4.01Å |
| 346 | I | 91.2 | Very high | 88.7 | Confident | 73 Ų | 73 | 54.8 Ų | 54.8 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -49.2 | -44 | -176.1 | -71.9 | 164.8 | 0 | 0 | 0 | 112.3 | S342 D349 Q350 | S342-I346 WeakPolarHBondContact O-CG1 3.39Å; S342-I346 PolarHBondContact O-N 2.87Å; I346-D349 PolarHBondContact O-N 3.19Å; I346-Q350 HydrophobicContact CG2-CG 4.38Å; I346-Q350 WeakPolarHBondContact O-CB 3.36Å; I346-Q350 VanDerWaalsContact O-CG 3.31Å; I346-Q350 WeakPolarHBondContact O-CG 3.45Å; I346-Q350 PolarHBondContact O-N 3.15Å |
| 347 | A | 89.4 | Confident | 88.8 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 21% | 0.207 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.3 | -30.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W345 F351 | W345-A347 PolarHBondContact O-N 3.23Å; W345-A347 VanDerWaalsContact O-N 3.1Å; A347-F351 VanDerWaalsContact O-CB 3.3Å; A347-F351 WeakPolarHBondContact O-CB 3.47Å; A347-F351 PolarHBondContact O-N 3.35Å; A347-F351 VanDerWaalsContact O-N 3.1Å |
| 348 | V | 86.5 | Confident | 88.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | I243 R246 V247 W345 S352 | I243-V348 HydrophobicContact CG2-CG1 4.3Å; I243-V348 HydrophobicContact CG2-CG2 4.23Å; R246-V348 HydrophobicContact CB-CG2 4.19Å; V247-V348 HydrophobicContact CG2-CB 4.38Å; V247-V348 HydrophobicContact CG2-CG1 3.74Å; V247-V348 HydrophobicContact CG2-CG2 3.71Å; W345-V348 HydrophobicContact CE3-CB 4.17Å; W345-V348 HydrophobicContact CE3-CG1 4.38Å; W345-V348 HydrophobicContact CE3-CG2 4.41Å; W345-V348 HydrophobicContact CH2-CB 4.35Å; W345-V348 HydrophobicContact CH2-CG1 3.79Å; W345-V348 HydrophobicContact CZ2-CG1 4.5Å; W345-V348 HydrophobicContact CZ3-CB 4.09Å; W345-V348 HydrophobicContact CZ3-CG1 3.79Å; W345-V348 HydrophobicContact CZ3-CG2 4.46Å; W345-V348 WeakPolarHBondContact O-CB 3.17Å; W345-V348 PolarHBondContact O-N 2.85Å; V348-S352 WeakPolarHBondContact O-CB 3.24Å; V348-S352 PolarHBondContact O-N 3.45Å; V348-S352 PolarHBondContact O-OG 3.47Å |
| 349 | D | 88.2 | Confident | 88.9 | Confident | 48 Ų | 48 | 57 Ų | 57 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -55.1 | 175.8 | -179.7 | 78.1 | 0 | 0 | 0 | 111.7 | W345 I346 F351 S352 T353 S392 | W345-D349 PolarHBondContact O-N 3.38Å; I346-D349 PolarHBondContact O-N 3.19Å; D349-F351 VanDerWaalsContact C-N 3.34Å; D349-F351 PolarHBondContact O-N 3.33Å; D349-S352 PolarHBondContact O-N 3.26Å; D349-T353 PolarHBondContact O-N 3.26Å; D349-T353 PolarHBondContact O-OG1 2.93Å; D349-T353 VanDerWaalsContact O-OG1 3.09Å; D349-S392 WeakPolarHBondContact OD1-CB 3.34Å; D349-S392 PolarHBondContact OD1-OG 2.66Å |
| 350 | Q | 90.2 | Very high | 88.9 | Confident | 127 Ų | 127 | 55.2 Ų | 55.2 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.4 | -40.9 | 179.7 | -74.2 | 177.3 | -11.1 | 0 | 0 | 113.4 | I346 R354 | I346-Q350 HydrophobicContact CG2-CG 4.38Å; I346-Q350 WeakPolarHBondContact O-CB 3.36Å; I346-Q350 VanDerWaalsContact O-CG 3.31Å; I346-Q350 WeakPolarHBondContact O-CG 3.45Å; I346-Q350 PolarHBondContact O-N 3.15Å; Q350-R354 WeakPolarHBondContact O-CB 3.45Å; Q350-R354 PolarHBondContact O-N 3.45Å |
| 351 | F | 87 | Confident | 88.9 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | 177.2 | 175 | -96.2 | 0 | 0 | 0 | 111.2 | P237 I243 A347 D349 R354 E355 | P237-F351 HydrophobicContact CB-CE1 3.91Å; P237-F351 HydrophobicContact CB-CZ 4.27Å; P237-F351 HydrophobicContact CG-CD1 4.27Å; P237-F351 HydrophobicContact CG-CE1 3.72Å; P237-F351 HydrophobicContact CG-CZ 4.36Å; I243-F351 HydrophobicContact CD1-CB 3.77Å; I243-F351 HydrophobicContact CD1-CD1 3.48Å; I243-F351 VanDerWaalsContact CD1-CD1 3.48Å; I243-F351 HydrophobicContact CD1-CD2 3.69Å; I243-F351 HydrophobicContact CD1-CE1 3.99Å; I243-F351 HydrophobicContact CD1-CE2 4.18Å; I243-F351 HydrophobicContact CD1-CG 3.31Å; I243-F351 HydrophobicContact CD1-CZ 4.31Å; A347-F351 VanDerWaalsContact O-CB 3.3Å; A347-F351 WeakPolarHBondContact O-CB 3.47Å; A347-F351 PolarHBondContact O-N 3.35Å; A347-F351 VanDerWaalsContact O-N 3.1Å; D349-F351 VanDerWaalsContact C-N 3.34Å; D349-F351 PolarHBondContact O-N 3.33Å; F351-R354 PolarHBondContact O-N 3.23Å; F351-E355 WeakPolarHBondContact O-CB 3.49Å; F351-E355 PolarHBondContact O-N 2.91Å |
| 352 | S | 84.1 | Confident | 89 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | -178.4 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | F234 V348 D349 R354 L356 | F234-S352 PolarHBondContact O-OG 3.2Å; V348-S352 WeakPolarHBondContact O-CB 3.24Å; V348-S352 PolarHBondContact O-N 3.45Å; V348-S352 PolarHBondContact O-OG 3.47Å; D349-S352 PolarHBondContact O-N 3.26Å; S352-R354 PolarHBondContact O-N 3.44Å; S352-L356 WeakPolarHBondContact O-CB 3.39Å; S352-L356 WeakPolarHBondContact O-CD1 3.44Å; S352-L356 WeakPolarHBondContact O-CG 3.2Å; S352-L356 PolarHBondContact O-N 2.98Å; S352-L356 VanDerWaalsContact O-N 3.15Å |
| 353 | T | 87.4 | Confident | 89 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | D349 S357 | D349-T353 PolarHBondContact O-N 3.26Å; D349-T353 PolarHBondContact O-OG1 2.93Å; D349-T353 VanDerWaalsContact O-OG1 3.09Å; T353-S357 VanDerWaalsContact O-CB 3.3Å; T353-S357 WeakPolarHBondContact O-CB 3.17Å; T353-S357 PolarHBondContact O-N 3.05Å; T353-S357 PolarHBondContact O-OG 2.98Å |
| 354 | R | 89 | Confident | 89 | Confident | 151 Ų | 151 | 52.9 Ų | 52.9 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.6 | -49.9 | -179.9 | -175.7 | -172.6 | 69.8 | 178.4 | 1.8 | 112.4 | Q350 F351 S352 L356 S357 V358 | Q350-R354 WeakPolarHBondContact O-CB 3.45Å; Q350-R354 PolarHBondContact O-N 3.45Å; F351-R354 PolarHBondContact O-N 3.23Å; S352-R354 PolarHBondContact O-N 3.44Å; R354-L356 VanDerWaalsContact C-N 3.31Å; R354-L356 PolarHBondContact O-N 3.27Å; R354-S357 PolarHBondContact O-N 3.3Å; R354-V358 HydrophobicContact CG-CG2 4.45Å; R354-V358 WeakPolarHBondContact O-CG2 3.47Å; R354-V358 PolarHBondContact O-N 2.71Å |
| 355 | E | 85.6 | Confident | 89.1 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | -176 | -167.2 | 67.6 | -168.1 | 0 | 0 | 110.9 | F234 F351 M359 | F234-E355 HydrophobicContact CD1-CG 4.11Å; F234-E355 HydrophobicContact CE1-CG 4.27Å; F351-E355 WeakPolarHBondContact O-CB 3.49Å; F351-E355 PolarHBondContact O-N 2.91Å; E355-M359 VanDerWaalsContact O-CB 3.3Å; E355-M359 WeakPolarHBondContact O-CB 3.45Å; E355-M359 PolarHBondContact O-N 3.17Å |
| 356 | L | 85.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 177 | -71.9 | 167.5 | 0 | 0 | 0 | 112.2 | F234 S352 R354 V358 M359 L360 T388 I391 | F234-L356 HydrophobicContact CB-CD1 4.35Å; F234-L356 HydrophobicContact CB-CD2 4.39Å; F234-L356 HydrophobicContact CB-CG 4.32Å; F234-L356 HydrophobicContact CD1-CD2 3.61Å; F234-L356 HydrophobicContact CD1-CG 3.89Å; F234-L356 HydrophobicContact CD2-CD2 3.84Å; F234-L356 HydrophobicContact CE1-CD2 3.71Å; F234-L356 HydrophobicContact CE1-CG 4.37Å; F234-L356 HydrophobicContact CE2-CD2 3.92Å; F234-L356 HydrophobicContact CG-CD1 4.5Å; F234-L356 HydrophobicContact CG-CD2 3.67Å; F234-L356 HydrophobicContact CG-CG 4.04Å; F234-L356 HydrophobicContact CZ-CD2 3.85Å; S352-L356 WeakPolarHBondContact O-CB 3.39Å; S352-L356 WeakPolarHBondContact O-CD1 3.44Å; S352-L356 WeakPolarHBondContact O-CG 3.2Å; S352-L356 PolarHBondContact O-N 2.98Å; S352-L356 VanDerWaalsContact O-N 3.15Å; R354-L356 VanDerWaalsContact C-N 3.31Å; R354-L356 PolarHBondContact O-N 3.27Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 3.47Å; L356-M359 HydrophobicContact CD2-CE 4.05Å; L356-M359 PolarHBondContact O-N 3Å; L356-L360 WeakPolarHBondContact O-CB 3.38Å; L356-L360 WeakPolarHBondContact O-CG 3.26Å; L356-L360 PolarHBondContact O-N 3.37Å; L356-T388 HydrophobicContact CB-CG2 3.81Å; L356-I391 HydrophobicContact CD1-CB 4.37Å; L356-I391 HydrophobicContact CD1-CD1 3.53Å; L356-I391 HydrophobicContact CD1-CG2 4.05Å |
| 357 | S | 90 | Very high | 89.1 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.2 | -68.6 | 0 | 0 | 0 | 0 | 111.8 | T353 R354 F361 T388 | T353-S357 VanDerWaalsContact O-CB 3.3Å; T353-S357 WeakPolarHBondContact O-CB 3.17Å; T353-S357 PolarHBondContact O-N 3.05Å; T353-S357 PolarHBondContact O-OG 2.98Å; R354-S357 PolarHBondContact O-N 3.3Å; S357-F361 WeakPolarHBondContact O-CB 3.3Å; S357-F361 PolarHBondContact O-N 3.02Å; S357-T388 WeakPolarHBondContact OG-CG2 3.37Å; S357-T388 PolarHBondContact OG-OG1 3.36Å |
| 358 | V | 90.4 | Very high | 89.2 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | R354 L356 F361 K362 | R354-V358 HydrophobicContact CG-CG2 4.45Å; R354-V358 WeakPolarHBondContact O-CG2 3.47Å; R354-V358 PolarHBondContact O-N 2.71Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 3.47Å; V358-F361 PolarHBondContact O-N 3.35Å; V358-K362 WeakPolarHBondContact O-CB 3.43Å; V358-K362 PolarHBondContact O-N 2.89Å |
| 359 | M | 87.6 | Confident | 89.3 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 33% | 0.325 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 177.1 | -177.1 | -82.9 | -69.5 | 0 | 0 | 111.7 | F234 E355 L356 K362 H363 L579 | F234-M359 HydrophobicContact CZ-CE 4.38Å; E355-M359 VanDerWaalsContact O-CB 3.3Å; E355-M359 WeakPolarHBondContact O-CB 3.45Å; E355-M359 PolarHBondContact O-N 3.17Å; L356-M359 HydrophobicContact CD2-CE 4.05Å; L356-M359 PolarHBondContact O-N 3Å; M359-K362 PolarHBondContact O-N 2.91Å; M359-H363 PolarHBondContact O-N 3.43Å; M359-L579 HydrophobicContact CE-CD1 3.98Å; M359-L579 HydrophobicContact CE-CD2 3.76Å; M359-L579 HydrophobicContact SD-CD2 3.5Å; M359-L579 VanDerWaalsContact SD-CD2 3.5Å |
| 360 | L | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.3 | -82.5 | 159.3 | 0 | 0 | 0 | 111.9 | L356 K362 H363 I364 M384 T388 M575 L578 L579 | L356-L360 WeakPolarHBondContact O-CB 3.38Å; L356-L360 WeakPolarHBondContact O-CG 3.26Å; L356-L360 PolarHBondContact O-N 3.37Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.27Å; L360-H363 CarbonylContact O-C 3.18Å; L360-H363 WeakPolarHBondContact O-CA 3.35Å; L360-H363 WeakPolarHBondContact O-CB 3.47Å; L360-H363 PolarHBondContact O-N 3.06Å; L360-H363 VanDerWaalsContact O-N 3.08Å; L360-I364 VanDerWaalsContact O-CG1 3.28Å; L360-I364 WeakPolarHBondContact O-CG1 3.2Å; L360-I364 PolarHBondContact O-N 2.88Å; L360-M384 HydrophobicContact CB-CG 3.9Å; L360-M384 HydrophobicContact CB-SD 4.26Å; L360-M384 HydrophobicContact CD1-CG 4.04Å; L360-T388 HydrophobicContact CD1-CG2 3.36Å; L360-M575 HydrophobicContact CD1-CG 3.67Å; L360-M575 HydrophobicContact CD1-SD 3.67Å; L360-M575 HydrophobicContact CD2-CG 3.93Å; L360-M575 HydrophobicContact CG-CG 4.44Å; L360-L578 HydrophobicContact CD2-CD2 4.5Å; L360-L579 HydrophobicContact CD2-CD1 3.93Å; L360-L579 HydrophobicContact CD2-CD2 3.43Å; L360-L579 VanDerWaalsContact CD2-CD2 3.43Å; L360-L579 HydrophobicContact CD2-CG 3.43Å; L360-L579 VanDerWaalsContact CD2-CG 3.43Å; L360-L579 HydrophobicContact CG-CD2 4.07Å; L360-L579 HydrophobicContact CG-CG 4.38Å |
| 361 | F | 92.5 | Very high | 89.5 | Confident | 100 Ų | 100 | 58.7 Ų | 58.7 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 178.7 | -174.8 | -109.8 | 0 | 0 | 0 | 111.7 | S357 V358 H363 I364 Q365 M384 | S357-F361 WeakPolarHBondContact O-CB 3.3Å; S357-F361 PolarHBondContact O-N 3.02Å; V358-F361 PolarHBondContact O-N 3.35Å; F361-H363 VanDerWaalsContact C-N 3.31Å; F361-H363 PolarHBondContact O-N 2.97Å; F361-I364 PolarHBondContact O-N 3.29Å; F361-Q365 HydrophobicContact CE1-CG 4.4Å; F361-Q365 HydrophobicContact CZ-CG 4.46Å; F361-Q365 WeakPolarHBondContact O-CG 3.39Å; F361-Q365 PolarHBondContact O-N 3.05Å; F361-M384 HydrophobicContact CB-SD 4.26Å |
| 362 | K | 91.4 | Very high | 89.7 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 173.8 | -176.3 | 178 | -178.3 | 178.3 | 0 | 112.2 | V358 M359 L360 R366 | V358-K362 WeakPolarHBondContact O-CB 3.43Å; V358-K362 PolarHBondContact O-N 2.89Å; M359-K362 PolarHBondContact O-N 2.91Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.27Å; K362-R366 VanDerWaalsContact O-CG 3.32Å; K362-R366 WeakPolarHBondContact O-CG 3.29Å; K362-R366 PolarHBondContact O-N 3.4Å |
| 363 | H | 90.3 | Very high | 89.9 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 175 | 177.8 | 82.9 | 0 | 0 | 0 | 111.1 | M359 L360 F361 Q365 R366 L367 L578 L579 Q581 | M359-H363 PolarHBondContact O-N 3.43Å; L360-H363 CarbonylContact O-C 3.18Å; L360-H363 WeakPolarHBondContact O-CA 3.35Å; L360-H363 WeakPolarHBondContact O-CB 3.47Å; L360-H363 PolarHBondContact O-N 3.06Å; L360-H363 VanDerWaalsContact O-N 3.08Å; F361-H363 VanDerWaalsContact C-N 3.31Å; F361-H363 PolarHBondContact O-N 2.97Å; H363-Q365 VanDerWaalsContact C-N 3.29Å; H363-Q365 PolarHBondContact O-N 3.31Å; H363-R366 WeakPolarHBondContact O-CA 3.47Å; H363-R366 WeakPolarHBondContact O-CB 3.45Å; H363-R366 PolarHBondContact O-N 3.15Å; H363-L367 PolarHBondContact O-N 3.33Å; H363-L578 PolarHBondContact NE2-O 3.04Å; H363-L578 VanDerWaalsContact NE2-O 3.11Å; H363-L579 HydrophobicContact CB-CD2 4.4Å; H363-L579 PolarHBondContact CE1-O 3.08Å; H363-Q581 PolarHBondContact CE1-O 3.31Å; H363-Q581 PolarHBondContact NE2-O 3.17Å |
| 364 | I | 92.5 | Very high | 89.9 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.5 | -45.3 | 176.5 | -68.5 | 163.3 | 0 | 0 | 0 | 110.9 | L360 F361 R366 L367 W371 H372 V380 M384 L578 | L360-I364 VanDerWaalsContact O-CG1 3.28Å; L360-I364 WeakPolarHBondContact O-CG1 3.2Å; L360-I364 PolarHBondContact O-N 2.88Å; F361-I364 PolarHBondContact O-N 3.29Å; I364-R366 PolarHBondContact O-N 3.44Å; I364-L367 WeakPolarHBondContact O-CB 3.06Å; I364-L367 PolarHBondContact O-N 3.11Å; I364-W371 HydrophobicContact CG2-CH2 4.49Å; I364-W371 HydrophobicContact CG2-CZ3 4.17Å; I364-H372 PolarHBondContact O-CE1 3.29Å; I364-H372 PolarHBondContact O-NE2 3.39Å; I364-H372 VanDerWaalsContact O-NE2 3.13Å; I364-V380 HydrophobicContact CD1-CG1 3.94Å; I364-V380 HydrophobicContact CG1-CG1 4.35Å; I364-V380 HydrophobicContact CG2-CG1 4.4Å; I364-M384 HydrophobicContact CD1-CB 4.42Å; I364-M384 HydrophobicContact CD1-CG 4.48Å; I364-M384 HydrophobicContact CD1-SD 3.96Å; I364-L578 HydrophobicContact CD1-CD2 4.02Å; I364-L578 HydrophobicContact CG1-CD2 4.13Å |
| 365 | Q | 91.7 | Very high | 89.8 | Confident | 128 Ų | 128 | 67.6 Ų | 67.6 | 60% | 0.598 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.5 | 177.6 | -74.1 | -171.5 | -8 | 0 | 0 | 114.5 | F361 H363 | F361-Q365 HydrophobicContact CE1-CG 4.4Å; F361-Q365 HydrophobicContact CZ-CG 4.46Å; F361-Q365 WeakPolarHBondContact O-CG 3.39Å; F361-Q365 PolarHBondContact O-N 3.05Å; H363-Q365 VanDerWaalsContact C-N 3.29Å; H363-Q365 PolarHBondContact O-N 3.31Å |
| 366 | R | 89.9 | Confident | 90 | Very high | 166 Ų | 166 | 71 Ų | 71 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -13.5 | 178.2 | -73.4 | 171.5 | 169.6 | -163.7 | -8.3 | 113 | K362 H363 I364 | K362-R366 VanDerWaalsContact O-CG 3.32Å; K362-R366 WeakPolarHBondContact O-CG 3.29Å; K362-R366 PolarHBondContact O-N 3.4Å; H363-R366 WeakPolarHBondContact O-CA 3.47Å; H363-R366 WeakPolarHBondContact O-CB 3.45Å; H363-R366 PolarHBondContact O-N 3.15Å; I364-R366 PolarHBondContact O-N 3.44Å |
| 367 | L | 92.2 | Very high | 90 | Very high | 12 Ų | 12 | 75.7 Ų | 75.7 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -66.7 | 157.7 | 179.6 | -66.5 | 176.9 | 0 | 0 | 0 | 111.2 | H363 I364 W371 L578 Q581 | H363-L367 PolarHBondContact O-N 3.33Å; I364-L367 WeakPolarHBondContact O-CB 3.06Å; I364-L367 PolarHBondContact O-N 3.11Å; L367-W371 HydrophobicContact CB-CB 4.38Å; L367-W371 HydrophobicContact CB-CD2 4.06Å; L367-W371 HydrophobicContact CB-CE3 3.79Å; L367-W371 HydrophobicContact CB-CG 4.31Å; L367-W371 HydrophobicContact CB-CZ3 4.42Å; L367-W371 HydrophobicContact CD1-CD2 3.56Å; L367-W371 HydrophobicContact CD1-CE3 3.58Å; L367-W371 HydrophobicContact CD1-CG 4.25Å; L367-W371 HydrophobicContact CD1-CH2 3.74Å; L367-W371 HydrophobicContact CD1-CZ2 3.74Å; L367-W371 HydrophobicContact CD1-CZ3 3.67Å; L367-W371 HydrophobicContact CG-CD2 4.4Å; L367-W371 HydrophobicContact CG-CE3 4.33Å; L367-L578 HydrophobicContact CD1-CD1 4.28Å; L367-Q581 HydrophobicContact CD1-CG 4.27Å; L367-Q581 HydrophobicContact CD2-CB 4.16Å; L367-Q581 HydrophobicContact CD2-CG 3.77Å; L367-Q581 WeakPolarHBondContact CD2-O 3.47Å |
| 368 | S | 90.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | trans | -67.4 | 157.3 | -174.1 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | K370 W371 H372 D584 | S368-K370 PolarHBondContact O-N 3.21Å; S368-W371 WeakPolarHBondContact O-CB 3.32Å; S368-W371 PolarHBondContact O-N 2.9Å; S368-W371 VanDerWaalsContact O-N 3.15Å; S368-W371 PolarHBondContact OG-N 2.88Å; S368-H372 PolarHBondContact O-CD2 3.49Å; S368-H372 PolarHBondContact O-N 3.26Å; S368-H372 VanDerWaalsContact O-N 3.14Å; S368-D584 WeakPolarHBondContact CB-OD2 3.14Å; S368-D584 PolarHBondContact OG-OD2 3.48Å | ||
| 369 | L | 89.9 | Confident | 89.7 | Confident | 49 Ų | 49 | 78 Ų | 78 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.8 | -36.1 | 172.8 | -179.8 | 62 | 0 | 0 | 0 | 111.4 | W371 H372 L373 F650 Y651 | L369-W371 VanDerWaalsContact C-N 3.3Å; L369-W371 PolarHBondContact O-N 3.5Å; L369-H372 PolarHBondContact O-N 3.43Å; L369-L373 HydrophobicContact CD1-CD1 4.23Å; L369-L373 HydrophobicContact CD1-CG 4.11Å; L369-L373 HydrophobicContact CD2-CD1 4.47Å; L369-L373 HydrophobicContact CG-CD1 3.94Å; L369-L373 HydrophobicContact CG-CG 4.26Å; L369-L373 WeakPolarHBondContact O-CG 3.49Å; L369-L373 PolarHBondContact O-N 3.21Å; L369-F650 HydrophobicContact CB-CB 4.07Å; L369-F650 HydrophobicContact CB-CG 4.32Å; L369-F650 HydrophobicContact CD2-CB 3.87Å; L369-F650 HydrophobicContact CD2-CD2 3.67Å; L369-F650 HydrophobicContact CD2-CE2 4.34Å; L369-F650 HydrophobicContact CD2-CG 3.82Å; L369-Y651 HydrophobicContact CD2-CE2 4.15Å |
| 370 | K | 90 | Very high | 89.9 | Confident | 93 Ų | 93 | 75.6 Ų | 75.6 | 40% | 0.404 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.6 | -48.2 | 175 | -172.2 | 178.7 | 175.1 | 175.8 | 0 | 110.9 | S368 L373 S374 Y651 | S368-K370 PolarHBondContact O-N 3.21Å; K370-L373 PolarHBondContact O-N 2.93Å; K370-S374 WeakPolarHBondContact O-CB 3.36Å; K370-S374 PolarHBondContact O-N 3.45Å; K370-S374 VanDerWaalsContact O-N 3.08Å; K370-S374 PolarHBondContact O-OG 3.1Å; K370-Y651 WeakPolarHBondContact CA-OH 3.13Å; K370-Y651 HydrophobicContact CB-CE1 3.77Å; K370-Y651 HydrophobicContact CD-CE1 4.46Å; K370-Y651 HydrophobicContact CG-CE1 4.34Å; K370-Y651 PolarHBondContact N-OH 3.39Å |
| 371 | W | 91 | Very high | 89.9 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 179.1 | -175.8 | 90.3 | 0 | 0 | 0 | 111.2 | I364 L367 S368 L369 L373 S374 R375 V380 L578 Q581 | I364-W371 HydrophobicContact CG2-CH2 4.49Å; I364-W371 HydrophobicContact CG2-CZ3 4.17Å; L367-W371 HydrophobicContact CB-CB 4.38Å; L367-W371 HydrophobicContact CB-CD2 4.06Å; L367-W371 HydrophobicContact CB-CE3 3.79Å; L367-W371 HydrophobicContact CB-CG 4.31Å; L367-W371 HydrophobicContact CB-CZ3 4.42Å; L367-W371 HydrophobicContact CD1-CD2 3.56Å; L367-W371 HydrophobicContact CD1-CE3 3.58Å; L367-W371 HydrophobicContact CD1-CG 4.25Å; L367-W371 HydrophobicContact CD1-CH2 3.74Å; L367-W371 HydrophobicContact CD1-CZ2 3.74Å; L367-W371 HydrophobicContact CD1-CZ3 3.67Å; L367-W371 HydrophobicContact CG-CD2 4.4Å; L367-W371 HydrophobicContact CG-CE3 4.33Å; S368-W371 WeakPolarHBondContact O-CB 3.32Å; S368-W371 PolarHBondContact O-N 2.9Å; S368-W371 VanDerWaalsContact O-N 3.15Å; S368-W371 PolarHBondContact OG-N 2.88Å; L369-W371 VanDerWaalsContact C-N 3.3Å; L369-W371 PolarHBondContact O-N 3.5Å; W371-L373 VanDerWaalsContact C-N 3.35Å; W371-L373 PolarHBondContact O-N 2.86Å; W371-S374 PolarHBondContact O-N 3.32Å; W371-S374 VanDerWaalsContact O-N 3.15Å; W371-S374 PolarHBondContact O-OG 3.37Å; W371-R375 HydrophobicContact CD2-CG 4.28Å; W371-R375 HydrophobicContact CZ2-CG 4.08Å; W371-R375 WeakPolarHBondContact O-CG 3.35Å; W371-R375 PolarHBondContact O-N 3.17Å; W371-V380 HydrophobicContact CH2-CB 4.34Å; W371-V380 HydrophobicContact CH2-CG1 3.67Å; W371-V380 HydrophobicContact CH2-CG2 3.67Å; W371-V380 HydrophobicContact CZ2-CG2 4.16Å; W371-V380 HydrophobicContact CZ3-CG1 4.45Å; W371-V380 HydrophobicContact CZ3-CG2 4.46Å; W371-L578 HydrophobicContact CH2-CD1 3.67Å; W371-L578 HydrophobicContact CZ2-CD1 3.28Å; W371-Q581 HydrophobicContact CG-CG 4.5Å |
| 372 | H | 91.4 | Very high | 89.7 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 35% | 0.352 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 178.2 | -78.8 | -64.4 | 0 | 0 | 0 | 113.7 | I364 S368 L369 S374 | I364-H372 PolarHBondContact O-CE1 3.29Å; I364-H372 PolarHBondContact O-NE2 3.39Å; I364-H372 VanDerWaalsContact O-NE2 3.13Å; S368-H372 PolarHBondContact O-CD2 3.49Å; S368-H372 PolarHBondContact O-N 3.26Å; S368-H372 VanDerWaalsContact O-N 3.14Å; L369-H372 PolarHBondContact O-N 3.43Å; H372-S374 VanDerWaalsContact C-N 3.31Å |
| 373 | L | 89.1 | Confident | 89.6 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 60% | 0.597 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -72.5 | -24.7 | 178.5 | -67.8 | 175.2 | 0 | 0 | 0 | 113 | L369 K370 W371 | L369-L373 HydrophobicContact CD1-CD1 4.23Å; L369-L373 HydrophobicContact CD1-CG 4.11Å; L369-L373 HydrophobicContact CD2-CD1 4.47Å; L369-L373 HydrophobicContact CG-CD1 3.94Å; L369-L373 HydrophobicContact CG-CG 4.26Å; L369-L373 WeakPolarHBondContact O-CG 3.49Å; L369-L373 PolarHBondContact O-N 3.21Å; K370-L373 PolarHBondContact O-N 2.93Å; W371-L373 VanDerWaalsContact C-N 3.35Å; W371-L373 PolarHBondContact O-N 2.86Å |
| 374 | S | 87.3 | Confident | 89.6 | Confident | 82 Ų | 82 | 75.9 Ų | 75.9 | 57% | 0.573 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -86.4 | -6.2 | 179.7 | 71.6 | 0 | 0 | 0 | 0 | 114.5 | K370 W371 H372 | K370-S374 WeakPolarHBondContact O-CB 3.36Å; K370-S374 PolarHBondContact O-N 3.45Å; K370-S374 VanDerWaalsContact O-N 3.08Å; K370-S374 PolarHBondContact O-OG 3.1Å; W371-S374 PolarHBondContact O-N 3.32Å; W371-S374 VanDerWaalsContact O-N 3.15Å; W371-S374 PolarHBondContact O-OG 3.37Å; H372-S374 VanDerWaalsContact C-N 3.31Å |
| 375 | R | 87.6 | Confident | 89.5 | Confident | 131 Ų | 131 | 79.5 Ų | 79.5 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -122.7 | 147.1 | -172.2 | -64.6 | -62.6 | -175.5 | 171.3 | 0.8 | 112.1 | W371 V380 | W371-R375 HydrophobicContact CD2-CG 4.28Å; W371-R375 HydrophobicContact CZ2-CG 4.08Å; W371-R375 WeakPolarHBondContact O-CG 3.35Å; W371-R375 PolarHBondContact O-N 3.17Å; R375-V380 HydrophobicContact CB-CG2 3.93Å |
| 376 | K | 89.4 | Confident | 89.4 | Confident | 159 Ų | 159 | 78 Ų | 78 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | trans | -80.6 | 117.3 | 171.1 | -66.8 | 179 | -179.1 | 177.8 | 0 | 109.2 | G378 E379 V380 | K376-G378 VanDerWaalsContact C-N 3.27Å; K376-G378 PolarHBondContact O-N 3.27Å; K376-E379 HydrophobicContact CB-CB 4.12Å; K376-E379 WeakPolarHBondContact O-CB 3.33Å; K376-E379 PolarHBondContact O-N 3.05Å; K376-V380 PolarHBondContact O-N 2.97Å | ||
| 377 | T | 86.4 | Confident | 89.3 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 62% | 0.62 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.1 | -40.6 | -177.1 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | E379 V380 L381 | T377-E379 VanDerWaalsContact C-N 3.3Å; T377-E379 PolarHBondContact O-N 3.33Å; T377-V380 PolarHBondContact O-N 2.79Å; T377-L381 HydrophobicContact CG2-CD1 4.24Å; T377-L381 WeakPolarHBondContact O-CG 3.44Å; T377-L381 PolarHBondContact O-N 2.74Å |
| 378 | G | 86.8 | Confident | 89 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.9 | -29.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K376 R382 | K376-G378 VanDerWaalsContact C-N 3.27Å; K376-G378 PolarHBondContact O-N 3.27Å; G378-R382 WeakPolarHBondContact O-CB 3.48Å; G378-R382 PolarHBondContact O-N 3.21Å |
| 379 | E | 86.6 | Confident | 88.8 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 175 | -173.8 | -178.6 | 167.6 | 0 | 0 | 110.7 | K376 T377 L381 R382 V383 | K376-E379 HydrophobicContact CB-CB 4.12Å; K376-E379 WeakPolarHBondContact O-CB 3.33Å; K376-E379 PolarHBondContact O-N 3.05Å; T377-E379 VanDerWaalsContact C-N 3.3Å; T377-E379 PolarHBondContact O-N 3.33Å; E379-L381 PolarHBondContact O-N 3.4Å; E379-R382 WeakPolarHBondContact O-CB 3.47Å; E379-R382 PolarHBondContact O-N 2.68Å; E379-V383 WeakPolarHBondContact O-CG2 3.3Å; E379-V383 PolarHBondContact O-N 3.35Å |
| 380 | V | 90.7 | Very high | 88.7 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.3 | I364 W371 R375 K376 T377 R382 V383 M384 L578 | I364-V380 HydrophobicContact CD1-CG1 3.94Å; I364-V380 HydrophobicContact CG1-CG1 4.35Å; I364-V380 HydrophobicContact CG2-CG1 4.4Å; W371-V380 HydrophobicContact CH2-CB 4.34Å; W371-V380 HydrophobicContact CH2-CG1 3.67Å; W371-V380 HydrophobicContact CH2-CG2 3.67Å; W371-V380 HydrophobicContact CZ2-CG2 4.16Å; W371-V380 HydrophobicContact CZ3-CG1 4.45Å; W371-V380 HydrophobicContact CZ3-CG2 4.46Å; R375-V380 HydrophobicContact CB-CG2 3.93Å; K376-V380 PolarHBondContact O-N 2.97Å; T377-V380 PolarHBondContact O-N 2.79Å; V380-R382 VanDerWaalsContact C-N 3.33Å; V380-R382 PolarHBondContact O-N 2.77Å; V380-V383 PolarHBondContact O-N 3.21Å; V380-M384 PolarHBondContact O-N 3.11Å; V380-L578 HydrophobicContact CG1-CD2 4.36Å |
| 381 | L | 90.6 | Very high | 88.3 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 38% | 0.382 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 178.4 | -69.4 | 174.4 | 0 | 0 | 0 | 111.6 | T377 E379 V383 M384 D385 | T377-L381 HydrophobicContact CG2-CD1 4.24Å; T377-L381 WeakPolarHBondContact O-CG 3.44Å; T377-L381 PolarHBondContact O-N 2.74Å; E379-L381 PolarHBondContact O-N 3.4Å; L381-V383 PolarHBondContact O-N 3.29Å; L381-M384 HydrophobicContact CD2-CE 4.12Å; L381-M384 WeakPolarHBondContact O-CB 3.45Å; L381-M384 PolarHBondContact O-N 3.34Å; L381-D385 PolarHBondContact O-N 2.8Å |
| 382 | R | 89 | Confident | 88 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 54% | 0.543 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 175.6 | -171 | -155.5 | -119 | -160.8 | -158.7 | 112.1 | G378 E379 V380 M384 D385 R386 | G378-R382 WeakPolarHBondContact O-CB 3.48Å; G378-R382 PolarHBondContact O-N 3.21Å; E379-R382 WeakPolarHBondContact O-CB 3.47Å; E379-R382 PolarHBondContact O-N 2.68Å; V380-R382 VanDerWaalsContact C-N 3.33Å; V380-R382 PolarHBondContact O-N 2.77Å; R382-M384 VanDerWaalsContact C-N 3.32Å; R382-D385 PolarHBondContact O-N 3.18Å; R382-R386 VanDerWaalsContact CD-CZ 3.45Å; R382-R386 HydrophobicContact CG-CG 4.36Å; R382-R386 WeakPolarHBondContact O-CB 3.37Å; R382-R386 WeakPolarHBondContact O-CG 3.42Å; R382-R386 PolarHBondContact O-N 2.88Å |
| 383 | V | 89.4 | Confident | 87.7 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | E379 V380 L381 G387 N574 L578 | E379-V383 WeakPolarHBondContact O-CG2 3.3Å; E379-V383 PolarHBondContact O-N 3.35Å; V380-V383 PolarHBondContact O-N 3.21Å; L381-V383 PolarHBondContact O-N 3.29Å; V383-G387 WeakPolarHBondContact O-CA 3.34Å; V383-G387 PolarHBondContact O-N 3.18Å; V383-N574 HydrophobicContact CG1-CB 3.9Å; V383-N574 WeakPolarHBondContact CG1-O 3.41Å; V383-N574 HydrophobicContact CG2-CB 4.47Å; V383-L578 HydrophobicContact CG1-CD2 4.3Å |
| 384 | M | 90.2 | Very high | 87.5 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.2 | -55.3 | 174.8 | -177.4 | -171.7 | 74.3 | 0 | 0 | 111.6 | L360 F361 I364 V380 L381 R382 R386 G387 T388 | L360-M384 HydrophobicContact CB-CG 3.9Å; L360-M384 HydrophobicContact CB-SD 4.26Å; L360-M384 HydrophobicContact CD1-CG 4.04Å; F361-M384 HydrophobicContact CB-SD 4.26Å; I364-M384 HydrophobicContact CD1-CB 4.42Å; I364-M384 HydrophobicContact CD1-CG 4.48Å; I364-M384 HydrophobicContact CD1-SD 3.96Å; V380-M384 PolarHBondContact O-N 3.11Å; L381-M384 HydrophobicContact CD2-CE 4.12Å; L381-M384 WeakPolarHBondContact O-CB 3.45Å; L381-M384 PolarHBondContact O-N 3.34Å; R382-M384 VanDerWaalsContact C-N 3.32Å; M384-R386 PolarHBondContact O-N 2.97Å; M384-G387 PolarHBondContact O-N 3.49Å; M384-T388 WeakPolarHBondContact O-CG2 3.27Å; M384-T388 PolarHBondContact O-N 2.93Å; M384-T388 PolarHBondContact O-OG1 3.17Å |
| 385 | D | 89.4 | Confident | 87.3 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | -174.3 | -70.1 | -24.1 | 0 | 0 | 0 | 112.8 | L381 R382 T388 A389 | L381-D385 PolarHBondContact O-N 2.8Å; R382-D385 PolarHBondContact O-N 3.18Å; D385-T388 PolarHBondContact O-OG1 3.43Å; D385-A389 WeakPolarHBondContact O-CB 3.45Å; D385-A389 PolarHBondContact O-N 3.39Å |
| 386 | R | 89.3 | Confident | 87.2 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.8 | -38.6 | 176 | -68 | 179.8 | -173.5 | -162.8 | -11.1 | 112.1 | R382 M384 A389 S390 D571 | R382-R386 VanDerWaalsContact CD-CZ 3.45Å; R382-R386 HydrophobicContact CG-CG 4.36Å; R382-R386 WeakPolarHBondContact O-CB 3.37Å; R382-R386 WeakPolarHBondContact O-CG 3.42Å; R382-R386 PolarHBondContact O-N 2.88Å; M384-R386 PolarHBondContact O-N 2.97Å; R386-A389 PolarHBondContact O-N 3.42Å; R386-S390 WeakPolarHBondContact O-CB 3.37Å; R386-S390 PolarHBondContact O-N 2.87Å; R386-S390 PolarHBondContact O-OG 3.01Å; R386-D571 HydrophobicContact CB-CB 4.11Å; R386-D571 IonicContact NH1-OD1 3.93Å |
| 387 | G | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V383 M384 S390 I391 | V383-G387 WeakPolarHBondContact O-CA 3.34Å; V383-G387 PolarHBondContact O-N 3.18Å; M384-G387 PolarHBondContact O-N 3.49Å; G387-S390 WeakPolarHBondContact O-CB 3.47Å; G387-S390 PolarHBondContact O-N 3.4Å; G387-I391 PolarHBondContact O-N 2.93Å |
| 388 | T | 86.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -42.6 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | L356 S357 L360 M384 D385 S390 M575 | L356-T388 HydrophobicContact CB-CG2 3.81Å; S357-T388 WeakPolarHBondContact OG-CG2 3.37Å; S357-T388 PolarHBondContact OG-OG1 3.36Å; L360-T388 HydrophobicContact CD1-CG2 3.36Å; M384-T388 WeakPolarHBondContact O-CG2 3.27Å; M384-T388 PolarHBondContact O-N 2.93Å; M384-T388 PolarHBondContact O-OG1 3.17Å; D385-T388 PolarHBondContact O-OG1 3.43Å; T388-S390 VanDerWaalsContact C-N 3.31Å; T388-S390 PolarHBondContact O-N 2.73Å; T388-M575 HydrophobicContact CG2-SD 4.39Å |
| 389 | A | 87.2 | Confident | 86.8 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -32.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D385 R386 I391 S392 N393 | D385-A389 WeakPolarHBondContact O-CB 3.45Å; D385-A389 PolarHBondContact O-N 3.39Å; R386-A389 PolarHBondContact O-N 3.42Å; A389-I391 VanDerWaalsContact C-N 3.27Å; A389-I391 PolarHBondContact O-N 2.97Å; A389-S392 PolarHBondContact O-N 3.2Å; A389-S392 PolarHBondContact O-OG 3.23Å; A389-S392 VanDerWaalsContact O-OG 3.11Å; A389-N393 WeakPolarHBondContact O-CB 3.31Å; A389-N393 PolarHBondContact O-N 3.5Å; A389-N393 PolarHBondContact O-ND2 3.16Å |
| 390 | S | 86.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -34.8 | -177.7 | -71 | 0 | 0 | 0 | 0 | 112.7 | R386 G387 T388 N393 I394 S568 D571 | R386-S390 WeakPolarHBondContact O-CB 3.37Å; R386-S390 PolarHBondContact O-N 2.87Å; R386-S390 PolarHBondContact O-OG 3.01Å; G387-S390 WeakPolarHBondContact O-CB 3.47Å; G387-S390 PolarHBondContact O-N 3.4Å; T388-S390 VanDerWaalsContact C-N 3.31Å; T388-S390 PolarHBondContact O-N 2.73Å; S390-N393 PolarHBondContact O-N 2.93Å; S390-I394 WeakPolarHBondContact O-CB 3.34Å; S390-I394 WeakPolarHBondContact O-CG1 3.49Å; S390-I394 PolarHBondContact O-N 3.49Å; S390-S568 WeakPolarHBondContact CB-O 3.34Å; S390-D571 WeakPolarHBondContact OG-CB 3.21Å |
| 391 | I | 82.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 177.1 | -82.1 | 167.5 | 0 | 0 | 0 | 111.7 | V231 I235 L356 G387 A389 N393 L395 M572 M575 | V231-I391 HydrophobicContact CB-CD1 4.4Å; V231-I391 HydrophobicContact CG1-CB 4.02Å; V231-I391 HydrophobicContact CG1-CD1 3.71Å; V231-I391 HydrophobicContact CG1-CG1 3.74Å; V231-I391 HydrophobicContact CG1-CG2 3.19Å; V231-I391 HydrophobicContact CG2-CD1 3.71Å; V231-I391 HydrophobicContact CG2-CG1 3.95Å; I235-I391 HydrophobicContact CD1-CG2 4.45Å; I235-I391 HydrophobicContact CG1-CG2 4.47Å; L356-I391 HydrophobicContact CD1-CB 4.37Å; L356-I391 HydrophobicContact CD1-CD1 3.53Å; L356-I391 HydrophobicContact CD1-CG2 4.05Å; G387-I391 PolarHBondContact O-N 2.93Å; A389-I391 VanDerWaalsContact C-N 3.27Å; A389-I391 PolarHBondContact O-N 2.97Å; I391-N393 VanDerWaalsContact C-N 3.33Å; I391-L395 PolarHBondContact O-N 3.3Å; I391-M572 HydrophobicContact CG1-CG 4.22Å; I391-M572 HydrophobicContact CG1-SD 4.25Å; I391-M575 HydrophobicContact CD1-CE 3.67Å; I391-M575 HydrophobicContact CD1-SD 4.11Å |
| 392 | S | 83.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.2 | -32.8 | -178.6 | 69 | 0 | 0 | 0 | 0 | 111.5 | D349 A389 S396 | D349-S392 WeakPolarHBondContact OD1-CB 3.34Å; D349-S392 PolarHBondContact OD1-OG 2.66Å; A389-S392 PolarHBondContact O-N 3.2Å; A389-S392 PolarHBondContact O-OG 3.23Å; A389-S392 VanDerWaalsContact O-OG 3.11Å; S392-S396 VanDerWaalsContact O-CB 3.29Å; S392-S396 WeakPolarHBondContact O-CB 3.33Å; S392-S396 PolarHBondContact O-N 2.91Å; S392-S396 PolarHBondContact O-OG 3.23Å |
| 393 | N | 86.8 | Confident | 86.2 | Confident | 52 Ų | 52 | 31.5 Ų | 31.5 | 28% | 0.278 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63 | -48.5 | 173.2 | -74.7 | -23.8 | 0 | 0 | 0 | 112.5 | A389 S390 I391 L395 S396 Y397 | A389-N393 WeakPolarHBondContact O-CB 3.31Å; A389-N393 PolarHBondContact O-N 3.5Å; A389-N393 PolarHBondContact O-ND2 3.16Å; S390-N393 PolarHBondContact O-N 2.93Å; I391-N393 VanDerWaalsContact C-N 3.33Å; N393-L395 VanDerWaalsContact C-N 3.3Å; N393-L395 PolarHBondContact O-N 3.44Å; N393-S396 PolarHBondContact O-N 3.3Å; N393-S396 VanDerWaalsContact O-N 3.15Å; N393-Y397 HydrophobicContact CB-CD2 4.33Å; N393-Y397 HydrophobicContact CB-CE2 3.73Å; N393-Y397 WeakPolarHBondContact O-CB 3.13Å; N393-Y397 WeakPolarHBondContact O-CD2 3.16Å; N393-Y397 PolarHBondContact O-N 3.33Å |
| 394 | I | 84.5 | Confident | 86 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55 | -50.4 | 177.9 | -73.8 | 164.8 | 0 | 0 | 0 | 109.9 | F228 S390 S396 Y397 L398 L565 S568 F569 M572 | F228-I394 HydrophobicContact CD2-CG2 4.21Å; F228-I394 HydrophobicContact CE2-CG2 3.85Å; S390-I394 WeakPolarHBondContact O-CB 3.34Å; S390-I394 WeakPolarHBondContact O-CG1 3.49Å; S390-I394 PolarHBondContact O-N 3.49Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.27Å; I394-Y397 PolarHBondContact O-N 3.25Å; I394-L398 HydrophobicContact CG2-CD1 3.74Å; I394-L398 HydrophobicContact CG2-CG 4.44Å; I394-L398 WeakPolarHBondContact O-CB 3.46Å; I394-L398 WeakPolarHBondContact O-CG 3.34Å; I394-L398 PolarHBondContact O-N 2.87Å; I394-L565 HydrophobicContact CB-CD1 4.26Å; I394-L565 HydrophobicContact CG1-CD1 4.2Å; I394-L565 HydrophobicContact CG2-CD1 3.97Å; I394-S568 VanDerWaalsContact CG1-CB 3.49Å; I394-F569 HydrophobicContact CD1-CD1 3.91Å; I394-F569 HydrophobicContact CD1-CE1 4.11Å; I394-F569 HydrophobicContact CD1-CG 4.42Å; I394-F569 HydrophobicContact CG2-CE1 4.37Å; I394-F569 HydrophobicContact CG2-CZ 4.33Å; I394-M572 HydrophobicContact CD1-CB 4.25Å; I394-M572 HydrophobicContact CD1-CE 4.08Å; I394-M572 HydrophobicContact CD1-SD 3.67Å |
| 395 | L | 81.5 | Confident | 85.8 | Confident | 22 Ų | 22 | 30 Ų | 30 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | -179.9 | -176.6 | 69.7 | 0 | 0 | 0 | 111.3 | F228 I235 W345 I391 N393 L398 V399 | F228-L395 HydrophobicContact CZ-CD1 4.19Å; I235-L395 HydrophobicContact CB-CD2 4.25Å; I235-L395 HydrophobicContact CD1-CD2 3.82Å; I235-L395 HydrophobicContact CG1-CD2 3.87Å; I235-L395 HydrophobicContact CG2-CD2 3.34Å; W345-L395 HydrophobicContact CH2-CD2 3.24Å; W345-L395 HydrophobicContact CH2-CG 4.08Å; W345-L395 HydrophobicContact CZ2-CD2 3.72Å; W345-L395 HydrophobicContact CZ2-CG 4.32Å; W345-L395 HydrophobicContact CZ3-CD2 4.31Å; I391-L395 PolarHBondContact O-N 3.3Å; N393-L395 VanDerWaalsContact C-N 3.3Å; N393-L395 PolarHBondContact O-N 3.44Å; L395-L398 PolarHBondContact O-N 3.28Å; L395-V399 HydrophobicContact CD1-CG2 3.54Å; L395-V399 HydrophobicContact CG-CG2 4.19Å; L395-V399 VanDerWaalsContact O-CB 3.26Å; L395-V399 WeakPolarHBondContact O-CB 3.48Å; L395-V399 WeakPolarHBondContact O-CG2 3.15Å; L395-V399 PolarHBondContact O-N 3.01Å |
| 396 | S | 86.1 | Confident | 85.6 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 179 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | W345 S392 N393 I394 F400 N401 | W345-S396 PolarHBondContact NE1-OG 3.26Å; S392-S396 VanDerWaalsContact O-CB 3.29Å; S392-S396 WeakPolarHBondContact O-CB 3.33Å; S392-S396 PolarHBondContact O-N 2.91Å; S392-S396 PolarHBondContact O-OG 3.23Å; N393-S396 PolarHBondContact O-N 3.3Å; N393-S396 VanDerWaalsContact O-N 3.15Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.27Å; S396-F400 VanDerWaalsContact O-CB 3.27Å; S396-F400 WeakPolarHBondContact O-CB 3.38Å; S396-F400 PolarHBondContact O-N 3.45Å; S396-F400 VanDerWaalsContact O-N 3.08Å; S396-N401 PolarHBondContact O-ND2 3.4Å |
| 397 | Y | 87.2 | Confident | 85.5 | Confident | 38 Ų | 38 | 27 Ų | 27 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.9 | -43.8 | 177.9 | -59.1 | -31.6 | 0 | 0 | 0 | 111.6 | N393 I394 N401 I402 Y561 L564 | N393-Y397 HydrophobicContact CB-CD2 4.33Å; N393-Y397 HydrophobicContact CB-CE2 3.73Å; N393-Y397 WeakPolarHBondContact O-CB 3.13Å; N393-Y397 WeakPolarHBondContact O-CD2 3.16Å; N393-Y397 PolarHBondContact O-N 3.33Å; I394-Y397 PolarHBondContact O-N 3.25Å; Y397-N401 WeakPolarHBondContact O-CB 3.19Å; Y397-N401 PolarHBondContact O-N 3.49Å; Y397-I402 PolarHBondContact O-N 3.11Å; Y397-Y561 AromaticContact CD1-CD1 3.45Å; Y397-Y561 HydrophobicContact CD1-CD1 3.45Å; Y397-Y561 VanDerWaalsContact CD1-CD1 3.45Å; Y397-Y561 AromaticContact CD1-CE1 3.71Å; Y397-Y561 HydrophobicContact CD1-CE1 3.71Å; Y397-Y561 AromaticContact CE1-CD1 3.93Å; Y397-Y561 HydrophobicContact CE1-CD1 3.93Å; Y397-Y561 AromaticContact CE1-CE1 3.95Å; Y397-Y561 HydrophobicContact CE1-CE1 3.95Å; Y397-Y561 HydrophobicContact CG-CD1 4.07Å; Y397-L564 HydrophobicContact CD2-CB 4.03Å; Y397-L564 HydrophobicContact CE1-CD1 4.26Å; Y397-L564 HydrophobicContact CE2-CB 3.49Å; Y397-L564 VanDerWaalsContact CE2-CB 3.49Å; Y397-L564 HydrophobicContact CE2-CD1 4.42Å; Y397-L564 HydrophobicContact CE2-CG 4.5Å |
| 398 | L | 83.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 27.7 Ų | 27.7 | 29% | 0.293 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -68.3 | -56.1 | 179.1 | -73.9 | 175.3 | 0 | 0 | 0 | 112.1 | I394 L395 I402 L403 L565 | I394-L398 HydrophobicContact CG2-CD1 3.74Å; I394-L398 HydrophobicContact CG2-CG 4.44Å; I394-L398 WeakPolarHBondContact O-CB 3.46Å; I394-L398 WeakPolarHBondContact O-CG 3.34Å; I394-L398 PolarHBondContact O-N 2.87Å; L395-L398 PolarHBondContact O-N 3.28Å; L398-I402 HydrophobicContact CD2-CD1 4.17Å; L398-I402 HydrophobicContact CD2-CG2 4.49Å; L398-L403 WeakPolarHBondContact O-CB 3.48Å; L398-L403 PolarHBondContact O-N 3.31Å; L398-L565 HydrophobicContact CD1-CD1 4.23Å; L398-L565 HydrophobicContact CD2-CD1 4.13Å; L398-L565 HydrophobicContact CD2-CD2 3.79Å; L398-L565 HydrophobicContact CG-CD1 3.78Å; L398-L565 HydrophobicContact CG-CD2 4.38Å |
| 399 | V | 84.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -74.2 | -36.5 | -171.4 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | F251 L254 L395 P404 | F251-V399 HydrophobicContact CD1-CG1 4.34Å; F251-V399 HydrophobicContact CE1-CG1 3.55Å; F251-V399 HydrophobicContact CZ-CG1 3.99Å; L254-V399 HydrophobicContact CD1-CG1 4.03Å; L254-V399 WeakPolarHBondContact CD1-O 3.46Å; L395-V399 HydrophobicContact CD1-CG2 3.54Å; L395-V399 HydrophobicContact CG-CG2 4.19Å; L395-V399 VanDerWaalsContact O-CB 3.26Å; L395-V399 WeakPolarHBondContact O-CB 3.48Å; L395-V399 WeakPolarHBondContact O-CG2 3.15Å; L395-V399 PolarHBondContact O-N 3.01Å; V399-P404 WeakPolarHBondContact O-CD 3.3Å; V399-P404 WeakPolarHBondContact O-CG 3.49Å |
| 400 | F | 86.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -104.1 | -13 | -171.4 | -53 | -51.6 | 0 | 0 | 0 | 115.4 | C250 L254 R341 W345 S396 | C250-F400 HydrophobicContact CB-CE1 4.36Å; C250-F400 HydrophobicContact CB-CZ 4.33Å; L254-F400 HydrophobicContact CD1-CD1 4.05Å; L254-F400 HydrophobicContact CD1-CE1 4.47Å; R341-F400 HydrophobicContact CG-CE1 4.35Å; R341-F400 VanDerWaalsContact NH1-CE2 3.32Å; W345-F400 AromaticContact CD2-CE2 3.57Å; W345-F400 HydrophobicContact CD2-CE2 3.57Å; W345-F400 AromaticContact CD2-CZ 3.95Å; W345-F400 HydrophobicContact CD2-CZ 3.95Å; W345-F400 AromaticContact CE2-CE2 3.87Å; W345-F400 AromaticContact CE3-CE2 3.7Å; W345-F400 HydrophobicContact CE3-CE2 3.7Å; W345-F400 AromaticContact CE3-CZ 3.59Å; W345-F400 HydrophobicContact CE3-CZ 3.59Å; W345-F400 HydrophobicContact CG-CE2 4.02Å; W345-F400 HydrophobicContact CZ2-CE2 4.35Å; W345-F400 HydrophobicContact CZ3-CE2 4.19Å; W345-F400 HydrophobicContact CZ3-CZ 4.01Å; S396-F400 VanDerWaalsContact O-CB 3.27Å; S396-F400 WeakPolarHBondContact O-CB 3.38Å; S396-F400 PolarHBondContact O-N 3.45Å; S396-F400 VanDerWaalsContact O-N 3.08Å |
| 401 | N | 86 | Confident | 85.7 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -125.2 | -61.3 | -177.7 | -59.3 | -77.9 | 0 | 0 | 0 | 111.9 | S396 Y397 T405 Y561 | S396-N401 PolarHBondContact O-ND2 3.4Å; Y397-N401 WeakPolarHBondContact O-CB 3.19Å; Y397-N401 PolarHBondContact O-N 3.49Å; N401-T405 WeakPolarHBondContact O-CB 3.4Å; N401-T405 PolarHBondContact O-N 2.96Å; N401-T405 PolarHBondContact O-OG1 3.39Å; N401-Y561 HydrophobicContact CB-CD1 4.29Å; N401-Y561 HydrophobicContact CB-CD2 3.73Å; N401-Y561 HydrophobicContact CB-CE1 4.28Å; N401-Y561 HydrophobicContact CB-CE2 3.69Å; N401-Y561 HydrophobicContact CB-CG 4.05Å; N401-Y561 VanDerWaalsContact CG-CZ 3.4Å; N401-Y561 WeakPolarHBondContact OD1-CE2 3.16Å; N401-Y561 VanDerWaalsContact OD1-CZ 3.26Å; N401-Y561 PolarHBondContact OD1-OH 3.06Å |
| 402 | I | 85.3 | Confident | 86 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -69.2 | -55.3 | -172.6 | -66 | 169.6 | 0 | 0 | 0 | 111.5 | Y397 L398 T405 V406 F558 L565 | Y397-I402 PolarHBondContact O-N 3.11Å; L398-I402 HydrophobicContact CD2-CD1 4.17Å; L398-I402 HydrophobicContact CD2-CG2 4.49Å; I402-T405 PolarHBondContact O-N 3.37Å; I402-T405 VanDerWaalsContact O-N 3.17Å; I402-V406 WeakPolarHBondContact O-CG2 3.41Å; I402-V406 PolarHBondContact O-N 3.04Å; I402-F558 HydrophobicContact CG1-CE2 4.3Å; I402-F558 HydrophobicContact CG2-CE2 4.07Å; I402-L565 HydrophobicContact CD1-CB 4.44Å; I402-L565 HydrophobicContact CD1-CD2 3.78Å |
| 403 | L | 85 | Confident | 86.2 | Confident | 93 Ų | 93 | 35.1 Ų | 35.1 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.1 | -45.6 | -178.7 | 179.8 | 68.8 | 0 | 0 | 0 | 111.8 | L398 T405 V406 L407 | L398-L403 WeakPolarHBondContact O-CB 3.48Å; L398-L403 PolarHBondContact O-N 3.31Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 3.13Å; L403-V406 PolarHBondContact O-N 3.45Å; L403-L407 HydrophobicContact CD1-CD1 4.49Å; L403-L407 HydrophobicContact CD1-CG 4.46Å; L403-L407 HydrophobicContact CG-CD1 4.14Å; L403-L407 WeakPolarHBondContact O-CG 3.38Å; L403-L407 PolarHBondContact O-N 3.19Å |
| 404 | P | 85.2 | Confident | 86.2 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -38.2 | 173.5 | -27.5 | 38 | 0 | 0 | 0 | 113.6 | L254 V399 L407 D408 | L254-P404 HydrophobicContact CD1-CG 4.15Å; L254-P404 HydrophobicContact CD2-CG 4.32Å; L254-P404 HydrophobicContact CG-CG 4.34Å; V399-P404 WeakPolarHBondContact O-CD 3.3Å; V399-P404 WeakPolarHBondContact O-CG 3.49Å; P404-L407 PolarHBondContact O-N 3.45Å; P404-D408 WeakPolarHBondContact O-CB 3.36Å; P404-D408 PolarHBondContact O-N 2.92Å |
| 405 | T | 86.2 | Confident | 86.4 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | N401 I402 L403 D408 I409 P554 L555 F558 | N401-T405 WeakPolarHBondContact O-CB 3.4Å; N401-T405 PolarHBondContact O-N 2.96Å; N401-T405 PolarHBondContact O-OG1 3.39Å; I402-T405 PolarHBondContact O-N 3.37Å; I402-T405 VanDerWaalsContact O-N 3.17Å; L403-T405 VanDerWaalsContact C-N 3.33Å; L403-T405 PolarHBondContact O-N 3.13Å; T405-D408 PolarHBondContact O-N 3.46Å; T405-I409 HydrophobicContact CG2-CD1 4.32Å; T405-I409 VanDerWaalsContact O-CG1 3.3Å; T405-I409 WeakPolarHBondContact O-CG1 3.29Å; T405-I409 PolarHBondContact O-N 2.9Å; T405-I409 VanDerWaalsContact O-N 3.08Å; T405-P554 HydrophobicContact CG2-CB 4.29Å; T405-P554 HydrophobicContact CG2-CG 4.41Å; T405-L555 HydrophobicContact CG2-CD1 4.16Å; T405-F558 HydrophobicContact CG2-CD2 4.32Å |
| 406 | V | 86.2 | Confident | 86.8 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 34% | 0.339 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 176 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | I402 L403 I409 I410 | I402-V406 WeakPolarHBondContact O-CG2 3.41Å; I402-V406 PolarHBondContact O-N 3.04Å; L403-V406 PolarHBondContact O-N 3.45Å; V406-I409 PolarHBondContact O-N 3.35Å; V406-I410 HydrophobicContact CG1-CD1 4.02Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 2.81Å |
| 407 | L | 87.3 | Confident | 86.6 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 35% | 0.351 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.3 | -71.6 | 174 | 0 | 0 | 0 | 112.2 | L403 P404 I409 I410 I411 | L403-L407 HydrophobicContact CD1-CD1 4.49Å; L403-L407 HydrophobicContact CD1-CG 4.46Å; L403-L407 HydrophobicContact CG-CD1 4.14Å; L403-L407 WeakPolarHBondContact O-CG 3.38Å; L403-L407 PolarHBondContact O-N 3.19Å; P404-L407 PolarHBondContact O-N 3.45Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 3.36Å; L407-I410 PolarHBondContact O-N 3.08Å; L407-I411 WeakPolarHBondContact O-CB 3.26Å; L407-I411 WeakPolarHBondContact O-CD1 3.48Å; L407-I411 WeakPolarHBondContact O-CG1 3.18Å; L407-I411 PolarHBondContact O-N 3.33Å |
| 408 | D | 88.1 | Confident | 86.4 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -38.1 | 177.1 | -74.9 | -17.1 | 0 | 0 | 0 | 111.9 | R258 P404 T405 G412 L551 | R258-D408 WeakPolarHBondContact CD-OD1 3.32Å; R258-D408 IonicContact CZ-OD2 3.67Å; R258-D408 IonicContact NE-OD1 3.02Å; R258-D408 IonicContact NH1-OD1 2.79Å; R258-D408 IonicContact NH1-OD2 3.39Å; R258-D408 PolarHBondContact NH1-OD2 2.96Å; P404-D408 WeakPolarHBondContact O-CB 3.36Å; P404-D408 PolarHBondContact O-N 2.92Å; T405-D408 PolarHBondContact O-N 3.46Å; D408-G412 WeakPolarHBondContact O-CA 3.42Å; D408-G412 PolarHBondContact O-N 2.97Å; D408-L551 HydrophobicContact CB-CD2 4.17Å; D408-L551 WeakPolarHBondContact O-CD2 3.5Å |
| 409 | I | 87.8 | Confident | 86.3 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 173.5 | -66.6 | 164.5 | 0 | 0 | 0 | 110.1 | T405 V406 L407 G412 V413 M432 L555 | T405-I409 HydrophobicContact CG2-CD1 4.32Å; T405-I409 VanDerWaalsContact O-CG1 3.3Å; T405-I409 WeakPolarHBondContact O-CG1 3.29Å; T405-I409 PolarHBondContact O-N 2.9Å; T405-I409 VanDerWaalsContact O-N 3.08Å; V406-I409 PolarHBondContact O-N 3.35Å; L407-I409 VanDerWaalsContact C-N 3.31Å; L407-I409 PolarHBondContact O-N 3.36Å; I409-G412 PolarHBondContact O-N 3.45Å; I409-V413 HydrophobicContact CG2-CG2 4.42Å; I409-V413 WeakPolarHBondContact O-CB 3.08Å; I409-V413 VanDerWaalsContact O-CG2 3.26Å; I409-V413 WeakPolarHBondContact O-CG2 3.36Å; I409-V413 PolarHBondContact O-N 3.07Å; I409-M432 HydrophobicContact CG2-CB 4.4Å; I409-L555 HydrophobicContact CD1-CD1 4.36Å |
| 410 | I | 87.5 | Confident | 86.2 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.9 | -49.8 | 179.1 | -66.3 | 165.7 | 0 | 0 | 0 | 110.6 | V406 L407 G412 V413 V414 | V406-I410 HydrophobicContact CG1-CD1 4.02Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 2.81Å; L407-I410 PolarHBondContact O-N 3.08Å; I410-G412 VanDerWaalsContact C-N 3.33Å; I410-G412 PolarHBondContact O-N 3.19Å; I410-V413 PolarHBondContact O-N 3.2Å; I410-V414 HydrophobicContact CG2-CG2 4.5Å; I410-V414 VanDerWaalsContact O-CG2 3.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.49Å; I410-V414 PolarHBondContact O-N 3.4Å |
| 411 | I | 88.5 | Confident | 86.1 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 178.9 | -68.2 | 165 | 0 | 0 | 0 | 110.1 | L262 L407 V414 Y415 | L262-I411 HydrophobicContact CD1-CG2 4.03Å; L262-I411 HydrophobicContact CD2-CG2 4.1Å; L407-I411 WeakPolarHBondContact O-CB 3.26Å; L407-I411 WeakPolarHBondContact O-CD1 3.48Å; L407-I411 WeakPolarHBondContact O-CG1 3.18Å; L407-I411 PolarHBondContact O-N 3.33Å; I411-V414 PolarHBondContact O-N 3.32Å; I411-Y415 VanDerWaalsContact O-CB 3.25Å; I411-Y415 WeakPolarHBondContact O-CB 3.5Å; I411-Y415 PolarHBondContact O-N 2.96Å |
| 412 | G | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D408 I409 I410 Y415 F416 | D408-G412 WeakPolarHBondContact O-CA 3.42Å; D408-G412 PolarHBondContact O-N 2.97Å; I409-G412 PolarHBondContact O-N 3.45Å; I410-G412 VanDerWaalsContact C-N 3.33Å; I410-G412 PolarHBondContact O-N 3.19Å; G412-Y415 PolarHBondContact O-N 3.02Å; G412-F416 WeakPolarHBondContact O-CD2 3.37Å; G412-F416 PolarHBondContact O-N 3Å |
| 413 | V | 88 | Confident | 86.5 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | I409 I410 Y415 F416 V417 V428 F429 | I409-V413 HydrophobicContact CG2-CG2 4.42Å; I409-V413 WeakPolarHBondContact O-CB 3.08Å; I409-V413 VanDerWaalsContact O-CG2 3.26Å; I409-V413 WeakPolarHBondContact O-CG2 3.36Å; I409-V413 PolarHBondContact O-N 3.07Å; I410-V413 PolarHBondContact O-N 3.2Å; V413-Y415 VanDerWaalsContact C-N 3.29Å; V413-Y415 PolarHBondContact O-N 2.91Å; V413-F416 PolarHBondContact O-N 3.49Å; V413-V417 WeakPolarHBondContact O-CG2 3.2Å; V413-V417 PolarHBondContact O-N 2.96Å; V413-V428 HydrophobicContact CG2-CG1 4.24Å; V413-F429 HydrophobicContact CG1-CB 4.33Å; V413-F429 HydrophobicContact CG2-CB 3.91Å; V413-F429 HydrophobicContact CG2-CD2 4.37Å |
| 414 | V | 86.8 | Confident | 86.7 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I410 I411 V417 T418 | I410-V414 HydrophobicContact CG2-CG2 4.5Å; I410-V414 VanDerWaalsContact O-CG2 3.3Å; I410-V414 WeakPolarHBondContact O-CG2 3.49Å; I410-V414 PolarHBondContact O-N 3.4Å; I411-V414 PolarHBondContact O-N 3.32Å; V414-V417 PolarHBondContact O-N 2.93Å; V414-T418 WeakPolarHBondContact O-CG2 3.26Å; V414-T418 PolarHBondContact O-N 3.28Å; V414-T418 VanDerWaalsContact O-N 3.1Å; V414-T418 PolarHBondContact O-OG1 2.83Å; V414-T418 VanDerWaalsContact O-OG1 3.12Å |
| 415 | Y | 88.6 | Confident | 86.9 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.5 | -178.9 | -91.5 | 0 | 0 | 0 | 112.5 | L262 I266 I411 G412 V413 V417 T418 A419 L543 Y547 | L262-Y415 HydrophobicContact CD1-CD2 3.98Å; L262-Y415 HydrophobicContact CD1-CG 4.17Å; I266-Y415 HydrophobicContact CD1-CD2 4.35Å; I266-Y415 HydrophobicContact CD1-CE2 3.5Å; I266-Y415 VanDerWaalsContact CD1-CE2 3.5Å; I266-Y415 HydrophobicContact CG1-CE2 4.08Å; I266-Y415 WeakPolarHBondContact CG1-OH 3.27Å; I411-Y415 VanDerWaalsContact O-CB 3.25Å; I411-Y415 WeakPolarHBondContact O-CB 3.5Å; I411-Y415 PolarHBondContact O-N 2.96Å; G412-Y415 PolarHBondContact O-N 3.02Å; V413-Y415 VanDerWaalsContact C-N 3.29Å; V413-Y415 PolarHBondContact O-N 2.91Å; Y415-V417 VanDerWaalsContact C-N 3.35Å; Y415-V417 PolarHBondContact O-N 2.63Å; Y415-T418 PolarHBondContact O-N 3.45Å; Y415-T418 PolarHBondContact O-OG1 3.49Å; Y415-T418 VanDerWaalsContact O-OG1 3.1Å; Y415-A419 HydrophobicContact CD1-CB 4.28Å; Y415-A419 HydrophobicContact CE1-CB 3.79Å; Y415-A419 HydrophobicContact CE2-CB 4.19Å; Y415-A419 WeakPolarHBondContact O-CB 3.42Å; Y415-A419 PolarHBondContact O-N 3.26Å; Y415-L543 HydrophobicContact CE1-CD1 4.12Å; Y415-L543 HydrophobicContact CE1-CD2 3.9Å; Y415-L543 WeakPolarHBondContact OH-CD1 3.48Å; Y415-Y547 HydrophobicContact CD1-CD1 4.16Å; Y415-Y547 AromaticContact CD1-CE1 3.72Å; Y415-Y547 HydrophobicContact CD1-CE1 3.72Å; Y415-Y547 HydrophobicContact CE1-CD1 4.32Å; Y415-Y547 HydrophobicContact CE1-CE1 4.19Å; Y415-Y547 HydrophobicContact CG-CE1 4.17Å |
| 416 | F | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 178.2 | -82.5 | -68.4 | 0 | 0 | 0 | 112.9 | G412 V413 F420 N421 V428 L543 F544 Y547 I548 L551 | G412-F416 WeakPolarHBondContact O-CD2 3.37Å; G412-F416 PolarHBondContact O-N 3Å; V413-F416 PolarHBondContact O-N 3.49Å; F416-F420 AromaticContact CD1-CD2 3.54Å; F416-F420 HydrophobicContact CD1-CD2 3.54Å; F416-F420 AromaticContact CD1-CE2 3.62Å; F416-F420 HydrophobicContact CD1-CE2 3.62Å; F416-F420 HydrophobicContact CD1-CG 4.29Å; F416-F420 HydrophobicContact CD1-CZ 4.41Å; F416-F420 HydrophobicContact CE1-CD2 4.04Å; F416-F420 AromaticContact CE1-CE2 3.61Å; F416-F420 HydrophobicContact CE1-CE2 3.61Å; F416-F420 HydrophobicContact CE1-CZ 4.1Å; F416-F420 WeakPolarHBondContact O-CB 3.35Å; F416-F420 PolarHBondContact O-N 3.47Å; F416-F420 VanDerWaalsContact O-N 3.16Å; F416-N421 PolarHBondContact O-N 3.31Å; F416-V428 HydrophobicContact CD2-CB 4.38Å; F416-V428 HydrophobicContact CD2-CG1 4.37Å; F416-V428 HydrophobicContact CD2-CG2 3.77Å; F416-V428 HydrophobicContact CE2-CG2 4.03Å; F416-V428 HydrophobicContact CG-CG2 4.17Å; F416-L543 HydrophobicContact CE1-CD2 4.22Å; F416-L543 HydrophobicContact CZ-CD2 4.37Å; F416-F544 HydrophobicContact CD1-CD2 4.49Å; F416-F544 AromaticContact CE1-CD2 3.7Å; F416-F544 HydrophobicContact CE1-CD2 3.7Å; F416-F544 HydrophobicContact CE1-CE2 4.3Å; F416-F544 HydrophobicContact CZ-CD2 4.17Å; F416-Y547 HydrophobicContact CE2-CD1 4.39Å; F416-Y547 HydrophobicContact CE2-CG 4.2Å; F416-Y547 HydrophobicContact CZ-CD1 4.37Å; F416-Y547 HydrophobicContact CZ-CG 4.2Å; F416-I548 HydrophobicContact CE2-CD1 4.4Å; F416-I548 HydrophobicContact CZ-CD1 4.42Å; F416-I548 HydrophobicContact CZ-CG1 4.47Å; F416-L551 HydrophobicContact CE2-CD1 4.26Å |
| 417 | V | 83.1 | Confident | 87.4 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 173.4 | 174 | 0 | 0 | 0 | 0 | 111 | V413 V414 Y415 | V413-V417 WeakPolarHBondContact O-CG2 3.2Å; V413-V417 PolarHBondContact O-N 2.96Å; V414-V417 PolarHBondContact O-N 2.93Å; Y415-V417 VanDerWaalsContact C-N 3.35Å; Y415-V417 PolarHBondContact O-N 2.63Å |
| 418 | T | 81.2 | Confident | 87.6 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 67% | 0.669 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -81.9 | -37 | -175.7 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | V414 Y415 | V414-T418 WeakPolarHBondContact O-CG2 3.26Å; V414-T418 PolarHBondContact O-N 3.28Å; V414-T418 VanDerWaalsContact O-N 3.1Å; V414-T418 PolarHBondContact O-OG1 2.83Å; V414-T418 VanDerWaalsContact O-OG1 3.12Å; Y415-T418 PolarHBondContact O-N 3.45Å; Y415-T418 PolarHBondContact O-OG1 3.49Å; Y415-T418 VanDerWaalsContact O-OG1 3.1Å |
| 419 | A | 81.5 | Confident | 87.8 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -89.2 | -26.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y415 | Y415-A419 HydrophobicContact CD1-CB 4.28Å; Y415-A419 HydrophobicContact CE1-CB 3.79Å; Y415-A419 HydrophobicContact CE2-CB 4.19Å; Y415-A419 WeakPolarHBondContact O-CB 3.42Å; Y415-A419 PolarHBondContact O-N 3.26Å |
| 420 | F | 83.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -77.3 | 179.2 | -68.2 | -109.2 | 0 | 0 | 0 | 110.5 | F416 Y424 L536 H540 L543 F544 | F416-F420 AromaticContact CD1-CD2 3.54Å; F416-F420 HydrophobicContact CD1-CD2 3.54Å; F416-F420 AromaticContact CD1-CE2 3.62Å; F416-F420 HydrophobicContact CD1-CE2 3.62Å; F416-F420 HydrophobicContact CD1-CG 4.29Å; F416-F420 HydrophobicContact CD1-CZ 4.41Å; F416-F420 HydrophobicContact CE1-CD2 4.04Å; F416-F420 AromaticContact CE1-CE2 3.61Å; F416-F420 HydrophobicContact CE1-CE2 3.61Å; F416-F420 HydrophobicContact CE1-CZ 4.1Å; F416-F420 WeakPolarHBondContact O-CB 3.35Å; F416-F420 PolarHBondContact O-N 3.47Å; F416-F420 VanDerWaalsContact O-N 3.16Å; F420-Y424 HydrophobicContact CB-CD1 4.32Å; F420-Y424 HydrophobicContact CB-CD2 3.48Å; F420-Y424 VanDerWaalsContact CB-CD2 3.48Å; F420-Y424 HydrophobicContact CB-CE2 4.07Å; F420-Y424 HydrophobicContact CB-CG 3.62Å; F420-Y424 HydrophobicContact CD1-CD1 4.02Å; F420-Y424 HydrophobicContact CD1-CD2 4.3Å; F420-Y424 AromaticContact CD1-CE1 3.99Å; F420-Y424 HydrophobicContact CD1-CE1 3.99Å; F420-Y424 HydrophobicContact CD1-CE2 4.28Å; F420-Y424 HydrophobicContact CD1-CG 4.17Å; F420-Y424 HydrophobicContact CG-CD1 4.32Å; F420-Y424 HydrophobicContact CG-CD2 4.27Å; F420-Y424 HydrophobicContact CG-CG 4.09Å; F420-L536 HydrophobicContact CD1-CD1 3.66Å; F420-L536 HydrophobicContact CD1-CD2 4.14Å; F420-L536 HydrophobicContact CE1-CD1 3.96Å; F420-H540 HydrophobicContact CE1-CB 3.92Å; F420-H540 HydrophobicContact CZ-CB 4.11Å; F420-L543 HydrophobicContact CE2-CD2 3.9Å; F420-L543 HydrophobicContact CZ-CD2 4.08Å; F420-F544 HydrophobicContact CZ-CB 4.34Å |
| 421 | N | 84.4 | Confident | 88.3 | Confident | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | trans | -179.7 | 166.5 | 179.2 | -85.6 | -35.7 | 0 | 0 | 0 | 109.7 | F416 W423 Y424 G425 | F416-N421 PolarHBondContact O-N 3.31Å; N421-W423 PolarHBondContact O-N 3.02Å; N421-W423 VanDerWaalsContact O-N 3.15Å; N421-Y424 HydrophobicContact CB-CD2 4.22Å; N421-Y424 PolarHBondContact O-N 3.27Å; N421-Y424 VanDerWaalsContact O-N 3.1Å; N421-G425 PolarHBondContact O-N 3.22Å | ||
| 422 | I | 87.9 | Confident | 88.5 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 60% | 0.6 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.3 | -32.7 | -179.9 | -166.5 | 143.2 | 0 | 0 | 0 | 114.2 | Y424 G425 L426 | I422-Y424 VanDerWaalsContact C-N 3.35Å; I422-Y424 PolarHBondContact O-N 3.45Å; I422-G425 PolarHBondContact O-N 3.42Å; I422-L426 WeakPolarHBondContact O-CB 3.38Å; I422-L426 PolarHBondContact O-N 3.35Å |
| 423 | W | 90 | Very high | 88.6 | Confident | 185 Ų | 185 | 54.6 Ų | 54.6 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.9 | -37.2 | 178.3 | -66 | 110.4 | 0 | 0 | 0 | 113.1 | N421 L426 L427 | N421-W423 PolarHBondContact O-N 3.02Å; N421-W423 VanDerWaalsContact O-N 3.15Å; W423-L426 HydrophobicContact CE3-CD2 4.24Å; W423-L426 HydrophobicContact CZ3-CD2 4.25Å; W423-L426 PolarHBondContact O-N 3.31Å; W423-L427 WeakPolarHBondContact O-CB 3.41Å; W423-L427 PolarHBondContact O-N 3.43Å |
| 424 | Y | 90.8 | Very high | 88.8 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 175.9 | -73.7 | -91.6 | 0 | 0 | 0 | 110.7 | F420 N421 I422 L426 L427 V428 L526 C527 D530 F544 | F420-Y424 HydrophobicContact CB-CD1 4.32Å; F420-Y424 HydrophobicContact CB-CD2 3.48Å; F420-Y424 VanDerWaalsContact CB-CD2 3.48Å; F420-Y424 HydrophobicContact CB-CE2 4.07Å; F420-Y424 HydrophobicContact CB-CG 3.62Å; F420-Y424 HydrophobicContact CD1-CD1 4.02Å; F420-Y424 HydrophobicContact CD1-CD2 4.3Å; F420-Y424 AromaticContact CD1-CE1 3.99Å; F420-Y424 HydrophobicContact CD1-CE1 3.99Å; F420-Y424 HydrophobicContact CD1-CE2 4.28Å; F420-Y424 HydrophobicContact CD1-CG 4.17Å; F420-Y424 HydrophobicContact CG-CD1 4.32Å; F420-Y424 HydrophobicContact CG-CD2 4.27Å; F420-Y424 HydrophobicContact CG-CG 4.09Å; N421-Y424 HydrophobicContact CB-CD2 4.22Å; N421-Y424 PolarHBondContact O-N 3.27Å; N421-Y424 VanDerWaalsContact O-N 3.1Å; I422-Y424 VanDerWaalsContact C-N 3.35Å; I422-Y424 PolarHBondContact O-N 3.45Å; Y424-L426 VanDerWaalsContact C-N 3.31Å; Y424-L426 PolarHBondContact O-N 3.34Å; Y424-L427 PolarHBondContact O-N 3.05Å; Y424-V428 WeakPolarHBondContact O-CG2 3.33Å; Y424-V428 PolarHBondContact O-N 3.14Å; Y424-L526 HydrophobicContact CE1-CB 4.31Å; Y424-L526 VanDerWaalsContact OH-C 3.3Å; Y424-L526 PolarHBondContact OH-O 2.93Å; Y424-C527 HydrophobicContact CE1-CB 4.35Å; Y424-C527 WeakPolarHBondContact OH-CA 3.37Å; Y424-C527 PolarHBondContact OH-N 2.89Å; Y424-D530 PolarHBondContact OH-OD2 2.94Å; Y424-F544 HydrophobicContact CD1-CD2 4.3Å; Y424-F544 HydrophobicContact CD1-CE2 4.28Å |
| 425 | G | 89.1 | Confident | 89.1 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N421 I422 V428 F429 | N421-G425 PolarHBondContact O-N 3.22Å; I422-G425 PolarHBondContact O-N 3.42Å; G425-V428 PolarHBondContact O-N 3Å; G425-F429 VanDerWaalsContact O-CB 3.3Å; G425-F429 WeakPolarHBondContact O-CB 3.36Å; G425-F429 PolarHBondContact O-N 2.9Å |
| 426 | L | 90.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 54 Ų | 54 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.2 | -175.2 | 67.3 | 0 | 0 | 0 | 112 | I422 W423 Y424 V428 F429 V430 | I422-L426 WeakPolarHBondContact O-CB 3.38Å; I422-L426 PolarHBondContact O-N 3.35Å; W423-L426 HydrophobicContact CE3-CD2 4.24Å; W423-L426 HydrophobicContact CZ3-CD2 4.25Å; W423-L426 PolarHBondContact O-N 3.31Å; Y424-L426 VanDerWaalsContact C-N 3.31Å; Y424-L426 PolarHBondContact O-N 3.34Å; L426-V428 PolarHBondContact O-N 2.89Å; L426-F429 PolarHBondContact O-N 3.15Å; L426-V430 HydrophobicContact CD1-CG2 4.09Å; L426-V430 HydrophobicContact CG-CG2 4.27Å; L426-V430 WeakPolarHBondContact O-CB 3.34Å; L426-V430 VanDerWaalsContact O-CG2 3.27Å; L426-V430 WeakPolarHBondContact O-CG2 3.46Å; L426-V430 PolarHBondContact O-N 3.49Å |
| 427 | L | 93 | Very high | 89.1 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 176.6 | -179.2 | 155.1 | 0 | 0 | 0 | 111.1 | W423 Y424 V430 T431 F522 L526 F544 | W423-L427 WeakPolarHBondContact O-CB 3.41Å; W423-L427 PolarHBondContact O-N 3.43Å; Y424-L427 PolarHBondContact O-N 3.05Å; L427-V430 PolarHBondContact O-N 3.39Å; L427-T431 HydrophobicContact CD2-CG2 4.3Å; L427-T431 WeakPolarHBondContact O-CB 3.32Å; L427-T431 WeakPolarHBondContact O-CG2 3.48Å; L427-T431 PolarHBondContact O-N 3.05Å; L427-T431 PolarHBondContact O-OG1 3.41Å; L427-F522 HydrophobicContact CD1-CB 4.04Å; L427-L526 HydrophobicContact CD1-CD1 3.83Å; L427-F544 HydrophobicContact CD2-CZ 4.41Å |
| 428 | V | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 111 | V413 F416 Y424 G425 L426 T431 M432 I548 L551 | V413-V428 HydrophobicContact CG2-CG1 4.24Å; F416-V428 HydrophobicContact CD2-CB 4.38Å; F416-V428 HydrophobicContact CD2-CG1 4.37Å; F416-V428 HydrophobicContact CD2-CG2 3.77Å; F416-V428 HydrophobicContact CE2-CG2 4.03Å; F416-V428 HydrophobicContact CG-CG2 4.17Å; Y424-V428 WeakPolarHBondContact O-CG2 3.33Å; Y424-V428 PolarHBondContact O-N 3.14Å; G425-V428 PolarHBondContact O-N 3Å; L426-V428 PolarHBondContact O-N 2.89Å; V428-T431 WeakPolarHBondContact CA-OG1 3.38Å; V428-T431 PolarHBondContact O-OG1 2.98Å; V428-M432 HydrophobicContact CG1-CG 4.14Å; V428-M432 VanDerWaalsContact O-CB 3.29Å; V428-M432 WeakPolarHBondContact O-CB 3.31Å; V428-M432 WeakPolarHBondContact O-CG 3.28Å; V428-M432 PolarHBondContact O-N 3.13Å; V428-I548 HydrophobicContact CG1-CD1 4.41Å; V428-I548 HydrophobicContact CG2-CD1 3.57Å; V428-L551 HydrophobicContact CG1-CD1 4.06Å |
| 429 | F | 92 | Very high | 89.9 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 43% | 0.425 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 177.9 | 178 | -103.6 | 0 | 0 | 0 | 112.2 | V413 G425 L426 M432 L433 | V413-F429 HydrophobicContact CG1-CB 4.33Å; V413-F429 HydrophobicContact CG2-CB 3.91Å; V413-F429 HydrophobicContact CG2-CD2 4.37Å; G425-F429 VanDerWaalsContact O-CB 3.3Å; G425-F429 WeakPolarHBondContact O-CB 3.36Å; G425-F429 PolarHBondContact O-N 2.9Å; L426-F429 PolarHBondContact O-N 3.15Å; F429-M432 PolarHBondContact O-N 3.26Å; F429-L433 HydrophobicContact CE1-CD2 4.03Å; F429-L433 HydrophobicContact CZ-CD2 4.14Å; F429-L433 WeakPolarHBondContact O-CB 3.47Å; F429-L433 PolarHBondContact O-N 2.79Å |
| 430 | V | 93 | Very high | 90 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 38% | 0.376 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | -178.4 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L426 L427 L433 I434 | L426-V430 HydrophobicContact CD1-CG2 4.09Å; L426-V430 HydrophobicContact CG-CG2 4.27Å; L426-V430 WeakPolarHBondContact O-CB 3.34Å; L426-V430 VanDerWaalsContact O-CG2 3.27Å; L426-V430 WeakPolarHBondContact O-CG2 3.46Å; L426-V430 PolarHBondContact O-N 3.49Å; L427-V430 PolarHBondContact O-N 3.39Å; V430-L433 PolarHBondContact O-N 3.42Å; V430-I434 HydrophobicContact CG1-CD1 3.67Å; V430-I434 HydrophobicContact CG1-CG1 4.39Å; V430-I434 WeakPolarHBondContact O-CB 3.35Å; V430-I434 VanDerWaalsContact O-CG1 3.24Å; V430-I434 WeakPolarHBondContact O-CG1 3.49Å; V430-I434 PolarHBondContact O-N 2.98Å |
| 431 | T | 92.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 15% | 0.153 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 179.4 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | L427 V428 Y435 G519 | L427-T431 HydrophobicContact CD2-CG2 4.3Å; L427-T431 WeakPolarHBondContact O-CB 3.32Å; L427-T431 WeakPolarHBondContact O-CG2 3.48Å; L427-T431 PolarHBondContact O-N 3.05Å; L427-T431 PolarHBondContact O-OG1 3.41Å; V428-T431 WeakPolarHBondContact CA-OG1 3.38Å; V428-T431 PolarHBondContact O-OG1 2.98Å; T431-Y435 WeakPolarHBondContact O-CB 3.48Å; T431-Y435 PolarHBondContact O-N 3.26Å; T431-G519 VanDerWaalsContact CG2-CA 3.46Å |
| 432 | M | 91.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 178.1 | -65.1 | -65 | 156.3 | 0 | 0 | 112.4 | I409 V428 F429 Y435 L436 L551 L555 | I409-M432 HydrophobicContact CG2-CB 4.4Å; V428-M432 HydrophobicContact CG1-CG 4.14Å; V428-M432 VanDerWaalsContact O-CB 3.29Å; V428-M432 WeakPolarHBondContact O-CB 3.31Å; V428-M432 WeakPolarHBondContact O-CG 3.28Å; V428-M432 PolarHBondContact O-N 3.13Å; F429-M432 PolarHBondContact O-N 3.26Å; M432-Y435 PolarHBondContact O-N 3.49Å; M432-L436 WeakPolarHBondContact O-CB 3.46Å; M432-L436 PolarHBondContact O-N 3.5Å; M432-L551 HydrophobicContact CE-CB 4Å; M432-L555 HydrophobicContact SD-CD2 3.67Å |
| 433 | L | 91.5 | Very high | 90.4 | Very high | 84 Ų | 84 | 47 Ų | 47 | 44% | 0.44 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.7 | -48.1 | 176.2 | -177 | 66.2 | 0 | 0 | 0 | 111.3 | F429 V430 Y435 L436 V437 | F429-L433 HydrophobicContact CE1-CD2 4.03Å; F429-L433 HydrophobicContact CZ-CD2 4.14Å; F429-L433 WeakPolarHBondContact O-CB 3.47Å; F429-L433 PolarHBondContact O-N 2.79Å; V430-L433 PolarHBondContact O-N 3.42Å; L433-Y435 VanDerWaalsContact C-N 3.26Å; L433-Y435 PolarHBondContact O-N 3.36Å; L433-L436 PolarHBondContact O-N 3.11Å; L433-V437 HydrophobicContact CD1-CG2 4.14Å; L433-V437 HydrophobicContact CG-CG2 4.41Å; L433-V437 WeakPolarHBondContact O-CB 3.42Å; L433-V437 VanDerWaalsContact O-CG2 3.28Å; L433-V437 WeakPolarHBondContact O-CG2 3.48Å; L433-V437 PolarHBondContact O-N 2.95Å |
| 434 | I | 92.9 | Very high | 90.1 | Very high | 87 Ų | 87 | 41.9 Ų | 41.9 | 45% | 0.446 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.3 | -69.4 | 168.6 | 0 | 0 | 0 | 109.8 | V430 S438 V515 | V430-I434 HydrophobicContact CG1-CD1 3.67Å; V430-I434 HydrophobicContact CG1-CG1 4.39Å; V430-I434 WeakPolarHBondContact O-CB 3.35Å; V430-I434 VanDerWaalsContact O-CG1 3.24Å; V430-I434 WeakPolarHBondContact O-CG1 3.49Å; V430-I434 PolarHBondContact O-N 2.98Å; I434-S438 WeakPolarHBondContact O-CB 3.37Å; I434-S438 PolarHBondContact O-N 2.86Å; I434-S438 PolarHBondContact O-OG 3.3Å; I434-V515 HydrophobicContact CB-CG1 4.4Å; I434-V515 HydrophobicContact CG2-CG1 3.94Å; I434-V515 HydrophobicContact CG2-CG2 4.09Å |
| 435 | Y | 92.5 | Very high | 90 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -51.2 | 177.2 | -171.8 | -75.4 | 0 | 0 | 0 | 112 | T431 M432 L433 S438 T439 Q512 V515 Y552 L555 S556 | T431-Y435 WeakPolarHBondContact O-CB 3.48Å; T431-Y435 PolarHBondContact O-N 3.26Å; M432-Y435 PolarHBondContact O-N 3.49Å; L433-Y435 VanDerWaalsContact C-N 3.26Å; L433-Y435 PolarHBondContact O-N 3.36Å; Y435-S438 PolarHBondContact O-OG 3.32Å; Y435-T439 WeakPolarHBondContact CD1-OG1 3.48Å; Y435-T439 WeakPolarHBondContact CE1-OG1 3.46Å; Y435-T439 WeakPolarHBondContact O-CB 3.48Å; Y435-T439 PolarHBondContact O-N 3.11Å; Y435-T439 PolarHBondContact O-OG1 3.09Å; Y435-Q512 HydrophobicContact CD2-CB 4.34Å; Y435-Q512 HydrophobicContact CD2-CG 4.3Å; Y435-Q512 HydrophobicContact CE1-CG 4.19Å; Y435-Q512 HydrophobicContact CE2-CB 3.41Å; Y435-Q512 VanDerWaalsContact CE2-CB 3.41Å; Y435-Q512 HydrophobicContact CE2-CG 3.5Å; Y435-Q512 VanDerWaalsContact CE2-CG 3.5Å; Y435-Q512 VanDerWaalsContact CZ-CG 3.48Å; Y435-Q512 PolarHBondContact OH-NE2 3.45Å; Y435-Q512 PolarHBondContact OH-OE1 3.49Å; Y435-V515 HydrophobicContact CD2-CG1 4.34Å; Y435-Y552 HydrophobicContact CD2-CE2 4.38Å; Y435-Y552 HydrophobicContact CE2-CD2 4.03Å; Y435-Y552 AromaticContact CE2-CE2 3.43Å; Y435-Y552 HydrophobicContact CE2-CE2 3.43Å; Y435-Y552 VanDerWaalsContact CE2-CE2 3.43Å; Y435-Y552 AromaticContact CZ-CE2 3.58Å; Y435-Y552 VanDerWaalsContact OH-CE2 3.31Å; Y435-Y552 WeakPolarHBondContact OH-CE2 3.43Å; Y435-L555 HydrophobicContact CD1-CB 4.33Å; Y435-L555 HydrophobicContact CD1-CD1 4.23Å; Y435-L555 HydrophobicContact CD1-CD2 3.07Å; Y435-L555 HydrophobicContact CD1-CG 3.28Å; Y435-L555 HydrophobicContact CD2-CD2 4.44Å; Y435-L555 HydrophobicContact CE1-CB 4.04Å; Y435-L555 HydrophobicContact CE1-CD1 4.5Å; Y435-L555 HydrophobicContact CE1-CD2 3.64Å; Y435-L555 HydrophobicContact CE1-CG 3.37Å; Y435-L555 HydrophobicContact CG-CD2 3.53Å; Y435-L555 HydrophobicContact CG-CG 4.23Å; Y435-S556 WeakPolarHBondContact OH-CA 3.41Å |
| 436 | L | 89.1 | Confident | 90.1 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | -177 | -174 | 150.3 | 0 | 0 | 0 | 110.9 | M432 L433 T439 V440 L555 F558 | M432-L436 WeakPolarHBondContact O-CB 3.46Å; M432-L436 PolarHBondContact O-N 3.5Å; L433-L436 PolarHBondContact O-N 3.11Å; L436-T439 PolarHBondContact O-N 3.34Å; L436-V440 HydrophobicContact CD2-CG2 4.4Å; L436-V440 WeakPolarHBondContact O-CG2 3.18Å; L436-V440 PolarHBondContact O-N 3.41Å; L436-L555 HydrophobicContact CD1-CD1 4.38Å; L436-F558 HydrophobicContact CD1-CE1 4.29Å; L436-F558 HydrophobicContact CD1-CE2 4.5Å; L436-F558 HydrophobicContact CD1-CZ 4.11Å; L436-F558 HydrophobicContact CG-CE1 4.14Å; L436-F558 HydrophobicContact CG-CZ 4.44Å |
| 437 | V | 90 | Very high | 89.8 | Confident | 68 Ų | 68 | 44 Ų | 44 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.3 | -49.7 | 179.6 | 173 | 0 | 0 | 0 | 0 | 110.9 | L433 T439 V440 L441 | L433-V437 HydrophobicContact CD1-CG2 4.14Å; L433-V437 HydrophobicContact CG-CG2 4.41Å; L433-V437 WeakPolarHBondContact O-CB 3.42Å; L433-V437 VanDerWaalsContact O-CG2 3.28Å; L433-V437 WeakPolarHBondContact O-CG2 3.48Å; L433-V437 PolarHBondContact O-N 2.95Å; V437-T439 VanDerWaalsContact C-N 3.31Å; V437-T439 PolarHBondContact O-N 3.42Å; V437-V440 PolarHBondContact O-N 3.23Å; V437-L441 HydrophobicContact CG1-CD1 3.78Å; V437-L441 HydrophobicContact CG1-CG 4.33Å; V437-L441 VanDerWaalsContact O-CG 3.3Å; V437-L441 WeakPolarHBondContact O-CG 3.49Å; V437-L441 PolarHBondContact O-N 2.95Å |
| 438 | S | 90.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 112 | I434 Y435 V440 L441 I442 | I434-S438 WeakPolarHBondContact O-CB 3.37Å; I434-S438 PolarHBondContact O-N 2.86Å; I434-S438 PolarHBondContact O-OG 3.3Å; Y435-S438 PolarHBondContact O-OG 3.32Å; S438-V440 PolarHBondContact O-N 2.98Å; S438-L441 PolarHBondContact O-N 3.15Å; S438-I442 WeakPolarHBondContact O-CB 3.19Å; S438-I442 WeakPolarHBondContact O-CD1 3.35Å; S438-I442 VanDerWaalsContact O-CG1 3.22Å; S438-I442 WeakPolarHBondContact O-CG1 3.38Å; S438-I442 PolarHBondContact O-N 3.37Å |
| 439 | T | 89.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 176.7 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | Y435 L436 V437 T443 Q512 | Y435-T439 WeakPolarHBondContact CD1-OG1 3.48Å; Y435-T439 WeakPolarHBondContact CE1-OG1 3.46Å; Y435-T439 WeakPolarHBondContact O-CB 3.48Å; Y435-T439 PolarHBondContact O-N 3.11Å; Y435-T439 PolarHBondContact O-OG1 3.09Å; L436-T439 PolarHBondContact O-N 3.34Å; V437-T439 VanDerWaalsContact C-N 3.31Å; V437-T439 PolarHBondContact O-N 3.42Å; T439-T443 WeakPolarHBondContact O-CB 3.3Å; T439-T443 PolarHBondContact O-N 2.93Å; T439-T443 PolarHBondContact O-OG1 2.86Å; T439-Q512 PolarHBondContact OG1-NE2 2.99Å |
| 440 | V | 84.3 | Confident | 89.5 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 19% | 0.194 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 179.4 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L436 V437 S438 T443 E444 F558 Y562 | L436-V440 HydrophobicContact CD2-CG2 4.4Å; L436-V440 WeakPolarHBondContact O-CG2 3.18Å; L436-V440 PolarHBondContact O-N 3.41Å; V437-V440 PolarHBondContact O-N 3.23Å; S438-V440 PolarHBondContact O-N 2.98Å; V440-T443 PolarHBondContact O-N 3.24Å; V440-E444 PolarHBondContact O-N 3.32Å; V440-F558 HydrophobicContact CG2-CE1 4.09Å; V440-Y562 HydrophobicContact CG1-CE1 4.13Å |
| 441 | L | 87.4 | Confident | 89.3 | Confident | 116 Ų | 116 | 58 Ų | 58 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.7 | -47.8 | -177.9 | -68.8 | 175.3 | 0 | 0 | 0 | 112.5 | V437 S438 E444 W445 | V437-L441 HydrophobicContact CG1-CD1 3.78Å; V437-L441 HydrophobicContact CG1-CG 4.33Å; V437-L441 VanDerWaalsContact O-CG 3.3Å; V437-L441 WeakPolarHBondContact O-CG 3.49Å; V437-L441 PolarHBondContact O-N 2.95Å; S438-L441 PolarHBondContact O-N 3.15Å; L441-E444 PolarHBondContact O-N 3.18Å; L441-W445 PolarHBondContact O-N 3.31Å |
| 442 | I | 90.1 | Very high | 89.3 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 179.1 | -64.7 | 164.7 | 0 | 0 | 0 | 109.8 | S438 E444 W445 R446 L508 I511 | S438-I442 WeakPolarHBondContact O-CB 3.19Å; S438-I442 WeakPolarHBondContact O-CD1 3.35Å; S438-I442 VanDerWaalsContact O-CG1 3.22Å; S438-I442 WeakPolarHBondContact O-CG1 3.38Å; S438-I442 PolarHBondContact O-N 3.37Å; I442-E444 VanDerWaalsContact C-N 3.29Å; I442-E444 PolarHBondContact O-N 3.28Å; I442-W445 HydrophobicContact CG2-CE3 4.49Å; I442-W445 PolarHBondContact O-N 3.09Å; I442-R446 HydrophobicContact CG2-CG 4.08Å; I442-R446 WeakPolarHBondContact O-CB 3.35Å; I442-R446 WeakPolarHBondContact O-CG 3.46Å; I442-R446 PolarHBondContact O-N 3.3Å; I442-L508 HydrophobicContact CB-CD1 3.85Å; I442-L508 HydrophobicContact CD1-CD1 4.15Å; I442-L508 HydrophobicContact CG2-CB 3.9Å; I442-L508 HydrophobicContact CG2-CD1 3.73Å; I442-L508 HydrophobicContact CG2-CG 4.35Å; I442-I511 HydrophobicContact CD1-CB 4.24Å; I442-I511 HydrophobicContact CD1-CD1 3.64Å; I442-I511 HydrophobicContact CD1-CG2 3.94Å |
| 443 | T | 87.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 179.2 | -64 | 0 | 0 | 0 | 0 | 112.3 | T439 V440 A447 R563 | T439-T443 WeakPolarHBondContact O-CB 3.3Å; T439-T443 PolarHBondContact O-N 2.93Å; T439-T443 PolarHBondContact O-OG1 2.86Å; V440-T443 PolarHBondContact O-N 3.24Å; T443-A447 PolarHBondContact O-N 3.03Å; T443-R563 HydrophobicContact CG2-CG 3.38Å |
| 444 | E | 83.1 | Confident | 89.6 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 174.7 | -168.5 | 62.5 | -144.7 | 0 | 0 | 111.4 | V440 L441 I442 R446 A447 Q566 | V440-E444 PolarHBondContact O-N 3.32Å; L441-E444 PolarHBondContact O-N 3.18Å; I442-E444 VanDerWaalsContact C-N 3.29Å; I442-E444 PolarHBondContact O-N 3.28Å; E444-R446 VanDerWaalsContact C-N 3.33Å; E444-R446 PolarHBondContact O-N 3.46Å; E444-A447 VanDerWaalsContact O-CB 3.3Å; E444-A447 WeakPolarHBondContact O-CB 2.9Å; E444-A447 PolarHBondContact O-N 3.04Å; E444-Q566 PolarHBondContact OE2-NE2 3.41Å |
| 445 | W | 89.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 61 Ų | 61 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 174.1 | 174.9 | 76.4 | 0 | 0 | 0 | 112.1 | L441 I442 A447 K448 F449 T504 L507 | L441-W445 PolarHBondContact O-N 3.31Å; I442-W445 HydrophobicContact CG2-CE3 4.49Å; I442-W445 PolarHBondContact O-N 3.09Å; W445-A447 PolarHBondContact O-N 3.08Å; W445-K448 PolarHBondContact O-N 3.39Å; W445-F449 HydrophobicContact CD2-CE2 4.04Å; W445-F449 AromaticContact CE2-CE2 3.55Å; W445-F449 HydrophobicContact CE3-CE2 4.35Å; W445-F449 AromaticContact CH2-CE2 3.79Å; W445-F449 HydrophobicContact CH2-CE2 3.79Å; W445-F449 HydrophobicContact CH2-CZ 4.28Å; W445-F449 AromaticContact CZ2-CE2 3.42Å; W445-F449 HydrophobicContact CZ2-CE2 3.42Å; W445-F449 VanDerWaalsContact CZ2-CE2 3.42Å; W445-F449 AromaticContact CZ2-CZ 3.77Å; W445-F449 HydrophobicContact CZ2-CZ 3.77Å; W445-F449 HydrophobicContact CZ3-CE2 4.24Å; W445-T504 HydrophobicContact CE3-CG2 4.45Å; W445-T504 HydrophobicContact CH2-CG2 3.74Å; W445-T504 HydrophobicContact CZ3-CG2 3.58Å; W445-L507 HydrophobicContact CH2-CD2 4.42Å; W445-L507 HydrophobicContact CZ3-CD2 4.2Å |
| 446 | R | 90 | Very high | 89.8 | Confident | 11 Ų | 11 | 62 Ų | 62 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -29.9 | 176.4 | -74.7 | -178 | 63.4 | -141.9 | -7.9 | 114 | I442 E444 K448 F449 R450 T504 L505 | I442-R446 HydrophobicContact CG2-CG 4.08Å; I442-R446 WeakPolarHBondContact O-CB 3.35Å; I442-R446 WeakPolarHBondContact O-CG 3.46Å; I442-R446 PolarHBondContact O-N 3.3Å; E444-R446 VanDerWaalsContact C-N 3.33Å; E444-R446 PolarHBondContact O-N 3.46Å; R446-K448 PolarHBondContact O-N 3.24Å; R446-K448 VanDerWaalsContact O-N 3.17Å; R446-F449 PolarHBondContact O-N 2.87Å; R446-R450 PolarHBondContact O-N 3.3Å; R446-R450 VanDerWaalsContact O-N 3.16Å; R446-T504 VanDerWaalsContact CD-O 3.26Å; R446-T504 WeakPolarHBondContact CD-O 3.39Å; R446-T504 WeakPolarHBondContact CG-OG1 3.37Å; R446-T504 PolarHBondContact NE-O 2.9Å; R446-T504 PolarHBondContact NE-OG1 3.33Å; R446-L505 VanDerWaalsContact CZ-CA 3.46Å; R446-L505 VanDerWaalsContact NH2-CD1 3.32Å |
| 447 | A | 84.6 | Confident | 90.1 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -29.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | T443 E444 W445 R450 R451 | T443-A447 PolarHBondContact O-N 3.03Å; E444-A447 VanDerWaalsContact O-CB 3.3Å; E444-A447 WeakPolarHBondContact O-CB 2.9Å; E444-A447 PolarHBondContact O-N 3.04Å; W445-A447 PolarHBondContact O-N 3.08Å; A447-R450 PolarHBondContact O-N 3.26Å; A447-R451 VanDerWaalsContact O-CG 3.31Å; A447-R451 WeakPolarHBondContact O-CG 3.32Å; A447-R451 PolarHBondContact O-N 3.06Å |
| 448 | K | 89.4 | Confident | 90.2 | Very high | 145 Ų | 145 | 63.1 Ų | 63.1 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 176.8 | -63.1 | -178.2 | 179.5 | -178 | 0 | 112.2 | W445 R446 R450 R451 E452 | W445-K448 PolarHBondContact O-N 3.39Å; R446-K448 PolarHBondContact O-N 3.24Å; R446-K448 VanDerWaalsContact O-N 3.17Å; K448-R450 VanDerWaalsContact C-N 3.31Å; K448-R450 PolarHBondContact O-N 3.45Å; K448-R451 PolarHBondContact O-N 3.21Å; K448-E452 PolarHBondContact O-N 3.48Å; K448-E452 VanDerWaalsContact O-N 3.08Å |
| 449 | F | 92.5 | Very high | 90.3 | Very high | 57 Ų | 57 | 66.2 Ų | 66.2 | 25% | 0.25 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 177.6 | -62.9 | -79.5 | 0 | 0 | 0 | 112.1 | W445 R446 R451 E452 M453 W500 N501 T504 | W445-F449 HydrophobicContact CD2-CE2 4.04Å; W445-F449 AromaticContact CE2-CE2 3.55Å; W445-F449 HydrophobicContact CE3-CE2 4.35Å; W445-F449 AromaticContact CH2-CE2 3.79Å; W445-F449 HydrophobicContact CH2-CE2 3.79Å; W445-F449 HydrophobicContact CH2-CZ 4.28Å; W445-F449 AromaticContact CZ2-CE2 3.42Å; W445-F449 HydrophobicContact CZ2-CE2 3.42Å; W445-F449 VanDerWaalsContact CZ2-CE2 3.42Å; W445-F449 AromaticContact CZ2-CZ 3.77Å; W445-F449 HydrophobicContact CZ2-CZ 3.77Å; W445-F449 HydrophobicContact CZ3-CE2 4.24Å; R446-F449 PolarHBondContact O-N 2.87Å; F449-R451 VanDerWaalsContact C-N 3.35Å; F449-R451 PolarHBondContact O-N 3.06Å; F449-E452 PolarHBondContact O-N 3.16Å; F449-M453 WeakPolarHBondContact O-CB 3.42Å; F449-M453 PolarHBondContact O-N 3.12Å; F449-W500 HydrophobicContact CD1-CB 3.82Å; F449-W500 HydrophobicContact CD1-CG 4.44Å; F449-W500 HydrophobicContact CE1-CB 4.29Å; F449-W500 HydrophobicContact CE1-CG 4.48Å; F449-N501 HydrophobicContact CB-CB 4.49Å; F449-T504 HydrophobicContact CD2-CG2 3.65Å; F449-T504 HydrophobicContact CE2-CG2 3.94Å; F449-T504 HydrophobicContact CG-CG2 4.05Å |
| 450 | R | 88.7 | Confident | 90.5 | Very high | 115 Ų | 115 | 67.2 Ų | 67.2 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.5 | -169.9 | 168.3 | -174.1 | -178.8 | 3 | 112.6 | R446 A447 K448 M453 N454 | R446-R450 PolarHBondContact O-N 3.3Å; R446-R450 VanDerWaalsContact O-N 3.16Å; A447-R450 PolarHBondContact O-N 3.26Å; K448-R450 VanDerWaalsContact C-N 3.31Å; K448-R450 PolarHBondContact O-N 3.45Å; R450-M453 HydrophobicContact CG-CE 4.42Å; R450-N454 WeakPolarHBondContact O-CB 3.41Å; R450-N454 VanDerWaalsContact O-CG 3.24Å; R450-N454 PolarHBondContact O-N 2.91Å |
| 451 | R | 88.2 | Confident | 90.9 | Very high | 162 Ų | 162 | 69 Ų | 69 | 61% | 0.611 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 175.3 | -75.4 | 175 | -172.8 | 155.1 | 6.2 | 111.3 | A447 K448 F449 N454 N455 | A447-R451 VanDerWaalsContact O-CG 3.31Å; A447-R451 WeakPolarHBondContact O-CG 3.32Å; A447-R451 PolarHBondContact O-N 3.06Å; K448-R451 PolarHBondContact O-N 3.21Å; F449-R451 VanDerWaalsContact C-N 3.35Å; F449-R451 PolarHBondContact O-N 3.06Å; R451-N454 PolarHBondContact O-N 3.19Å; R451-N455 PolarHBondContact O-N 3.31Å |
| 452 | E | 93.9 | Very high | 91.2 | Very high | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 177.8 | -174.2 | 59.4 | -163.6 | 0 | 0 | 111.8 | K448 F449 N454 N455 L456 A497 | K448-E452 PolarHBondContact O-N 3.48Å; K448-E452 VanDerWaalsContact O-N 3.08Å; F449-E452 PolarHBondContact O-N 3.16Å; E452-N454 VanDerWaalsContact C-N 3.33Å; E452-N454 PolarHBondContact O-N 3.39Å; E452-N455 WeakPolarHBondContact O-CB 3.31Å; E452-N455 PolarHBondContact O-N 2.89Å; E452-N455 VanDerWaalsContact O-N 3.13Å; E452-L456 HydrophobicContact CG-CD1 4.21Å; E452-L456 PolarHBondContact O-N 3.3Å; E452-A497 HydrophobicContact CG-CB 4.4Å |
| 453 | M | 95.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 68 Ų | 68 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.4 | -46 | 175.1 | -178.6 | -155.4 | 76.1 | 0 | 0 | 111.8 | F449 R450 N455 L456 D457 Y494 A497 D498 N501 | F449-M453 WeakPolarHBondContact O-CB 3.42Å; F449-M453 PolarHBondContact O-N 3.12Å; R450-M453 HydrophobicContact CG-CE 4.42Å; M453-N455 VanDerWaalsContact C-N 3.34Å; M453-N455 PolarHBondContact O-N 3.02Å; M453-L456 PolarHBondContact O-N 3.38Å; M453-D457 WeakPolarHBondContact O-CB 3.36Å; M453-D457 PolarHBondContact O-N 3.18Å; M453-Y494 HydrophobicContact CG-CD2 4.36Å; M453-Y494 HydrophobicContact CG-CE2 3.88Å; M453-A497 HydrophobicContact CB-CB 4.23Å; M453-D498 HydrophobicContact CG-CB 4.22Å; M453-D498 HydrophobicContact SD-CB 4.42Å; M453-N501 HydrophobicContact CB-CB 4.48Å; M453-N501 HydrophobicContact SD-CB 3.99Å; M453-N501 PolarHBondContact SD-ND2 3.03Å |
| 454 | N | 91.8 | Very high | 91.6 | Very high | 74 Ų | 74 | 69.6 Ų | 69.6 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 177.7 | -74 | -8.7 | 0 | 0 | 0 | 112.7 | R450 R451 E452 N458 | R450-N454 WeakPolarHBondContact O-CB 3.41Å; R450-N454 VanDerWaalsContact O-CG 3.24Å; R450-N454 PolarHBondContact O-N 2.91Å; R451-N454 PolarHBondContact O-N 3.19Å; E452-N454 VanDerWaalsContact C-N 3.33Å; E452-N454 PolarHBondContact O-N 3.39Å; N454-N458 VanDerWaalsContact O-CG 3.27Å; N454-N458 PolarHBondContact O-N 2.84Å; N454-N458 PolarHBondContact O-ND2 3.41Å |
| 455 | N | 93.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 177.1 | -174.1 | 23.6 | 0 | 0 | 0 | 110.8 | R451 E452 M453 N458 Q459 | R451-N455 PolarHBondContact O-N 3.31Å; E452-N455 WeakPolarHBondContact O-CB 3.31Å; E452-N455 PolarHBondContact O-N 2.89Å; E452-N455 VanDerWaalsContact O-N 3.13Å; M453-N455 VanDerWaalsContact C-N 3.34Å; M453-N455 PolarHBondContact O-N 3.02Å; N455-N458 PolarHBondContact O-N 3.47Å; N455-Q459 PolarHBondContact ND2-NE2 3.32Å; N455-Q459 WeakPolarHBondContact O-CG 3.1Å; N455-Q459 PolarHBondContact O-N 3.37Å; N455-Q459 PolarHBondContact OD1-NE2 3.29Å |
| 456 | L | 95.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 177.3 | -67.8 | 168.8 | 0 | 0 | 0 | 112.4 | E452 M453 Q459 K460 D493 A497 | E452-L456 HydrophobicContact CG-CD1 4.21Å; E452-L456 PolarHBondContact O-N 3.3Å; M453-L456 PolarHBondContact O-N 3.38Å; L456-Q459 PolarHBondContact O-N 2.83Å; L456-K460 WeakPolarHBondContact O-CB 3.21Å; L456-K460 PolarHBondContact O-N 3.29Å; L456-D493 HydrophobicContact CD2-CB 4.34Å; L456-A497 HydrophobicContact CD1-CB 3.56Å |
| 457 | D | 95.5 | Very high | 92.5 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 172.5 | -174.6 | 48.6 | 0 | 0 | 0 | 111.7 | M453 K460 N461 Y494 | M453-D457 WeakPolarHBondContact O-CB 3.36Å; M453-D457 PolarHBondContact O-N 3.18Å; D457-K460 PolarHBondContact O-N 3.22Å; D457-K460 WeakPolarHBondContact OD1-CE 3.27Å; D457-K460 IonicContact OD1-NZ 2.76Å; D457-K460 PolarHBondContact OD1-NZ 3.41Å; D457-N461 VanDerWaalsContact O-CG 3.3Å; D457-N461 PolarHBondContact O-N 2.96Å; D457-N461 PolarHBondContact O-ND2 2.88Å; D457-Y494 HydrophobicContact CB-CD2 3.84Å; D457-Y494 HydrophobicContact CB-CE2 3.81Å |
| 458 | N | 92.4 | Very high | 92.9 | Very high | 95 Ų | 95 | 72.7 Ų | 72.7 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 174.8 | -72.4 | -30.7 | 0 | 0 | 0 | 111.6 | N454 N455 K460 N461 T462 | N454-N458 VanDerWaalsContact O-CG 3.27Å; N454-N458 PolarHBondContact O-N 2.84Å; N454-N458 PolarHBondContact O-ND2 3.41Å; N455-N458 PolarHBondContact O-N 3.47Å; N458-K460 PolarHBondContact O-N 3.22Å; N458-N461 PolarHBondContact O-N 2.9Å; N458-T462 WeakPolarHBondContact O-CB 3.26Å; N458-T462 PolarHBondContact O-N 3.12Å; N458-T462 PolarHBondContact O-OG1 3.47Å; N458-T462 VanDerWaalsContact O-OG1 3.04Å |
| 459 | Q | 92.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 71.8 Ų | 71.8 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.5 | -71.6 | 175.1 | 27.9 | 0 | 0 | 112.5 | N455 L456 T462 K463 | N455-Q459 PolarHBondContact ND2-NE2 3.32Å; N455-Q459 WeakPolarHBondContact O-CG 3.1Å; N455-Q459 PolarHBondContact O-N 3.37Å; N455-Q459 PolarHBondContact OD1-NE2 3.29Å; L456-Q459 PolarHBondContact O-N 2.83Å; Q459-T462 PolarHBondContact O-N 2.88Å; Q459-K463 WeakPolarHBondContact O-CG 3.41Å; Q459-K463 PolarHBondContact O-N 2.65Å |
| 460 | K | 94.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 9% | 0.087 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.5 | -48.8 | 172.2 | 174.5 | -156.5 | 66.8 | -174.5 | 0 | 110.5 | L456 D457 N458 K463 A464 Y487 A490 F491 | L456-K460 WeakPolarHBondContact O-CB 3.21Å; L456-K460 PolarHBondContact O-N 3.29Å; D457-K460 PolarHBondContact O-N 3.22Å; D457-K460 WeakPolarHBondContact OD1-CE 3.27Å; D457-K460 IonicContact OD1-NZ 2.76Å; D457-K460 PolarHBondContact OD1-NZ 3.41Å; N458-K460 PolarHBondContact O-N 3.22Å; K460-K463 PolarHBondContact O-N 3.16Å; K460-A464 PolarHBondContact O-N 3.41Å; K460-Y487 HydrophobicContact CD-CE2 4.31Å; K460-Y487 HydrophobicContact CG-CD2 4.23Å; K460-Y487 HydrophobicContact CG-CE2 3.59Å; K460-A490 HydrophobicContact CB-CB 4.19Å; K460-F491 HydrophobicContact CD-CD2 3.64Å; K460-F491 HydrophobicContact CD-CE2 4.17Å; K460-F491 HydrophobicContact CD-CG 4.48Å; K460-F491 HydrophobicContact CG-CD2 4.43Å |
| 461 | N | 93.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 179.7 | -69.7 | -23.7 | 0 | 0 | 0 | 112.4 | D457 N458 A464 V465 | D457-N461 VanDerWaalsContact O-CG 3.3Å; D457-N461 PolarHBondContact O-N 2.96Å; D457-N461 PolarHBondContact O-ND2 2.88Å; N458-N461 PolarHBondContact O-N 2.9Å; N461-A464 PolarHBondContact O-N 2.84Å; N461-V465 WeakPolarHBondContact O-CG2 3.37Å; N461-V465 PolarHBondContact O-N 3.48Å |
| 462 | T | 93.1 | Very high | 93.7 | Very high | 75 Ų | 75 | 71 Ų | 71 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 176.5 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | N458 Q459 A464 V465 D466 | N458-T462 WeakPolarHBondContact O-CB 3.26Å; N458-T462 PolarHBondContact O-N 3.12Å; N458-T462 PolarHBondContact O-OG1 3.47Å; N458-T462 VanDerWaalsContact O-OG1 3.04Å; Q459-T462 PolarHBondContact O-N 2.88Å; T462-A464 VanDerWaalsContact C-N 3.29Å; T462-A464 PolarHBondContact O-N 3.05Å; T462-V465 PolarHBondContact O-N 3Å; T462-D466 WeakPolarHBondContact O-CB 3.27Å; T462-D466 VanDerWaalsContact O-CG 3.27Å; T462-D466 PolarHBondContact O-N 3.06Å |
| 463 | K | 92.2 | Very high | 93.9 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 22% | 0.217 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 176.6 | -73.4 | 171.2 | 172.9 | -174.2 | 0 | 112.2 | Q459 K460 S467 R486 A490 | Q459-K463 WeakPolarHBondContact O-CG 3.41Å; Q459-K463 PolarHBondContact O-N 2.65Å; K460-K463 PolarHBondContact O-N 3.16Å; K463-S467 PolarHBondContact O-N 3.17Å; K463-R486 HydrophobicContact CD-CG 4.11Å; K463-A490 HydrophobicContact CD-CB 3.65Å |
| 464 | A | 94.1 | Very high | 93.9 | Very high | 33 Ų | 33 | 69.7 Ų | 69.7 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K460 N461 T462 D466 S467 V468 Y487 | K460-A464 PolarHBondContact O-N 3.41Å; N461-A464 PolarHBondContact O-N 2.84Å; T462-A464 VanDerWaalsContact C-N 3.29Å; T462-A464 PolarHBondContact O-N 3.05Å; A464-D466 PolarHBondContact O-N 3.22Å; A464-S467 PolarHBondContact O-N 3.21Å; A464-V468 WeakPolarHBondContact O-CG2 3.43Å; A464-V468 PolarHBondContact O-N 3.18Å; A464-V468 VanDerWaalsContact O-N 3.11Å; A464-Y487 HydrophobicContact CB-CD2 4Å; A464-Y487 HydrophobicContact CB-CE2 3.85Å |
| 465 | V | 93.7 | Very high | 94.1 | Very high | 79 Ų | 79 | 71.9 Ų | 71.9 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 178.7 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | N461 T462 S467 V468 L469 | N461-V465 WeakPolarHBondContact O-CG2 3.37Å; N461-V465 PolarHBondContact O-N 3.48Å; T462-V465 PolarHBondContact O-N 3Å; V465-S467 VanDerWaalsContact C-N 3.35Å; V465-S467 PolarHBondContact O-N 3.27Å; V465-V468 PolarHBondContact O-N 2.99Å; V465-L469 HydrophobicContact CG1-CD1 3.54Å; V465-L469 HydrophobicContact CG1-CG 4.04Å; V465-L469 WeakPolarHBondContact O-CB 3.24Å; V465-L469 WeakPolarHBondContact O-CG 3.42Å; V465-L469 PolarHBondContact O-N 3.07Å |
| 466 | D | 92.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 76.9 Ų | 76.9 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | -179.9 | -71.7 | -18.4 | 0 | 0 | 0 | 112.1 | T462 A464 N470 | T462-D466 WeakPolarHBondContact O-CB 3.27Å; T462-D466 VanDerWaalsContact O-CG 3.27Å; T462-D466 PolarHBondContact O-N 3.06Å; A464-D466 PolarHBondContact O-N 3.22Å; D466-N470 WeakPolarHBondContact O-CB 3.14Å; D466-N470 PolarHBondContact O-N 3.43Å; D466-N470 VanDerWaalsContact O-N 3.11Å; D466-N470 PolarHBondContact O-ND2 3.35Å |
| 467 | S | 93.2 | Very high | 94.3 | Very high | 31 Ų | 31 | 84.2 Ų | 84.2 | 22% | 0.217 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 112 | K463 A464 V465 N470 F471 | K463-S467 PolarHBondContact O-N 3.17Å; A464-S467 PolarHBondContact O-N 3.21Å; V465-S467 VanDerWaalsContact C-N 3.35Å; V465-S467 PolarHBondContact O-N 3.27Å; S467-N470 CarbonylContact O-C 3.6Å; S467-F471 WeakPolarHBondContact O-CA 3.42Å; S467-F471 PolarHBondContact O-N 2.94Å |
| 468 | V | 93.9 | Very high | 94.3 | Very high | 105 Ų | 105 | 88.7 Ų | 88.7 | 64% | 0.636 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.2 | -39 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | A464 V465 N470 F471 | A464-V468 WeakPolarHBondContact O-CG2 3.43Å; A464-V468 PolarHBondContact O-N 3.18Å; A464-V468 VanDerWaalsContact O-N 3.11Å; V465-V468 PolarHBondContact O-N 2.99Å; V468-N470 VanDerWaalsContact C-N 3.29Å; V468-N470 PolarHBondContact O-N 3Å; V468-F471 PolarHBondContact O-N 3.49Å |
| 469 | L | 92.7 | Very high | 94.4 | Very high | 126 Ų | 126 | 85.3 Ų | 85.3 | 66% | 0.66 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.2 | -35.2 | 176.2 | -75.6 | 175.9 | 0 | 0 | 0 | 111.9 | V465 | V465-L469 HydrophobicContact CG1-CD1 3.54Å; V465-L469 HydrophobicContact CG1-CG 4.04Å; V465-L469 WeakPolarHBondContact O-CB 3.24Å; V465-L469 WeakPolarHBondContact O-CG 3.42Å; V465-L469 PolarHBondContact O-N 3.07Å |
| 470 | N | 94.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 84.4 Ų | 84.4 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 33.8 | -179.3 | -57.4 | -70.1 | 0 | 0 | 0 | 112.3 | D466 S467 V468 E472 T473 V474 | D466-N470 WeakPolarHBondContact O-CB 3.14Å; D466-N470 PolarHBondContact O-N 3.43Å; D466-N470 VanDerWaalsContact O-N 3.11Å; D466-N470 PolarHBondContact O-ND2 3.35Å; S467-N470 CarbonylContact O-C 3.6Å; V468-N470 VanDerWaalsContact C-N 3.29Å; V468-N470 PolarHBondContact O-N 3Å; N470-E472 PolarHBondContact O-N 3.35Å; N470-E472 VanDerWaalsContact O-N 3.16Å; N470-T473 WeakPolarHBondContact O-CB 3.35Å; N470-T473 PolarHBondContact O-N 3.3Å; N470-V474 PolarHBondContact O-N 2.83Å; N470-V474 VanDerWaalsContact O-N 3.14Å |
| 471 | F | 93.6 | Very high | 94.6 | Very high | 118 Ų | 118 | 89.4 Ų | 89.4 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.4 | -33.9 | -174.2 | 78.7 | -86 | 0 | 0 | 0 | 113.1 | S467 V468 T473 V474 K475 | S467-F471 WeakPolarHBondContact O-CA 3.42Å; S467-F471 PolarHBondContact O-N 2.94Å; V468-F471 PolarHBondContact O-N 3.49Å; F471-T473 VanDerWaalsContact C-N 3.33Å; F471-T473 PolarHBondContact O-N 3.46Å; F471-V474 PolarHBondContact O-N 3.03Å; F471-K475 WeakPolarHBondContact O-CB 3.49Å; F471-K475 VanDerWaalsContact O-CG 3.25Å; F471-K475 WeakPolarHBondContact O-CG 3.24Å; F471-K475 PolarHBondContact O-N 3.38Å |
| 472 | E | 96 | Very high | 94.8 | Very high | 110 Ų | 110 | 92.5 Ų | 92.5 | 51% | 0.514 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.8 | -64.5 | -176.4 | 160.5 | 0 | 0 | 111.2 | N470 K475 Y476 | N470-E472 PolarHBondContact O-N 3.35Å; N470-E472 VanDerWaalsContact O-N 3.16Å; E472-K475 PolarHBondContact O-N 2.93Å; E472-Y476 HydrophobicContact CB-CD2 4.41Å; E472-Y476 HydrophobicContact CB-CE2 4.03Å; E472-Y476 WeakPolarHBondContact O-CB 3.43Å; E472-Y476 WeakPolarHBondContact O-CD2 3.32Å; E472-Y476 VanDerWaalsContact O-CG 3.25Å; E472-Y476 PolarHBondContact O-N 2.84Å |
| 473 | T | 96.6 | Very high | 95 | Very high | 74 Ų | 74 | 90.4 Ų | 90.4 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | N470 F471 K475 Y476 Y477 | N470-T473 WeakPolarHBondContact O-CB 3.35Å; N470-T473 PolarHBondContact O-N 3.3Å; F471-T473 VanDerWaalsContact C-N 3.33Å; F471-T473 PolarHBondContact O-N 3.46Å; T473-K475 PolarHBondContact O-N 3.19Å; T473-Y476 PolarHBondContact O-N 3.02Å; T473-Y477 HydrophobicContact CG2-CD2 3.85Å; T473-Y477 HydrophobicContact CG2-CE2 3.94Å; T473-Y477 WeakPolarHBondContact O-CD2 3.14Å; T473-Y477 PolarHBondContact O-N 3.34Å |
| 474 | V | 96.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 91.7 Ų | 91.7 | 10% | 0.103 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.7 | -41 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | N470 F471 N478 A479 E480 E483 | N470-V474 PolarHBondContact O-N 2.83Å; N470-V474 VanDerWaalsContact O-N 3.14Å; F471-V474 PolarHBondContact O-N 3.03Å; V474-N478 PolarHBondContact O-N 3.11Å; V474-N478 VanDerWaalsContact O-N 3.15Å; V474-A479 HydrophobicContact CG1-CB 4.26Å; V474-A479 PolarHBondContact O-N 3.3Å; V474-E480 HydrophobicContact CG1-CG 4.09Å; V474-E483 HydrophobicContact CG1-CG 4.38Å; V474-E483 HydrophobicContact CG2-CG 4.21Å |
| 475 | K | 96.4 | Very high | 95.3 | Very high | 119 Ų | 119 | 94.1 Ų | 94.1 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.3 | -43 | 177.9 | -70.3 | -73.4 | 172.7 | -170.5 | 0 | 113.2 | F471 E472 T473 Y477 N478 E480 | F471-K475 WeakPolarHBondContact O-CB 3.49Å; F471-K475 VanDerWaalsContact O-CG 3.25Å; F471-K475 WeakPolarHBondContact O-CG 3.24Å; F471-K475 PolarHBondContact O-N 3.38Å; E472-K475 PolarHBondContact O-N 2.93Å; T473-K475 PolarHBondContact O-N 3.19Å; K475-Y477 PolarHBondContact O-N 3.32Å; K475-N478 PolarHBondContact O-N 3.37Å; K475-N478 PolarHBondContact O-OD1 3.4Å; K475-E480 VanDerWaalsContact CD-OE1 3.27Å; K475-E480 WeakPolarHBondContact CD-OE1 3.46Å; K475-E480 VanDerWaalsContact CE-OE1 3.3Å; K475-E480 WeakPolarHBondContact CE-OE1 3.44Å; K475-E480 IonicContact NZ-OE1 3.96Å; K475-E480 PolarHBondContact NZ-OE1 2.95Å |
| 476 | Y | 97 | Very high | 95.4 | Very high | 182 Ų | 182 | 95 Ų | 95 | 71% | 0.714 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.8 | -29 | 177.5 | -72.2 | -42.6 | 0 | 0 | 0 | 112.6 | E472 T473 | E472-Y476 HydrophobicContact CB-CD2 4.41Å; E472-Y476 HydrophobicContact CB-CE2 4.03Å; E472-Y476 WeakPolarHBondContact O-CB 3.43Å; E472-Y476 WeakPolarHBondContact O-CD2 3.32Å; E472-Y476 VanDerWaalsContact O-CG 3.25Å; E472-Y476 PolarHBondContact O-N 2.84Å; T473-Y476 PolarHBondContact O-N 3.02Å |
| 477 | Y | 96.3 | Very high | 95.5 | Very high | 179 Ų | 179 | 95.9 Ų | 95.9 | 70% | 0.702 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8 | -179.6 | -64.5 | -74.2 | 0 | 0 | 0 | 114.5 | T473 K475 A479 | T473-Y477 HydrophobicContact CG2-CD2 3.85Å; T473-Y477 HydrophobicContact CG2-CE2 3.94Å; T473-Y477 WeakPolarHBondContact O-CD2 3.14Å; T473-Y477 PolarHBondContact O-N 3.34Å; K475-Y477 PolarHBondContact O-N 3.32Å; Y477-A479 PolarHBondContact O-N 2.89Å |
| 478 | N | 94.9 | Very high | 95.7 | Very high | 136 Ų | 136 | 98.4 Ų | 98.4 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 41.7 | -175.4 | -68.7 | -26.6 | 0 | 0 | 0 | 113.2 | V474 K475 E480 | V474-N478 PolarHBondContact O-N 3.11Å; V474-N478 VanDerWaalsContact O-N 3.15Å; K475-N478 PolarHBondContact O-N 3.37Å; K475-N478 PolarHBondContact O-OD1 3.4Å; N478-E480 WeakPolarHBondContact CA-OE2 3.41Å |
| 479 | A | 95.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 97.8 Ų | 97.8 | 21% | 0.207 | 46% | 0.463 | C | S | . | . | trans | -96 | 16.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | V474 Y477 Q481 F482 E483 | V474-A479 HydrophobicContact CG1-CB 4.26Å; V474-A479 PolarHBondContact O-N 3.3Å; Y477-A479 PolarHBondContact O-N 2.89Å; A479-Q481 PolarHBondContact O-N 2.75Å; A479-F482 HydrophobicContact CB-CB 4.49Å; A479-F482 WeakPolarHBondContact O-CB 3.43Å; A479-F482 PolarHBondContact O-N 3.33Å; A479-E483 PolarHBondContact O-N 3.37Å | ||
| 480 | E | 95.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 92 Ų | 92 | 31% | 0.313 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | -175.2 | -62.8 | 94.5 | 142.6 | 0 | 0 | 113.1 | V474 K475 N478 F482 E483 T484 | V474-E480 HydrophobicContact CG1-CG 4.09Å; K475-E480 VanDerWaalsContact CD-OE1 3.27Å; K475-E480 WeakPolarHBondContact CD-OE1 3.46Å; K475-E480 VanDerWaalsContact CE-OE1 3.3Å; K475-E480 WeakPolarHBondContact CE-OE1 3.44Å; K475-E480 IonicContact NZ-OE1 3.96Å; K475-E480 PolarHBondContact NZ-OE1 2.95Å; N478-E480 WeakPolarHBondContact CA-OE2 3.41Å; E480-F482 VanDerWaalsContact C-N 3.34Å; E480-E483 PolarHBondContact O-N 3.45Å; E480-T484 WeakPolarHBondContact O-CB 3.3Å; E480-T484 PolarHBondContact O-N 2.62Å; E480-T484 PolarHBondContact O-OG1 3.09Å |
| 481 | Q | 96.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 91.1 Ų | 91.1 | 58% | 0.579 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 177.2 | -172.8 | 60.7 | 32.3 | 0 | 0 | 111 | A479 E483 T484 D485 | A479-Q481 PolarHBondContact O-N 2.75Å; Q481-E483 PolarHBondContact O-N 3.38Å; Q481-T484 WeakPolarHBondContact O-CB 3.43Å; Q481-T484 PolarHBondContact O-N 3.2Å; Q481-D485 PolarHBondContact NE2-OD1 2.87Å; Q481-D485 VanDerWaalsContact O-CG 3.29Å; Q481-D485 PolarHBondContact O-N 3.06Å |
| 482 | F | 96.5 | Very high | 96.4 | Very high | 134 Ų | 134 | 88.9 Ų | 88.9 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 177.2 | 174.4 | -95.9 | 0 | 0 | 0 | 111.8 | A479 E480 T484 D485 R486 | A479-F482 HydrophobicContact CB-CB 4.49Å; A479-F482 WeakPolarHBondContact O-CB 3.43Å; A479-F482 PolarHBondContact O-N 3.33Å; E480-F482 VanDerWaalsContact C-N 3.34Å; F482-T484 VanDerWaalsContact C-N 3.34Å; F482-D485 PolarHBondContact O-N 3.1Å; F482-R486 WeakPolarHBondContact O-CB 3.28Å; F482-R486 PolarHBondContact O-N 2.87Å |
| 483 | E | 96.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 86.1 Ų | 86.1 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.8 | -33.4 | 176.7 | -71.1 | -57.9 | 148.4 | 0 | 0 | 112.1 | V474 A479 E480 Q481 R486 Y487 | V474-E483 HydrophobicContact CG1-CG 4.38Å; V474-E483 HydrophobicContact CG2-CG 4.21Å; A479-E483 PolarHBondContact O-N 3.37Å; E480-E483 PolarHBondContact O-N 3.45Å; Q481-E483 PolarHBondContact O-N 3.38Å; E483-R486 PolarHBondContact O-N 3.39Å; E483-R486 IonicContact OE1-NH1 3.72Å; E483-R486 PolarHBondContact OE1-NH1 3.46Å; E483-R486 IonicContact OE2-NH1 2.71Å; E483-Y487 WeakPolarHBondContact O-CB 3.44Å; E483-Y487 PolarHBondContact O-N 3.32Å |
| 484 | T | 96 | Very high | 96.4 | Very high | 78 Ų | 78 | 84.7 Ų | 84.7 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 173.6 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | E480 Q481 F482 Y487 N488 | E480-T484 WeakPolarHBondContact O-CB 3.3Å; E480-T484 PolarHBondContact O-N 2.62Å; E480-T484 PolarHBondContact O-OG1 3.09Å; Q481-T484 WeakPolarHBondContact O-CB 3.43Å; Q481-T484 PolarHBondContact O-N 3.2Å; F482-T484 VanDerWaalsContact C-N 3.34Å; T484-Y487 PolarHBondContact O-N 3.3Å; T484-N488 WeakPolarHBondContact O-CB 3.34Å; T484-N488 PolarHBondContact O-N 3.29Å |
| 485 | D | 97.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 88.3 Ų | 88.3 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 178.1 | -67.7 | -27.1 | 0 | 0 | 0 | 111.3 | Q481 F482 Y487 N488 Q489 | Q481-D485 PolarHBondContact NE2-OD1 2.87Å; Q481-D485 VanDerWaalsContact O-CG 3.29Å; Q481-D485 PolarHBondContact O-N 3.06Å; F482-D485 PolarHBondContact O-N 3.1Å; D485-Y487 VanDerWaalsContact C-N 3.32Å; D485-Y487 PolarHBondContact O-N 2.76Å; D485-N488 PolarHBondContact O-N 2.93Å; D485-Q489 WeakPolarHBondContact O-CB 3.29Å; D485-Q489 PolarHBondContact O-N 3.46Å |
| 486 | R | 96 | Very high | 96.5 | Very high | 97 Ų | 97 | 88.9 Ų | 88.9 | 37% | 0.366 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 174.7 | -177.9 | -179 | 167.9 | -177.7 | -1.4 | 112.2 | K463 F482 E483 A490 | K463-R486 HydrophobicContact CD-CG 4.11Å; F482-R486 WeakPolarHBondContact O-CB 3.28Å; F482-R486 PolarHBondContact O-N 2.87Å; E483-R486 PolarHBondContact O-N 3.39Å; E483-R486 IonicContact OE1-NH1 3.72Å; E483-R486 PolarHBondContact OE1-NH1 3.46Å; E483-R486 IonicContact OE2-NH1 2.71Å; R486-A490 PolarHBondContact O-N 3.47Å |
| 487 | Y | 96 | Very high | 96.5 | Very high | 86 Ų | 86 | 80.6 Ų | 80.6 | 34% | 0.337 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.3 | -46.4 | 173.5 | 179.4 | -104.1 | 0 | 0 | 0 | 111.5 | K460 A464 E483 T484 D485 Q489 A490 F491 | K460-Y487 HydrophobicContact CD-CE2 4.31Å; K460-Y487 HydrophobicContact CG-CD2 4.23Å; K460-Y487 HydrophobicContact CG-CE2 3.59Å; A464-Y487 HydrophobicContact CB-CD2 4Å; A464-Y487 HydrophobicContact CB-CE2 3.85Å; E483-Y487 WeakPolarHBondContact O-CB 3.44Å; E483-Y487 PolarHBondContact O-N 3.32Å; T484-Y487 PolarHBondContact O-N 3.3Å; D485-Y487 VanDerWaalsContact C-N 3.32Å; D485-Y487 PolarHBondContact O-N 2.76Å; Y487-Q489 VanDerWaalsContact C-N 3.33Å; Y487-Q489 PolarHBondContact O-N 2.82Å; Y487-A490 WeakPolarHBondContact O-CB 3.36Å; Y487-A490 PolarHBondContact O-N 3.07Å; Y487-A490 VanDerWaalsContact O-N 3.16Å; Y487-F491 HydrophobicContact CE1-CD2 4.35Å; Y487-F491 WeakPolarHBondContact O-CB 3Å; Y487-F491 PolarHBondContact O-N 2.85Å |
| 488 | N | 97.4 | Very high | 96.6 | Very high | 84 Ų | 84 | 74.9 Ų | 74.9 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -43.8 | 177.3 | -175 | 42.6 | 0 | 0 | 0 | 111.9 | T484 D485 A490 F491 L492 | T484-N488 WeakPolarHBondContact O-CB 3.34Å; T484-N488 PolarHBondContact O-N 3.29Å; D485-N488 PolarHBondContact O-N 2.93Å; N488-A490 PolarHBondContact O-N 3.45Å; N488-F491 CarbonylContact O-C 3.57Å; N488-F491 WeakPolarHBondContact O-CA 3.26Å; N488-F491 WeakPolarHBondContact O-CB 3.36Å; N488-F491 PolarHBondContact O-N 3.49Å; N488-F491 VanDerWaalsContact O-N 3.12Å; N488-L492 WeakPolarHBondContact O-CG 3.46Å; N488-L492 PolarHBondContact O-N 3.3Å |
| 489 | Q | 96.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 75.3 Ų | 75.3 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.7 | -176.5 | 56.1 | 45.5 | 0 | 0 | 111.9 | D485 Y487 F491 L492 D493 | D485-Q489 WeakPolarHBondContact O-CB 3.29Å; D485-Q489 PolarHBondContact O-N 3.46Å; Y487-Q489 VanDerWaalsContact C-N 3.33Å; Y487-Q489 PolarHBondContact O-N 2.82Å; Q489-F491 PolarHBondContact O-N 2.94Å; Q489-L492 PolarHBondContact O-N 3.46Å; Q489-D493 PolarHBondContact NE2-OD1 2.91Å; Q489-D493 PolarHBondContact NE2-OD2 2.74Å; Q489-D493 VanDerWaalsContact NE2-OD2 3.16Å; Q489-D493 PolarHBondContact O-N 3.35Å |
| 490 | A | 96.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 80 Ų | 80 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -36 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K460 K463 R486 Y487 N488 Y494 | K460-A490 HydrophobicContact CB-CB 4.19Å; K463-A490 HydrophobicContact CD-CB 3.65Å; R486-A490 PolarHBondContact O-N 3.47Å; Y487-A490 WeakPolarHBondContact O-CB 3.36Å; Y487-A490 PolarHBondContact O-N 3.07Å; Y487-A490 VanDerWaalsContact O-N 3.16Å; N488-A490 PolarHBondContact O-N 3.45Å; A490-Y494 WeakPolarHBondContact O-CB 3.43Å; A490-Y494 PolarHBondContact O-N 3.36Å |
| 491 | F | 96.5 | Very high | 96.8 | Very high | 70 Ų | 70 | 77.9 Ų | 77.9 | 31% | 0.307 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 176.6 | -159.3 | -80.3 | 0 | 0 | 0 | 112 | K460 Y487 N488 Q489 Y494 Q495 | K460-F491 HydrophobicContact CD-CD2 3.64Å; K460-F491 HydrophobicContact CD-CE2 4.17Å; K460-F491 HydrophobicContact CD-CG 4.48Å; K460-F491 HydrophobicContact CG-CD2 4.43Å; Y487-F491 HydrophobicContact CE1-CD2 4.35Å; Y487-F491 WeakPolarHBondContact O-CB 3Å; Y487-F491 PolarHBondContact O-N 2.85Å; N488-F491 CarbonylContact O-C 3.57Å; N488-F491 WeakPolarHBondContact O-CA 3.26Å; N488-F491 WeakPolarHBondContact O-CB 3.36Å; N488-F491 PolarHBondContact O-N 3.49Å; N488-F491 VanDerWaalsContact O-N 3.12Å; Q489-F491 PolarHBondContact O-N 2.94Å; F491-Y494 PolarHBondContact O-N 2.92Å; F491-Q495 HydrophobicContact CD1-CG 3.82Å; F491-Q495 VanDerWaalsContact CD1-NE2 3.29Å; F491-Q495 HydrophobicContact CE1-CG 3.67Å; F491-Q495 WeakPolarHBondContact O-CB 3.44Å; F491-Q495 WeakPolarHBondContact O-CG 3.48Å; F491-Q495 PolarHBondContact O-N 3.49Å |
| 492 | L | 97.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 73.9 Ų | 73.9 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174.8 | -70.3 | 174.4 | 0 | 0 | 0 | 112.2 | N488 Q489 Q495 K496 | N488-L492 WeakPolarHBondContact O-CG 3.46Å; N488-L492 PolarHBondContact O-N 3.3Å; Q489-L492 PolarHBondContact O-N 3.46Å; L492-Q495 PolarHBondContact O-N 2.76Å; L492-K496 WeakPolarHBondContact O-CG 3.14Å; L492-K496 PolarHBondContact O-N 3.34Å |
| 493 | D | 96.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 177.5 | -64.4 | -34 | 0 | 0 | 0 | 111.2 | L456 Q489 Q495 K496 A497 | L456-D493 HydrophobicContact CD2-CB 4.34Å; Q489-D493 PolarHBondContact NE2-OD1 2.91Å; Q489-D493 PolarHBondContact NE2-OD2 2.74Å; Q489-D493 VanDerWaalsContact NE2-OD2 3.16Å; Q489-D493 PolarHBondContact O-N 3.35Å; D493-Q495 PolarHBondContact O-N 2.95Å; D493-K496 PolarHBondContact O-N 3.4Å; D493-K496 IonicContact OD1-NZ 3.44Å; D493-A497 PolarHBondContact O-N 3.24Å |
| 494 | Y | 96.7 | Very high | 96.8 | Very high | 43 Ų | 43 | 70.2 Ų | 70.2 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 170.6 | 164 | -98.1 | 0 | 0 | 0 | 112.2 | M453 D457 A490 F491 K496 A497 D498 | M453-Y494 HydrophobicContact CG-CD2 4.36Å; M453-Y494 HydrophobicContact CG-CE2 3.88Å; D457-Y494 HydrophobicContact CB-CD2 3.84Å; D457-Y494 HydrophobicContact CB-CE2 3.81Å; A490-Y494 WeakPolarHBondContact O-CB 3.43Å; A490-Y494 PolarHBondContact O-N 3.36Å; F491-Y494 PolarHBondContact O-N 2.92Å; Y494-K496 VanDerWaalsContact C-N 3.32Å; Y494-K496 PolarHBondContact O-N 3.44Å; Y494-A497 PolarHBondContact O-N 3.34Å; Y494-A497 VanDerWaalsContact O-N 3.12Å; Y494-D498 HydrophobicContact CE1-CB 4.3Å; Y494-D498 HydrophobicContact CE2-CB 4.41Å; Y494-D498 WeakPolarHBondContact O-CB 3.22Å; Y494-D498 PolarHBondContact O-N 3.2Å |
| 495 | Q | 97.7 | Very high | 96.7 | Very high | 93 Ų | 93 | 70 Ų | 70 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | -179 | -80.7 | -176.5 | 98.8 | 0 | 0 | 112.8 | F491 L492 D493 A497 D498 W499 | F491-Q495 HydrophobicContact CD1-CG 3.82Å; F491-Q495 VanDerWaalsContact CD1-NE2 3.29Å; F491-Q495 HydrophobicContact CE1-CG 3.67Å; F491-Q495 WeakPolarHBondContact O-CB 3.44Å; F491-Q495 WeakPolarHBondContact O-CG 3.48Å; F491-Q495 PolarHBondContact O-N 3.49Å; L492-Q495 PolarHBondContact O-N 2.76Å; D493-Q495 PolarHBondContact O-N 2.95Å; Q495-A497 VanDerWaalsContact C-N 3.35Å; Q495-D498 PolarHBondContact O-N 2.88Å; Q495-W499 WeakPolarHBondContact O-CB 3.3Å; Q495-W499 PolarHBondContact O-N 3.08Å |
| 496 | K | 97.7 | Very high | 96.6 | Very high | 131 Ų | 131 | 70.5 Ų | 70.5 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.1 | -45.1 | 175.1 | -69.6 | 170.3 | -172.9 | 164.9 | 0 | 111.1 | L492 D493 Y494 W500 | L492-K496 WeakPolarHBondContact O-CG 3.14Å; L492-K496 PolarHBondContact O-N 3.34Å; D493-K496 PolarHBondContact O-N 3.4Å; D493-K496 IonicContact OD1-NZ 3.44Å; Y494-K496 VanDerWaalsContact C-N 3.32Å; Y494-K496 PolarHBondContact O-N 3.44Å; K496-W500 PolarHBondContact O-N 3.06Å |
| 497 | A | 96.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 68.8 Ų | 68.8 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E452 M453 L456 D493 Y494 Q495 W500 N501 | E452-A497 HydrophobicContact CG-CB 4.4Å; M453-A497 HydrophobicContact CB-CB 4.23Å; L456-A497 HydrophobicContact CD1-CB 3.56Å; D493-A497 PolarHBondContact O-N 3.24Å; Y494-A497 PolarHBondContact O-N 3.34Å; Y494-A497 VanDerWaalsContact O-N 3.12Å; Q495-A497 VanDerWaalsContact C-N 3.35Å; A497-W500 PolarHBondContact O-N 3.47Å; A497-N501 WeakPolarHBondContact O-CB 3.36Å; A497-N501 PolarHBondContact O-N 2.99Å |
| 498 | D | 97.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 32% | 0.316 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.7 | -174.7 | 44.6 | 0 | 0 | 0 | 111.4 | M453 Y494 Q495 W500 N501 A502 | M453-D498 HydrophobicContact CG-CB 4.22Å; M453-D498 HydrophobicContact SD-CB 4.42Å; Y494-D498 HydrophobicContact CE1-CB 4.3Å; Y494-D498 HydrophobicContact CE2-CB 4.41Å; Y494-D498 WeakPolarHBondContact O-CB 3.22Å; Y494-D498 PolarHBondContact O-N 3.2Å; Q495-D498 PolarHBondContact O-N 2.88Å; D498-W500 PolarHBondContact O-N 3.32Å; D498-N501 PolarHBondContact O-N 3.02Å; D498-A502 WeakPolarHBondContact O-CB 3.33Å; D498-A502 PolarHBondContact O-N 3.27Å |
| 499 | W | 98 | Very high | 96.2 | Very high | 145 Ų | 145 | 64.6 Ų | 64.6 | 55% | 0.549 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 174.4 | -175.7 | 90.9 | 0 | 0 | 0 | 112 | Q495 N501 A502 F503 | Q495-W499 WeakPolarHBondContact O-CB 3.3Å; Q495-W499 PolarHBondContact O-N 3.08Å; W499-N501 PolarHBondContact O-N 3.17Å; W499-A502 PolarHBondContact O-N 3.37Å; W499-F503 HydrophobicContact CE3-CB 4.4Å; W499-F503 HydrophobicContact CH2-CB 4.33Å; W499-F503 HydrophobicContact CH2-CD2 4.23Å; W499-F503 HydrophobicContact CH2-CG 4.19Å; W499-F503 HydrophobicContact CZ2-CD2 4.45Å; W499-F503 HydrophobicContact CZ3-CB 4.23Å; W499-F503 HydrophobicContact CZ3-CG 4.38Å; W499-F503 WeakPolarHBondContact O-CB 3.28Å; W499-F503 PolarHBondContact O-N 3.25Å |
| 500 | W | 97.7 | Very high | 96.1 | Very high | 122 Ų | 122 | 63.9 Ų | 63.9 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.3 | -80.8 | 110.6 | 0 | 0 | 0 | 111.9 | F449 K496 A497 D498 A502 F503 T504 | F449-W500 HydrophobicContact CD1-CB 3.82Å; F449-W500 HydrophobicContact CD1-CG 4.44Å; F449-W500 HydrophobicContact CE1-CB 4.29Å; F449-W500 HydrophobicContact CE1-CG 4.48Å; K496-W500 PolarHBondContact O-N 3.06Å; A497-W500 PolarHBondContact O-N 3.47Å; D498-W500 PolarHBondContact O-N 3.32Å; W500-A502 PolarHBondContact O-N 3.32Å; W500-F503 HydrophobicContact CE3-CD1 4.23Å; W500-F503 HydrophobicContact CZ3-CD1 4.19Å; W500-F503 HydrophobicContact CZ3-CE1 4.49Å; W500-F503 PolarHBondContact O-N 3.07Å; W500-T504 WeakPolarHBondContact O-CG2 3.06Å; W500-T504 PolarHBondContact O-N 3.4Å |
| 501 | N | 95.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.9 | 172.8 | 63.7 | 0 | 0 | 0 | 111.9 | F449 M453 A497 D498 W499 T504 L505 | F449-N501 HydrophobicContact CB-CB 4.49Å; M453-N501 HydrophobicContact CB-CB 4.48Å; M453-N501 HydrophobicContact SD-CB 3.99Å; M453-N501 PolarHBondContact SD-ND2 3.03Å; A497-N501 WeakPolarHBondContact O-CB 3.36Å; A497-N501 PolarHBondContact O-N 2.99Å; D498-N501 PolarHBondContact O-N 3.02Å; W499-N501 PolarHBondContact O-N 3.17Å; N501-T504 PolarHBondContact O-N 2.84Å; N501-T504 PolarHBondContact O-OG1 3.03Å; N501-L505 PolarHBondContact O-N 3.47Å |
| 502 | A | 96.7 | Very high | 95.9 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D498 W499 W500 T504 L505 N506 | D498-A502 WeakPolarHBondContact O-CB 3.33Å; D498-A502 PolarHBondContact O-N 3.27Å; W499-A502 PolarHBondContact O-N 3.37Å; W500-A502 PolarHBondContact O-N 3.32Å; A502-T504 VanDerWaalsContact C-N 3.31Å; A502-T504 PolarHBondContact O-N 3.07Å; A502-L505 WeakPolarHBondContact O-CB 3.48Å; A502-L505 PolarHBondContact O-N 3.14Å; A502-L505 VanDerWaalsContact O-N 3.15Å; A502-N506 PolarHBondContact O-N 2.92Å; A502-N506 PolarHBondContact O-ND2 3.09Å; A502-N506 VanDerWaalsContact O-ND2 3.08Å |
| 503 | F | 97.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 64 Ų | 64 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 175.8 | 177 | -102.7 | 0 | 0 | 0 | 111 | W499 W500 L505 N506 L507 | W499-F503 HydrophobicContact CE3-CB 4.4Å; W499-F503 HydrophobicContact CH2-CB 4.33Å; W499-F503 HydrophobicContact CH2-CD2 4.23Å; W499-F503 HydrophobicContact CH2-CG 4.19Å; W499-F503 HydrophobicContact CZ2-CD2 4.45Å; W499-F503 HydrophobicContact CZ3-CB 4.23Å; W499-F503 HydrophobicContact CZ3-CG 4.38Å; W499-F503 WeakPolarHBondContact O-CB 3.28Å; W499-F503 PolarHBondContact O-N 3.25Å; W500-F503 HydrophobicContact CE3-CD1 4.23Å; W500-F503 HydrophobicContact CZ3-CD1 4.19Å; W500-F503 HydrophobicContact CZ3-CE1 4.49Å; W500-F503 PolarHBondContact O-N 3.07Å; F503-L505 VanDerWaalsContact C-N 3.28Å; F503-L505 PolarHBondContact O-N 3.23Å; F503-N506 PolarHBondContact O-N 3.42Å; F503-L507 HydrophobicContact CE1-CD2 4.42Å; F503-L507 WeakPolarHBondContact O-CB 3.3Å; F503-L507 PolarHBondContact O-N 3.19Å |
| 504 | T | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.7 | -29.7 | 179.6 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | W445 R446 F449 W500 N501 A502 L508 | W445-T504 HydrophobicContact CE3-CG2 4.45Å; W445-T504 HydrophobicContact CH2-CG2 3.74Å; W445-T504 HydrophobicContact CZ3-CG2 3.58Å; R446-T504 VanDerWaalsContact CD-O 3.26Å; R446-T504 WeakPolarHBondContact CD-O 3.39Å; R446-T504 WeakPolarHBondContact CG-OG1 3.37Å; R446-T504 PolarHBondContact NE-O 2.9Å; R446-T504 PolarHBondContact NE-OG1 3.33Å; F449-T504 HydrophobicContact CD2-CG2 3.65Å; F449-T504 HydrophobicContact CE2-CG2 3.94Å; F449-T504 HydrophobicContact CG-CG2 4.05Å; W500-T504 WeakPolarHBondContact O-CG2 3.06Å; W500-T504 PolarHBondContact O-N 3.4Å; N501-T504 PolarHBondContact O-N 2.84Å; N501-T504 PolarHBondContact O-OG1 3.03Å; A502-T504 VanDerWaalsContact C-N 3.31Å; A502-T504 PolarHBondContact O-N 3.07Å; T504-L508 PolarHBondContact O-N 3.47Å; T504-L508 VanDerWaalsContact O-N 3.08Å |
| 505 | L | 93.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 65 Ų | 65 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.5 | -48 | 172.5 | 178.4 | 57.4 | 0 | 0 | 0 | 111.3 | R446 N501 A502 F503 L507 L508 N509 | R446-L505 VanDerWaalsContact CZ-CA 3.46Å; R446-L505 VanDerWaalsContact NH2-CD1 3.32Å; N501-L505 PolarHBondContact O-N 3.47Å; A502-L505 WeakPolarHBondContact O-CB 3.48Å; A502-L505 PolarHBondContact O-N 3.14Å; A502-L505 VanDerWaalsContact O-N 3.15Å; F503-L505 VanDerWaalsContact C-N 3.28Å; F503-L505 PolarHBondContact O-N 3.23Å; L505-L507 VanDerWaalsContact C-N 3.3Å; L505-L507 PolarHBondContact O-N 2.96Å; L505-L508 WeakPolarHBondContact O-CB 3.14Å; L505-L508 PolarHBondContact O-N 3.35Å; L505-N509 PolarHBondContact O-N 3.35Å |
| 506 | N | 95.3 | Very high | 95.3 | Very high | 96 Ų | 96 | 61.8 Ų | 61.8 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.4 | -73 | -55.8 | 0 | 0 | 0 | 110.8 | A502 F503 L508 N509 T510 | A502-N506 PolarHBondContact O-N 2.92Å; A502-N506 PolarHBondContact O-ND2 3.09Å; A502-N506 VanDerWaalsContact O-ND2 3.08Å; F503-N506 PolarHBondContact O-N 3.42Å; N506-L508 VanDerWaalsContact C-N 3.35Å; N506-L508 PolarHBondContact O-N 3.38Å; N506-N509 PolarHBondContact O-N 2.93Å; N506-T510 WeakPolarHBondContact O-CB 3.41Å; N506-T510 PolarHBondContact O-N 3.46Å; N506-T510 PolarHBondContact O-OG1 3.2Å |
| 507 | L | 95.4 | Very high | 95.2 | Very high | 60 Ų | 60 | 58.3 Ų | 58.3 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.1 | -174.8 | 66 | 0 | 0 | 0 | 112.3 | W445 F503 L505 T510 I511 | W445-L507 HydrophobicContact CH2-CD2 4.42Å; W445-L507 HydrophobicContact CZ3-CD2 4.2Å; F503-L507 HydrophobicContact CE1-CD2 4.42Å; F503-L507 WeakPolarHBondContact O-CB 3.3Å; F503-L507 PolarHBondContact O-N 3.19Å; L505-L507 VanDerWaalsContact C-N 3.3Å; L505-L507 PolarHBondContact O-N 2.96Å; L507-T510 PolarHBondContact O-N 3.48Å; L507-I511 HydrophobicContact CD1-CD1 4.05Å; L507-I511 HydrophobicContact CD1-CG1 4.38Å; L507-I511 HydrophobicContact CG-CD1 3.88Å; L507-I511 WeakPolarHBondContact O-CB 3.21Å; L507-I511 VanDerWaalsContact O-CG1 3.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.45Å; L507-I511 PolarHBondContact O-N 3.41Å |
| 508 | L | 92.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58 | -51.8 | 174.1 | 174.2 | 66.5 | 0 | 0 | 0 | 110.8 | I442 T504 L505 N506 T510 I511 Q512 | I442-L508 HydrophobicContact CB-CD1 3.85Å; I442-L508 HydrophobicContact CD1-CD1 4.15Å; I442-L508 HydrophobicContact CG2-CB 3.9Å; I442-L508 HydrophobicContact CG2-CD1 3.73Å; I442-L508 HydrophobicContact CG2-CG 4.35Å; T504-L508 PolarHBondContact O-N 3.47Å; T504-L508 VanDerWaalsContact O-N 3.08Å; L505-L508 WeakPolarHBondContact O-CB 3.14Å; L505-L508 PolarHBondContact O-N 3.35Å; N506-L508 VanDerWaalsContact C-N 3.35Å; N506-L508 PolarHBondContact O-N 3.38Å; L508-T510 VanDerWaalsContact C-N 3.3Å; L508-T510 PolarHBondContact O-N 2.84Å; L508-I511 PolarHBondContact O-N 3.47Å; L508-Q512 HydrophobicContact CD1-CG 4.05Å; L508-Q512 HydrophobicContact CG-CG 4.39Å; L508-Q512 VanDerWaalsContact O-CB 3.28Å; L508-Q512 WeakPolarHBondContact O-CB 3.46Å; L508-Q512 VanDerWaalsContact O-CG 3.23Å; L508-Q512 WeakPolarHBondContact O-CG 3.12Å; L508-Q512 PolarHBondContact O-N 3.37Å |
| 509 | N | 92.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | -179 | -66.9 | -16.6 | 0 | 0 | 0 | 111.6 | L505 N506 N513 | L505-N509 PolarHBondContact O-N 3.35Å; N506-N509 PolarHBondContact O-N 2.93Å; N509-N513 VanDerWaalsContact O-CB 3.29Å; N509-N513 WeakPolarHBondContact O-CB 3.27Å; N509-N513 PolarHBondContact O-N 2.9Å |
| 510 | T | 95.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | N506 L507 L508 Q512 N513 I514 | N506-T510 WeakPolarHBondContact O-CB 3.41Å; N506-T510 PolarHBondContact O-N 3.46Å; N506-T510 PolarHBondContact O-OG1 3.2Å; L507-T510 PolarHBondContact O-N 3.48Å; L508-T510 VanDerWaalsContact C-N 3.3Å; L508-T510 PolarHBondContact O-N 2.84Å; T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.28Å; T510-N513 PolarHBondContact O-N 2.85Å; T510-I514 HydrophobicContact CG2-CD1 3.93Å; T510-I514 VanDerWaalsContact O-CG1 3.3Å; T510-I514 WeakPolarHBondContact O-CG1 3.26Å; T510-I514 PolarHBondContact O-N 3.3Å |
| 511 | I | 94.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.4 | -70.4 | 168.4 | 0 | 0 | 0 | 110.3 | I442 L507 L508 N513 I514 V515 | I442-I511 HydrophobicContact CD1-CB 4.24Å; I442-I511 HydrophobicContact CD1-CD1 3.64Å; I442-I511 HydrophobicContact CD1-CG2 3.94Å; L507-I511 HydrophobicContact CD1-CD1 4.05Å; L507-I511 HydrophobicContact CD1-CG1 4.38Å; L507-I511 HydrophobicContact CG-CD1 3.88Å; L507-I511 WeakPolarHBondContact O-CB 3.21Å; L507-I511 VanDerWaalsContact O-CG1 3.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.45Å; L507-I511 PolarHBondContact O-N 3.41Å; L508-I511 PolarHBondContact O-N 3.47Å; I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.32Å; I511-I514 PolarHBondContact O-N 2.96Å; I511-V515 HydrophobicContact CG2-CG2 4.43Å; I511-V515 WeakPolarHBondContact O-CG2 3.29Å; I511-V515 PolarHBondContact O-N 3.26Å |
| 512 | Q | 93.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.4 | -45.7 | 175.4 | -79 | 179.9 | -22.5 | 0 | 0 | 111.9 | Y435 T439 L508 T510 V515 I516 | Y435-Q512 HydrophobicContact CD2-CB 4.34Å; Y435-Q512 HydrophobicContact CD2-CG 4.3Å; Y435-Q512 HydrophobicContact CE1-CG 4.19Å; Y435-Q512 HydrophobicContact CE2-CB 3.41Å; Y435-Q512 VanDerWaalsContact CE2-CB 3.41Å; Y435-Q512 HydrophobicContact CE2-CG 3.5Å; Y435-Q512 VanDerWaalsContact CE2-CG 3.5Å; Y435-Q512 VanDerWaalsContact CZ-CG 3.48Å; Y435-Q512 PolarHBondContact OH-NE2 3.45Å; Y435-Q512 PolarHBondContact OH-OE1 3.49Å; T439-Q512 PolarHBondContact OG1-NE2 2.99Å; L508-Q512 HydrophobicContact CD1-CG 4.05Å; L508-Q512 HydrophobicContact CG-CG 4.39Å; L508-Q512 VanDerWaalsContact O-CB 3.28Å; L508-Q512 WeakPolarHBondContact O-CB 3.46Å; L508-Q512 VanDerWaalsContact O-CG 3.23Å; L508-Q512 WeakPolarHBondContact O-CG 3.12Å; L508-Q512 PolarHBondContact O-N 3.37Å; T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.28Å; Q512-V515 PolarHBondContact O-N 2.91Å; Q512-I516 WeakPolarHBondContact O-CG2 3.42Å; Q512-I516 PolarHBondContact O-N 2.94Å; Q512-I516 VanDerWaalsContact O-N 3.08Å |
| 513 | N | 94.2 | Very high | 94.5 | Very high | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.4 | -166.4 | -6.8 | 0 | 0 | 0 | 112 | N509 T510 I511 I516 S517 | N509-N513 VanDerWaalsContact O-CB 3.29Å; N509-N513 WeakPolarHBondContact O-CB 3.27Å; N509-N513 PolarHBondContact O-N 2.9Å; T510-N513 PolarHBondContact O-N 2.85Å; I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.32Å; N513-I516 VanDerWaalsContact O-CG2 3.23Å; N513-I516 WeakPolarHBondContact O-CG2 3.31Å; N513-S517 WeakPolarHBondContact O-CB 3.23Å; N513-S517 PolarHBondContact O-N 3.39Å; N513-S517 PolarHBondContact O-OG 3.25Å; N513-S517 PolarHBondContact OD1-OG 2.85Å; N513-S517 VanDerWaalsContact OD1-OG 3.09Å |
| 514 | I | 95.9 | Very high | 94.4 | Very high | 90 Ų | 90 | 54 Ų | 54 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.6 | -70.1 | 166.3 | 0 | 0 | 0 | 110.8 | T510 I511 I516 S517 I518 | T510-I514 HydrophobicContact CG2-CD1 3.93Å; T510-I514 VanDerWaalsContact O-CG1 3.3Å; T510-I514 WeakPolarHBondContact O-CG1 3.26Å; T510-I514 PolarHBondContact O-N 3.3Å; I511-I514 PolarHBondContact O-N 2.96Å; I514-I516 PolarHBondContact O-N 3.29Å; I514-S517 PolarHBondContact O-N 3Å; I514-I518 HydrophobicContact CG2-CD1 3.62Å; I514-I518 HydrophobicContact CG2-CG1 4.33Å; I514-I518 WeakPolarHBondContact O-CB 3.46Å; I514-I518 VanDerWaalsContact O-CG1 3.26Å; I514-I518 WeakPolarHBondContact O-CG1 3.41Å; I514-I518 PolarHBondContact O-N 2.63Å |
| 515 | V | 94.5 | Very high | 94.3 | Very high | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -47.7 | -179.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I434 Y435 I511 Q512 G519 | I434-V515 HydrophobicContact CB-CG1 4.4Å; I434-V515 HydrophobicContact CG2-CG1 3.94Å; I434-V515 HydrophobicContact CG2-CG2 4.09Å; Y435-V515 HydrophobicContact CD2-CG1 4.34Å; I511-V515 HydrophobicContact CG2-CG2 4.43Å; I511-V515 WeakPolarHBondContact O-CG2 3.29Å; I511-V515 PolarHBondContact O-N 3.26Å; Q512-V515 PolarHBondContact O-N 2.91Å; V515-G519 PolarHBondContact O-N 3.15Å; V515-G519 VanDerWaalsContact O-N 3.09Å |
| 516 | I | 92.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 178.2 | -172.9 | 162.2 | 0 | 0 | 0 | 111.9 | Q512 N513 I514 I518 G519 F520 Y552 | Q512-I516 WeakPolarHBondContact O-CG2 3.42Å; Q512-I516 PolarHBondContact O-N 2.94Å; Q512-I516 VanDerWaalsContact O-N 3.08Å; N513-I516 VanDerWaalsContact O-CG2 3.23Å; N513-I516 WeakPolarHBondContact O-CG2 3.31Å; I514-I516 PolarHBondContact O-N 3.29Å; I516-I518 VanDerWaalsContact C-N 3.31Å; I516-I518 PolarHBondContact O-N 3.39Å; I516-G519 PolarHBondContact O-N 3.1Å; I516-F520 WeakPolarHBondContact O-CB 3.3Å; I516-F520 PolarHBondContact O-N 2.86Å; I516-Y552 HydrophobicContact CB-CD2 4.46Å; I516-Y552 HydrophobicContact CB-CE2 4.49Å; I516-Y552 HydrophobicContact CD1-CD1 3.7Å; I516-Y552 HydrophobicContact CD1-CD2 3.27Å; I516-Y552 HydrophobicContact CD1-CE1 4.31Å; I516-Y552 HydrophobicContact CD1-CE2 3.92Å; I516-Y552 HydrophobicContact CD1-CG 3.12Å; I516-Y552 HydrophobicContact CG1-CD2 4.44Å; I516-Y552 HydrophobicContact CG2-CE2 4.32Å |
| 517 | S | 94.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | -179.8 | -68.1 | 0 | 0 | 0 | 0 | 111.4 | N513 I514 M521 | N513-S517 WeakPolarHBondContact O-CB 3.23Å; N513-S517 PolarHBondContact O-N 3.39Å; N513-S517 PolarHBondContact O-OG 3.25Å; N513-S517 PolarHBondContact OD1-OG 2.85Å; N513-S517 VanDerWaalsContact OD1-OG 3.09Å; I514-S517 PolarHBondContact O-N 3Å; S517-M521 WeakPolarHBondContact O-CB 3.3Å; S517-M521 PolarHBondContact O-N 2.83Å |
| 518 | I | 95.4 | Very high | 94 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 174.1 | -69.2 | 170 | 0 | 0 | 0 | 110.4 | I514 I516 F520 M521 F522 | I514-I518 HydrophobicContact CG2-CD1 3.62Å; I514-I518 HydrophobicContact CG2-CG1 4.33Å; I514-I518 WeakPolarHBondContact O-CB 3.46Å; I514-I518 VanDerWaalsContact O-CG1 3.26Å; I514-I518 WeakPolarHBondContact O-CG1 3.41Å; I514-I518 PolarHBondContact O-N 2.63Å; I516-I518 VanDerWaalsContact C-N 3.31Å; I516-I518 PolarHBondContact O-N 3.39Å; I518-F520 VanDerWaalsContact C-N 3.33Å; I518-F520 PolarHBondContact O-N 3.25Å; I518-M521 PolarHBondContact O-N 3.26Å; I518-F522 HydrophobicContact CG2-CD2 3.67Å; I518-F522 HydrophobicContact CG2-CE2 3.63Å; I518-F522 VanDerWaalsContact O-CD2 3.25Å; I518-F522 WeakPolarHBondContact O-CD2 3.46Å; I518-F522 PolarHBondContact O-N 2.92Å |
| 519 | G | 93.4 | Very high | 94 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | T431 V515 I516 G523 | T431-G519 VanDerWaalsContact CG2-CA 3.46Å; V515-G519 PolarHBondContact O-N 3.15Å; V515-G519 VanDerWaalsContact O-N 3.09Å; I516-G519 PolarHBondContact O-N 3.1Å; G519-G523 PolarHBondContact O-N 2.88Å |
| 520 | F | 94.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 25% | 0.254 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 176.3 | -169.2 | -106.2 | 0 | 0 | 0 | 111.1 | I516 I518 F522 G523 I524 C545 I548 I549 | I516-F520 WeakPolarHBondContact O-CB 3.3Å; I516-F520 PolarHBondContact O-N 2.86Å; I518-F520 VanDerWaalsContact C-N 3.33Å; I518-F520 PolarHBondContact O-N 3.25Å; F520-F522 PolarHBondContact O-N 3.15Å; F520-G523 PolarHBondContact O-N 3.06Å; F520-I524 HydrophobicContact CD1-CG2 4.2Å; F520-I524 HydrophobicContact CE1-CG2 3.92Å; F520-I524 HydrophobicContact CE2-CG2 4.3Å; F520-I524 HydrophobicContact CG-CG2 4.5Å; F520-I524 HydrophobicContact CZ-CG2 3.97Å; F520-I524 WeakPolarHBondContact O-CG1 3.17Å; F520-I524 WeakPolarHBondContact O-CG2 3.24Å; F520-I524 PolarHBondContact O-N 2.93Å; F520-C545 HydrophobicContact CE2-CB 4.4Å; F520-C545 HydrophobicContact CZ-CB 4.3Å; F520-I548 HydrophobicContact CD2-CB 4.31Å; F520-I548 HydrophobicContact CD2-CG2 3.86Å; F520-I549 HydrophobicContact CE2-CG1 4.5Å |
| 521 | M | 95.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.4 | -50.2 | 177.7 | -178.2 | -173.4 | 72.2 | 0 | 0 | 112 | S517 I518 G523 I524 L525 | S517-M521 WeakPolarHBondContact O-CB 3.3Å; S517-M521 PolarHBondContact O-N 2.83Å; I518-M521 PolarHBondContact O-N 3.26Å; M521-G523 VanDerWaalsContact C-N 3.31Å; M521-G523 PolarHBondContact O-N 3.47Å; M521-I524 WeakPolarHBondContact O-CG1 3.45Å; M521-I524 PolarHBondContact O-N 2.81Å; M521-L525 HydrophobicContact CG-CD1 4.09Å; M521-L525 WeakPolarHBondContact O-CB 3.42Å; M521-L525 VanDerWaalsContact O-CG 3.28Å; M521-L525 WeakPolarHBondContact O-CG 3.22Å; M521-L525 PolarHBondContact O-N 3.08Å |
| 522 | F | 95.2 | Very high | 93.2 | Very high | 112 Ų | 112 | 57.3 Ų | 57.3 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.9 | -81.8 | -67.1 | 0 | 0 | 0 | 111.8 | L427 I518 F520 L525 L526 | L427-F522 HydrophobicContact CD1-CB 4.04Å; I518-F522 HydrophobicContact CG2-CD2 3.67Å; I518-F522 HydrophobicContact CG2-CE2 3.63Å; I518-F522 VanDerWaalsContact O-CD2 3.25Å; I518-F522 WeakPolarHBondContact O-CD2 3.46Å; I518-F522 PolarHBondContact O-N 2.92Å; F520-F522 PolarHBondContact O-N 3.15Å; F522-L525 PolarHBondContact O-N 2.92Å; F522-L526 VanDerWaalsContact O-CG 3.3Å; F522-L526 WeakPolarHBondContact O-CG 3.27Å; F522-L526 PolarHBondContact O-N 2.72Å |
| 523 | G | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G519 F520 M521 L526 C527 F544 | G519-G523 PolarHBondContact O-N 2.88Å; F520-G523 PolarHBondContact O-N 3.06Å; M521-G523 VanDerWaalsContact C-N 3.31Å; M521-G523 PolarHBondContact O-N 3.47Å; G523-L526 PolarHBondContact O-N 2.97Å; G523-C527 VanDerWaalsContact O-CB 3.3Å; G523-C527 WeakPolarHBondContact O-CB 3.45Å; G523-C527 PolarHBondContact O-N 3.44Å; G523-F544 VanDerWaalsContact C-CE1 3.49Å |
| 524 | I | 94.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 177.6 | 66.9 | 173.3 | 0 | 0 | 0 | 111.9 | F520 M521 C527 A528 F541 F544 | F520-I524 HydrophobicContact CD1-CG2 4.2Å; F520-I524 HydrophobicContact CE1-CG2 3.92Å; F520-I524 HydrophobicContact CE2-CG2 4.3Å; F520-I524 HydrophobicContact CG-CG2 4.5Å; F520-I524 HydrophobicContact CZ-CG2 3.97Å; F520-I524 WeakPolarHBondContact O-CG1 3.17Å; F520-I524 WeakPolarHBondContact O-CG2 3.24Å; F520-I524 PolarHBondContact O-N 2.93Å; M521-I524 WeakPolarHBondContact O-CG1 3.45Å; M521-I524 PolarHBondContact O-N 2.81Å; I524-C527 PolarHBondContact O-N 3.32Å; I524-A528 WeakPolarHBondContact O-CB 3.26Å; I524-A528 PolarHBondContact O-N 3.38Å; I524-F541 HydrophobicContact CB-CE2 4.07Å; I524-F541 HydrophobicContact CG2-CE2 4.4Å; I524-F544 HydrophobicContact CG2-CD1 4.19Å; I524-F544 HydrophobicContact CG2-CE1 4.19Å |
| 525 | L | 95.1 | Very high | 91.7 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 55% | 0.55 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 176.9 | -76.3 | 170.9 | 0 | 0 | 0 | 111.2 | M521 F522 R529 | M521-L525 HydrophobicContact CG-CD1 4.09Å; M521-L525 WeakPolarHBondContact O-CB 3.42Å; M521-L525 VanDerWaalsContact O-CG 3.28Å; M521-L525 WeakPolarHBondContact O-CG 3.22Å; M521-L525 PolarHBondContact O-N 3.08Å; F522-L525 PolarHBondContact O-N 2.92Å; L525-R529 WeakPolarHBondContact O-CB 3.22Å; L525-R529 PolarHBondContact O-N 3.1Å; L525-R529 VanDerWaalsContact O-N 3.08Å |
| 526 | L | 92.6 | Very high | 91.2 | Very high | 53 Ų | 53 | 61 Ų | 61 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 174.6 | -70.5 | 174.1 | 0 | 0 | 0 | 111.1 | Y424 L427 F522 G523 A528 R529 D530 | Y424-L526 HydrophobicContact CE1-CB 4.31Å; Y424-L526 VanDerWaalsContact OH-C 3.3Å; Y424-L526 PolarHBondContact OH-O 2.93Å; L427-L526 HydrophobicContact CD1-CD1 3.83Å; F522-L526 VanDerWaalsContact O-CG 3.3Å; F522-L526 WeakPolarHBondContact O-CG 3.27Å; F522-L526 PolarHBondContact O-N 2.72Å; G523-L526 PolarHBondContact O-N 2.97Å; L526-A528 PolarHBondContact O-N 3.5Å; L526-R529 PolarHBondContact O-N 3.37Å; L526-D530 WeakPolarHBondContact O-CB 3.31Å; L526-D530 VanDerWaalsContact O-CG 3.28Å; L526-D530 PolarHBondContact O-N 2.95Å |
| 527 | C | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | -179.5 | -165.6 | 0 | 0 | 0 | 0 | 112 | Y424 G523 I524 D530 V531 F541 | Y424-C527 HydrophobicContact CE1-CB 4.35Å; Y424-C527 WeakPolarHBondContact OH-CA 3.37Å; Y424-C527 PolarHBondContact OH-N 2.89Å; G523-C527 VanDerWaalsContact O-CB 3.3Å; G523-C527 WeakPolarHBondContact O-CB 3.45Å; G523-C527 PolarHBondContact O-N 3.44Å; I524-C527 PolarHBondContact O-N 3.32Å; C527-D530 PolarHBondContact O-N 2.67Å; C527-V531 WeakPolarHBondContact O-CB 3.49Å; C527-V531 WeakPolarHBondContact O-CG2 3.27Å; C527-V531 PolarHBondContact O-N 2.96Å; C527-F541 HydrophobicContact CB-CD2 4.14Å; C527-F541 VanDerWaalsContact SG-CA 3.52Å |
| 528 | A | 92.5 | Very high | 90.6 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I524 L526 D530 V531 V532 F541 | I524-A528 WeakPolarHBondContact O-CB 3.26Å; I524-A528 PolarHBondContact O-N 3.38Å; L526-A528 PolarHBondContact O-N 3.5Å; A528-D530 PolarHBondContact O-N 2.91Å; A528-V531 PolarHBondContact O-N 3.47Å; A528-V532 WeakPolarHBondContact O-CG2 3.47Å; A528-V532 PolarHBondContact O-N 3.41Å; A528-F541 HydrophobicContact CB-CE2 4.47Å |
| 529 | R | 92.6 | Very high | 90.2 | Very high | 135 Ų | 135 | 59 Ų | 59 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.4 | -174.6 | -164.6 | 69.1 | -177 | -0.9 | 111.5 | L525 L526 V531 V532 N533 | L525-R529 WeakPolarHBondContact O-CB 3.22Å; L525-R529 PolarHBondContact O-N 3.1Å; L525-R529 VanDerWaalsContact O-N 3.08Å; L526-R529 PolarHBondContact O-N 3.37Å; R529-V531 VanDerWaalsContact C-N 3.31Å; R529-V531 PolarHBondContact O-N 3.14Å; R529-V532 PolarHBondContact O-N 3.11Å; R529-N533 VanDerWaalsContact O-CG 3.24Å; R529-N533 PolarHBondContact O-N 3.28Å; R529-N533 PolarHBondContact O-ND2 3.43Å |
| 530 | D | 89.6 | Confident | 90.1 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.059 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.4 | -24.9 | -177.3 | -65.8 | -6.7 | 0 | 0 | 0 | 112.3 | Y424 L526 C527 A528 G534 I535 L536 | Y424-D530 PolarHBondContact OH-OD2 2.94Å; L526-D530 WeakPolarHBondContact O-CB 3.31Å; L526-D530 VanDerWaalsContact O-CG 3.28Å; L526-D530 PolarHBondContact O-N 2.95Å; C527-D530 PolarHBondContact O-N 2.67Å; A528-D530 PolarHBondContact O-N 2.91Å; D530-G534 PolarHBondContact O-N 2.86Å; D530-I535 HydrophobicContact CB-CB 4.44Å; D530-I535 WeakPolarHBondContact O-CB 3.37Å; D530-I535 PolarHBondContact O-N 3.35Å; D530-L536 HydrophobicContact CB-CD1 3.76Å; D530-L536 HydrophobicContact CB-CG 4.08Å; D530-L536 PolarHBondContact O-N 2.92Å |
| 531 | V | 88.1 | Confident | 90 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 22% | 0.224 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 169 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | C527 A528 R529 N533 G534 L536 F541 | C527-V531 WeakPolarHBondContact O-CB 3.49Å; C527-V531 WeakPolarHBondContact O-CG2 3.27Å; C527-V531 PolarHBondContact O-N 2.96Å; A528-V531 PolarHBondContact O-N 3.47Å; R529-V531 VanDerWaalsContact C-N 3.31Å; R529-V531 PolarHBondContact O-N 3.14Å; V531-N533 VanDerWaalsContact C-N 3.26Å; V531-N533 PolarHBondContact O-N 3.42Å; V531-G534 PolarHBondContact O-N 2.92Å; V531-L536 WeakPolarHBondContact CA-O 3.35Å; V531-L536 HydrophobicContact CG2-CB 3.85Å; V531-F541 HydrophobicContact CG2-CB 4.39Å |
| 532 | V | 89.1 | Confident | 89.8 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.4 | -35.6 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | A528 R529 G534 | A528-V532 WeakPolarHBondContact O-CG2 3.47Å; A528-V532 PolarHBondContact O-N 3.41Å; R529-V532 PolarHBondContact O-N 3.11Å; V532-G534 PolarHBondContact O-N 3.43Å |
| 533 | N | 87.7 | Confident | 89.6 | Confident | 102 Ų | 102 | 52 Ų | 52 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.4 | 175 | -68.1 | -20.8 | 0 | 0 | 0 | 113.8 | R529 V531 I535 | R529-N533 VanDerWaalsContact O-CG 3.24Å; R529-N533 PolarHBondContact O-N 3.28Å; R529-N533 PolarHBondContact O-ND2 3.43Å; V531-N533 VanDerWaalsContact C-N 3.26Å; V531-N533 PolarHBondContact O-N 3.42Å; N533-I535 HydrophobicContact CB-CD1 4.11Å; N533-I535 HydrophobicContact CB-CG1 4.14Å; N533-I535 PolarHBondContact O-N 2.84Å |
| 534 | G | 81 | Confident | 89.6 | Confident | 66 Ų | 66 | 52 Ų | 52 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 11.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | D530 V531 V532 | D530-G534 PolarHBondContact O-N 2.86Å; V531-G534 PolarHBondContact O-N 2.92Å; V532-G534 PolarHBondContact O-N 3.43Å |
| 535 | I | 82.7 | Confident | 89.5 | Confident | 106 Ų | 106 | 50.7 Ų | 50.7 | 54% | 0.544 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -76.8 | -37.7 | 177.4 | -57.6 | 170.3 | 0 | 0 | 0 | 110 | D530 N533 | D530-I535 HydrophobicContact CB-CB 4.44Å; D530-I535 WeakPolarHBondContact O-CB 3.37Å; D530-I535 PolarHBondContact O-N 3.35Å; N533-I535 HydrophobicContact CB-CD1 4.11Å; N533-I535 HydrophobicContact CB-CG1 4.14Å; N533-I535 PolarHBondContact O-N 2.84Å |
| 536 | L | 85 | Confident | 89.3 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -121.1 | 153.1 | -177.6 | -62.9 | 178.4 | 0 | 0 | 0 | 110.9 | F420 D530 V531 H540 | F420-L536 HydrophobicContact CD1-CD1 3.66Å; F420-L536 HydrophobicContact CD1-CD2 4.14Å; F420-L536 HydrophobicContact CE1-CD1 3.96Å; D530-L536 HydrophobicContact CB-CD1 3.76Å; D530-L536 HydrophobicContact CB-CG 4.08Å; D530-L536 PolarHBondContact O-N 2.92Å; V531-L536 WeakPolarHBondContact CA-O 3.35Å; V531-L536 HydrophobicContact CG2-CB 3.85Å; L536-H540 HydrophobicContact CB-CB 4.06Å; L536-H540 HydrophobicContact CD2-CB 4.34Å |
| 537 | T | 86.3 | Confident | 89.3 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | trans | -92.2 | 164.7 | 175.9 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | N273 G539 H540 F541 | N273-T537 PolarHBondContact ND2-OG1 3.38Å; N273-T537 VanDerWaalsContact OD1-CB 3.3Å; N273-T537 WeakPolarHBondContact OD1-CB 3.21Å; N273-T537 PolarHBondContact OD1-OG1 2.9Å; T537-G539 PolarHBondContact O-N 2.94Å; T537-H540 PolarHBondContact N-ND1 3.31Å; T537-H540 WeakPolarHBondContact O-CB 3.34Å; T537-H540 PolarHBondContact O-N 3.12Å; T537-H540 PolarHBondContact OG1-ND1 3.32Å; T537-F541 PolarHBondContact O-N 3.4Å | ||
| 538 | V | 88 | Confident | 89.2 | Confident | 74 Ų | 74 | 45.1 Ų | 45.1 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.1 | -34.5 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | V272 H540 F541 V542 | V272-V538 HydrophobicContact CG1-CG1 4.11Å; V538-H540 VanDerWaalsContact C-N 3.32Å; V538-H540 PolarHBondContact O-N 3.37Å; V538-F541 WeakPolarHBondContact O-CB 3.2Å; V538-F541 PolarHBondContact O-N 3.45Å; V538-V542 PolarHBondContact O-N 2.92Å |
| 539 | G | 86.8 | Confident | 89 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -30.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K269 N273 T537 F541 V542 L543 | K269-G539 WeakPolarHBondContact CB-O 3.47Å; N273-G539 VanDerWaalsContact OD1-CA 3.23Å; N273-G539 WeakPolarHBondContact OD1-CA 3.42Å; N273-G539 PolarHBondContact OD1-N 2.72Å; T537-G539 PolarHBondContact O-N 2.94Å; G539-F541 VanDerWaalsContact C-N 3.34Å; G539-V542 PolarHBondContact O-N 2.92Å; G539-L543 WeakPolarHBondContact O-CB 3.35Å; G539-L543 PolarHBondContact O-N 2.91Å |
| 540 | H | 90.6 | Very high | 88.8 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 174.3 | -71.7 | 84.3 | 0 | 0 | 0 | 111.9 | K269 F420 L536 T537 V538 L543 F544 | K269-H540 WeakPolarHBondContact CE-CE1 3.34Å; K269-H540 WeakPolarHBondContact CE-NE2 3.39Å; K269-H540 PolarHBondContact NZ-CE1 2.88Å; K269-H540 PolarHBondContact NZ-NE2 3.3Å; F420-H540 HydrophobicContact CE1-CB 3.92Å; F420-H540 HydrophobicContact CZ-CB 4.11Å; L536-H540 HydrophobicContact CB-CB 4.06Å; L536-H540 HydrophobicContact CD2-CB 4.34Å; T537-H540 PolarHBondContact N-ND1 3.31Å; T537-H540 WeakPolarHBondContact O-CB 3.34Å; T537-H540 PolarHBondContact O-N 3.12Å; T537-H540 PolarHBondContact OG1-ND1 3.32Å; V538-H540 VanDerWaalsContact C-N 3.32Å; V538-H540 PolarHBondContact O-N 3.37Å; H540-L543 WeakPolarHBondContact O-CB 3.21Å; H540-L543 PolarHBondContact O-N 3.4Å; H540-F544 PolarHBondContact O-N 2.87Å |
| 541 | F | 91.9 | Very high | 88.8 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 31% | 0.311 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.1 | -179.9 | -93.5 | 0 | 0 | 0 | 111.3 | I524 C527 A528 V531 T537 V538 G539 L543 F544 C545 | I524-F541 HydrophobicContact CB-CE2 4.07Å; I524-F541 HydrophobicContact CG2-CE2 4.4Å; C527-F541 HydrophobicContact CB-CD2 4.14Å; C527-F541 VanDerWaalsContact SG-CA 3.52Å; A528-F541 HydrophobicContact CB-CE2 4.47Å; V531-F541 HydrophobicContact CG2-CB 4.39Å; T537-F541 PolarHBondContact O-N 3.4Å; V538-F541 WeakPolarHBondContact O-CB 3.2Å; V538-F541 PolarHBondContact O-N 3.45Å; G539-F541 VanDerWaalsContact C-N 3.34Å; F541-L543 PolarHBondContact O-N 3.28Å; F541-F544 PolarHBondContact O-N 3.32Å; F541-C545 PolarHBondContact O-N 3.42Å; F541-C545 PolarHBondContact O-SG 3.46Å |
| 542 | V | 91.2 | Very high | 88.8 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 17% | 0.17 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | Y268 V272 V538 G539 C545 T546 | Y268-V542 HydrophobicContact CD1-CG1 3.37Å; Y268-V542 HydrophobicContact CE1-CG1 3.14Å; Y268-V542 HydrophobicContact CG-CG1 4.24Å; V272-V542 HydrophobicContact CG1-CG2 4.09Å; V272-V542 HydrophobicContact CG2-CB 4.27Å; V272-V542 HydrophobicContact CG2-CG1 4.11Å; V272-V542 HydrophobicContact CG2-CG2 4.15Å; V538-V542 PolarHBondContact O-N 2.92Å; G539-V542 PolarHBondContact O-N 2.92Å; V542-C545 PolarHBondContact O-N 3.07Å; V542-T546 HydrophobicContact CG1-CG2 4.28Å; V542-T546 WeakPolarHBondContact O-CB 3.49Å; V542-T546 WeakPolarHBondContact O-CG2 3.35Å; V542-T546 PolarHBondContact O-N 3.31Å; V542-T546 PolarHBondContact O-OG1 3.49Å |
| 543 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 173.1 | -167.7 | 154.3 | 0 | 0 | 0 | 110.8 | P265 I266 K269 Y415 F416 F420 G539 H540 F541 C545 T546 Y547 | P265-L543 HydrophobicContact CB-CG 4.22Å; I266-L543 HydrophobicContact CG1-CD1 4.33Å; K269-L543 HydrophobicContact CB-CB 4.04Å; K269-L543 HydrophobicContact CB-CD1 3.98Å; K269-L543 HydrophobicContact CB-CG 4.49Å; K269-L543 HydrophobicContact CD-CB 4.39Å; K269-L543 HydrophobicContact CD-CD1 3.55Å; K269-L543 HydrophobicContact CG-CD1 4.38Å; Y415-L543 HydrophobicContact CE1-CD1 4.12Å; Y415-L543 HydrophobicContact CE1-CD2 3.9Å; Y415-L543 WeakPolarHBondContact OH-CD1 3.48Å; F416-L543 HydrophobicContact CE1-CD2 4.22Å; F416-L543 HydrophobicContact CZ-CD2 4.37Å; F420-L543 HydrophobicContact CE2-CD2 3.9Å; F420-L543 HydrophobicContact CZ-CD2 4.08Å; G539-L543 WeakPolarHBondContact O-CB 3.35Å; G539-L543 PolarHBondContact O-N 2.91Å; H540-L543 WeakPolarHBondContact O-CB 3.21Å; H540-L543 PolarHBondContact O-N 3.4Å; F541-L543 PolarHBondContact O-N 3.28Å; L543-C545 VanDerWaalsContact C-N 3.32Å; L543-C545 PolarHBondContact O-N 2.85Å; L543-T546 PolarHBondContact O-N 2.99Å; L543-T546 PolarHBondContact O-OG1 3.44Å; L543-Y547 HydrophobicContact CD2-CD1 3.93Å; L543-Y547 WeakPolarHBondContact O-CB 3.42Å; L543-Y547 PolarHBondContact O-N 2.95Å |
| 544 | F | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -50.4 | 179.7 | -177.8 | -90.7 | 0 | 0 | 0 | 110.4 | F416 F420 Y424 L427 G523 I524 H540 F541 T546 I548 | F416-F544 HydrophobicContact CD1-CD2 4.49Å; F416-F544 AromaticContact CE1-CD2 3.7Å; F416-F544 HydrophobicContact CE1-CD2 3.7Å; F416-F544 HydrophobicContact CE1-CE2 4.3Å; F416-F544 HydrophobicContact CZ-CD2 4.17Å; F420-F544 HydrophobicContact CZ-CB 4.34Å; Y424-F544 HydrophobicContact CD1-CD2 4.3Å; Y424-F544 HydrophobicContact CD1-CE2 4.28Å; L427-F544 HydrophobicContact CD2-CZ 4.41Å; G523-F544 VanDerWaalsContact C-CE1 3.49Å; I524-F544 HydrophobicContact CG2-CD1 4.19Å; I524-F544 HydrophobicContact CG2-CE1 4.19Å; H540-F544 PolarHBondContact O-N 2.87Å; F541-F544 PolarHBondContact O-N 3.32Å; F544-T546 PolarHBondContact O-N 3.42Å; F544-I548 HydrophobicContact CD1-CG1 4.3Å; F544-I548 HydrophobicContact CD2-CG1 4.22Å; F544-I548 HydrophobicContact CE1-CG1 3.89Å; F544-I548 HydrophobicContact CE2-CD1 4.01Å; F544-I548 HydrophobicContact CE2-CG1 3.8Å; F544-I548 HydrophobicContact CG-CG1 4.43Å; F544-I548 HydrophobicContact CZ-CD1 3.96Å; F544-I548 HydrophobicContact CZ-CG1 3.59Å; F544-I548 WeakPolarHBondContact O-CB 3.31Å; F544-I548 VanDerWaalsContact O-CG1 3.24Å; F544-I548 WeakPolarHBondContact O-CG1 3.48Å; F544-I548 PolarHBondContact O-N 3.03Å |
| 545 | C | 92.4 | Very high | 88.6 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 179 | -71.3 | 0 | 0 | 0 | 0 | 112.4 | F520 F541 V542 L543 I549 | F520-C545 HydrophobicContact CE2-CB 4.4Å; F520-C545 HydrophobicContact CZ-CB 4.3Å; F541-C545 PolarHBondContact O-N 3.42Å; F541-C545 PolarHBondContact O-SG 3.46Å; V542-C545 PolarHBondContact O-N 3.07Å; L543-C545 VanDerWaalsContact C-N 3.32Å; L543-C545 PolarHBondContact O-N 2.85Å; C545-I549 WeakPolarHBondContact O-CD1 3.49Å; C545-I549 VanDerWaalsContact O-CG1 3.3Å; C545-I549 WeakPolarHBondContact O-CG1 3.5Å |
| 546 | T | 91 | Very high | 88.7 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 19% | 0.19 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.1 | -37 | -175.4 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | Y268 V542 L543 F544 Q550 | Y268-T546 HydrophobicContact CD1-CG2 3.59Å; Y268-T546 HydrophobicContact CE1-CG2 3.61Å; V542-T546 HydrophobicContact CG1-CG2 4.28Å; V542-T546 WeakPolarHBondContact O-CB 3.49Å; V542-T546 WeakPolarHBondContact O-CG2 3.35Å; V542-T546 PolarHBondContact O-N 3.31Å; V542-T546 PolarHBondContact O-OG1 3.49Å; L543-T546 PolarHBondContact O-N 2.99Å; L543-T546 PolarHBondContact O-OG1 3.44Å; F544-T546 PolarHBondContact O-N 3.42Å; T546-Q550 WeakPolarHBondContact O-CB 3.42Å; T546-Q550 PolarHBondContact O-N 3.05Å; T546-Q550 VanDerWaalsContact O-N 3.08Å |
| 547 | Y | 91.7 | Very high | 88.7 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.2 | -41.6 | -179.9 | -156.1 | 152 | 0 | 0 | 0 | 110.3 | L262 P265 Y415 F416 L543 I549 Q550 L551 | L262-Y547 HydrophobicContact CD1-CE1 3.88Å; L262-Y547 WeakPolarHBondContact CD1-OH 3.34Å; P265-Y547 HydrophobicContact CB-CD1 4.06Å; P265-Y547 HydrophobicContact CB-CG 4.2Å; P265-Y547 HydrophobicContact CG-CD1 4.07Å; P265-Y547 HydrophobicContact CG-CG 3.96Å; Y415-Y547 HydrophobicContact CD1-CD1 4.16Å; Y415-Y547 AromaticContact CD1-CE1 3.72Å; Y415-Y547 HydrophobicContact CD1-CE1 3.72Å; Y415-Y547 HydrophobicContact CE1-CD1 4.32Å; Y415-Y547 HydrophobicContact CE1-CE1 4.19Å; Y415-Y547 HydrophobicContact CG-CE1 4.17Å; F416-Y547 HydrophobicContact CE2-CD1 4.39Å; F416-Y547 HydrophobicContact CE2-CG 4.2Å; F416-Y547 HydrophobicContact CZ-CD1 4.37Å; F416-Y547 HydrophobicContact CZ-CG 4.2Å; L543-Y547 HydrophobicContact CD2-CD1 3.93Å; L543-Y547 WeakPolarHBondContact O-CB 3.42Å; L543-Y547 PolarHBondContact O-N 2.95Å; Y547-I549 VanDerWaalsContact C-N 3.33Å; Y547-I549 PolarHBondContact O-N 3.33Å; Y547-Q550 WeakPolarHBondContact O-CA 3.42Å; Y547-Q550 WeakPolarHBondContact O-CB 3.39Å; Y547-Q550 PolarHBondContact O-N 3.31Å; Y547-L551 HydrophobicContact CD2-CD1 3.87Å; Y547-L551 HydrophobicContact CD2-CD2 4.36Å; Y547-L551 HydrophobicContact CD2-CG 3.73Å; Y547-L551 HydrophobicContact CE2-CD1 3.92Å; Y547-L551 HydrophobicContact CE2-CD2 3.85Å; Y547-L551 HydrophobicContact CE2-CG 3.73Å; Y547-L551 PolarHBondContact O-N 3.09Å |
| 548 | I | 90.9 | Very high | 88.7 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 177.3 | -68.5 | -71.8 | 0 | 0 | 0 | 111.9 | F416 V428 F520 F544 Q550 L551 Y552 | F416-I548 HydrophobicContact CE2-CD1 4.4Å; F416-I548 HydrophobicContact CZ-CD1 4.42Å; F416-I548 HydrophobicContact CZ-CG1 4.47Å; V428-I548 HydrophobicContact CG1-CD1 4.41Å; V428-I548 HydrophobicContact CG2-CD1 3.57Å; F520-I548 HydrophobicContact CD2-CB 4.31Å; F520-I548 HydrophobicContact CD2-CG2 3.86Å; F544-I548 HydrophobicContact CD1-CG1 4.3Å; F544-I548 HydrophobicContact CD2-CG1 4.22Å; F544-I548 HydrophobicContact CE1-CG1 3.89Å; F544-I548 HydrophobicContact CE2-CD1 4.01Å; F544-I548 HydrophobicContact CE2-CG1 3.8Å; F544-I548 HydrophobicContact CG-CG1 4.43Å; F544-I548 HydrophobicContact CZ-CD1 3.96Å; F544-I548 HydrophobicContact CZ-CG1 3.59Å; F544-I548 WeakPolarHBondContact O-CB 3.31Å; F544-I548 VanDerWaalsContact O-CG1 3.24Å; F544-I548 WeakPolarHBondContact O-CG1 3.48Å; F544-I548 PolarHBondContact O-N 3.03Å; I548-Q550 VanDerWaalsContact C-N 3.29Å; I548-Q550 PolarHBondContact O-N 3.17Å; I548-L551 PolarHBondContact O-N 3.47Å; I548-Y552 PolarHBondContact O-N 3.11Å; I548-Y552 VanDerWaalsContact O-N 3.09Å |
| 549 | I | 88.6 | Confident | 88.4 | Confident | 101 Ų | 101 | 29 Ų | 29 | 52% | 0.518 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 175.6 | -65.3 | 169.7 | 0 | 0 | 0 | 110.9 | F520 C545 Y547 Y552 S553 | F520-I549 HydrophobicContact CE2-CG1 4.5Å; C545-I549 WeakPolarHBondContact O-CD1 3.49Å; C545-I549 VanDerWaalsContact O-CG1 3.3Å; C545-I549 WeakPolarHBondContact O-CG1 3.5Å; Y547-I549 VanDerWaalsContact C-N 3.33Å; Y547-I549 PolarHBondContact O-N 3.33Å; I549-Y552 PolarHBondContact O-N 3.36Å; I549-S553 PolarHBondContact O-N 2.98Å; I549-S553 VanDerWaalsContact O-N 3.16Å |
| 550 | Q | 87.8 | Confident | 88.4 | Confident | 29 Ų | 29 | 32 Ų | 32 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.9 | -170.7 | -168.2 | 90.1 | 0 | 0 | 112.3 | N261 T546 Y547 I548 Y552 P554 | N261-Q550 PolarHBondContact O-NE2 2.95Å; N261-Q550 PolarHBondContact O-OE1 3.43Å; T546-Q550 WeakPolarHBondContact O-CB 3.42Å; T546-Q550 PolarHBondContact O-N 3.05Å; T546-Q550 VanDerWaalsContact O-N 3.08Å; Y547-Q550 WeakPolarHBondContact O-CA 3.42Å; Y547-Q550 WeakPolarHBondContact O-CB 3.39Å; Y547-Q550 PolarHBondContact O-N 3.31Å; I548-Q550 VanDerWaalsContact C-N 3.29Å; I548-Q550 PolarHBondContact O-N 3.17Å; Q550-Y552 VanDerWaalsContact C-N 3.27Å; Q550-Y552 PolarHBondContact O-N 2.86Å; Q550-P554 WeakPolarHBondContact O-CD 3.48Å |
| 551 | L | 89.2 | Confident | 88.2 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.2 | -31.1 | 176.8 | -73.3 | 171.5 | 0 | 0 | 0 | 112.2 | D408 F416 V428 M432 Y547 I548 P554 | D408-L551 HydrophobicContact CB-CD2 4.17Å; D408-L551 WeakPolarHBondContact O-CD2 3.5Å; F416-L551 HydrophobicContact CE2-CD1 4.26Å; V428-L551 HydrophobicContact CG1-CD1 4.06Å; M432-L551 HydrophobicContact CE-CB 4Å; Y547-L551 HydrophobicContact CD2-CD1 3.87Å; Y547-L551 HydrophobicContact CD2-CD2 4.36Å; Y547-L551 HydrophobicContact CD2-CG 3.73Å; Y547-L551 HydrophobicContact CE2-CD1 3.92Å; Y547-L551 HydrophobicContact CE2-CD2 3.85Å; Y547-L551 HydrophobicContact CE2-CG 3.73Å; Y547-L551 PolarHBondContact O-N 3.09Å; I548-L551 PolarHBondContact O-N 3.47Å; L551-P554 WeakPolarHBondContact O-CD 3.26Å |
| 552 | Y | 87.4 | Confident | 87.6 | Confident | 59 Ų | 59 | 33.5 Ų | 33.5 | 23% | 0.231 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.7 | -40.5 | 179.1 | 173.7 | -115.8 | 0 | 0 | 0 | 114.2 | Y435 I516 I548 I549 Q550 L555 S556 | Y435-Y552 HydrophobicContact CD2-CE2 4.38Å; Y435-Y552 HydrophobicContact CE2-CD2 4.03Å; Y435-Y552 AromaticContact CE2-CE2 3.43Å; Y435-Y552 HydrophobicContact CE2-CE2 3.43Å; Y435-Y552 VanDerWaalsContact CE2-CE2 3.43Å; Y435-Y552 AromaticContact CZ-CE2 3.58Å; Y435-Y552 VanDerWaalsContact OH-CE2 3.31Å; Y435-Y552 WeakPolarHBondContact OH-CE2 3.43Å; I516-Y552 HydrophobicContact CB-CD2 4.46Å; I516-Y552 HydrophobicContact CB-CE2 4.49Å; I516-Y552 HydrophobicContact CD1-CD1 3.7Å; I516-Y552 HydrophobicContact CD1-CD2 3.27Å; I516-Y552 HydrophobicContact CD1-CE1 4.31Å; I516-Y552 HydrophobicContact CD1-CE2 3.92Å; I516-Y552 HydrophobicContact CD1-CG 3.12Å; I516-Y552 HydrophobicContact CG1-CD2 4.44Å; I516-Y552 HydrophobicContact CG2-CE2 4.32Å; I548-Y552 PolarHBondContact O-N 3.11Å; I548-Y552 VanDerWaalsContact O-N 3.09Å; I549-Y552 PolarHBondContact O-N 3.36Å; Q550-Y552 VanDerWaalsContact C-N 3.27Å; Q550-Y552 PolarHBondContact O-N 2.86Å; Y552-L555 WeakPolarHBondContact O-CA 3.24Å; Y552-L555 WeakPolarHBondContact O-CB 3.44Å; Y552-L555 PolarHBondContact O-N 2.81Å; Y552-S556 PolarHBondContact O-N 3.31Å; Y552-S556 VanDerWaalsContact O-N 3.13Å |
| 553 | S | 84.7 | Confident | 87 | Confident | 43 Ų | 43 | 34.3 Ų | 34.3 | 30% | 0.301 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -46.5 | -55.1 | -176.4 | 172.3 | 0 | 0 | 0 | 0 | 113.5 | G330 I549 L555 S556 | G330-S553 PolarHBondContact O-OG 3.2Å; I549-S553 PolarHBondContact O-N 2.98Å; I549-S553 VanDerWaalsContact O-N 3.16Å; S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 PolarHBondContact O-N 3.3Å; S553-S556 PolarHBondContact O-N 3.47Å; S553-S556 PolarHBondContact O-OG 3.21Å |
| 554 | P | 83.4 | Confident | 86.7 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 23% | 0.234 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -27 | 179.1 | 27.6 | -35.2 | 0 | 0 | 0 | 113.4 | T405 Q550 L551 S556 I557 F558 | T405-P554 HydrophobicContact CG2-CB 4.29Å; T405-P554 HydrophobicContact CG2-CG 4.41Å; Q550-P554 WeakPolarHBondContact O-CD 3.48Å; L551-P554 WeakPolarHBondContact O-CD 3.26Å; P554-S556 VanDerWaalsContact C-N 3.33Å; P554-S556 PolarHBondContact O-N 2.85Å; P554-I557 PolarHBondContact O-N 3.07Å; P554-F558 PolarHBondContact O-N 3.32Å |
| 555 | L | 86.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.2 | -29.5 | -177.8 | -158.5 | 62.8 | 0 | 0 | 0 | 112.1 | T405 I409 M432 Y435 L436 Y552 S553 I557 F558 | T405-L555 HydrophobicContact CG2-CD1 4.16Å; I409-L555 HydrophobicContact CD1-CD1 4.36Å; M432-L555 HydrophobicContact SD-CD2 3.67Å; Y435-L555 HydrophobicContact CD1-CB 4.33Å; Y435-L555 HydrophobicContact CD1-CD1 4.23Å; Y435-L555 HydrophobicContact CD1-CD2 3.07Å; Y435-L555 HydrophobicContact CD1-CG 3.28Å; Y435-L555 HydrophobicContact CD2-CD2 4.44Å; Y435-L555 HydrophobicContact CE1-CB 4.04Å; Y435-L555 HydrophobicContact CE1-CD1 4.5Å; Y435-L555 HydrophobicContact CE1-CD2 3.64Å; Y435-L555 HydrophobicContact CE1-CG 3.37Å; Y435-L555 HydrophobicContact CG-CD2 3.53Å; Y435-L555 HydrophobicContact CG-CG 4.23Å; L436-L555 HydrophobicContact CD1-CD1 4.38Å; Y552-L555 WeakPolarHBondContact O-CA 3.24Å; Y552-L555 WeakPolarHBondContact O-CB 3.44Å; Y552-L555 PolarHBondContact O-N 2.81Å; S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 PolarHBondContact O-N 3.3Å; L555-I557 VanDerWaalsContact C-N 3.29Å; L555-I557 PolarHBondContact O-N 2.92Å; L555-F558 HydrophobicContact CD1-CB 4.24Å; L555-F558 HydrophobicContact CD1-CG 4.37Å; L555-F558 WeakPolarHBondContact O-CB 3.21Å; L555-F558 PolarHBondContact O-N 3.39Å; L555-F558 VanDerWaalsContact O-N 3.17Å |
| 556 | S | 84.7 | Confident | 85.5 | Confident | 48 Ų | 48 | 39.5 Ų | 39.5 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -34.3 | 176.3 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | Y435 Y552 S553 P554 | Y435-S556 WeakPolarHBondContact OH-CA 3.41Å; Y552-S556 PolarHBondContact O-N 3.31Å; Y552-S556 VanDerWaalsContact O-N 3.13Å; S553-S556 PolarHBondContact O-N 3.47Å; S553-S556 PolarHBondContact O-OG 3.21Å; P554-S556 VanDerWaalsContact C-N 3.33Å; P554-S556 PolarHBondContact O-N 2.85Å |
| 557 | I | 86.2 | Confident | 85 | Confident | 81 Ų | 81 | 40.2 Ų | 40.2 | 42% | 0.415 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -93.5 | -10.7 | 179.6 | -55.2 | 173.9 | 0 | 0 | 0 | 111.2 | P554 L555 G559 T560 Y561 | P554-I557 PolarHBondContact O-N 3.07Å; L555-I557 VanDerWaalsContact C-N 3.29Å; L555-I557 PolarHBondContact O-N 2.92Å; I557-G559 VanDerWaalsContact C-N 3.31Å; I557-G559 PolarHBondContact O-N 3.34Å; I557-T560 WeakPolarHBondContact O-CA 3.22Å; I557-T560 WeakPolarHBondContact O-CB 3.19Å; I557-T560 PolarHBondContact O-N 3.4Å; I557-Y561 HydrophobicContact CB-CD2 4.4Å; I557-Y561 HydrophobicContact CB-CE2 4.12Å; I557-Y561 HydrophobicContact CG2-CD2 3.78Å; I557-Y561 HydrophobicContact CG2-CE2 3.41Å; I557-Y561 VanDerWaalsContact CG2-CE2 3.41Å; I557-Y561 PolarHBondContact O-N 3.26Å; I557-Y561 VanDerWaalsContact O-N 3.1Å |
| 558 | F | 85.1 | Confident | 84.7 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.8 | -44.8 | -177.7 | -176.1 | -89.4 | 0 | 0 | 0 | 112.9 | I402 T405 L436 V440 P554 L555 T560 Y561 Y562 | I402-F558 HydrophobicContact CG1-CE2 4.3Å; I402-F558 HydrophobicContact CG2-CE2 4.07Å; T405-F558 HydrophobicContact CG2-CD2 4.32Å; L436-F558 HydrophobicContact CD1-CE1 4.29Å; L436-F558 HydrophobicContact CD1-CE2 4.5Å; L436-F558 HydrophobicContact CD1-CZ 4.11Å; L436-F558 HydrophobicContact CG-CE1 4.14Å; L436-F558 HydrophobicContact CG-CZ 4.44Å; V440-F558 HydrophobicContact CG2-CE1 4.09Å; P554-F558 PolarHBondContact O-N 3.32Å; L555-F558 HydrophobicContact CD1-CB 4.24Å; L555-F558 HydrophobicContact CD1-CG 4.37Å; L555-F558 WeakPolarHBondContact O-CB 3.21Å; L555-F558 PolarHBondContact O-N 3.39Å; L555-F558 VanDerWaalsContact O-N 3.17Å; F558-T560 PolarHBondContact O-N 3.08Å; F558-Y561 PolarHBondContact O-N 3.15Å; F558-Y561 VanDerWaalsContact O-N 3.15Å; F558-Y562 WeakPolarHBondContact O-CB 3.36Å; F558-Y562 PolarHBondContact O-N 2.88Å |
| 559 | G | 81.9 | Confident | 84.2 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -32.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | I557 R563 | I557-G559 VanDerWaalsContact C-N 3.31Å; I557-G559 PolarHBondContact O-N 3.34Å; G559-R563 PolarHBondContact O-N 3.08Å |
| 560 | T | 85.8 | Confident | 83.7 | Confident | 63 Ų | 63 | 40 Ų | 40 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71 | -47.3 | 173.7 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | I557 F558 Y562 R563 L564 | I557-T560 WeakPolarHBondContact O-CA 3.22Å; I557-T560 WeakPolarHBondContact O-CB 3.19Å; I557-T560 PolarHBondContact O-N 3.4Å; F558-T560 PolarHBondContact O-N 3.08Å; T560-Y562 VanDerWaalsContact C-N 3.3Å; T560-Y562 PolarHBondContact O-N 3.38Å; T560-R563 PolarHBondContact O-N 2.87Å; T560-L564 HydrophobicContact CG2-CD1 3.85Å; T560-L564 HydrophobicContact CG2-CG 4.29Å; T560-L564 VanDerWaalsContact O-CG 3.3Å; T560-L564 WeakPolarHBondContact O-CG 3.34Å; T560-L564 PolarHBondContact O-N 3.21Å |
| 561 | Y | 86.3 | Confident | 83.6 | Confident | 58 Ų | 58 | 40.3 Ų | 40.3 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -37.3 | 176.3 | -72.8 | -56.3 | 0 | 0 | 0 | 113 | Y397 N401 I557 F558 L564 L565 | Y397-Y561 AromaticContact CD1-CD1 3.45Å; Y397-Y561 HydrophobicContact CD1-CD1 3.45Å; Y397-Y561 VanDerWaalsContact CD1-CD1 3.45Å; Y397-Y561 AromaticContact CD1-CE1 3.71Å; Y397-Y561 HydrophobicContact CD1-CE1 3.71Å; Y397-Y561 AromaticContact CE1-CD1 3.93Å; Y397-Y561 HydrophobicContact CE1-CD1 3.93Å; Y397-Y561 AromaticContact CE1-CE1 3.95Å; Y397-Y561 HydrophobicContact CE1-CE1 3.95Å; Y397-Y561 HydrophobicContact CG-CD1 4.07Å; N401-Y561 HydrophobicContact CB-CD1 4.29Å; N401-Y561 HydrophobicContact CB-CD2 3.73Å; N401-Y561 HydrophobicContact CB-CE1 4.28Å; N401-Y561 HydrophobicContact CB-CE2 3.69Å; N401-Y561 HydrophobicContact CB-CG 4.05Å; N401-Y561 VanDerWaalsContact CG-CZ 3.4Å; N401-Y561 WeakPolarHBondContact OD1-CE2 3.16Å; N401-Y561 VanDerWaalsContact OD1-CZ 3.26Å; N401-Y561 PolarHBondContact OD1-OH 3.06Å; I557-Y561 HydrophobicContact CB-CD2 4.4Å; I557-Y561 HydrophobicContact CB-CE2 4.12Å; I557-Y561 HydrophobicContact CG2-CD2 3.78Å; I557-Y561 HydrophobicContact CG2-CE2 3.41Å; I557-Y561 VanDerWaalsContact CG2-CE2 3.41Å; I557-Y561 PolarHBondContact O-N 3.26Å; I557-Y561 VanDerWaalsContact O-N 3.1Å; F558-Y561 PolarHBondContact O-N 3.15Å; F558-Y561 VanDerWaalsContact O-N 3.15Å; Y561-L564 HydrophobicContact CD1-CD1 4.42Å; Y561-L564 PolarHBondContact O-N 2.92Å; Y561-L565 WeakPolarHBondContact O-CB 3.38Å; Y561-L565 PolarHBondContact O-N 3.39Å |
| 562 | Y | 80.6 | Confident | 83.2 | Confident | 65 Ų | 65 | 40.1 Ų | 40.1 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.8 | -48 | 175.1 | 178.8 | -100.4 | 0 | 0 | 0 | 111.8 | V440 F558 T560 L565 Q566 | V440-Y562 HydrophobicContact CG1-CE1 4.13Å; F558-Y562 WeakPolarHBondContact O-CB 3.36Å; F558-Y562 PolarHBondContact O-N 2.88Å; T560-Y562 VanDerWaalsContact C-N 3.3Å; T560-Y562 PolarHBondContact O-N 3.38Å; Y562-L565 WeakPolarHBondContact O-CB 3.17Å; Y562-L565 PolarHBondContact O-N 3Å; Y562-Q566 VanDerWaalsContact CE1-CD 3.49Å; Y562-Q566 HydrophobicContact CE1-CG 4.19Å; Y562-Q566 VanDerWaalsContact CZ-NE2 3.29Å; Y562-Q566 WeakPolarHBondContact O-CG 3.42Å; Y562-Q566 PolarHBondContact O-N 2.71Å; Y562-Q566 PolarHBondContact OH-NE2 2.7Å |
| 563 | R | 77.9 | Confident | 82.8 | Confident | 45 Ų | 45 | 40 Ų | 40 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 176 | -74 | -170.2 | -63.5 | 179.4 | 4.8 | 112.8 | T443 G559 T560 L565 Q566 A567 | T443-R563 HydrophobicContact CG2-CG 3.38Å; G559-R563 PolarHBondContact O-N 3.08Å; T560-R563 PolarHBondContact O-N 2.87Å; R563-L565 VanDerWaalsContact C-N 3.28Å; R563-L565 PolarHBondContact O-N 3.38Å; R563-Q566 PolarHBondContact O-N 2.86Å; R563-A567 PolarHBondContact O-N 3.41Å |
| 564 | L | 86.1 | Confident | 82.7 | Confident | 65 Ų | 65 | 41 Ų | 41 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 177.5 | -70 | 172.3 | 0 | 0 | 0 | 110.8 | Y397 T560 Y561 A567 S568 | Y397-L564 HydrophobicContact CD2-CB 4.03Å; Y397-L564 HydrophobicContact CE1-CD1 4.26Å; Y397-L564 HydrophobicContact CE2-CB 3.49Å; Y397-L564 VanDerWaalsContact CE2-CB 3.49Å; Y397-L564 HydrophobicContact CE2-CD1 4.42Å; Y397-L564 HydrophobicContact CE2-CG 4.5Å; T560-L564 HydrophobicContact CG2-CD1 3.85Å; T560-L564 HydrophobicContact CG2-CG 4.29Å; T560-L564 VanDerWaalsContact O-CG 3.3Å; T560-L564 WeakPolarHBondContact O-CG 3.34Å; T560-L564 PolarHBondContact O-N 3.21Å; Y561-L564 HydrophobicContact CD1-CD1 4.42Å; Y561-L564 PolarHBondContact O-N 2.92Å; L564-A567 PolarHBondContact O-N 2.97Å; L564-S568 WeakPolarHBondContact O-CB 3.36Å; L564-S568 PolarHBondContact O-N 3.33Å; L564-S568 PolarHBondContact O-OG 3.28Å |
| 565 | L | 83.7 | Confident | 82.8 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.8 | -174.4 | 74 | 0 | 0 | 0 | 111.7 | I394 L398 I402 Y561 Y562 R563 A567 S568 F569 | I394-L565 HydrophobicContact CB-CD1 4.26Å; I394-L565 HydrophobicContact CG1-CD1 4.2Å; I394-L565 HydrophobicContact CG2-CD1 3.97Å; L398-L565 HydrophobicContact CD1-CD1 4.23Å; L398-L565 HydrophobicContact CD2-CD1 4.13Å; L398-L565 HydrophobicContact CD2-CD2 3.79Å; L398-L565 HydrophobicContact CG-CD1 3.78Å; L398-L565 HydrophobicContact CG-CD2 4.38Å; I402-L565 HydrophobicContact CD1-CB 4.44Å; I402-L565 HydrophobicContact CD1-CD2 3.78Å; Y561-L565 WeakPolarHBondContact O-CB 3.38Å; Y561-L565 PolarHBondContact O-N 3.39Å; Y562-L565 WeakPolarHBondContact O-CB 3.17Å; Y562-L565 PolarHBondContact O-N 3Å; R563-L565 VanDerWaalsContact C-N 3.28Å; R563-L565 PolarHBondContact O-N 3.38Å; L565-A567 PolarHBondContact O-N 3.34Å; L565-S568 PolarHBondContact O-N 2.64Å; L565-F569 HydrophobicContact CD1-CD2 4.48Å; L565-F569 HydrophobicContact CD1-CE2 3.92Å; L565-F569 HydrophobicContact CD1-CZ 4.38Å; L565-F569 HydrophobicContact CD2-CE2 3.87Å; L565-F569 HydrophobicContact CG-CD2 3.95Å; L565-F569 HydrophobicContact CG-CE2 3.54Å; L565-F569 HydrophobicContact CG-CZ 4.44Å; L565-F569 WeakPolarHBondContact O-CD2 3.34Å; L565-F569 PolarHBondContact O-N 3.21Å |
| 566 | Q | 76.5 | Confident | 82.6 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 175.2 | -73.3 | 179.2 | -27.5 | 0 | 0 | 112 | E444 Y562 R563 F569 I570 | E444-Q566 PolarHBondContact OE2-NE2 3.41Å; Y562-Q566 VanDerWaalsContact CE1-CD 3.49Å; Y562-Q566 HydrophobicContact CE1-CG 4.19Å; Y562-Q566 VanDerWaalsContact CZ-NE2 3.29Å; Y562-Q566 WeakPolarHBondContact O-CG 3.42Å; Y562-Q566 PolarHBondContact O-N 2.71Å; Y562-Q566 PolarHBondContact OH-NE2 2.7Å; R563-Q566 PolarHBondContact O-N 2.86Å; Q566-F569 WeakPolarHBondContact O-CB 3.42Å; Q566-F569 PolarHBondContact O-N 2.87Å; Q566-I570 WeakPolarHBondContact O-CG1 3.42Å; Q566-I570 PolarHBondContact O-N 3.06Å |
| 567 | A | 79.7 | Confident | 82.5 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 37% | 0.372 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -47 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R563 L564 L565 F569 I570 D571 | R563-A567 PolarHBondContact O-N 3.41Å; L564-A567 PolarHBondContact O-N 2.97Å; L565-A567 PolarHBondContact O-N 3.34Å; A567-F569 VanDerWaalsContact C-N 3.26Å; A567-F569 PolarHBondContact O-N 3.17Å; A567-I570 WeakPolarHBondContact O-CB 3.18Å; A567-I570 PolarHBondContact O-N 3.36Å; A567-D571 PolarHBondContact O-N 3.21Å |
| 568 | S | 86.3 | Confident | 82.5 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -32.7 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | S390 I394 L564 L565 I570 M572 | S390-S568 WeakPolarHBondContact CB-O 3.34Å; I394-S568 VanDerWaalsContact CG1-CB 3.49Å; L564-S568 WeakPolarHBondContact O-CB 3.36Å; L564-S568 PolarHBondContact O-N 3.33Å; L564-S568 PolarHBondContact O-OG 3.28Å; L565-S568 PolarHBondContact O-N 2.64Å; S568-I570 VanDerWaalsContact C-N 3.35Å; S568-M572 WeakPolarHBondContact O-CB 3.46Å; S568-M572 PolarHBondContact O-N 3.18Å |
| 569 | F | 80.1 | Confident | 82.5 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 172.8 | -83.2 | -57.6 | 0 | 0 | 0 | 112.3 | R224 I394 L565 Q566 A567 M572 E573 | R224-F569 HydrophobicContact CB-CD1 4.45Å; R224-F569 HydrophobicContact CB-CE1 4.36Å; R224-F569 HydrophobicContact CG-CD1 4.37Å; I394-F569 HydrophobicContact CD1-CD1 3.91Å; I394-F569 HydrophobicContact CD1-CE1 4.11Å; I394-F569 HydrophobicContact CD1-CG 4.42Å; I394-F569 HydrophobicContact CG2-CE1 4.37Å; I394-F569 HydrophobicContact CG2-CZ 4.33Å; L565-F569 HydrophobicContact CD1-CD2 4.48Å; L565-F569 HydrophobicContact CD1-CE2 3.92Å; L565-F569 HydrophobicContact CD1-CZ 4.38Å; L565-F569 HydrophobicContact CD2-CE2 3.87Å; L565-F569 HydrophobicContact CG-CD2 3.95Å; L565-F569 HydrophobicContact CG-CE2 3.54Å; L565-F569 HydrophobicContact CG-CZ 4.44Å; L565-F569 WeakPolarHBondContact O-CD2 3.34Å; L565-F569 PolarHBondContact O-N 3.21Å; Q566-F569 WeakPolarHBondContact O-CB 3.42Å; Q566-F569 PolarHBondContact O-N 2.87Å; A567-F569 VanDerWaalsContact C-N 3.26Å; A567-F569 PolarHBondContact O-N 3.17Å; F569-M572 HydrophobicContact CD1-CE 3.75Å; F569-M572 HydrophobicContact CE1-CE 4.21Å; F569-E573 VanDerWaalsContact O-CB 3.29Å; F569-E573 WeakPolarHBondContact O-CB 3.43Å; F569-E573 PolarHBondContact O-N 3.01Å |
| 570 | I | 77.3 | Confident | 82.5 | Confident | 83 Ų | 83 | 43.9 Ų | 43.9 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.6 | -45.8 | 178.1 | -64.1 | 164.2 | 0 | 0 | 0 | 110.7 | Q566 A567 S568 M572 E573 N574 | Q566-I570 WeakPolarHBondContact O-CG1 3.42Å; Q566-I570 PolarHBondContact O-N 3.06Å; A567-I570 WeakPolarHBondContact O-CB 3.18Å; A567-I570 PolarHBondContact O-N 3.36Å; S568-I570 VanDerWaalsContact C-N 3.35Å; I570-M572 VanDerWaalsContact C-N 3.32Å; I570-M572 PolarHBondContact O-N 2.92Å; I570-E573 WeakPolarHBondContact O-CB 3.18Å; I570-E573 PolarHBondContact O-N 3.33Å; I570-N574 PolarHBondContact O-N 3.29Å; I570-N574 PolarHBondContact O-ND2 3.4Å |
| 571 | D | 85.9 | Confident | 82.5 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 178.9 | -77.7 | -32.6 | 0 | 0 | 0 | 111.6 | R386 S390 A567 M575 | R386-D571 HydrophobicContact CB-CB 4.11Å; R386-D571 IonicContact NH1-OD1 3.93Å; S390-D571 WeakPolarHBondContact OG-CB 3.21Å; A567-D571 PolarHBondContact O-N 3.21Å; D571-M575 PolarHBondContact O-N 3.17Å; D571-M575 VanDerWaalsContact O-N 3.15Å |
| 572 | M | 82.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 173.1 | -177.9 | -172.4 | 69.8 | 0 | 0 | 112 | R227 I391 I394 S568 F569 I570 M575 F576 | R227-M572 HydrophobicContact CB-CE 4.34Å; I391-M572 HydrophobicContact CG1-CG 4.22Å; I391-M572 HydrophobicContact CG1-SD 4.25Å; I394-M572 HydrophobicContact CD1-CB 4.25Å; I394-M572 HydrophobicContact CD1-CE 4.08Å; I394-M572 HydrophobicContact CD1-SD 3.67Å; S568-M572 WeakPolarHBondContact O-CB 3.46Å; S568-M572 PolarHBondContact O-N 3.18Å; F569-M572 HydrophobicContact CD1-CE 3.75Å; F569-M572 HydrophobicContact CE1-CE 4.21Å; I570-M572 VanDerWaalsContact C-N 3.32Å; I570-M572 PolarHBondContact O-N 2.92Å; M572-M575 WeakPolarHBondContact O-CB 3.46Å; M572-M575 PolarHBondContact O-N 3.05Å; M572-F576 HydrophobicContact CE-CE2 4.4Å; M572-F576 HydrophobicContact CG-CD2 3.74Å; M572-F576 HydrophobicContact CG-CE2 3.49Å; M572-F576 VanDerWaalsContact CG-CE2 3.49Å; M572-F576 WeakPolarHBondContact O-CD2 3.4Å; M572-F576 PolarHBondContact O-N 2.99Å; M572-F576 HydrophobicContact SD-CE2 3.88Å |
| 573 | E | 78 | Confident | 82.4 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 174.8 | 161.8 | 144.6 | -108.8 | 0 | 0 | 111.5 | R227 F569 I570 M575 F576 D577 | R227-E573 IonicContact CZ-OE1 2.77Å; R227-E573 IonicContact NH1-OE1 2.66Å; R227-E573 PolarHBondContact NH1-OE1 3.08Å; F569-E573 VanDerWaalsContact O-CB 3.29Å; F569-E573 WeakPolarHBondContact O-CB 3.43Å; F569-E573 PolarHBondContact O-N 3.01Å; I570-E573 WeakPolarHBondContact O-CB 3.18Å; I570-E573 PolarHBondContact O-N 3.33Å; E573-M575 PolarHBondContact O-N 3.37Å; E573-F576 PolarHBondContact O-N 3.31Å; E573-D577 PolarHBondContact O-N 3.48Å |
| 574 | N | 82.6 | Confident | 82.7 | Confident | 65 Ų | 65 | 49.2 Ų | 49.2 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -36.2 | 175.4 | -65.1 | -33.7 | 0 | 0 | 0 | 112.8 | V383 I570 L578 | V383-N574 HydrophobicContact CG1-CB 3.9Å; V383-N574 WeakPolarHBondContact CG1-O 3.41Å; V383-N574 HydrophobicContact CG2-CB 4.47Å; I570-N574 PolarHBondContact O-N 3.29Å; I570-N574 PolarHBondContact O-ND2 3.4Å; N574-L578 PolarHBondContact O-N 3.32Å; N574-L578 VanDerWaalsContact O-N 3.12Å |
| 575 | M | 85.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 176 | -174.3 | -154.7 | 69.8 | 0 | 0 | 112 | L360 T388 I391 D571 M572 E573 L578 L579 | L360-M575 HydrophobicContact CD1-CG 3.67Å; L360-M575 HydrophobicContact CD1-SD 3.67Å; L360-M575 HydrophobicContact CD2-CG 3.93Å; L360-M575 HydrophobicContact CG-CG 4.44Å; T388-M575 HydrophobicContact CG2-SD 4.39Å; I391-M575 HydrophobicContact CD1-CE 3.67Å; I391-M575 HydrophobicContact CD1-SD 4.11Å; D571-M575 PolarHBondContact O-N 3.17Å; D571-M575 VanDerWaalsContact O-N 3.15Å; M572-M575 WeakPolarHBondContact O-CB 3.46Å; M572-M575 PolarHBondContact O-N 3.05Å; E573-M575 PolarHBondContact O-N 3.37Å; M575-L578 WeakPolarHBondContact O-CB 3.49Å; M575-L578 PolarHBondContact O-N 3.22Å; M575-L579 HydrophobicContact CE-CD1 4.06Å; M575-L579 PolarHBondContact O-N 3.4Å |
| 576 | F | 82.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 174.6 | -82.9 | -61.5 | 0 | 0 | 0 | 111.8 | R227 I230 V231 M572 E573 L578 L579 E580 | R227-F576 HydrophobicContact CB-CD2 3.87Å; R227-F576 HydrophobicContact CB-CE2 3.73Å; R227-F576 HydrophobicContact CB-CZ 4.37Å; R227-F576 HydrophobicContact CG-CD2 3.97Å; R227-F576 HydrophobicContact CG-CE2 4.29Å; R227-F576 HydrophobicContact CG-CG 4.29Å; R227-F576 WeakPolarHBondContact O-CZ 3.42Å; I230-F576 HydrophobicContact CB-CE1 4.13Å; I230-F576 HydrophobicContact CB-CZ 4.19Å; I230-F576 HydrophobicContact CD1-CE1 4.18Å; I230-F576 HydrophobicContact CG2-CE1 3.88Å; I230-F576 HydrophobicContact CG2-CZ 4.32Å; V231-F576 HydrophobicContact CG2-CE2 4.09Å; V231-F576 HydrophobicContact CG2-CZ 3.61Å; M572-F576 HydrophobicContact CE-CE2 4.4Å; M572-F576 HydrophobicContact CG-CD2 3.74Å; M572-F576 HydrophobicContact CG-CE2 3.49Å; M572-F576 VanDerWaalsContact CG-CE2 3.49Å; M572-F576 WeakPolarHBondContact O-CD2 3.4Å; M572-F576 PolarHBondContact O-N 2.99Å; M572-F576 HydrophobicContact SD-CE2 3.88Å; E573-F576 PolarHBondContact O-N 3.31Å; F576-L578 PolarHBondContact O-N 3.48Å; F576-L579 HydrophobicContact CD1-CD1 4.11Å; F576-L579 HydrophobicContact CE1-CD1 4.32Å; F576-L579 CarbonylContact O-C 3.54Å; F576-L579 PolarHBondContact O-N 3.19Å; F576-E580 WeakPolarHBondContact O-CB 3.35Å; F576-E580 VanDerWaalsContact O-CG 3.28Å; F576-E580 WeakPolarHBondContact O-CG 3.35Å; F576-E580 PolarHBondContact O-N 3.46Å |
| 577 | D | 82.5 | Confident | 83.3 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -33.1 | 175.1 | -60.4 | -10.5 | 0 | 0 | 0 | 111 | R227 E573 Q581 | R227-D577 IonicContact CZ-OD1 3.48Å; R227-D577 IonicContact NH1-OD1 3.91Å; R227-D577 PolarHBondContact NH1-OD1 3.01Å; R227-D577 IonicContact NH2-OD1 3.49Å; R227-D577 PolarHBondContact NH2-OD1 3.01Å; E573-D577 PolarHBondContact O-N 3.48Å; D577-Q581 PolarHBondContact O-N 3.21Å |
| 578 | L | 86 | Confident | 83.6 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70 | -38.1 | 171.7 | 179.7 | 61.5 | 0 | 0 | 0 | 113.1 | L360 H363 I364 L367 W371 V380 V383 N574 M575 F576 Q581 | L360-L578 HydrophobicContact CD2-CD2 4.5Å; H363-L578 PolarHBondContact NE2-O 3.04Å; H363-L578 VanDerWaalsContact NE2-O 3.11Å; I364-L578 HydrophobicContact CD1-CD2 4.02Å; I364-L578 HydrophobicContact CG1-CD2 4.13Å; L367-L578 HydrophobicContact CD1-CD1 4.28Å; W371-L578 HydrophobicContact CH2-CD1 3.67Å; W371-L578 HydrophobicContact CZ2-CD1 3.28Å; V380-L578 HydrophobicContact CG1-CD2 4.36Å; V383-L578 HydrophobicContact CG1-CD2 4.3Å; N574-L578 PolarHBondContact O-N 3.32Å; N574-L578 VanDerWaalsContact O-N 3.12Å; M575-L578 WeakPolarHBondContact O-CB 3.49Å; M575-L578 PolarHBondContact O-N 3.22Å; F576-L578 PolarHBondContact O-N 3.48Å; L578-Q581 WeakPolarHBondContact O-CB 3.47Å; L578-Q581 PolarHBondContact O-N 3.16Å |
| 579 | L | 85.1 | Confident | 83.4 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -73.2 | -30.6 | 177 | -77.1 | 167.5 | 0 | 0 | 0 | 113.5 | M359 L360 H363 M575 F576 Q581 | M359-L579 HydrophobicContact CE-CD1 3.98Å; M359-L579 HydrophobicContact CE-CD2 3.76Å; M359-L579 HydrophobicContact SD-CD2 3.5Å; M359-L579 VanDerWaalsContact SD-CD2 3.5Å; L360-L579 HydrophobicContact CD2-CD1 3.93Å; L360-L579 HydrophobicContact CD2-CD2 3.43Å; L360-L579 VanDerWaalsContact CD2-CD2 3.43Å; L360-L579 HydrophobicContact CD2-CG 3.43Å; L360-L579 VanDerWaalsContact CD2-CG 3.43Å; L360-L579 HydrophobicContact CG-CD2 4.07Å; L360-L579 HydrophobicContact CG-CG 4.38Å; H363-L579 HydrophobicContact CB-CD2 4.4Å; H363-L579 PolarHBondContact CE1-O 3.08Å; M575-L579 HydrophobicContact CE-CD1 4.06Å; M575-L579 PolarHBondContact O-N 3.4Å; F576-L579 HydrophobicContact CD1-CD1 4.11Å; F576-L579 HydrophobicContact CE1-CD1 4.32Å; F576-L579 CarbonylContact O-C 3.54Å; F576-L579 PolarHBondContact O-N 3.19Å; L579-Q581 PolarHBondContact O-N 2.97Å |
| 580 | E | 82.7 | Confident | 83.6 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -75.8 | -10.8 | 177 | -72 | 172.3 | -159.9 | 0 | 0 | 111.4 | R227 F576 E582 | R227-E580 IonicContact CZ-OE1 3.73Å; R227-E580 IonicContact NE-OE1 3.95Å; R227-E580 IonicContact NH2-OE1 3.68Å; R227-E580 PolarHBondContact NH2-OE1 3.31Å; R227-E580 IonicContact NH2-OE2 2.87Å; R227-E580 PolarHBondContact NH2-OE2 2.8Å; F576-E580 WeakPolarHBondContact O-CB 3.35Å; F576-E580 VanDerWaalsContact O-CG 3.28Å; F576-E580 WeakPolarHBondContact O-CG 3.35Å; F576-E580 PolarHBondContact O-N 3.46Å; E580-E582 PolarHBondContact O-N 2.93Å |
| 581 | Q | 85.5 | Confident | 84.1 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 117.4 | 174.8 | -174.9 | 67.1 | 29.2 | 0 | 0 | 110.8 | H363 L367 W371 D577 L578 L579 | H363-Q581 PolarHBondContact CE1-O 3.31Å; H363-Q581 PolarHBondContact NE2-O 3.17Å; L367-Q581 HydrophobicContact CD1-CG 4.27Å; L367-Q581 HydrophobicContact CD2-CB 4.16Å; L367-Q581 HydrophobicContact CD2-CG 3.77Å; L367-Q581 WeakPolarHBondContact CD2-O 3.47Å; W371-Q581 HydrophobicContact CG-CG 4.5Å; D577-Q581 PolarHBondContact O-N 3.21Å; L578-Q581 WeakPolarHBondContact O-CB 3.47Å; L578-Q581 PolarHBondContact O-N 3.16Å; L579-Q581 PolarHBondContact O-N 2.97Å |
| 582 | E | 81.5 | Confident | 84.4 | Confident | 162 Ų | 162 | 65.5 Ų | 65.5 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 151.1 | 173.6 | -62 | -174.6 | 168.2 | 0 | 0 | 111.2 | E580 | E580-E582 PolarHBondContact O-N 2.93Š|
| 583 | S | 83.6 | Confident | 84.9 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 20% | 0.203 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 130.4 | 171.3 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | V585 | S583-V585 PolarHBondContact O-N 3.33Å; S583-V585 VanDerWaalsContact O-N 3.16Å; S583-V585 PolarHBondContact OG-N 3.31Å; S583-V585 PolarHBondContact OG-O 3.04Å |
| 584 | D | 82.5 | Confident | 85.5 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -58.8 | -26.5 | 174.2 | -58.6 | -44.9 | 0 | 0 | 0 | 112.6 | S368 | S368-D584 WeakPolarHBondContact CB-OD2 3.14Å; S368-D584 PolarHBondContact OG-OD2 3.48Å |
| 585 | V | 85.3 | Confident | 85.9 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -127.6 | 109.8 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 109 | S583 R649 Q670 | S583-V585 PolarHBondContact O-N 3.33Å; S583-V585 VanDerWaalsContact O-N 3.16Å; S583-V585 PolarHBondContact OG-N 3.31Å; S583-V585 PolarHBondContact OG-O 3.04Å; V585-R649 HydrophobicContact CG1-CG 4.17Å; V585-Q670 PolarHBondContact O-NE2 2.85Å |
| 586 | T | 86 | Confident | 86 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | trans | -117.6 | 144 | 175.9 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | R649 | T586-R649 PolarHBondContact O-NH2 3.36Š| ||
| 587 | D | 88.6 | Confident | 86.2 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 31% | 0.305 | 43% | 0.428 | S | S | . | . | trans | -65.8 | 141.7 | 170.2 | -69.4 | -9 | 0 | 0 | 0 | 109.6 | A591 R649 T669 Q670 | D587-A591 HydrophobicContact CB-CB 4.27Å; D587-R649 IonicContact OD1-NH1 3.97Å; D587-T669 WeakPolarHBondContact OD2-CA 3.45Å; D587-Q670 WeakPolarHBondContact OD1-CG 3.44Å; D587-Q670 PolarHBondContact OD1-N 3.32Å; D587-Q670 VanDerWaalsContact OD1-N 3.13Å; D587-Q670 PolarHBondContact OD1-NE2 3.5Å; D587-Q670 PolarHBondContact OD2-N 3.37Å; D587-Q670 VanDerWaalsContact OD2-N 3.09Å | ||
| 588 | A | 86 | Confident | 86.4 | Confident | 51 Ų | 51 | 80 Ų | 80 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | trans | -61.1 | 146.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | N590 A591 | A588-N590 PolarHBondContact O-N 3.46Å; A588-A591 HydrophobicContact CB-CB 4.24Å; A588-A591 WeakPolarHBondContact O-CB 3.29Å; A588-A591 PolarHBondContact O-N 2.87Å | ||
| 589 | P | 82.3 | Confident | 86.5 | Confident | 134 Ų | 134 | 79.2 Ų | 79.2 | 87% | 0.87 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.4 | -174.7 | 20 | -32 | 0 | 0 | 0 | 114.1 | ||
| 590 | N | 84.6 | Confident | 86.9 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 80% | 0.802 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 24.7 | 176.2 | -66.1 | -25.5 | 0 | 0 | 0 | 112.7 | A588 Q592 | A588-N590 PolarHBondContact O-N 3.46Å; N590-Q592 PolarHBondContact O-N 3.21Å |
| 591 | A | 88.2 | Confident | 87.6 | Confident | 21 Ų | 21 | 73 Ų | 73 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 129.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D587 A588 S667 T669 | D587-A591 HydrophobicContact CB-CB 4.27Å; A588-A591 HydrophobicContact CB-CB 4.24Å; A588-A591 WeakPolarHBondContact O-CB 3.29Å; A588-A591 PolarHBondContact O-N 2.87Å; A591-S667 WeakPolarHBondContact CA-O 3.36Å; A591-S667 WeakPolarHBondContact CB-O 3.49Å; A591-T669 HydrophobicContact CB-CG2 3.91Å; A591-T669 WeakPolarHBondContact O-CG2 3.4Å |
| 592 | Q | 91 | Very high | 88.1 | Confident | 144 Ų | 144 | 72.2 Ų | 72.2 | 67% | 0.673 | 40% | 0.398 | S | S | * | . | B | Isolated β-bridge | trans | -83.9 | 160.1 | 179.9 | -65.4 | -173.4 | -11.7 | 0 | 0 | 110.9 | N590 S667 V668 T669 | N590-Q592 PolarHBondContact O-N 3.21Å; Q592-S667 PolarHBondContact N-O 3.44Å; Q592-V668 CarbonylContact O-C 3.04Å; Q592-V668 WeakPolarHBondContact O-CA 3.48Å; Q592-V668 WeakPolarHBondContact O-CB 3.29Å; Q592-T669 PolarHBondContact O-N 3.32Å |
| 593 | A | 93.1 | Very high | 88.8 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 136.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | I595 | A593-I595 PolarHBondContact O-N 3.29Š|
| 594 | L | 91.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 121.1 | 175.4 | -179.4 | 69.5 | 0 | 0 | 0 | 109.9 | V596 I660 Q663 V668 S672 L673 | L594-V596 HydrophobicContact CD2-CG2 3.61Å; L594-V596 HydrophobicContact CG-CG2 3.75Å; L594-I660 HydrophobicContact CD1-CB 4.21Å; L594-I660 HydrophobicContact CD1-CG2 4.4Å; L594-I660 HydrophobicContact CD2-CB 4.49Å; L594-I660 HydrophobicContact CD2-CD1 4.09Å; L594-I660 HydrophobicContact CD2-CG2 4.27Å; L594-Q663 HydrophobicContact CD1-CB 4.08Å; L594-V668 HydrophobicContact CB-CB 4.11Å; L594-V668 HydrophobicContact CB-CG1 4.16Å; L594-V668 HydrophobicContact CB-CG2 4.14Å; L594-V668 HydrophobicContact CD1-CG1 4.02Å; L594-V668 HydrophobicContact CD1-CG2 4.36Å; L594-S672 PolarHBondContact N-OG 3.42Å; L594-L673 HydrophobicContact CD2-CB 4.46Å; L594-L673 HydrophobicContact CD2-CD1 3.86Å |
| 595 | I | 90.7 | Very high | 90.1 | Very high | 104 Ų | 104 | 65.5 Ų | 65.5 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | trans | -96 | 102.1 | 175.1 | -59.4 | 169.5 | 0 | 0 | 0 | 107.9 | A593 K597 Q663 | A593-I595 PolarHBondContact O-N 3.29Å; I595-K597 HydrophobicContact CG2-CG 4.42Å; I595-Q663 PolarHBondContact O-NE2 2.88Å | ||
| 596 | V | 87.5 | Confident | 90.6 | Very high | 41 Ų | 41 | 65 Ų | 65 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | trans | -90.7 | 118.2 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | L594 I660 T757 | L594-V596 HydrophobicContact CD2-CG2 3.61Å; L594-V596 HydrophobicContact CG-CG2 3.75Å; V596-I660 HydrophobicContact CG2-CG2 4.46Å; V596-T757 HydrophobicContact CG1-CG2 3.75Å | ||
| 597 | K | 86.5 | Confident | 91 | Very high | 182 Ų | 182 | 61.7 Ų | 61.7 | 79% | 0.791 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -103.2 | -54.7 | 175.3 | -66.2 | -178 | -178.8 | 177.6 | 0 | 110.8 | I595 D661 | I595-K597 HydrophobicContact CG2-CG 4.42Å; K597-D661 PolarHBondContact N-OD2 2.96Å |
| 598 | E | 85.8 | Confident | 91.3 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -115 | -23.6 | -174.4 | -58.5 | -161.9 | 138.8 | 0 | 0 | 112.1 | K626 D661 | E598-K626 HydrophobicContact CB-CB 4.06Å; E598-K626 HydrophobicContact CB-CD 3.98Å; E598-K626 HydrophobicContact CG-CD 4.13Å; E598-K626 WeakPolarHBondContact O-CB 3.29Å; E598-K626 IonicContact OE1-NZ 3.96Å; E598-K626 PolarHBondContact OE1-NZ 3Å; E598-K626 IonicContact OE2-NZ 3.74Å; E598-D661 PolarHBondContact N-OD2 3.45Å |
| 599 | G | 88.6 | Confident | 91.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | 73.6 | 28.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D661 T788 | G599-D661 VanDerWaalsContact N-CG 3.34Å; G599-D661 PolarHBondContact N-OD1 3.17Å; G599-D661 PolarHBondContact N-OD2 2.81Å; G599-T788 WeakPolarHBondContact O-CB 3.42Å; G599-T788 WeakPolarHBondContact O-CG2 3.2Å; G599-T788 PolarHBondContact O-OG1 3.24Å | ||
| 600 | A | 94 | Very high | 91.9 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | trans | -72.3 | 133.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | I624 I660 D661 | A600-I624 WeakPolarHBondContact CA-O 3.3Å; A600-I660 CarbonylContact O-C 3.52Å; A600-I660 VanDerWaalsContact O-CA 3.31Å; A600-I660 WeakPolarHBondContact O-CA 3.37Å; A600-D661 PolarHBondContact N-OD1 3.39Å; A600-D661 PolarHBondContact O-N 3.22Å | ||
| 601 | V | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.6 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | F603 K623 I624 L647 L659 I660 I758 T788 | V601-F603 HydrophobicContact CG1-CD2 4.04Å; V601-F603 HydrophobicContact CG1-CE2 3.67Å; V601-K623 CarbonylContact O-C 3.42Å; V601-K623 WeakPolarHBondContact O-CA 3.44Å; V601-I624 HydrophobicContact CB-CB 4.23Å; V601-I624 HydrophobicContact CB-CD1 4.21Å; V601-I624 HydrophobicContact CB-CG1 4.3Å; V601-I624 PolarHBondContact N-O 2.93Å; V601-I624 PolarHBondContact O-N 2.65Å; V601-L647 HydrophobicContact CG1-CD1 3.77Å; V601-L659 WeakPolarHBondContact CA-O 3.26Å; V601-I660 HydrophobicContact CG2-CG1 4.44Å; V601-I758 HydrophobicContact CG2-CD1 3.7Å; V601-I758 HydrophobicContact CG2-CG1 4.09Å; V601-I758 HydrophobicContact CG2-CG2 4.02Å; V601-T788 HydrophobicContact CG2-CG2 4.1Å |
| 602 | E | 96.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.6 | -179.1 | -175.2 | 174.3 | 139.1 | 0 | 0 | 109.9 | N604 K623 I658 L659 | E602-N604 WeakPolarHBondContact CG-OD1 3.38Å; E602-N604 PolarHBondContact OE1-ND2 3.06Å; E602-N604 PolarHBondContact OE1-OD1 2.69Å; E602-K623 HydrophobicContact CB-CG 4.34Å; E602-K623 HydrophobicContact CG-CB 4.49Å; E602-K623 HydrophobicContact CG-CG 4.46Å; E602-K623 WeakPolarHBondContact OE2-CE 3.39Å; E602-K623 IonicContact OE2-NZ 2.78Å; E602-K623 PolarHBondContact OE2-NZ 3.48Å; E602-I658 CarbonylContact O-C 3.58Å; E602-I658 WeakPolarHBondContact O-CA 3.31Å; E602-L659 HydrophobicContact CB-CB 4.23Å; E602-L659 PolarHBondContact N-O 3.12Å; E602-L659 PolarHBondContact O-N 3.13Å |
| 603 | F | 97.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122.1 | 172.2 | -78 | -112.8 | 0 | 0 | 0 | 107.2 | V601 V606 S621 F622 I643 L647 I658 | V601-F603 HydrophobicContact CG1-CD2 4.04Å; V601-F603 HydrophobicContact CG1-CE2 3.67Å; F603-V606 HydrophobicContact CB-CG2 4.19Å; F603-V606 HydrophobicContact CD1-CB 4.3Å; F603-V606 HydrophobicContact CD1-CG2 3.89Å; F603-V606 HydrophobicContact CG-CG2 4.45Å; F603-S621 CarbonylContact O-C 3.6Å; F603-S621 WeakPolarHBondContact O-CA 3.46Å; F603-F622 HydrophobicContact CB-CD1 3.84Å; F603-F622 HydrophobicContact CB-CE1 3.74Å; F603-F622 HydrophobicContact CB-CG 4.45Å; F603-F622 HydrophobicContact CB-CZ 4.28Å; F603-F622 AromaticContact CD1-CE1 3.9Å; F603-F622 HydrophobicContact CD1-CE1 3.9Å; F603-F622 HydrophobicContact CD1-CZ 4.2Å; F603-F622 HydrophobicContact CD2-CD1 4.37Å; F603-F622 HydrophobicContact CD2-CD2 4.47Å; F603-F622 AromaticContact CD2-CE1 3.64Å; F603-F622 HydrophobicContact CD2-CE1 3.64Å; F603-F622 AromaticContact CD2-CE2 3.76Å; F603-F622 HydrophobicContact CD2-CE2 3.76Å; F603-F622 AromaticContact CD2-CZ 3.28Å; F603-F622 HydrophobicContact CD2-CZ 3.28Å; F603-F622 HydrophobicContact CE1-CE1 4.44Å; F603-F622 HydrophobicContact CE1-CZ 4.41Å; F603-F622 HydrophobicContact CE2-CE1 4.21Å; F603-F622 HydrophobicContact CE2-CE2 4.12Å; F603-F622 AromaticContact CE2-CZ 3.54Å; F603-F622 HydrophobicContact CE2-CZ 3.54Å; F603-F622 HydrophobicContact CG-CD1 4.11Å; F603-F622 AromaticContact CG-CE1 3.48Å; F603-F622 HydrophobicContact CG-CE1 3.48Å; F603-F622 VanDerWaalsContact CG-CE1 3.48Å; F603-F622 HydrophobicContact CG-CE2 4.42Å; F603-F622 AromaticContact CG-CZ 3.67Å; F603-F622 HydrophobicContact CG-CZ 3.67Å; F603-F622 HydrophobicContact CZ-CZ 4.12Å; F603-F622 PolarHBondContact N-O 2.71Å; F603-F622 PolarHBondContact O-N 3.43Å; F603-I643 HydrophobicContact CE1-CG2 3.82Å; F603-I643 HydrophobicContact CE2-CG2 4.39Å; F603-I643 HydrophobicContact CZ-CG2 3.65Å; F603-L647 HydrophobicContact CE2-CD1 4.3Å; F603-L647 HydrophobicContact CZ-CB 4.31Å; F603-L647 HydrophobicContact CZ-CD1 4.37Å; F603-I658 HydrophobicContact CD1-CD1 3.92Å; F603-I658 HydrophobicContact CD1-CG1 3.71Å; F603-I658 HydrophobicContact CD2-CG2 4.31Å; F603-I658 HydrophobicContact CE1-CD1 3.37Å; F603-I658 HydrophobicContact CE1-CG1 3.67Å; F603-I658 HydrophobicContact CE1-CG2 4.47Å; F603-I658 HydrophobicContact CE2-CG2 4.02Å; F603-I658 HydrophobicContact CG-CG1 4.2Å; F603-I658 HydrophobicContact CZ-CD1 3.83Å; F603-I658 HydrophobicContact CZ-CG1 4.14Å; F603-I658 HydrophobicContact CZ-CG2 4.09Å |
| 604 | N | 96 | Very high | 91.6 | Very high | 45 Ų | 45 | 65.6 Ų | 65.6 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 105.3 | -178.4 | -74.6 | -21.9 | 0 | 0 | 0 | 110.5 | E602 V606 G656 E657 L659 | E602-N604 WeakPolarHBondContact CG-OD1 3.38Å; E602-N604 PolarHBondContact OE1-ND2 3.06Å; E602-N604 PolarHBondContact OE1-OD1 2.69Å; N604-V606 VanDerWaalsContact C-N 3.27Å; N604-V606 PolarHBondContact O-N 3.4Å; N604-G656 CarbonylContact O-C 3.47Å; N604-G656 WeakPolarHBondContact O-CA 3.16Å; N604-E657 HydrophobicContact CB-CG 4.04Å; N604-E657 PolarHBondContact N-O 2.8Å; N604-E657 PolarHBondContact O-N 2.61Å; N604-L659 WeakPolarHBondContact ND2-CD1 3.39Å |
| 605 | N | 95.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 44.1 | 174.1 | -62.7 | -26.7 | 0 | 0 | 0 | 112.8 | C607 N619 S621 G656 | N605-C607 PolarHBondContact O-N 2.88Å; N605-N619 WeakPolarHBondContact CA-OD1 3.41Å; N605-N619 WeakPolarHBondContact CB-OD1 3.24Å; N605-N619 PolarHBondContact OD1-OD1 3.23Å; N605-S621 VanDerWaalsContact CA-OG 3.28Å; N605-S621 WeakPolarHBondContact CA-OG 3.17Å; N605-S621 PolarHBondContact N-OG 3.47Å; N605-S621 PolarHBondContact OD1-OG 3.39Å; N605-G656 WeakPolarHBondContact O-CA 3.47Å |
| 606 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.4 | -171.3 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | F603 N604 N619 V620 L646 T653 E655 I658 | F603-V606 HydrophobicContact CB-CG2 4.19Å; F603-V606 HydrophobicContact CD1-CB 4.3Å; F603-V606 HydrophobicContact CD1-CG2 3.89Å; F603-V606 HydrophobicContact CG-CG2 4.45Å; N604-V606 VanDerWaalsContact C-N 3.27Å; N604-V606 PolarHBondContact O-N 3.4Å; V606-N619 PolarHBondContact O-N 2.86Å; V606-V620 PolarHBondContact N-O 3.26Å; V606-V620 PolarHBondContact O-N 3.02Å; V606-L646 HydrophobicContact CG1-CD1 4.15Å; V606-T653 HydrophobicContact CG1-CG2 3.54Å; V606-T653 HydrophobicContact CG2-CG2 4.29Å; V606-E655 WeakPolarHBondContact CA-O 3.49Å; V606-I658 HydrophobicContact CG2-CG1 3.9Å |
| 607 | C | 94.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 63 Ų | 63 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.7 | 169 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | N605 L617 N619 T654 E655 | N605-C607 PolarHBondContact O-N 2.88Å; C607-L617 WeakPolarHBondContact CA-O 3.48Å; C607-N619 PolarHBondContact SG-N 3.37Å; C607-T654 WeakPolarHBondContact O-CB 3.24Å; C607-T654 PolarHBondContact O-N 3.24Å; C607-E655 HydrophobicContact CB-CB 3.94Å; C607-E655 HydrophobicContact CB-CG 4.4Å; C607-E655 PolarHBondContact N-O 3.2Å; C607-E655 PolarHBondContact O-N 3.46Å |
| 608 | F | 95.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 143.7 | 178.3 | -179 | -97.8 | 0 | 0 | 0 | 113.4 | Y610 I616 L617 T642 L646 Y651 D652 | F608-Y610 AromaticContact CE1-CD1 3.54Å; F608-Y610 HydrophobicContact CE1-CD1 3.54Å; F608-Y610 HydrophobicContact CE1-CD2 4.4Å; F608-Y610 AromaticContact CE1-CE1 3.41Å; F608-Y610 HydrophobicContact CE1-CE1 3.41Å; F608-Y610 VanDerWaalsContact CE1-CE1 3.41Å; F608-Y610 HydrophobicContact CE1-CE2 4.31Å; F608-Y610 HydrophobicContact CE1-CG 4.01Å; F608-Y610 AromaticContact CE1-CZ 3.82Å; F608-Y610 AromaticContact CZ-CD1 3.59Å; F608-Y610 HydrophobicContact CZ-CD1 3.59Å; F608-Y610 AromaticContact CZ-CE1 3.62Å; F608-Y610 HydrophobicContact CZ-CE1 3.62Å; F608-Y610 HydrophobicContact CZ-CG 4.39Å; F608-I616 PolarHBondContact O-N 2.79Å; F608-L617 HydrophobicContact CB-CB 4.34Å; F608-L617 HydrophobicContact CB-CD1 4.43Å; F608-L617 PolarHBondContact N-O 2.9Å; F608-L617 PolarHBondContact O-N 3.28Å; F608-L617 VanDerWaalsContact O-N 3.08Å; F608-T642 HydrophobicContact CD1-CG2 3.43Å; F608-T642 VanDerWaalsContact CD1-CG2 3.43Å; F608-T642 HydrophobicContact CE1-CG2 3.75Å; F608-T642 HydrophobicContact CG-CG2 4.44Å; F608-L646 HydrophobicContact CB-CD1 3.95Å; F608-L646 HydrophobicContact CD1-CD1 4.42Å; F608-L646 HydrophobicContact CD2-CD2 3.74Å; F608-L646 HydrophobicContact CE2-CD2 4.05Å; F608-L646 HydrophobicContact CG-CD1 4.06Å; F608-L646 HydrophobicContact CG-CD2 3.98Å; F608-L646 HydrophobicContact CG-CG 4.47Å; F608-Y651 HydrophobicContact CE2-CD1 4.29Å; F608-Y651 HydrophobicContact CE2-CG 4.17Å; F608-Y651 AromaticContact CZ-CD1 3.75Å; F608-Y651 HydrophobicContact CZ-CD1 3.75Å; F608-Y651 HydrophobicContact CZ-CD2 4.47Å; F608-Y651 AromaticContact CZ-CG 3.7Å; F608-Y651 HydrophobicContact CZ-CG 3.7Å; F608-D652 WeakPolarHBondContact CD2-O 3.34Å; F608-D652 WeakPolarHBondContact CE2-O 3.29Å |
| 609 | F | 92.6 | Very high | 92.8 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.9 | 171.8 | 58.2 | -106.2 | 0 | 0 | 0 | 111.3 | N611 P612 T654 | F609-N611 WeakPolarHBondContact CB-O 3.24Å; F609-P612 HydrophobicContact CD2-CB 4.43Å; F609-P612 HydrophobicContact CD2-CG 4.23Å; F609-P612 HydrophobicContact CE2-CB 4.13Å; F609-P612 HydrophobicContact CE2-CG 3.74Å; F609-P612 HydrophobicContact CZ-CB 4.46Å; F609-P612 HydrophobicContact CZ-CG 4.36Å; F609-T654 HydrophobicContact CD1-CG2 4.19Å; F609-T654 HydrophobicContact CE1-CG2 3.48Å; F609-T654 VanDerWaalsContact CE1-CG2 3.48Å; F609-T654 HydrophobicContact CZ-CG2 4.01Å |
| 610 | Y | 89.5 | Confident | 93.1 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -41.1 | 167.5 | -68.7 | -57.1 | 0 | 0 | 0 | 111.4 | F608 I616 T642 R645 Y651 | F608-Y610 AromaticContact CE1-CD1 3.54Å; F608-Y610 HydrophobicContact CE1-CD1 3.54Å; F608-Y610 HydrophobicContact CE1-CD2 4.4Å; F608-Y610 AromaticContact CE1-CE1 3.41Å; F608-Y610 HydrophobicContact CE1-CE1 3.41Å; F608-Y610 VanDerWaalsContact CE1-CE1 3.41Å; F608-Y610 HydrophobicContact CE1-CE2 4.31Å; F608-Y610 HydrophobicContact CE1-CG 4.01Å; F608-Y610 AromaticContact CE1-CZ 3.82Å; F608-Y610 AromaticContact CZ-CD1 3.59Å; F608-Y610 HydrophobicContact CZ-CD1 3.59Å; F608-Y610 AromaticContact CZ-CE1 3.62Å; F608-Y610 HydrophobicContact CZ-CE1 3.62Å; F608-Y610 HydrophobicContact CZ-CG 4.39Å; Y610-I616 HydrophobicContact CD2-CD1 3.22Å; Y610-I616 HydrophobicContact CE2-CD1 3.47Å; Y610-I616 VanDerWaalsContact CE2-CD1 3.47Å; Y610-I616 HydrophobicContact CG-CD1 4.26Å; Y610-T642 PolarHBondContact OH-OG1 3.07Å; Y610-R645 WeakPolarHBondContact OH-CD 3.39Å; Y610-R645 PolarHBondContact OH-NH1 3.09Å; Y610-R645 VanDerWaalsContact OH-NH1 3.09Å; Y610-Y651 HydrophobicContact CD1-CD1 4.09Å; Y610-Y651 AromaticContact CD1-CE1 3.65Å; Y610-Y651 HydrophobicContact CD1-CE1 3.65Å; Y610-Y651 HydrophobicContact CD1-CE2 4.44Å; Y610-Y651 AromaticContact CD1-CZ 3.88Å; Y610-Y651 AromaticContact CE1-CD1 3.95Å; Y610-Y651 HydrophobicContact CE1-CD1 3.95Å; Y610-Y651 AromaticContact CE1-CD2 3.87Å; Y610-Y651 HydrophobicContact CE1-CD2 3.87Å; Y610-Y651 AromaticContact CE1-CE1 3.57Å; Y610-Y651 HydrophobicContact CE1-CE1 3.57Å; Y610-Y651 AromaticContact CE1-CE2 3.54Å; Y610-Y651 HydrophobicContact CE1-CE2 3.54Å; Y610-Y651 HydrophobicContact CE1-CG 4.08Å; Y610-Y651 AromaticContact CE1-CZ 3.39Å |
| 611 | N | 87.3 | Confident | 93.1 | Very high | 97 Ų | 97 | 58.2 Ų | 58.2 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.4 | 174.5 | -70.4 | -10.8 | 0 | 0 | 0 | 107.9 | F609 E613 R614 | F609-N611 WeakPolarHBondContact CB-O 3.24Å; N611-E613 PolarHBondContact O-N 3.19Å; N611-R614 CarbonylContact O-C 3.57Å; N611-R614 PolarHBondContact O-N 3.22Å |
| 612 | P | 85.3 | Confident | 93.2 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.4 | -178.3 | -26.6 | 33.1 | 0 | 0 | 0 | 114.3 | F609 R614 | F609-P612 HydrophobicContact CD2-CB 4.43Å; F609-P612 HydrophobicContact CD2-CG 4.23Å; F609-P612 HydrophobicContact CE2-CB 4.13Å; F609-P612 HydrophobicContact CE2-CG 3.74Å; F609-P612 HydrophobicContact CZ-CB 4.46Å; F609-P612 HydrophobicContact CZ-CG 4.36Å; P612-R614 PolarHBondContact O-N 2.95Å |
| 613 | E | 88.8 | Confident | 93.1 | Very high | 188 Ų | 188 | 61.6 Ų | 61.6 | 88% | 0.879 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.4 | 179.7 | -61.7 | 175.8 | -178.7 | 0 | 0 | 113.9 | N611 | N611-E613 PolarHBondContact O-N 3.19Š|
| 614 | R | 89.1 | Confident | 93.1 | Very high | 176 Ų | 176 | 61.5 Ų | 61.5 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 90.3 | -176.2 | -168.7 | 177.1 | 179.9 | -176.8 | 0.9 | 111.4 | N611 P612 I616 | N611-R614 CarbonylContact O-C 3.57Å; N611-R614 PolarHBondContact O-N 3.22Å; P612-R614 PolarHBondContact O-N 2.95Å; R614-I616 PolarHBondContact O-N 3.49Å |
| 615 | P | 91.1 | Very high | 93 | Very high | 72 Ų | 72 | 61.7 Ų | 61.7 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.9 | 169.9 | 27 | -33.2 | 0 | 0 | 0 | 110.6 | K618 | P615-K618 HydrophobicContact CB-CG 4.46Å |
| 616 | I | 93.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -40.9 | -179.5 | -64.1 | -171.1 | 0 | 0 | 0 | 111.5 | F608 Y610 R614 T642 G811 | F608-I616 PolarHBondContact O-N 2.79Å; Y610-I616 HydrophobicContact CD2-CD1 3.22Å; Y610-I616 HydrophobicContact CE2-CD1 3.47Å; Y610-I616 VanDerWaalsContact CE2-CD1 3.47Å; Y610-I616 HydrophobicContact CG-CD1 4.26Å; R614-I616 PolarHBondContact O-N 3.49Å; I616-T642 HydrophobicContact CG2-CG2 4.09Å; I616-G811 WeakPolarHBondContact O-CA 3.37Å |
| 617 | L | 94.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.8 | 173.9 | -58.6 | 179.5 | 0 | 0 | 0 | 108.4 | C607 F608 V620 T642 I643 L646 L808 | C607-L617 WeakPolarHBondContact CA-O 3.48Å; F608-L617 HydrophobicContact CB-CB 4.34Å; F608-L617 HydrophobicContact CB-CD1 4.43Å; F608-L617 PolarHBondContact N-O 2.9Å; F608-L617 PolarHBondContact O-N 3.28Å; F608-L617 VanDerWaalsContact O-N 3.08Å; L617-V620 HydrophobicContact CB-CG2 4.05Å; L617-V620 HydrophobicContact CD2-CG2 4.19Å; L617-T642 HydrophobicContact CD1-CG2 4.12Å; L617-T642 HydrophobicContact CG-CG2 4.29Å; L617-I643 HydrophobicContact CD1-CG1 3.81Å; L617-I643 HydrophobicContact CD2-CD1 4.37Å; L617-I643 HydrophobicContact CD2-CG1 4.05Å; L617-L646 HydrophobicContact CD1-CD1 3.47Å; L617-L646 VanDerWaalsContact CD1-CD1 3.47Å; L617-L808 HydrophobicContact CD2-CD2 4.29Å |
| 618 | K | 93.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 106.4 | -179.7 | -57.1 | 169 | -173 | 158 | 0 | 107.6 | P615 V620 E810 G811 E812 | P615-K618 HydrophobicContact CB-CG 4.46Å; K618-V620 PolarHBondContact O-N 3.46Å; K618-E810 WeakPolarHBondContact CE-O 3.28Å; K618-E810 PolarHBondContact NZ-O 2.8Å; K618-G811 PolarHBondContact N-O 3.14Å; K618-E812 HydrophobicContact CB-CG 3.72Å; K618-E812 HydrophobicContact CD-CG 4.12Å; K618-E812 VanDerWaalsContact CD-OE1 3.26Å; K618-E812 WeakPolarHBondContact CD-OE1 3.39Å |
| 619 | N | 93.1 | Very high | 92.4 | Very high | 99 Ų | 99 | 67 Ų | 67 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 49.3 | 173.2 | -164.3 | 21.4 | 0 | 0 | 0 | 114.7 | N605 V606 C607 | N605-N619 WeakPolarHBondContact CA-OD1 3.41Å; N605-N619 WeakPolarHBondContact CB-OD1 3.24Å; N605-N619 PolarHBondContact OD1-OD1 3.23Å; V606-N619 PolarHBondContact O-N 2.86Å; C607-N619 PolarHBondContact SG-N 3.37Å |
| 620 | V | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 121.5 | -176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V606 L617 K618 F622 I643 G811 I813 | V606-V620 PolarHBondContact N-O 3.26Å; V606-V620 PolarHBondContact O-N 3.02Å; L617-V620 HydrophobicContact CB-CG2 4.05Å; L617-V620 HydrophobicContact CD2-CG2 4.19Å; K618-V620 PolarHBondContact O-N 3.46Å; V620-F622 HydrophobicContact CG1-CD1 3.83Å; V620-F622 HydrophobicContact CG1-CE1 3.87Å; V620-I643 HydrophobicContact CG1-CD1 4.49Å; V620-G811 WeakPolarHBondContact CG2-O 3.4Å; V620-I813 HydrophobicContact CG1-CD1 3.75Å; V620-I813 HydrophobicContact CG1-CG1 4.12Å |
| 621 | S | 95.5 | Very high | 92.8 | Very high | 31 Ų | 31 | 61 Ų | 61 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 120.3 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | F603 N605 | F603-S621 CarbonylContact O-C 3.6Å; F603-S621 WeakPolarHBondContact O-CA 3.46Å; N605-S621 VanDerWaalsContact CA-OG 3.28Å; N605-S621 WeakPolarHBondContact CA-OG 3.17Å; N605-S621 PolarHBondContact N-OG 3.47Å; N605-S621 PolarHBondContact OD1-OG 3.39Å |
| 622 | F | 96.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 163.9 | 176 | 67.8 | -85.5 | 0 | 0 | 0 | 111.7 | F603 V620 I624 I643 L806 I813 | F603-F622 HydrophobicContact CB-CD1 3.84Å; F603-F622 HydrophobicContact CB-CE1 3.74Å; F603-F622 HydrophobicContact CB-CG 4.45Å; F603-F622 HydrophobicContact CB-CZ 4.28Å; F603-F622 AromaticContact CD1-CE1 3.9Å; F603-F622 HydrophobicContact CD1-CE1 3.9Å; F603-F622 HydrophobicContact CD1-CZ 4.2Å; F603-F622 HydrophobicContact CD2-CD1 4.37Å; F603-F622 HydrophobicContact CD2-CD2 4.47Å; F603-F622 AromaticContact CD2-CE1 3.64Å; F603-F622 HydrophobicContact CD2-CE1 3.64Å; F603-F622 AromaticContact CD2-CE2 3.76Å; F603-F622 HydrophobicContact CD2-CE2 3.76Å; F603-F622 AromaticContact CD2-CZ 3.28Å; F603-F622 HydrophobicContact CD2-CZ 3.28Å; F603-F622 HydrophobicContact CE1-CE1 4.44Å; F603-F622 HydrophobicContact CE1-CZ 4.41Å; F603-F622 HydrophobicContact CE2-CE1 4.21Å; F603-F622 HydrophobicContact CE2-CE2 4.12Å; F603-F622 AromaticContact CE2-CZ 3.54Å; F603-F622 HydrophobicContact CE2-CZ 3.54Å; F603-F622 HydrophobicContact CG-CD1 4.11Å; F603-F622 AromaticContact CG-CE1 3.48Å; F603-F622 HydrophobicContact CG-CE1 3.48Å; F603-F622 VanDerWaalsContact CG-CE1 3.48Å; F603-F622 HydrophobicContact CG-CE2 4.42Å; F603-F622 AromaticContact CG-CZ 3.67Å; F603-F622 HydrophobicContact CG-CZ 3.67Å; F603-F622 HydrophobicContact CZ-CZ 4.12Å; F603-F622 PolarHBondContact N-O 2.71Å; F603-F622 PolarHBondContact O-N 3.43Å; V620-F622 HydrophobicContact CG1-CD1 3.83Å; V620-F622 HydrophobicContact CG1-CE1 3.87Å; F622-I624 HydrophobicContact CD2-CG1 4.13Å; F622-I624 HydrophobicContact CE2-CD1 4.06Å; F622-I624 HydrophobicContact CE2-CG1 3.9Å; F622-I643 HydrophobicContact CE1-CD1 4.42Å; F622-I643 HydrophobicContact CE1-CG2 4.44Å; F622-I643 HydrophobicContact CZ-CG2 4.04Å; F622-L806 HydrophobicContact CB-CD1 3.6Å; F622-L806 HydrophobicContact CD1-CD1 4.1Å; F622-L806 HydrophobicContact CD2-CD1 3.61Å; F622-L806 HydrophobicContact CE2-CD1 4.28Å; F622-L806 HydrophobicContact CG-CD1 3.49Å; F622-L806 VanDerWaalsContact CG-CD1 3.49Å; F622-I813 HydrophobicContact CB-CD1 4.06Å; F622-I813 HydrophobicContact CD1-CD1 3.77Å; F622-I813 HydrophobicContact CG-CD1 4.28Å |
| 623 | K | 95.8 | Very high | 93.4 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.5 | 180 | -174.1 | 171.2 | -172.2 | 141.9 | 0 | 110.5 | V601 E602 P625 | V601-K623 CarbonylContact O-C 3.42Å; V601-K623 WeakPolarHBondContact O-CA 3.44Å; E602-K623 HydrophobicContact CB-CG 4.34Å; E602-K623 HydrophobicContact CG-CB 4.49Å; E602-K623 HydrophobicContact CG-CG 4.46Å; E602-K623 WeakPolarHBondContact OE2-CE 3.39Å; E602-K623 IonicContact OE2-NZ 2.78Å; E602-K623 PolarHBondContact OE2-NZ 3.48Å; K623-P625 WeakPolarHBondContact O-CD 3.34Å |
| 624 | I | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 102.2 | 171.4 | -43.7 | 179 | 0 | 0 | 0 | 107.2 | A600 V601 F622 V630 T788 L790 | A600-I624 WeakPolarHBondContact CA-O 3.3Å; V601-I624 HydrophobicContact CB-CB 4.23Å; V601-I624 HydrophobicContact CB-CD1 4.21Å; V601-I624 HydrophobicContact CB-CG1 4.3Å; V601-I624 PolarHBondContact N-O 2.93Å; V601-I624 PolarHBondContact O-N 2.65Å; F622-I624 HydrophobicContact CD2-CG1 4.13Å; F622-I624 HydrophobicContact CE2-CD1 4.06Å; F622-I624 HydrophobicContact CE2-CG1 3.9Å; I624-V630 HydrophobicContact CB-CG2 4.15Å; I624-V630 HydrophobicContact CD1-CB 4.4Å; I624-V630 HydrophobicContact CG1-CB 4.06Å; I624-V630 HydrophobicContact CG1-CG2 4Å; I624-V630 HydrophobicContact CG2-CB 4.2Å; I624-V630 HydrophobicContact CG2-CG2 3.74Å; I624-T788 HydrophobicContact CB-CG2 3.96Å; I624-T788 HydrophobicContact CG2-CG2 3.46Å; I624-T788 VanDerWaalsContact CG2-CG2 3.46Å; I624-L790 HydrophobicContact CD1-CB 3.95Å; I624-L790 HydrophobicContact CD1-CD1 3.85Å; I624-L790 HydrophobicContact CD1-CG 4.34Å |
| 625 | P | 94.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 32% | 0.318 | 21% | 0.209 | S | C | . | . | trans | -64.4 | 162.7 | 175.9 | -17.4 | 30 | 0 | 0 | 0 | 111.6 | K623 G627 H628 | K623-P625 WeakPolarHBondContact O-CD 3.34Å; P625-G627 PolarHBondContact O-N 3.39Å; P625-H628 HydrophobicContact CB-CB 4.34Å; P625-H628 HydrophobicContact CG-CB 4.45Å; P625-H628 WeakPolarHBondContact O-CB 3.23Å; P625-H628 PolarHBondContact O-N 2.82Å; P625-H628 VanDerWaalsContact O-N 3.14Å | ||
| 626 | K | 92.3 | Very high | 93.1 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 135.3 | 179.1 | 78.5 | -175.3 | 178.6 | -173.1 | 0 | 111.5 | E598 H628 | E598-K626 HydrophobicContact CB-CB 4.06Å; E598-K626 HydrophobicContact CB-CD 3.98Å; E598-K626 HydrophobicContact CG-CD 4.13Å; E598-K626 WeakPolarHBondContact O-CB 3.29Å; E598-K626 IonicContact OE1-NZ 3.96Å; E598-K626 PolarHBondContact OE1-NZ 3Å; E598-K626 IonicContact OE2-NZ 3.74Å; K626-H628 PolarHBondContact O-N 3.19Å; K626-H628 PolarHBondContact O-ND1 3.41Å |
| 627 | G | 89.9 | Confident | 92.7 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 3.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P625 R787 T788 | P625-G627 PolarHBondContact O-N 3.39Å; G627-R787 CarbonylContact C-O 3.32Å; G627-T788 PolarHBondContact N-OG1 3.17Å |
| 628 | H | 93.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 36% | 0.356 | 25% | 0.252 | S | S | . | . | trans | -88.6 | 149.2 | 177.2 | -72.5 | 55.2 | 0 | 0 | 0 | 110.7 | P625 K626 T789 N803 | P625-H628 HydrophobicContact CB-CB 4.34Å; P625-H628 HydrophobicContact CG-CB 4.45Å; P625-H628 WeakPolarHBondContact O-CB 3.23Å; P625-H628 PolarHBondContact O-N 2.82Å; P625-H628 VanDerWaalsContact O-N 3.14Å; K626-H628 PolarHBondContact O-N 3.19Å; K626-H628 PolarHBondContact O-ND1 3.41Å; H628-T789 PolarHBondContact O-N 3.36Å; H628-N803 HydrophobicContact CB-CB 4.42Å | ||
| 629 | T | 94.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 112.7 | 172.9 | -60.6 | 0 | 0 | 0 | 0 | 109.1 | T789 I791 A802 N803 | T629-T789 CarbonylContact C-O 3.48Å; T629-T789 WeakPolarHBondContact CA-O 3.28Å; T629-T789 HydrophobicContact CG2-CG2 4.28Å; T629-I791 HydrophobicContact CG2-CD1 3.34Å; T629-I791 HydrophobicContact CG2-CG1 3.76Å; T629-A802 HydrophobicContact CG2-CB 4.43Å; T629-N803 PolarHBondContact N-OD1 2.94Å; T629-N803 WeakPolarHBondContact O-CB 3.37Å; T629-N803 PolarHBondContact O-N 3.27Å |
| 630 | V | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.2 | 175.6 | 174 | 0 | 0 | 0 | 0 | 109 | I624 T789 L790 I791 E804 L806 | I624-V630 HydrophobicContact CB-CG2 4.15Å; I624-V630 HydrophobicContact CD1-CB 4.4Å; I624-V630 HydrophobicContact CG1-CB 4.06Å; I624-V630 HydrophobicContact CG1-CG2 4Å; I624-V630 HydrophobicContact CG2-CB 4.2Å; I624-V630 HydrophobicContact CG2-CG2 3.74Å; V630-T789 PolarHBondContact N-O 3.4Å; V630-L790 WeakPolarHBondContact O-CA 3.21Å; V630-I791 PolarHBondContact O-N 2.81Å; V630-E804 CarbonylContact C-O 3.55Å; V630-E804 WeakPolarHBondContact CA-O 3.39Å; V630-E804 HydrophobicContact CG2-CB 4.26Å; V630-L806 HydrophobicContact CG1-CD1 3.6Å; V630-L806 HydrophobicContact CG1-CG 3.92Å |
| 631 | A | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 137.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | I791 I799 A802 E804 I805 L806 | A631-I791 CarbonylContact C-O 3.58Å; A631-I791 WeakPolarHBondContact CA-O 3.38Å; A631-I799 HydrophobicContact CB-CB 3.73Å; A631-I799 HydrophobicContact CB-CD1 4.15Å; A631-I799 HydrophobicContact CB-CG2 3.52Å; A631-A802 HydrophobicContact CB-CB 3.78Å; A631-E804 PolarHBondContact N-O 3.23Å; A631-I805 HydrophobicContact CB-CG1 4.19Å; A631-I805 HydrophobicContact CB-CG2 4.46Å; A631-L806 PolarHBondContact O-N 2.99Å |
| 632 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.7 | 170.6 | -62.6 | 170.1 | 0 | 0 | 0 | 109 | I643 L790 I791 V792 A793 L806 L808 | L632-I643 HydrophobicContact CD1-CB 4.25Å; L632-I643 HydrophobicContact CD1-CD1 3.96Å; L632-I643 HydrophobicContact CD1-CG2 3.98Å; L632-I643 HydrophobicContact CD2-CD1 4.13Å; L632-L790 HydrophobicContact CD1-CD1 3.59Å; L632-L790 HydrophobicContact CD1-CD2 3.97Å; L632-L790 HydrophobicContact CD1-CG 4Å; L632-L790 HydrophobicContact CD2-CD1 4.43Å; L632-L790 HydrophobicContact CG-CD1 3.68Å; L632-I791 PolarHBondContact N-O 3.44Å; L632-V792 HydrophobicContact CB-CG2 4.38Å; L632-V792 HydrophobicContact CD1-CG2 4.1Å; L632-A793 PolarHBondContact O-N 2.9Å; L632-L806 HydrophobicContact CD2-CB 4.01Å; L632-L806 HydrophobicContact CD2-CD1 3.93Å; L632-L808 HydrophobicContact CB-CD1 4.12Å; L632-L808 HydrophobicContact CD2-CD1 3.46Å; L632-L808 VanDerWaalsContact CD2-CD1 3.46Å; L632-L808 HydrophobicContact CG-CD1 4.32Å |
| 633 | V | 91.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.2 | -179.5 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | L796 I799 I805 L806 V807 L808 Y830 L833 | V633-L796 HydrophobicContact CB-CD2 4.42Å; V633-L796 HydrophobicContact CG1-CD2 3.49Å; V633-L796 VanDerWaalsContact CG1-CD2 3.49Å; V633-L796 HydrophobicContact CG2-CD2 3.98Å; V633-I799 HydrophobicContact CG2-CD1 3.06Å; V633-I805 HydrophobicContact CB-CG2 4.46Å; V633-I805 HydrophobicContact CG2-CG2 3.76Å; V633-L806 PolarHBondContact N-O 2.9Å; V633-V807 CarbonylContact O-C 3.57Å; V633-V807 WeakPolarHBondContact O-CA 3.48Å; V633-L808 PolarHBondContact O-N 2.99Å; V633-Y830 HydrophobicContact CG2-CE2 4.49Å; V633-L833 HydrophobicContact CG1-CD1 3.88Å |
| 634 | G | 89.2 | Confident | 91.8 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | 169.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | K640 L808 | G634-K640 PolarHBondContact O-NZ 3.25Å; G634-L808 VanDerWaalsContact CA-O 3.31Å; G634-L808 WeakPolarHBondContact CA-O 3.3Å |
| 635 | E | 87.2 | Confident | 91.7 | Very high | 94 Ų | 94 | 35.8 Ų | 35.8 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -60 | 164.9 | 177.7 | -66.6 | 165.8 | -160.4 | 0 | 0 | 112.2 | G637 S638 K640 H809 | E635-G637 PolarHBondContact O-N 2.92Å; E635-S638 WeakPolarHBondContact O-CB 3.31Å; E635-S638 PolarHBondContact O-N 3.34Å; E635-S638 PolarHBondContact O-OG 3.47Å; E635-S638 VanDerWaalsContact O-OG 3.07Å; E635-K640 PolarHBondContact O-NZ 2.92Å; E635-H809 IonicContact OE1-CE1 3.04Å; E635-H809 IonicContact OE1-ND1 3.4Å; E635-H809 IonicContact OE2-ND1 3.79Å |
| 636 | S | 84.7 | Confident | 91.8 | Very high | 127 Ų | 127 | 33.5 Ų | 33.5 | 89% | 0.888 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 134.9 | 173 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | S638 | S636-S638 VanDerWaalsContact C-N 3.34Å; S636-S638 PolarHBondContact O-N 3.38Å |
| 637 | G | 85.4 | Confident | 91.9 | Very high | 61 Ų | 61 | 28.1 Ų | 28.1 | 63% | 0.629 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | 5.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116 | E635 G639 | E635-G637 PolarHBondContact O-N 2.92Å; G637-G639 PolarHBondContact O-N 3.08Å; G637-G639 VanDerWaalsContact O-N 3.15Å |
| 638 | S | 88.8 | Confident | 92.1 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -69.9 | -3.9 | 177.9 | 69.1 | 0 | 0 | 0 | 0 | 115.6 | E635 S636 K640 L808 | E635-S638 WeakPolarHBondContact O-CB 3.31Å; E635-S638 PolarHBondContact O-N 3.34Å; E635-S638 PolarHBondContact O-OG 3.47Å; E635-S638 VanDerWaalsContact O-OG 3.07Å; S636-S638 VanDerWaalsContact C-N 3.34Å; S636-S638 PolarHBondContact O-N 3.38Å; S638-K640 WeakPolarHBondContact OG-CG 3.42Å; S638-L808 WeakPolarHBondContact CB-O 3.44Å |
| 639 | G | 91.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 103.4 | 2.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G637 S641 T642 I643 | G637-G639 PolarHBondContact O-N 3.08Å; G637-G639 VanDerWaalsContact O-N 3.15Å; G639-S641 PolarHBondContact O-N 3.29Å; G639-T642 WeakPolarHBondContact O-CA 3.27Å; G639-T642 VanDerWaalsContact O-CB 3.26Å; G639-T642 WeakPolarHBondContact O-CB 3.4Å; G639-T642 PolarHBondContact O-N 3.48Å; G639-I643 PolarHBondContact O-N 3.35Å; G639-I643 VanDerWaalsContact O-N 3.08Å |
| 640 | K | 92 | Very high | 92.2 | Very high | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.9 | -55.9 | -177.3 | -51.3 | -178.6 | -59 | -79.8 | 0 | 113.7 | G634 E635 S638 T642 I643 V644 E763 V792 | G634-K640 PolarHBondContact O-NZ 3.25Å; E635-K640 PolarHBondContact O-NZ 2.92Å; S638-K640 WeakPolarHBondContact OG-CG 3.42Å; K640-T642 PolarHBondContact O-N 2.98Å; K640-I643 WeakPolarHBondContact O-CB 3.35Å; K640-I643 PolarHBondContact O-N 3.13Å; K640-I643 VanDerWaalsContact O-N 3.14Å; K640-V644 PolarHBondContact O-N 2.75Å; K640-E763 WeakPolarHBondContact CE-OE1 3.35Å; K640-E763 IonicContact NZ-OE1 3.92Å; K640-V792 HydrophobicContact CB-CG1 3.56Å; K640-V792 HydrophobicContact CB-CG2 4.46Å; K640-V792 HydrophobicContact CD-CG1 3.78Å; K640-V792 HydrophobicContact CG-CG1 4.22Å |
| 641 | S | 91.1 | Very high | 92.1 | Very high | 38 Ų | 38 | 27.1 Ų | 27.1 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.9 | -22.3 | 178.2 | -43.6 | 0 | 0 | 0 | 0 | 112.5 | G639 R645 | G639-S641 PolarHBondContact O-N 3.29Å; S641-R645 VanDerWaalsContact O-CG 3.26Å; S641-R645 WeakPolarHBondContact O-CG 3.37Å; S641-R645 PolarHBondContact O-N 2.99Å; S641-R645 VanDerWaalsContact O-N 3.08Å |
| 642 | T | 93.3 | Very high | 92 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.1 | -40.4 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | F608 Y610 I616 L617 G639 K640 V644 R645 L646 | F608-T642 HydrophobicContact CD1-CG2 3.43Å; F608-T642 VanDerWaalsContact CD1-CG2 3.43Å; F608-T642 HydrophobicContact CE1-CG2 3.75Å; F608-T642 HydrophobicContact CG-CG2 4.44Å; Y610-T642 PolarHBondContact OH-OG1 3.07Å; I616-T642 HydrophobicContact CG2-CG2 4.09Å; L617-T642 HydrophobicContact CD1-CG2 4.12Å; L617-T642 HydrophobicContact CG-CG2 4.29Å; G639-T642 WeakPolarHBondContact O-CA 3.27Å; G639-T642 VanDerWaalsContact O-CB 3.26Å; G639-T642 WeakPolarHBondContact O-CB 3.4Å; G639-T642 PolarHBondContact O-N 3.48Å; K640-T642 PolarHBondContact O-N 2.98Å; T642-V644 VanDerWaalsContact C-N 3.31Å; T642-V644 PolarHBondContact O-N 2.98Å; T642-R645 PolarHBondContact O-N 3.5Å; T642-L646 HydrophobicContact CG2-CD1 4.22Å; T642-L646 HydrophobicContact CG2-CG 4.47Å; T642-L646 WeakPolarHBondContact O-CG 3.18Å; T642-L646 PolarHBondContact O-N 2.94Å |
| 643 | I | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 173 | -66.8 | 171.8 | 0 | 0 | 0 | 110.6 | F603 L617 V620 F622 L632 G639 K640 R645 L646 L647 L790 L808 | F603-I643 HydrophobicContact CE1-CG2 3.82Å; F603-I643 HydrophobicContact CE2-CG2 4.39Å; F603-I643 HydrophobicContact CZ-CG2 3.65Å; L617-I643 HydrophobicContact CD1-CG1 3.81Å; L617-I643 HydrophobicContact CD2-CD1 4.37Å; L617-I643 HydrophobicContact CD2-CG1 4.05Å; V620-I643 HydrophobicContact CG1-CD1 4.49Å; F622-I643 HydrophobicContact CE1-CD1 4.42Å; F622-I643 HydrophobicContact CE1-CG2 4.44Å; F622-I643 HydrophobicContact CZ-CG2 4.04Å; L632-I643 HydrophobicContact CD1-CB 4.25Å; L632-I643 HydrophobicContact CD1-CD1 3.96Å; L632-I643 HydrophobicContact CD1-CG2 3.98Å; L632-I643 HydrophobicContact CD2-CD1 4.13Å; G639-I643 PolarHBondContact O-N 3.35Å; G639-I643 VanDerWaalsContact O-N 3.08Å; K640-I643 WeakPolarHBondContact O-CB 3.35Å; K640-I643 PolarHBondContact O-N 3.13Å; K640-I643 VanDerWaalsContact O-N 3.14Å; I643-R645 VanDerWaalsContact C-N 3.35Å; I643-R645 PolarHBondContact O-N 2.73Å; I643-L646 PolarHBondContact O-N 3.48Å; I643-L647 PolarHBondContact O-N 3.32Å; I643-L790 HydrophobicContact CG2-CD2 4.22Å; I643-L808 HydrophobicContact CD1-CD1 4.22Å; I643-L808 HydrophobicContact CD1-CD2 3.73Å |
| 644 | V | 94.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | K640 T642 L646 L647 F648 I760 V792 | K640-V644 PolarHBondContact O-N 2.75Å; T642-V644 VanDerWaalsContact C-N 3.31Å; T642-V644 PolarHBondContact O-N 2.98Å; V644-L646 VanDerWaalsContact C-N 3.34Å; V644-L646 PolarHBondContact O-N 2.86Å; V644-L647 PolarHBondContact O-N 3.41Å; V644-F648 HydrophobicContact CG1-CD2 4.17Å; V644-F648 HydrophobicContact CG1-CE2 4.3Å; V644-F648 WeakPolarHBondContact O-CD2 3.46Å; V644-F648 PolarHBondContact O-N 3.45Å; V644-F648 VanDerWaalsContact O-N 3.17Å; V644-I760 HydrophobicContact CB-CG2 4.38Å; V644-I760 HydrophobicContact CG1-CG2 3.82Å; V644-I760 HydrophobicContact CG2-CG2 3.72Å; V644-V792 HydrophobicContact CG2-CG2 3.8Å |
| 645 | R | 94.3 | Very high | 92.1 | Very high | 90 Ų | 90 | 39.1 Ų | 39.1 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -35.5 | 179.2 | -70.8 | 166.7 | -179.7 | 177.9 | 1.7 | 113 | Y610 S641 T642 I643 R649 F650 Y651 | Y610-R645 WeakPolarHBondContact OH-CD 3.39Å; Y610-R645 PolarHBondContact OH-NH1 3.09Å; Y610-R645 VanDerWaalsContact OH-NH1 3.09Å; S641-R645 VanDerWaalsContact O-CG 3.26Å; S641-R645 WeakPolarHBondContact O-CG 3.37Å; S641-R645 PolarHBondContact O-N 2.99Å; S641-R645 VanDerWaalsContact O-N 3.08Å; T642-R645 PolarHBondContact O-N 3.5Å; I643-R645 VanDerWaalsContact C-N 3.35Å; I643-R645 PolarHBondContact O-N 2.73Å; R645-R649 PolarHBondContact O-N 3.48Å; R645-F650 HydrophobicContact CB-CD2 4.33Å; R645-F650 HydrophobicContact CG-CD2 4.31Å; R645-F650 PolarHBondContact O-N 3.43Å; R645-Y651 HydrophobicContact CB-CD2 4.19Å; R645-Y651 HydrophobicContact CB-CE2 4.43Å |
| 646 | L | 95.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | 175.3 | -71.9 | 170.7 | 0 | 0 | 0 | 111.7 | V606 F608 L617 T642 I643 V644 F648 R649 T653 I658 I665 | V606-L646 HydrophobicContact CG1-CD1 4.15Å; F608-L646 HydrophobicContact CB-CD1 3.95Å; F608-L646 HydrophobicContact CD1-CD1 4.42Å; F608-L646 HydrophobicContact CD2-CD2 3.74Å; F608-L646 HydrophobicContact CE2-CD2 4.05Å; F608-L646 HydrophobicContact CG-CD1 4.06Å; F608-L646 HydrophobicContact CG-CD2 3.98Å; F608-L646 HydrophobicContact CG-CG 4.47Å; L617-L646 HydrophobicContact CD1-CD1 3.47Å; L617-L646 VanDerWaalsContact CD1-CD1 3.47Å; T642-L646 HydrophobicContact CG2-CD1 4.22Å; T642-L646 HydrophobicContact CG2-CG 4.47Å; T642-L646 WeakPolarHBondContact O-CG 3.18Å; T642-L646 PolarHBondContact O-N 2.94Å; I643-L646 PolarHBondContact O-N 3.48Å; V644-L646 VanDerWaalsContact C-N 3.34Å; V644-L646 PolarHBondContact O-N 2.86Å; L646-F648 VanDerWaalsContact C-N 3.33Å; L646-F648 PolarHBondContact O-N 3.48Å; L646-R649 WeakPolarHBondContact O-CA 3.3Å; L646-R649 PolarHBondContact O-N 2.9Å; L646-T653 HydrophobicContact CD2-CG2 4.23Å; L646-I658 HydrophobicContact CB-CD1 3.78Å; L646-I665 WeakPolarHBondContact O-CD1 3.3Å |
| 647 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.3 | -170.7 | 56 | 0 | 0 | 0 | 111.9 | V601 F603 I643 V644 R649 I658 I660 L677 I760 L790 | V601-L647 HydrophobicContact CG1-CD1 3.77Å; F603-L647 HydrophobicContact CE2-CD1 4.3Å; F603-L647 HydrophobicContact CZ-CB 4.31Å; F603-L647 HydrophobicContact CZ-CD1 4.37Å; I643-L647 PolarHBondContact O-N 3.32Å; V644-L647 PolarHBondContact O-N 3.41Å; L647-R649 PolarHBondContact O-N 3.45Å; L647-I658 HydrophobicContact CD1-CG2 4.05Å; L647-I660 HydrophobicContact CD1-CD1 4.41Å; L647-L677 HydrophobicContact CD2-CD2 4.42Å; L647-L677 HydrophobicContact CG-CD1 4.24Å; L647-L677 HydrophobicContact CG-CD2 4.14Å; L647-L677 WeakPolarHBondContact O-CD1 3.44Å; L647-I760 HydrophobicContact CD2-CD1 3.7Å; L647-I760 HydrophobicContact CD2-CG1 4.06Å; L647-I760 HydrophobicContact CG-CD1 4.32Å; L647-L790 HydrophobicContact CD2-CD2 4.26Å |
| 648 | F | 94.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 31 Ų | 31 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2 | 171 | -84.8 | -80 | 0 | 0 | 0 | 114.7 | V644 L646 F650 R674 L677 V679 I760 | V644-F648 HydrophobicContact CG1-CD2 4.17Å; V644-F648 HydrophobicContact CG1-CE2 4.3Å; V644-F648 WeakPolarHBondContact O-CD2 3.46Å; V644-F648 PolarHBondContact O-N 3.45Å; V644-F648 VanDerWaalsContact O-N 3.17Å; L646-F648 VanDerWaalsContact C-N 3.33Å; L646-F648 PolarHBondContact O-N 3.48Å; F648-F650 HydrophobicContact CB-CD1 4.49Å; F648-F650 HydrophobicContact CB-CD2 3.84Å; F648-F650 HydrophobicContact CB-CE1 4.34Å; F648-F650 HydrophobicContact CB-CE2 3.69Å; F648-F650 HydrophobicContact CB-CG 4.25Å; F648-F650 HydrophobicContact CB-CZ 3.96Å; F648-F650 HydrophobicContact CD1-CZ 4.48Å; F648-F650 HydrophobicContact CG-CE2 4.13Å; F648-F650 HydrophobicContact CG-CZ 4.3Å; F648-F650 PolarHBondContact O-N 2.88Å; F648-R674 HydrophobicContact CD1-CG 4.22Å; F648-R674 PolarHBondContact O-NE 3.37Å; F648-L677 HydrophobicContact CD1-CB 4.22Å; F648-L677 HydrophobicContact CD1-CD1 3.95Å; F648-L677 HydrophobicContact CE1-CB 3.6Å; F648-L677 HydrophobicContact CE1-CD1 4.17Å; F648-L677 HydrophobicContact CG-CD1 4.16Å; F648-L677 HydrophobicContact CZ-CB 3.81Å; F648-V679 HydrophobicContact CE1-CG1 4.48Å; F648-V679 HydrophobicContact CE2-CB 3.68Å; F648-V679 HydrophobicContact CE2-CG1 3.93Å; F648-V679 HydrophobicContact CE2-CG2 4.25Å; F648-V679 HydrophobicContact CZ-CB 3.63Å; F648-V679 HydrophobicContact CZ-CG1 3.63Å; F648-I760 HydrophobicContact CD2-CD1 3.96Å; F648-I760 HydrophobicContact CE2-CD1 3.29Å; F648-I760 HydrophobicContact CZ-CD1 3.93Å |
| 649 | R | 94.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 46.7 | -173.9 | -161.1 | 179.5 | 169.9 | -153.5 | -10.7 | 111.7 | V585 T586 D587 R645 L646 L647 D652 I665 K666 V668 L673 R674 | V585-R649 HydrophobicContact CG1-CG 4.17Å; T586-R649 PolarHBondContact O-NH2 3.36Å; D587-R649 IonicContact OD1-NH1 3.97Å; R645-R649 PolarHBondContact O-N 3.48Å; L646-R649 WeakPolarHBondContact O-CA 3.3Å; L646-R649 PolarHBondContact O-N 2.9Å; L647-R649 PolarHBondContact O-N 3.45Å; R649-D652 WeakPolarHBondContact CG-OD1 3.3Å; R649-D652 IonicContact CZ-OD1 3.95Å; R649-D652 IonicContact NE-OD1 3.79Å; R649-D652 PolarHBondContact NE-OD1 2.8Å; R649-D652 IonicContact NH2-OD1 2.76Å; R649-D652 IonicContact NH2-OD2 3.31Å; R649-I665 HydrophobicContact CB-CD1 4.36Å; R649-I665 WeakPolarHBondContact CD-O 3.4Å; R649-I665 PolarHBondContact NH1-O 3.29Å; R649-I665 VanDerWaalsContact NH1-O 3.07Å; R649-K666 PolarHBondContact NH1-O 2.93Å; R649-K666 PolarHBondContact NH2-O 3.32Å; R649-V668 PolarHBondContact NH1-O 2.9Å; R649-L673 HydrophobicContact CB-CD2 3.57Å; R649-R674 PolarHBondContact O-NH2 3.33Å |
| 650 | F | 93.8 | Very high | 94 | Very high | 67 Ų | 67 | 31.5 Ų | 31.5 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -76.2 | -19.3 | 164.9 | -65.8 | -40.2 | 0 | 0 | 0 | 111.7 | L369 R645 F648 | L369-F650 HydrophobicContact CB-CB 4.07Å; L369-F650 HydrophobicContact CB-CG 4.32Å; L369-F650 HydrophobicContact CD2-CB 3.87Å; L369-F650 HydrophobicContact CD2-CD2 3.67Å; L369-F650 HydrophobicContact CD2-CE2 4.34Å; L369-F650 HydrophobicContact CD2-CG 3.82Å; R645-F650 HydrophobicContact CB-CD2 4.33Å; R645-F650 HydrophobicContact CG-CD2 4.31Å; R645-F650 PolarHBondContact O-N 3.43Å; F648-F650 HydrophobicContact CB-CD1 4.49Å; F648-F650 HydrophobicContact CB-CD2 3.84Å; F648-F650 HydrophobicContact CB-CE1 4.34Å; F648-F650 HydrophobicContact CB-CE2 3.69Å; F648-F650 HydrophobicContact CB-CG 4.25Å; F648-F650 HydrophobicContact CB-CZ 3.96Å; F648-F650 HydrophobicContact CD1-CZ 4.48Å; F648-F650 HydrophobicContact CG-CE2 4.13Å; F648-F650 HydrophobicContact CG-CZ 4.3Å; F648-F650 PolarHBondContact O-N 2.88Å |
| 651 | Y | 93.6 | Very high | 94 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 9% | 0.09 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -138.5 | 147 | 172.6 | -59.2 | -92.7 | 0 | 0 | 0 | 107.5 | L369 K370 F608 Y610 R645 | L369-Y651 HydrophobicContact CD2-CE2 4.15Å; K370-Y651 WeakPolarHBondContact CA-OH 3.13Å; K370-Y651 HydrophobicContact CB-CE1 3.77Å; K370-Y651 HydrophobicContact CD-CE1 4.46Å; K370-Y651 HydrophobicContact CG-CE1 4.34Å; K370-Y651 PolarHBondContact N-OH 3.39Å; F608-Y651 HydrophobicContact CE2-CD1 4.29Å; F608-Y651 HydrophobicContact CE2-CG 4.17Å; F608-Y651 AromaticContact CZ-CD1 3.75Å; F608-Y651 HydrophobicContact CZ-CD1 3.75Å; F608-Y651 HydrophobicContact CZ-CD2 4.47Å; F608-Y651 AromaticContact CZ-CG 3.7Å; F608-Y651 HydrophobicContact CZ-CG 3.7Å; Y610-Y651 HydrophobicContact CD1-CD1 4.09Å; Y610-Y651 AromaticContact CD1-CE1 3.65Å; Y610-Y651 HydrophobicContact CD1-CE1 3.65Å; Y610-Y651 HydrophobicContact CD1-CE2 4.44Å; Y610-Y651 AromaticContact CD1-CZ 3.88Å; Y610-Y651 AromaticContact CE1-CD1 3.95Å; Y610-Y651 HydrophobicContact CE1-CD1 3.95Å; Y610-Y651 AromaticContact CE1-CD2 3.87Å; Y610-Y651 HydrophobicContact CE1-CD2 3.87Å; Y610-Y651 AromaticContact CE1-CE1 3.57Å; Y610-Y651 HydrophobicContact CE1-CE1 3.57Å; Y610-Y651 AromaticContact CE1-CE2 3.54Å; Y610-Y651 HydrophobicContact CE1-CE2 3.54Å; Y610-Y651 HydrophobicContact CE1-CG 4.08Å; Y610-Y651 AromaticContact CE1-CZ 3.39Å; R645-Y651 HydrophobicContact CB-CD2 4.19Å; R645-Y651 HydrophobicContact CB-CE2 4.43Å |
| 652 | D | 92.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | trans | -85 | 153.8 | 167.6 | -81.2 | -6 | 0 | 0 | 0 | 109.7 | F608 R649 | F608-D652 WeakPolarHBondContact CD2-O 3.34Å; F608-D652 WeakPolarHBondContact CE2-O 3.29Å; R649-D652 WeakPolarHBondContact CG-OD1 3.3Å; R649-D652 IonicContact CZ-OD1 3.95Å; R649-D652 IonicContact NE-OD1 3.79Å; R649-D652 PolarHBondContact NE-OD1 2.8Å; R649-D652 IonicContact NH2-OD1 2.76Å; R649-D652 IonicContact NH2-OD2 3.31Å | ||
| 653 | T | 93 | Very high | 94.1 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | trans | -70.2 | 144.2 | 175.1 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | V606 L646 G656 I658 | V606-T653 HydrophobicContact CG1-CG2 3.54Å; V606-T653 HydrophobicContact CG2-CG2 4.29Å; L646-T653 HydrophobicContact CD2-CG2 4.23Å; T653-G656 PolarHBondContact OG1-O 3.44Å; T653-I658 HydrophobicContact CG2-CD1 3.79Å; T653-I658 HydrophobicContact CG2-CG1 4.08Å | ||
| 654 | T | 91.5 | Very high | 94.1 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 41% | 0.405 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -73.7 | -49 | 174.8 | -53 | 0 | 0 | 0 | 0 | 109.9 | C607 F609 | C607-T654 WeakPolarHBondContact O-CB 3.24Å; C607-T654 PolarHBondContact O-N 3.24Å; F609-T654 HydrophobicContact CD1-CG2 4.19Å; F609-T654 HydrophobicContact CE1-CG2 3.48Å; F609-T654 VanDerWaalsContact CE1-CG2 3.48Å; F609-T654 HydrophobicContact CZ-CG2 4.01Å |
| 655 | E | 92.5 | Very high | 94.1 | Very high | 126 Ų | 126 | 38 Ų | 38 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.4 | 174.2 | -54.6 | 178.5 | 162 | 0 | 0 | 108.8 | V606 C607 | V606-E655 WeakPolarHBondContact CA-O 3.49Å; C607-E655 HydrophobicContact CB-CB 3.94Å; C607-E655 HydrophobicContact CB-CG 4.4Å; C607-E655 PolarHBondContact N-O 3.2Å; C607-E655 PolarHBondContact O-N 3.46Å |
| 656 | G | 93.5 | Very high | 93.9 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.9 | 179.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N604 N605 T653 | N604-G656 CarbonylContact O-C 3.47Å; N604-G656 WeakPolarHBondContact O-CA 3.16Å; N605-G656 WeakPolarHBondContact O-CA 3.47Å; T653-G656 PolarHBondContact OG1-O 3.44Å |
| 657 | E | 95.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.9 | -175 | 58 | -177.2 | 174.4 | 0 | 0 | 112.6 | N604 L659 N664 | N604-E657 HydrophobicContact CB-CG 4.04Å; N604-E657 PolarHBondContact N-O 2.8Å; N604-E657 PolarHBondContact O-N 2.61Å; E657-L659 HydrophobicContact CG-CD2 4.24Å; E657-L659 HydrophobicContact CG-CG 4.32Å; E657-N664 VanDerWaalsContact CB-ND2 3.29Å; E657-N664 WeakPolarHBondContact CB-ND2 3.26Å; E657-N664 PolarHBondContact OE2-ND2 3.2Å |
| 658 | I | 96.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123 | 173.2 | -58.6 | 168.5 | 0 | 0 | 0 | 106.7 | E602 F603 V606 L646 L647 T653 N664 I665 | E602-I658 CarbonylContact O-C 3.58Å; E602-I658 WeakPolarHBondContact O-CA 3.31Å; F603-I658 HydrophobicContact CD1-CD1 3.92Å; F603-I658 HydrophobicContact CD1-CG1 3.71Å; F603-I658 HydrophobicContact CD2-CG2 4.31Å; F603-I658 HydrophobicContact CE1-CD1 3.37Å; F603-I658 HydrophobicContact CE1-CG1 3.67Å; F603-I658 HydrophobicContact CE1-CG2 4.47Å; F603-I658 HydrophobicContact CE2-CG2 4.02Å; F603-I658 HydrophobicContact CG-CG1 4.2Å; F603-I658 HydrophobicContact CZ-CD1 3.83Å; F603-I658 HydrophobicContact CZ-CG1 4.14Å; F603-I658 HydrophobicContact CZ-CG2 4.09Å; V606-I658 HydrophobicContact CG2-CG1 3.9Å; L646-I658 HydrophobicContact CB-CD1 3.78Å; L647-I658 HydrophobicContact CD1-CG2 4.05Å; T653-I658 HydrophobicContact CG2-CD1 3.79Å; T653-I658 HydrophobicContact CG2-CG1 4.08Å; I658-N664 WeakPolarHBondContact O-CA 3.01Å; I658-I665 HydrophobicContact CB-CD1 3.67Å; I658-I665 HydrophobicContact CB-CG1 3.95Å; I658-I665 HydrophobicContact CD1-CD1 3.95Å; I658-I665 HydrophobicContact CG1-CD1 4.36Å; I658-I665 HydrophobicContact CG2-CD1 3.9Å; I658-I665 HydrophobicContact CG2-CG1 4.39Å; I658-I665 HydrophobicContact CG2-CG2 4.23Å; I658-I665 PolarHBondContact O-N 2.95Å |
| 659 | L | 95.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139 | -177.6 | -52.4 | 169.1 | 0 | 0 | 0 | 109.6 | V601 E602 N604 E657 Q663 N664 | V601-L659 WeakPolarHBondContact CA-O 3.26Å; E602-L659 HydrophobicContact CB-CB 4.23Å; E602-L659 PolarHBondContact N-O 3.12Å; E602-L659 PolarHBondContact O-N 3.13Å; N604-L659 WeakPolarHBondContact ND2-CD1 3.39Å; E657-L659 HydrophobicContact CG-CD2 4.24Å; E657-L659 HydrophobicContact CG-CG 4.32Å; L659-Q663 CarbonylContact C-O 3.58Å; L659-Q663 VanDerWaalsContact CA-O 3.29Å; L659-Q663 WeakPolarHBondContact CA-O 3.46Å; L659-N664 HydrophobicContact CD2-CB 3.74Å |
| 660 | I | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.8 | 167.4 | -62.4 | 177 | 0 | 0 | 0 | 107.7 | L594 V596 A600 V601 L647 G662 Q663 I665 L673 L677 I758 | L594-I660 HydrophobicContact CD1-CB 4.21Å; L594-I660 HydrophobicContact CD1-CG2 4.4Å; L594-I660 HydrophobicContact CD2-CB 4.49Å; L594-I660 HydrophobicContact CD2-CD1 4.09Å; L594-I660 HydrophobicContact CD2-CG2 4.27Å; V596-I660 HydrophobicContact CG2-CG2 4.46Å; A600-I660 CarbonylContact O-C 3.52Å; A600-I660 VanDerWaalsContact O-CA 3.31Å; A600-I660 WeakPolarHBondContact O-CA 3.37Å; V601-I660 HydrophobicContact CG2-CG1 4.44Å; L647-I660 HydrophobicContact CD1-CD1 4.41Å; I660-G662 PolarHBondContact O-N 3.12Å; I660-G662 VanDerWaalsContact O-N 3.15Å; I660-Q663 PolarHBondContact N-O 3.31Å; I660-Q663 WeakPolarHBondContact O-CB 3.47Å; I660-Q663 PolarHBondContact O-N 3.24Å; I660-I665 HydrophobicContact CD1-CG2 3.81Å; I660-I665 HydrophobicContact CG1-CG2 3.89Å; I660-L673 HydrophobicContact CD1-CD1 3.37Å; I660-L677 HydrophobicContact CD1-CD2 4.44Å; I660-I758 HydrophobicContact CD1-CD1 3.94Å; I660-I758 HydrophobicContact CG1-CD1 4.33Å; I660-I758 HydrophobicContact CG2-CD1 3.78Å |
| 661 | D | 93.5 | Very high | 93.5 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 37.6 | -172.2 | -66.5 | -20.1 | 0 | 0 | 0 | 112.6 | K597 E598 G599 A600 Q663 | K597-D661 PolarHBondContact N-OD2 2.96Å; E598-D661 PolarHBondContact N-OD2 3.45Å; G599-D661 VanDerWaalsContact N-CG 3.34Å; G599-D661 PolarHBondContact N-OD1 3.17Å; G599-D661 PolarHBondContact N-OD2 2.81Å; A600-D661 PolarHBondContact N-OD1 3.39Å; A600-D661 PolarHBondContact O-N 3.22Å; D661-Q663 VanDerWaalsContact C-N 3.28Å; D661-Q663 PolarHBondContact O-N 2.78Å |
| 662 | G | 91.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 62% | 0.619 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -1.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I660 | I660-G662 PolarHBondContact O-N 3.12Å; I660-G662 VanDerWaalsContact O-N 3.15Å |
| 663 | Q | 94 | Very high | 93.7 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126 | 176 | -67.9 | 161.1 | 79.2 | 0 | 0 | 110.7 | L594 I595 L659 I660 D661 I665 | L594-Q663 HydrophobicContact CD1-CB 4.08Å; I595-Q663 PolarHBondContact O-NE2 2.88Å; L659-Q663 CarbonylContact C-O 3.58Å; L659-Q663 VanDerWaalsContact CA-O 3.29Å; L659-Q663 WeakPolarHBondContact CA-O 3.46Å; I660-Q663 PolarHBondContact N-O 3.31Å; I660-Q663 WeakPolarHBondContact O-CB 3.47Å; I660-Q663 PolarHBondContact O-N 3.24Å; D661-Q663 VanDerWaalsContact C-N 3.28Å; D661-Q663 PolarHBondContact O-N 2.78Å; Q663-I665 PolarHBondContact O-N 3.47Å |
| 664 | N | 94.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124 | 176.8 | -174.2 | -35.3 | 0 | 0 | 0 | 111 | E657 I658 L659 K666 S667 | E657-N664 VanDerWaalsContact CB-ND2 3.29Å; E657-N664 WeakPolarHBondContact CB-ND2 3.26Å; E657-N664 PolarHBondContact OE2-ND2 3.2Å; I658-N664 WeakPolarHBondContact O-CA 3.01Å; L659-N664 HydrophobicContact CD2-CB 3.74Å; N664-K666 PolarHBondContact O-N 2.92Å; N664-K666 WeakPolarHBondContact OD1-CB 3.2Å; N664-K666 PolarHBondContact OD1-N 3.49Å; N664-S667 PolarHBondContact O-N 3.32Å; N664-S667 PolarHBondContact O-OG 2.93Å |
| 665 | I | 94 | Very high | 93.9 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20 | -177.2 | 67.6 | 171 | 0 | 0 | 0 | 113.7 | L646 R649 I658 I660 Q663 S667 V668 L673 | L646-I665 WeakPolarHBondContact O-CD1 3.3Å; R649-I665 HydrophobicContact CB-CD1 4.36Å; R649-I665 WeakPolarHBondContact CD-O 3.4Å; R649-I665 PolarHBondContact NH1-O 3.29Å; R649-I665 VanDerWaalsContact NH1-O 3.07Å; I658-I665 HydrophobicContact CB-CD1 3.67Å; I658-I665 HydrophobicContact CB-CG1 3.95Å; I658-I665 HydrophobicContact CD1-CD1 3.95Å; I658-I665 HydrophobicContact CG1-CD1 4.36Å; I658-I665 HydrophobicContact CG2-CD1 3.9Å; I658-I665 HydrophobicContact CG2-CG1 4.39Å; I658-I665 HydrophobicContact CG2-CG2 4.23Å; I658-I665 PolarHBondContact O-N 2.95Å; I660-I665 HydrophobicContact CD1-CG2 3.81Å; I660-I665 HydrophobicContact CG1-CG2 3.89Å; Q663-I665 PolarHBondContact O-N 3.47Å; I665-S667 VanDerWaalsContact C-N 3.33Å; I665-V668 WeakPolarHBondContact O-CG2 3.32Å; I665-L673 HydrophobicContact CB-CD1 4.44Å; I665-L673 HydrophobicContact CB-CD2 4.07Å; I665-L673 HydrophobicContact CG2-CD1 3.93Å; I665-L673 HydrophobicContact CG2-CD2 4.4Å |
| 666 | K | 91.4 | Very high | 93.9 | Very high | 113 Ų | 113 | 43.3 Ų | 43.3 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -29.7 | 175.3 | -166 | 175.6 | -171.3 | 174.3 | 0 | 112.8 | R649 N664 | R649-K666 PolarHBondContact NH1-O 2.93Å; R649-K666 PolarHBondContact NH2-O 3.32Å; N664-K666 PolarHBondContact O-N 2.92Å; N664-K666 WeakPolarHBondContact OD1-CB 3.2Å; N664-K666 PolarHBondContact OD1-N 3.49Å |
| 667 | S | 91.4 | Very high | 94 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11.6 | -177 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | A591 Q592 N664 I665 | A591-S667 WeakPolarHBondContact CA-O 3.36Å; A591-S667 WeakPolarHBondContact CB-O 3.49Å; Q592-S667 PolarHBondContact N-O 3.44Å; N664-S667 PolarHBondContact O-N 3.32Å; N664-S667 PolarHBondContact O-OG 2.93Å; I665-S667 VanDerWaalsContact C-N 3.33Å |
| 668 | V | 93.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -102.8 | 161.5 | -178.5 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | Q592 L594 R649 I665 L673 | Q592-V668 CarbonylContact O-C 3.04Å; Q592-V668 WeakPolarHBondContact O-CA 3.48Å; Q592-V668 WeakPolarHBondContact O-CB 3.29Å; L594-V668 HydrophobicContact CB-CB 4.11Å; L594-V668 HydrophobicContact CB-CG1 4.16Å; L594-V668 HydrophobicContact CB-CG2 4.14Å; L594-V668 HydrophobicContact CD1-CG1 4.02Å; L594-V668 HydrophobicContact CD1-CG2 4.36Å; R649-V668 PolarHBondContact NH1-O 2.9Å; I665-V668 WeakPolarHBondContact O-CG2 3.32Å; V668-L673 HydrophobicContact CG2-CB 4.38Å |
| 669 | T | 94.1 | Very high | 93.8 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | trans | -70.1 | 135.3 | 176 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | D587 A591 Q592 A671 S672 L673 | D587-T669 WeakPolarHBondContact OD2-CA 3.45Å; A591-T669 HydrophobicContact CB-CG2 3.91Å; A591-T669 WeakPolarHBondContact O-CG2 3.4Å; Q592-T669 PolarHBondContact O-N 3.32Å; T669-A671 PolarHBondContact O-N 3.37Å; T669-S672 PolarHBondContact O-N 3.35Å; T669-S672 PolarHBondContact O-OG 3.12Å; T669-S672 WeakPolarHBondContact OG1-CB 3.36Å; T669-S672 PolarHBondContact OG1-OG 3.1Å; T669-L673 PolarHBondContact O-N 3.08Å | ||
| 670 | Q | 93.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.9 | -34.8 | 177.8 | -80.4 | 167.9 | 76.5 | 0 | 0 | 112.7 | V585 D587 R674 | V585-Q670 PolarHBondContact O-NE2 2.85Å; D587-Q670 WeakPolarHBondContact OD1-CG 3.44Å; D587-Q670 PolarHBondContact OD1-N 3.32Å; D587-Q670 VanDerWaalsContact OD1-N 3.13Å; D587-Q670 PolarHBondContact OD1-NE2 3.5Å; D587-Q670 PolarHBondContact OD2-N 3.37Å; D587-Q670 VanDerWaalsContact OD2-N 3.09Å; Q670-R674 WeakPolarHBondContact O-CB 3.5Å; Q670-R674 VanDerWaalsContact O-CG 3.23Å; Q670-R674 WeakPolarHBondContact O-CG 3.37Å; Q670-R674 PolarHBondContact O-N 3.06Å |
| 671 | A | 92.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 60% | 0.603 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.9 | -47.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | T669 R674 Q675 | T669-A671 PolarHBondContact O-N 3.37Å; A671-R674 PolarHBondContact O-N 2.04Å; A671-Q675 WeakPolarHBondContact O-CB 3.2Å; A671-Q675 PolarHBondContact O-N 2.98Å |
| 672 | S | 94.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 179 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | L594 T669 Q675 S676 | L594-S672 PolarHBondContact N-OG 3.42Å; T669-S672 PolarHBondContact O-N 3.35Å; T669-S672 PolarHBondContact O-OG 3.12Å; T669-S672 WeakPolarHBondContact OG1-CB 3.36Å; T669-S672 PolarHBondContact OG1-OG 3.1Å; S672-Q675 PolarHBondContact O-N 3.49Å; S672-S676 PolarHBondContact O-N 3.1Å |
| 673 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -52.2 | 173.7 | 175.3 | 65.5 | 0 | 0 | 0 | 111.5 | L594 R649 I660 I665 V668 T669 Q675 S676 L677 | L594-L673 HydrophobicContact CD2-CB 4.46Å; L594-L673 HydrophobicContact CD2-CD1 3.86Å; R649-L673 HydrophobicContact CB-CD2 3.57Å; I660-L673 HydrophobicContact CD1-CD1 3.37Å; I665-L673 HydrophobicContact CB-CD1 4.44Å; I665-L673 HydrophobicContact CB-CD2 4.07Å; I665-L673 HydrophobicContact CG2-CD1 3.93Å; I665-L673 HydrophobicContact CG2-CD2 4.4Å; V668-L673 HydrophobicContact CG2-CB 4.38Å; T669-L673 PolarHBondContact O-N 3.08Å; L673-Q675 PolarHBondContact O-N 3.32Å; L673-S676 PolarHBondContact O-N 2.98Å; L673-S676 PolarHBondContact O-OG 3.44Å; L673-L677 HydrophobicContact CD1-CD1 3.92Å; L673-L677 HydrophobicContact CD1-CG 4.32Å; L673-L677 HydrophobicContact CG-CD1 3.98Å; L673-L677 WeakPolarHBondContact O-CG 3.46Å; L673-L677 PolarHBondContact O-N 2.99Å |
| 674 | R | 95.2 | Very high | 92.2 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 30% | 0.302 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.4 | -21.5 | -178.6 | -67.2 | 178.1 | -174.2 | 149.7 | 9.2 | 112.5 | F648 R649 Q670 A671 K754 | F648-R674 HydrophobicContact CD1-CG 4.22Å; F648-R674 PolarHBondContact O-NE 3.37Å; R649-R674 PolarHBondContact O-NH2 3.33Å; Q670-R674 WeakPolarHBondContact O-CB 3.5Å; Q670-R674 VanDerWaalsContact O-CG 3.23Å; Q670-R674 WeakPolarHBondContact O-CG 3.37Å; Q670-R674 PolarHBondContact O-N 3.06Å; A671-R674 PolarHBondContact O-N 2.04Å; R674-K754 WeakPolarHBondContact O-CE 3.22Å; R674-K754 PolarHBondContact O-NZ 2.66Å |
| 675 | Q | 92.7 | Very high | 91.9 | Very high | 149 Ų | 149 | 45 Ų | 45 | 70% | 0.696 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -70.3 | -37.5 | 174.2 | -174 | 174.9 | -5 | 0 | 0 | 111.8 | A671 S672 L673 K754 | A671-Q675 WeakPolarHBondContact O-CB 3.2Å; A671-Q675 PolarHBondContact O-N 2.98Å; S672-Q675 PolarHBondContact O-N 3.49Å; L673-Q675 PolarHBondContact O-N 3.32Å; Q675-K754 WeakPolarHBondContact O-CE 3.46Å |
| 676 | S | 93.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -81.7 | -21.8 | -179.6 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | S672 L673 P756 T757 I758 | S672-S676 PolarHBondContact O-N 3.1Å; L673-S676 PolarHBondContact O-N 2.98Å; L673-S676 PolarHBondContact O-OG 3.44Å; S676-P756 WeakPolarHBondContact O-CB 3.41Å; S676-T757 PolarHBondContact O-N 3.1Å; S676-T757 VanDerWaalsContact O-N 3.15Å; S676-I758 PolarHBondContact O-N 3.05Å |
| 677 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.8 | 177.3 | -60.8 | 175.6 | 0 | 0 | 0 | 111.8 | L647 F648 I660 L673 K754 I758 | L647-L677 HydrophobicContact CD2-CD2 4.42Å; L647-L677 HydrophobicContact CG-CD1 4.24Å; L647-L677 HydrophobicContact CG-CD2 4.14Å; L647-L677 WeakPolarHBondContact O-CD1 3.44Å; F648-L677 HydrophobicContact CD1-CB 4.22Å; F648-L677 HydrophobicContact CD1-CD1 3.95Å; F648-L677 HydrophobicContact CE1-CB 3.6Å; F648-L677 HydrophobicContact CE1-CD1 4.17Å; F648-L677 HydrophobicContact CG-CD1 4.16Å; F648-L677 HydrophobicContact CZ-CB 3.81Å; I660-L677 HydrophobicContact CD1-CD2 4.44Å; L673-L677 HydrophobicContact CD1-CD1 3.92Å; L673-L677 HydrophobicContact CD1-CG 4.32Å; L673-L677 HydrophobicContact CG-CD1 3.98Å; L673-L677 WeakPolarHBondContact O-CG 3.46Å; L673-L677 PolarHBondContact O-N 2.99Å; L677-K754 VanDerWaalsContact O-CE 3.31Å; L677-K754 WeakPolarHBondContact O-CE 3.48Å; L677-K754 PolarHBondContact O-NZ 2.9Å; L677-I758 CarbonylContact C-O 3.5Å; L677-I758 WeakPolarHBondContact CA-O 3.42Å; L677-I758 HydrophobicContact CD2-CB 3.69Å; L677-I758 HydrophobicContact CD2-CD1 3.87Å; L677-I758 HydrophobicContact CD2-CG1 4.41Å; L677-I758 HydrophobicContact CD2-CG2 3.6Å |
| 678 | G | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N751 P756 I758 M759 I760 | G678-N751 WeakPolarHBondContact CA-OD1 3.4Å; G678-P756 VanDerWaalsContact N-CB 3.32Å; G678-I758 PolarHBondContact N-O 2.81Å; G678-M759 CarbonylContact O-C 3.58Å; G678-I760 PolarHBondContact O-N 3.38Å |
| 679 | V | 93.6 | Very high | 92.2 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.1 | -175.8 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | F648 N751 I760 | F648-V679 HydrophobicContact CE1-CG1 4.48Å; F648-V679 HydrophobicContact CE2-CB 3.68Å; F648-V679 HydrophobicContact CE2-CG1 3.93Å; F648-V679 HydrophobicContact CE2-CG2 4.25Å; F648-V679 HydrophobicContact CZ-CB 3.63Å; F648-V679 HydrophobicContact CZ-CG1 3.63Å; V679-N751 PolarHBondContact N-OD1 3.39Å; V679-I760 CarbonylContact C-O 3.53Å; V679-I760 VanDerWaalsContact CA-O 3.27Å; V679-I760 WeakPolarHBondContact CA-O 3.44Å; V679-I760 HydrophobicContact CB-CB 4.4Å; V679-I760 HydrophobicContact CG2-CB 4.28Å; V679-I760 HydrophobicContact CG2-CG2 4.29Å |
| 680 | V | 92 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 100.4 | 161.7 | -178.1 | 0 | 0 | 0 | 0 | 106.3 | Q744 A747 I748 N751 I760 L761 D762 A764 L780 | V680-Q744 HydrophobicContact CG1-CG 4.42Å; V680-A747 HydrophobicContact CG1-CB 4.33Å; V680-I748 HydrophobicContact CG1-CG1 4.05Å; V680-I748 HydrophobicContact CG2-CG1 4.21Å; V680-N751 HydrophobicContact CG2-CB 4.12Å; V680-I760 PolarHBondContact N-O 3.26Å; V680-L761 HydrophobicContact CB-CD2 3.83Å; V680-L761 HydrophobicContact CG2-CD2 3.73Å; V680-D762 PolarHBondContact O-N 3.41Å; V680-A764 HydrophobicContact CG1-CB 4.21Å; V680-L780 HydrophobicContact CG2-CD2 4.48Å |
| 681 | P | 90.1 | Very high | 92.4 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | trans | -76.1 | 159.2 | -176.4 | 32.9 | -36.7 | 0 | 0 | 0 | 111.5 | D762 | P681-D762 CarbonylContact C-O 3.58Š| ||
| 682 | Q | 85 | Confident | 92.6 | Very high | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -58.1 | -64.7 | 173.1 | -179.5 | 176.4 | 27.3 | 0 | 0 | 110.7 | T684 D762 E763 S766 | Q682-T684 PolarHBondContact O-N 3.31Å; Q682-D762 WeakPolarHBondContact CA-O 3.25Å; Q682-D762 WeakPolarHBondContact CB-O 3.34Å; Q682-D762 PolarHBondContact N-O 3.25Å; Q682-E763 HydrophobicContact CB-CB 4.12Å; Q682-E763 HydrophobicContact CG-CB 4.02Å; Q682-E763 PolarHBondContact NE2-OE2 3.34Å; Q682-S766 PolarHBondContact NE2-OG 2.84Å |
| 683 | D | 82.3 | Confident | 92.7 | Very high | 118 Ų | 118 | 48.5 Ų | 48.5 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -86.5 | 88.5 | 171.2 | -79.6 | -15.8 | 0 | 0 | 0 | 109.4 | V685 | D683-V685 PolarHBondContact O-N 3.38Š|
| 684 | T | 87.6 | Confident | 92.7 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | trans | -59 | 127.8 | 168.9 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | Q682 L686 K743 A747 | Q682-T684 PolarHBondContact O-N 3.31Å; T684-L686 HydrophobicContact CG2-CD2 3.65Å; T684-L686 HydrophobicContact CG2-CG 4.12Å; T684-K743 HydrophobicContact CG2-CD 4.39Å; T684-K743 HydrophobicContact CG2-CG 3.86Å; T684-K743 VanDerWaalsContact O-CD 3.27Å; T684-K743 WeakPolarHBondContact O-CD 3.22Å; T684-K743 WeakPolarHBondContact O-CE 3.14Å; T684-K743 PolarHBondContact O-NZ 2.76Å; T684-A747 HydrophobicContact CG2-CB 3.63Å; T684-A747 VanDerWaalsContact OG1-CB 3.31Å; T684-A747 WeakPolarHBondContact OG1-CB 3.13Å | ||
| 685 | V | 89.3 | Confident | 92.8 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 42% | 0.418 | 23% | 0.227 | S | C | . | . | trans | -111.2 | 127.9 | 169.9 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | D683 R734 R750 | D683-V685 PolarHBondContact O-N 3.38Å; V685-R734 HydrophobicContact CG1-CB 4.25Å; V685-R734 HydrophobicContact CG1-CG 4.06Å; V685-R750 PolarHBondContact O-NH1 3.03Å | ||
| 686 | L | 92.7 | Very high | 93 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -108.3 | 147.4 | 177.4 | -57.4 | -176.5 | 0 | 0 | 0 | 109.9 | T684 N694 V731 R734 L738 K743 V746 R750 | T684-L686 HydrophobicContact CG2-CD2 3.65Å; T684-L686 HydrophobicContact CG2-CG 4.12Å; L686-N694 WeakPolarHBondContact CA-OD1 3.12Å; L686-N694 WeakPolarHBondContact CB-OD1 3.14Å; L686-N694 HydrophobicContact CD2-CB 4.35Å; L686-V731 HydrophobicContact CB-CG2 3.85Å; L686-V731 HydrophobicContact CD1-CB 4.37Å; L686-V731 HydrophobicContact CD1-CG1 4.35Å; L686-V731 HydrophobicContact CD1-CG2 4.22Å; L686-R734 CarbonylContact O-C 3.3Å; L686-R734 VanDerWaalsContact O-CA 3.24Å; L686-R734 WeakPolarHBondContact O-CA 3.4Å; L686-R734 PolarHBondContact O-N 3.32Å; L686-L738 HydrophobicContact CD1-CD1 3.77Å; L686-K743 HydrophobicContact CD1-CG 3.83Å; L686-K743 HydrophobicContact CG-CG 4Å; L686-V746 HydrophobicContact CD1-CB 4.32Å; L686-V746 HydrophobicContact CD1-CG1 4.17Å; L686-V746 HydrophobicContact CD2-CB 4.38Å; L686-V746 HydrophobicContact CD2-CG1 3.8Å; L686-R750 VanDerWaalsContact CD2-NH2 3.29Å | ||
| 687 | F | 94.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 47 Ų | 47 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | trans | -69.2 | 148.1 | 171.3 | -66 | -81.8 | 0 | 0 | 0 | 109.5 | D689 Y693 N694 Y697 V731 | F687-D689 HydrophobicContact CB-CB 4.35Å; F687-D689 PolarHBondContact O-N 2.87Å; F687-Y693 HydrophobicContact CB-CD1 4.28Å; F687-Y693 HydrophobicContact CB-CE1 4Å; F687-Y693 AromaticContact CD2-CE1 3.93Å; F687-Y693 HydrophobicContact CD2-CE1 3.93Å; F687-Y693 AromaticContact CG-CE1 3.99Å; F687-Y693 HydrophobicContact CG-CE1 3.99Å; F687-N694 PolarHBondContact N-OD1 3.4Å; F687-N694 PolarHBondContact O-ND2 3.02Å; F687-Y697 HydrophobicContact CD2-CD2 4.11Å; F687-Y697 HydrophobicContact CD2-CE2 4.24Å; F687-Y697 HydrophobicContact CE2-CD1 4.13Å; F687-Y697 AromaticContact CE2-CD2 3.55Å; F687-Y697 HydrophobicContact CE2-CD2 3.55Å; F687-Y697 AromaticContact CE2-CE1 3.95Å; F687-Y697 HydrophobicContact CE2-CE1 3.95Å; F687-Y697 AromaticContact CE2-CE2 3.33Å; F687-Y697 HydrophobicContact CE2-CE2 3.33Å; F687-Y697 AromaticContact CE2-CG 3.95Å; F687-Y697 HydrophobicContact CE2-CG 3.95Å; F687-Y697 AromaticContact CE2-CZ 3.55Å; F687-Y697 HydrophobicContact CZ-CD2 4.27Å; F687-Y697 HydrophobicContact CZ-CE1 4.33Å; F687-Y697 AromaticContact CZ-CE2 3.59Å; F687-Y697 HydrophobicContact CZ-CE2 3.59Å; F687-Y697 AromaticContact CZ-CZ 3.62Å; F687-V731 WeakPolarHBondContact O-CG2 3.49Å | ||
| 688 | N | 94.4 | Very high | 92.9 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -72.3 | 67.7 | 172.8 | -173.5 | 21.1 | 0 | 0 | 0 | 110.7 | I730 G732 | N688-I730 WeakPolarHBondContact OD1-CG2 3.27Å; N688-G732 VanDerWaalsContact OD1-C 3.23Å; N688-G732 WeakPolarHBondContact OD1-CA 3.48Å |
| 689 | D | 95.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 33% | 0.332 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -148.4 | -175.8 | -174.1 | -148.4 | -39.9 | 0 | 0 | 0 | 108.6 | F687 Y693 I730 V731 | F687-D689 HydrophobicContact CB-CB 4.35Å; F687-D689 PolarHBondContact O-N 2.87Å; D689-Y693 HydrophobicContact CB-CD1 3.65Å; D689-Y693 HydrophobicContact CB-CE1 4.34Å; D689-Y693 HydrophobicContact CB-CG 3.91Å; D689-I730 WeakPolarHBondContact O-CA 3.35Å; D689-V731 PolarHBondContact O-N 2.88Å |
| 690 | T | 96.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 10% | 0.104 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 156.9 | -179 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | Y692 Y693 N694 T729 I730 | T690-Y692 PolarHBondContact O-N 3.43Å; T690-Y693 PolarHBondContact O-N 3.05Å; T690-Y693 WeakPolarHBondContact OG1-CB 3.29Å; T690-Y693 PolarHBondContact OG1-N 3.4Å; T690-N694 PolarHBondContact O-N 2.99Å; T690-N694 PolarHBondContact O-ND2 3.44Å; T690-T729 CarbonylContact C-O 3.58Å; T690-T729 VanDerWaalsContact CA-O 3.3Å; T690-T729 WeakPolarHBondContact CA-O 3.3Å; T690-I730 HydrophobicContact CG2-CG1 4.34Å |
| 691 | I | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 170.8 | -64.6 | 171.1 | 0 | 0 | 0 | 109.5 | Y693 N694 I695 I720 F723 Y727 T729 V731 L738 V746 | I691-Y693 PolarHBondContact O-N 3.43Å; I691-N694 PolarHBondContact O-N 3.17Å; I691-I695 HydrophobicContact CG2-CD1 3.83Å; I691-I695 HydrophobicContact CG2-CG1 4.28Å; I691-I695 WeakPolarHBondContact O-CG1 3.34Å; I691-I695 PolarHBondContact O-N 2.9Å; I691-I720 HydrophobicContact CD1-CG1 4.14Å; I691-I720 HydrophobicContact CG2-CD1 3.65Å; I691-I720 HydrophobicContact CG2-CG1 4.1Å; I691-F723 HydrophobicContact CD1-CD2 3.5Å; I691-F723 HydrophobicContact CD1-CE2 3.45Å; I691-F723 VanDerWaalsContact CD1-CE2 3.45Å; I691-Y727 PolarHBondContact N-O 3.16Å; I691-T729 HydrophobicContact CD1-CG2 4.44Å; I691-T729 PolarHBondContact N-O 3.34Å; I691-V731 HydrophobicContact CB-CG1 4.5Å; I691-V731 HydrophobicContact CD1-CG1 4.47Å; I691-V731 HydrophobicContact CG1-CG1 3.46Å; I691-V731 VanDerWaalsContact CG1-CG1 3.46Å; I691-L738 HydrophobicContact CD1-CD2 4.34Å; I691-V746 HydrophobicContact CG2-CG2 4.32Å |
| 692 | Y | 96 | Very high | 93 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -50.8 | -53.8 | 172.9 | 179.3 | -94.7 | 0 | 0 | 0 | 112.1 | T690 N694 I695 R696 R704 I707 Y727 | T690-Y692 PolarHBondContact O-N 3.43Å; Y692-N694 VanDerWaalsContact C-N 3.33Å; Y692-N694 PolarHBondContact O-N 2.88Å; Y692-I695 PolarHBondContact O-N 2.78Å; Y692-R696 VanDerWaalsContact O-CB 3.25Å; Y692-R696 WeakPolarHBondContact O-CB 3.36Å; Y692-R696 PolarHBondContact O-N 3.27Å; Y692-R704 HydrophobicContact CE2-CB 4.26Å; Y692-R704 HydrophobicContact CE2-CG 4.2Å; Y692-I707 HydrophobicContact CD2-CD1 3.77Å; Y692-I707 HydrophobicContact CD2-CG2 4.19Å; Y692-I707 HydrophobicContact CE1-CD1 4.33Å; Y692-I707 HydrophobicContact CE2-CD1 3.2Å; Y692-I707 HydrophobicContact CE2-CG1 4.44Å; Y692-Y727 PolarHBondContact N-O 3.45Å |
| 693 | Y | 96.2 | Very high | 93.4 | Very high | 93 Ų | 93 | 61 Ų | 61 | 37% | 0.365 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 178.6 | 179.8 | -88.6 | 0 | 0 | 0 | 111.7 | F687 D689 T690 I691 I695 R696 Y697 | F687-Y693 HydrophobicContact CB-CD1 4.28Å; F687-Y693 HydrophobicContact CB-CE1 4Å; F687-Y693 AromaticContact CD2-CE1 3.93Å; F687-Y693 HydrophobicContact CD2-CE1 3.93Å; F687-Y693 AromaticContact CG-CE1 3.99Å; F687-Y693 HydrophobicContact CG-CE1 3.99Å; D689-Y693 HydrophobicContact CB-CD1 3.65Å; D689-Y693 HydrophobicContact CB-CE1 4.34Å; D689-Y693 HydrophobicContact CB-CG 3.91Å; T690-Y693 PolarHBondContact O-N 3.05Å; T690-Y693 WeakPolarHBondContact OG1-CB 3.29Å; T690-Y693 PolarHBondContact OG1-N 3.4Å; I691-Y693 PolarHBondContact O-N 3.43Å; Y693-I695 PolarHBondContact O-N 3.09Å; Y693-R696 PolarHBondContact O-N 3.43Å; Y693-Y697 HydrophobicContact CE1-CD2 4.24Å; Y693-Y697 PolarHBondContact O-N 3.42Å |
| 694 | N | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.6 | -34.6 | -177.6 | -86.8 | -76.3 | 0 | 0 | 0 | 113.6 | L686 F687 T690 I691 Y692 V746 R750 | L686-N694 WeakPolarHBondContact CA-OD1 3.12Å; L686-N694 WeakPolarHBondContact CB-OD1 3.14Å; L686-N694 HydrophobicContact CD2-CB 4.35Å; F687-N694 PolarHBondContact N-OD1 3.4Å; F687-N694 PolarHBondContact O-ND2 3.02Å; T690-N694 PolarHBondContact O-N 2.99Å; T690-N694 PolarHBondContact O-ND2 3.44Å; I691-N694 PolarHBondContact O-N 3.17Å; Y692-N694 VanDerWaalsContact C-N 3.33Å; Y692-N694 PolarHBondContact O-N 2.88Å; N694-V746 HydrophobicContact CB-CG1 4.05Å; N694-R750 PolarHBondContact O-NE 3.44Å; N694-R750 PolarHBondContact O-NH2 3.06Å; N694-R750 PolarHBondContact OD1-NH2 2.84Å |
| 695 | I | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.5 | -48 | 173.1 | -62.6 | 173.5 | 0 | 0 | 0 | 109.8 | I691 Y692 Y693 Y697 G698 I707 V710 A711 I720 Y727 V746 A749 L753 | I691-I695 HydrophobicContact CG2-CD1 3.83Å; I691-I695 HydrophobicContact CG2-CG1 4.28Å; I691-I695 WeakPolarHBondContact O-CG1 3.34Å; I691-I695 PolarHBondContact O-N 2.9Å; Y692-I695 PolarHBondContact O-N 2.78Å; Y693-I695 PolarHBondContact O-N 3.09Å; I695-Y697 PolarHBondContact O-N 2.75Å; I695-G698 PolarHBondContact O-N 3.23Å; I695-I707 HydrophobicContact CB-CG2 4.13Å; I695-I707 HydrophobicContact CD1-CG2 4.34Å; I695-I707 HydrophobicContact CG2-CG1 4.45Å; I695-I707 HydrophobicContact CG2-CG2 3.9Å; I695-V710 HydrophobicContact CG2-CG2 3.71Å; I695-A711 HydrophobicContact CD1-CB 4.29Å; I695-I720 HydrophobicContact CD1-CD1 4.23Å; I695-Y727 HydrophobicContact CD1-CE1 4.35Å; I695-V746 HydrophobicContact CG1-CG1 4Å; I695-A749 HydrophobicContact CD1-CB 4.22Å; I695-A749 HydrophobicContact CG1-CB 4.18Å; I695-A749 HydrophobicContact CG2-CB 4.12Å; I695-L753 HydrophobicContact CG2-CD2 4.29Å; I695-L753 WeakPolarHBondContact O-CD2 3.3Å |
| 696 | R | 96.7 | Very high | 94.5 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.3 | -24.5 | 179 | -171.3 | 173.9 | 171.5 | -151.8 | -1.8 | 113.2 | Y692 Y693 G698 R699 Q700 I707 | Y692-R696 VanDerWaalsContact O-CB 3.25Å; Y692-R696 WeakPolarHBondContact O-CB 3.36Å; Y692-R696 PolarHBondContact O-N 3.27Å; Y693-R696 PolarHBondContact O-N 3.43Å; R696-G698 PolarHBondContact O-N 2.99Å; R696-R699 CarbonylContact O-C 3.55Å; R696-R699 PolarHBondContact O-N 2.91Å; R696-Q700 VanDerWaalsContact CZ-O 3.3Å; R696-Q700 PolarHBondContact NE-O 3.16Å; R696-Q700 PolarHBondContact NH2-O 3.32Å; R696-Q700 PolarHBondContact O-N 2.85Å; R696-I707 HydrophobicContact CB-CD1 3.76Å; R696-I707 HydrophobicContact CG-CD1 4.04Å |
| 697 | Y | 95.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -26.5 | 174.6 | -159.7 | -94.4 | 0 | 0 | 0 | 113.6 | F687 Y693 I695 R699 | F687-Y697 HydrophobicContact CD2-CD2 4.11Å; F687-Y697 HydrophobicContact CD2-CE2 4.24Å; F687-Y697 HydrophobicContact CE2-CD1 4.13Å; F687-Y697 AromaticContact CE2-CD2 3.55Å; F687-Y697 HydrophobicContact CE2-CD2 3.55Å; F687-Y697 AromaticContact CE2-CE1 3.95Å; F687-Y697 HydrophobicContact CE2-CE1 3.95Å; F687-Y697 AromaticContact CE2-CE2 3.33Å; F687-Y697 HydrophobicContact CE2-CE2 3.33Å; F687-Y697 AromaticContact CE2-CG 3.95Å; F687-Y697 HydrophobicContact CE2-CG 3.95Å; F687-Y697 AromaticContact CE2-CZ 3.55Å; F687-Y697 HydrophobicContact CZ-CD2 4.27Å; F687-Y697 HydrophobicContact CZ-CE1 4.33Å; F687-Y697 AromaticContact CZ-CE2 3.59Å; F687-Y697 HydrophobicContact CZ-CE2 3.59Å; F687-Y697 AromaticContact CZ-CZ 3.62Å; Y693-Y697 HydrophobicContact CE1-CD2 4.24Å; Y693-Y697 PolarHBondContact O-N 3.42Å; I695-Y697 PolarHBondContact O-N 2.75Å; Y697-R699 VanDerWaalsContact C-N 3.33Å; Y697-R699 PolarHBondContact O-N 3.09Å |
| 698 | G | 91.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -34.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I695 R696 K754 | I695-G698 PolarHBondContact O-N 3.23Å; R696-G698 PolarHBondContact O-N 2.99Å; G698-K754 WeakPolarHBondContact O-CB 3.24Å |
| 699 | R | 94.2 | Very high | 94.6 | Very high | 99 Ų | 99 | 63.9 Ų | 63.9 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | trans | -155.6 | 106.4 | 175.5 | -177.5 | 166.9 | 60.5 | 106.3 | 7.2 | 109.7 | R696 Y697 S701 A702 D706 L753 | R696-R699 CarbonylContact O-C 3.55Å; R696-R699 PolarHBondContact O-N 2.91Å; Y697-R699 VanDerWaalsContact C-N 3.33Å; Y697-R699 PolarHBondContact O-N 3.09Å; R699-S701 PolarHBondContact O-N 3.31Å; R699-S701 VanDerWaalsContact O-N 3.16Å; R699-A702 HydrophobicContact CB-CB 4.36Å; R699-A702 WeakPolarHBondContact O-CB 3.43Å; R699-A702 PolarHBondContact O-N 3.4Å; R699-D706 IonicContact CZ-OD2 3.42Å; R699-D706 IonicContact NH1-OD2 3.78Å; R699-D706 IonicContact NH2-OD2 2.63Å; R699-D706 PolarHBondContact NH2-OD2 3Å; R699-L753 HydrophobicContact CB-CD2 4.4Å; R699-L753 HydrophobicContact CB-CG 4.11Å | ||
| 700 | Q | 92.1 | Very high | 94.4 | Very high | 148 Ų | 148 | 61.9 Ų | 61.9 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.6 | -173.3 | -62.1 | -177.6 | 26.5 | 0 | 0 | 113.9 | R696 A702 | R696-Q700 VanDerWaalsContact CZ-O 3.3Å; R696-Q700 PolarHBondContact NE-O 3.16Å; R696-Q700 PolarHBondContact NH2-O 3.32Å; R696-Q700 PolarHBondContact O-N 2.85Å; Q700-A702 VanDerWaalsContact C-N 3.28Å; Q700-A702 PolarHBondContact O-N 2.83Å |
| 701 | S | 91.8 | Very high | 94.3 | Very high | 89 Ų | 89 | 61.1 Ų | 61.1 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.5 | 177.6 | 70.5 | 0 | 0 | 0 | 0 | 114 | R699 | R699-S701 PolarHBondContact O-N 3.31Å; R699-S701 VanDerWaalsContact O-N 3.16Å |
| 702 | A | 93.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | trans | -73.4 | 137 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R699 Q700 D706 L753 | R699-A702 HydrophobicContact CB-CB 4.36Å; R699-A702 WeakPolarHBondContact O-CB 3.43Å; R699-A702 PolarHBondContact O-N 3.4Å; Q700-A702 VanDerWaalsContact C-N 3.28Å; Q700-A702 PolarHBondContact O-N 2.83Å; A702-D706 HydrophobicContact CB-CB 4.2Å; A702-L753 HydrophobicContact CB-CD1 3.81Å; A702-L753 HydrophobicContact CB-CD2 3.79Å; A702-L753 HydrophobicContact CB-CG 4.07Å | ||
| 703 | D | 93.2 | Very high | 93.9 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | trans | -80.2 | 167.6 | 174.8 | -70.7 | -32.3 | 0 | 0 | 0 | 111.4 | T705 D706 I707 | D703-T705 PolarHBondContact O-N 3.25Å; D703-D706 PolarHBondContact O-N 2.95Å; D703-I707 PolarHBondContact O-N 3.1Å | ||
| 704 | R | 93.6 | Very high | 93.5 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | -179.2 | -174.9 | 171.4 | 179.5 | 154.9 | 4.1 | 112.9 | Y692 I707 E708 | Y692-R704 HydrophobicContact CE2-CB 4.26Å; Y692-R704 HydrophobicContact CE2-CG 4.2Å; R704-I707 PolarHBondContact O-N 3.44Å; R704-E708 IonicContact NE-OE1 3.78Å; R704-E708 PolarHBondContact NE-OE1 3.03Å; R704-E708 WeakPolarHBondContact O-CG 3.43Å; R704-E708 PolarHBondContact O-N 2.88Å |
| 705 | T | 94.2 | Very high | 93.2 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.9 | 49 | 0 | 0 | 0 | 0 | 112.1 | D703 I707 E708 Q709 | D703-T705 PolarHBondContact O-N 3.25Å; T705-I707 VanDerWaalsContact C-N 3.29Å; T705-I707 PolarHBondContact O-N 3.09Å; T705-E708 PolarHBondContact O-N 3.42Å; T705-Q709 WeakPolarHBondContact O-CG 3.46Å; T705-Q709 PolarHBondContact O-N 3.4Å |
| 706 | D | 94.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 178.1 | -66.3 | -10.6 | 0 | 0 | 0 | 110.5 | R699 A702 D703 Q709 V710 L753 | R699-D706 IonicContact CZ-OD2 3.42Å; R699-D706 IonicContact NH1-OD2 3.78Å; R699-D706 IonicContact NH2-OD2 2.63Å; R699-D706 PolarHBondContact NH2-OD2 3Å; A702-D706 HydrophobicContact CB-CB 4.2Å; D703-D706 PolarHBondContact O-N 2.95Å; D706-Q709 PolarHBondContact O-N 3.01Å; D706-V710 WeakPolarHBondContact O-CG1 3.41Å; D706-V710 WeakPolarHBondContact O-CG2 3.47Å; D706-V710 PolarHBondContact O-N 3.45Å; D706-L753 HydrophobicContact CB-CD1 3.91Å |
| 707 | I | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.3 | -68.3 | 164.2 | 0 | 0 | 0 | 110.9 | Y692 I695 R696 D703 R704 T705 V710 A711 Y727 L753 | Y692-I707 HydrophobicContact CD2-CD1 3.77Å; Y692-I707 HydrophobicContact CD2-CG2 4.19Å; Y692-I707 HydrophobicContact CE1-CD1 4.33Å; Y692-I707 HydrophobicContact CE2-CD1 3.2Å; Y692-I707 HydrophobicContact CE2-CG1 4.44Å; I695-I707 HydrophobicContact CB-CG2 4.13Å; I695-I707 HydrophobicContact CD1-CG2 4.34Å; I695-I707 HydrophobicContact CG2-CG1 4.45Å; I695-I707 HydrophobicContact CG2-CG2 3.9Å; R696-I707 HydrophobicContact CB-CD1 3.76Å; R696-I707 HydrophobicContact CG-CD1 4.04Å; D703-I707 PolarHBondContact O-N 3.1Å; R704-I707 PolarHBondContact O-N 3.44Å; T705-I707 VanDerWaalsContact C-N 3.29Å; T705-I707 PolarHBondContact O-N 3.09Å; I707-V710 WeakPolarHBondContact O-CG2 3.34Å; I707-A711 VanDerWaalsContact O-CB 3.28Å; I707-A711 WeakPolarHBondContact O-CB 3.14Å; I707-A711 PolarHBondContact O-N 3.31Å; I707-Y727 HydrophobicContact CG2-CD1 4.42Å; I707-Y727 HydrophobicContact CG2-CE1 4.14Å; I707-L753 HydrophobicContact CG1-CD2 4.16Å |
| 708 | E | 95.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.7 | -73.4 | 170.8 | -168.4 | 0 | 0 | 111.7 | R704 T705 A711 I712 Y727 | R704-E708 IonicContact NE-OE1 3.78Å; R704-E708 PolarHBondContact NE-OE1 3.03Å; R704-E708 WeakPolarHBondContact O-CG 3.43Å; R704-E708 PolarHBondContact O-N 2.88Å; T705-E708 PolarHBondContact O-N 3.42Å; E708-A711 PolarHBondContact O-N 3.48Å; E708-I712 VanDerWaalsContact O-CG1 3.28Å; E708-I712 WeakPolarHBondContact O-CG1 3.27Å; E708-I712 PolarHBondContact O-N 3.4Å; E708-Y727 WeakPolarHBondContact CA-OH 3.15Å; E708-Y727 HydrophobicContact CG-CE2 3.78Å |
| 709 | Q | 93.4 | Very high | 92.5 | Very high | 126 Ų | 126 | 66.8 Ų | 66.8 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 177 | -74 | 178.5 | 3.6 | 0 | 0 | 112.6 | T705 D706 A711 I712 A713 | T705-Q709 WeakPolarHBondContact O-CG 3.46Å; T705-Q709 PolarHBondContact O-N 3.4Å; D706-Q709 PolarHBondContact O-N 3.01Å; Q709-A711 VanDerWaalsContact C-N 3.31Å; Q709-A711 PolarHBondContact O-N 3.15Å; Q709-I712 PolarHBondContact O-N 2.99Å; Q709-A713 WeakPolarHBondContact O-CB 3.5Å; Q709-A713 PolarHBondContact O-N 3.25Å |
| 710 | V | 92.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.4 | -30.7 | 177.4 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | I695 D706 I707 A713 A714 A749 L752 L753 | I695-V710 HydrophobicContact CG2-CG2 3.71Å; D706-V710 WeakPolarHBondContact O-CG1 3.41Å; D706-V710 WeakPolarHBondContact O-CG2 3.47Å; D706-V710 PolarHBondContact O-N 3.45Å; I707-V710 WeakPolarHBondContact O-CG2 3.34Å; V710-A713 PolarHBondContact O-N 3.32Å; V710-A714 VanDerWaalsContact O-CB 3.27Å; V710-A714 WeakPolarHBondContact O-CB 3.26Å; V710-A714 PolarHBondContact O-N 3.4Å; V710-A749 HydrophobicContact CG2-CB 4.26Å; V710-L752 HydrophobicContact CB-CB 4.07Å; V710-L752 HydrophobicContact CG1-CB 4.03Å; V710-L753 HydrophobicContact CG1-CB 4.18Å; V710-L753 HydrophobicContact CG1-CD1 3.93Å; V710-L753 HydrophobicContact CG2-CB 4.2Å; V710-L753 HydrophobicContact CG2-CD1 4.17Å |
| 711 | A | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -34.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I695 I707 E708 Q709 D715 I716 H717 I720 Y727 | I695-A711 HydrophobicContact CD1-CB 4.29Å; I707-A711 VanDerWaalsContact O-CB 3.28Å; I707-A711 WeakPolarHBondContact O-CB 3.14Å; I707-A711 PolarHBondContact O-N 3.31Å; E708-A711 PolarHBondContact O-N 3.48Å; Q709-A711 VanDerWaalsContact C-N 3.31Å; Q709-A711 PolarHBondContact O-N 3.15Å; A711-D715 PolarHBondContact O-N 3.27Å; A711-I716 HydrophobicContact CB-CG2 3.98Å; A711-I716 PolarHBondContact O-N 2.76Å; A711-H717 HydrophobicContact CB-CB 4.16Å; A711-H717 PolarHBondContact O-N 2.71Å; A711-H717 VanDerWaalsContact O-N 3.08Å; A711-I720 HydrophobicContact CB-CD1 4.36Å; A711-Y727 HydrophobicContact CB-CE1 4.19Å; A711-Y727 VanDerWaalsContact CB-OH 3.32Å; A711-Y727 WeakPolarHBondContact CB-OH 3.49Å |
| 712 | I | 93 | Very high | 92.7 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.3 | -47.8 | 171.1 | -67.4 | 163.1 | 0 | 0 | 0 | 109.5 | E708 Q709 A714 D715 H717 | E708-I712 VanDerWaalsContact O-CG1 3.28Å; E708-I712 WeakPolarHBondContact O-CG1 3.27Å; E708-I712 PolarHBondContact O-N 3.4Å; Q709-I712 PolarHBondContact O-N 2.99Å; I712-A714 PolarHBondContact O-N 2.89Å; I712-D715 PolarHBondContact O-N 3.03Å; I712-H717 HydrophobicContact CB-CB 4.39Å; I712-H717 HydrophobicContact CG1-CB 3.62Å |
| 713 | A | 89.1 | Confident | 92.7 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -31.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q709 V710 D715 L752 | Q709-A713 WeakPolarHBondContact O-CB 3.5Å; Q709-A713 PolarHBondContact O-N 3.25Å; V710-A713 PolarHBondContact O-N 3.32Å; A713-D715 VanDerWaalsContact C-N 3.34Å; A713-L752 HydrophobicContact CB-CD1 3.83Å |
| 714 | A | 89 | Confident | 92.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V710 I712 I716 R745 I748 A749 L752 | V710-A714 VanDerWaalsContact O-CB 3.27Å; V710-A714 WeakPolarHBondContact O-CB 3.26Å; V710-A714 PolarHBondContact O-N 3.4Å; I712-A714 PolarHBondContact O-N 2.89Å; A714-I716 VanDerWaalsContact C-N 3.34Å; A714-I716 PolarHBondContact O-N 3.38Å; A714-R745 WeakPolarHBondContact O-CD 3.49Å; A714-R745 WeakPolarHBondContact O-CG 3.49Å; A714-I748 HydrophobicContact CB-CB 4.26Å; A714-I748 HydrophobicContact CB-CG2 3.87Å; A714-A749 HydrophobicContact CB-CB 3.76Å; A714-L752 HydrophobicContact CB-CD1 4.31Å |
| 715 | D | 89.1 | Confident | 92.5 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 42 | 179.5 | -169.9 | 47.6 | 0 | 0 | 0 | 114 | A711 I712 A713 R745 | A711-D715 PolarHBondContact O-N 3.27Å; I712-D715 PolarHBondContact O-N 3.03Å; A713-D715 VanDerWaalsContact C-N 3.34Å; D715-R745 WeakPolarHBondContact O-CD 3.46Å; D715-R745 PolarHBondContact O-NH1 3.34Å; D715-R745 IonicContact OD2-NH1 3.86Å; D715-R745 PolarHBondContact OD2-NH1 3.4Å |
| 716 | I | 90.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | trans | -120.9 | -16.1 | 174.9 | -158.4 | -178.6 | 0 | 0 | 0 | 113.2 | A711 A714 R718 C719 I720 E742 R745 V746 | A711-I716 HydrophobicContact CB-CG2 3.98Å; A711-I716 PolarHBondContact O-N 2.76Å; A714-I716 VanDerWaalsContact C-N 3.34Å; A714-I716 PolarHBondContact O-N 3.38Å; I716-R718 VanDerWaalsContact C-N 3.31Å; I716-R718 PolarHBondContact O-N 3.37Å; I716-C719 HydrophobicContact CG1-CB 4.45Å; I716-C719 PolarHBondContact O-N 3.02Å; I716-C719 VanDerWaalsContact O-N 3.15Å; I716-I720 HydrophobicContact CB-CD1 4.39Å; I716-I720 HydrophobicContact CD1-CD1 4.34Å; I716-I720 HydrophobicContact CD1-CG1 4.39Å; I716-I720 HydrophobicContact CG1-CD1 4.17Å; I716-I720 HydrophobicContact CG1-CG1 4.08Å; I716-I720 HydrophobicContact CG2-CD1 3.75Å; I716-I720 WeakPolarHBondContact O-CG1 3.13Å; I716-I720 PolarHBondContact O-N 3.42Å; I716-E742 HydrophobicContact CD1-CB 4.45Å; I716-E742 VanDerWaalsContact CD1-O 3.3Å; I716-E742 WeakPolarHBondContact CD1-O 3.36Å; I716-R745 HydrophobicContact CB-CB 3.79Å; I716-R745 HydrophobicContact CD1-CB 3.91Å; I716-R745 HydrophobicContact CG1-CB 4.09Å; I716-R745 HydrophobicContact CG2-CB 4.46Å; I716-V746 HydrophobicContact CD1-CB 4.43Å; I716-V746 HydrophobicContact CD1-CG2 3.35Å | ||
| 717 | H | 93.7 | Very high | 92.6 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.8 | -46 | -176.8 | 179.5 | 54.4 | 0 | 0 | 0 | 113.9 | A711 I712 I720 L721 Y727 | A711-H717 HydrophobicContact CB-CB 4.16Å; A711-H717 PolarHBondContact O-N 2.71Å; A711-H717 VanDerWaalsContact O-N 3.08Å; I712-H717 HydrophobicContact CB-CB 4.39Å; I712-H717 HydrophobicContact CG1-CB 3.62Å; H717-I720 WeakPolarHBondContact O-CB 3.23Å; H717-I720 PolarHBondContact O-N 2.92Å; H717-L721 WeakPolarHBondContact O-CG 3.46Å; H717-L721 PolarHBondContact O-N 3.31Å; H717-Y727 AromaticContact ND1-CE2 3.8Å; H717-Y727 AromaticContact ND1-CZ 3.65Å; H717-Y727 PolarHBondContact ND1-OH 2.98Å |
| 718 | R | 91.5 | Very high | 92.6 | Very high | 197 Ų | 197 | 65.1 Ų | 65.1 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | -179.9 | -67.3 | -178.5 | 177.1 | -180 | -1.1 | 112.1 | I716 I720 L721 D722 | I716-R718 VanDerWaalsContact C-N 3.31Å; I716-R718 PolarHBondContact O-N 3.37Å; R718-I720 PolarHBondContact O-N 3.11Å; R718-L721 WeakPolarHBondContact O-CB 3.25Å; R718-L721 PolarHBondContact O-N 3.1Å; R718-D722 PolarHBondContact O-N 3.12Å |
| 719 | C | 90.2 | Very high | 92.6 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 176 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | I716 L721 D722 F723 | I716-C719 HydrophobicContact CG1-CB 4.45Å; I716-C719 PolarHBondContact O-N 3.02Å; I716-C719 VanDerWaalsContact O-N 3.15Å; C719-L721 PolarHBondContact O-N 3.1Å; C719-D722 PolarHBondContact O-N 2.94Å; C719-F723 WeakPolarHBondContact O-CD1 3.39Å; C719-F723 WeakPolarHBondContact O-CG 3.4Å; C719-F723 PolarHBondContact O-N 2.86Å; C719-F723 WeakPolarHBondContact SG-CZ 3.46Å |
| 720 | I | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 174.5 | -66.3 | 167.3 | 0 | 0 | 0 | 111.1 | I691 I695 A711 I716 H717 R718 D722 F723 G726 Y727 | I691-I720 HydrophobicContact CD1-CG1 4.14Å; I691-I720 HydrophobicContact CG2-CD1 3.65Å; I691-I720 HydrophobicContact CG2-CG1 4.1Å; I695-I720 HydrophobicContact CD1-CD1 4.23Å; A711-I720 HydrophobicContact CB-CD1 4.36Å; I716-I720 HydrophobicContact CB-CD1 4.39Å; I716-I720 HydrophobicContact CD1-CD1 4.34Å; I716-I720 HydrophobicContact CD1-CG1 4.39Å; I716-I720 HydrophobicContact CG1-CD1 4.17Å; I716-I720 HydrophobicContact CG1-CG1 4.08Å; I716-I720 HydrophobicContact CG2-CD1 3.75Å; I716-I720 WeakPolarHBondContact O-CG1 3.13Å; I716-I720 PolarHBondContact O-N 3.42Å; H717-I720 WeakPolarHBondContact O-CB 3.23Å; H717-I720 PolarHBondContact O-N 2.92Å; R718-I720 PolarHBondContact O-N 3.11Å; I720-D722 VanDerWaalsContact C-N 3.27Å; I720-D722 PolarHBondContact O-N 2.84Å; I720-F723 HydrophobicContact CG1-CE2 4.4Å; I720-F723 WeakPolarHBondContact O-CB 3.16Å; I720-F723 PolarHBondContact O-N 3.01Å; I720-F723 VanDerWaalsContact O-N 3.15Å; I720-G726 VanDerWaalsContact CG2-C 3.43Å; I720-G726 CarbonylContact O-C 3.57Å; I720-G726 WeakPolarHBondContact O-CA 3.33Å; I720-Y727 HydrophobicContact CD1-CD1 4.18Å; I720-Y727 HydrophobicContact CD1-CE1 3.69Å; I720-Y727 HydrophobicContact CG2-CD1 3.8Å; I720-Y727 HydrophobicContact CG2-CD2 3.87Å; I720-Y727 HydrophobicContact CG2-CE1 4.02Å; I720-Y727 HydrophobicContact CG2-CE2 4.1Å; I720-Y727 HydrophobicContact CG2-CG 3.72Å |
| 721 | L | 93.8 | Very high | 92.7 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -29.7 | 178.6 | -67.5 | 176.9 | 0 | 0 | 0 | 112.9 | H717 R718 C719 F723 | H717-L721 WeakPolarHBondContact O-CG 3.46Å; H717-L721 PolarHBondContact O-N 3.31Å; R718-L721 WeakPolarHBondContact O-CB 3.25Å; R718-L721 PolarHBondContact O-N 3.1Å; C719-L721 PolarHBondContact O-N 3.1Å; L721-F723 PolarHBondContact O-N 3.27Å |
| 722 | D | 93.6 | Very high | 92.5 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71.9 | -19.6 | 175.3 | -61.3 | -29.8 | 0 | 0 | 0 | 112.3 | R718 C719 I720 | R718-D722 PolarHBondContact O-N 3.12Å; C719-D722 PolarHBondContact O-N 2.94Å; I720-D722 VanDerWaalsContact C-N 3.27Å; I720-D722 PolarHBondContact O-N 2.84Å |
| 723 | F | 93.5 | Very high | 92.2 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -69.2 | 140.8 | 174.9 | -60 | -32.3 | 0 | 0 | 0 | 111.1 | I691 C719 I720 L721 K725 G726 T729 L738 E742 | I691-F723 HydrophobicContact CD1-CD2 3.5Å; I691-F723 HydrophobicContact CD1-CE2 3.45Å; I691-F723 VanDerWaalsContact CD1-CE2 3.45Å; C719-F723 WeakPolarHBondContact O-CD1 3.39Å; C719-F723 WeakPolarHBondContact O-CG 3.4Å; C719-F723 PolarHBondContact O-N 2.86Å; C719-F723 WeakPolarHBondContact SG-CZ 3.46Å; I720-F723 HydrophobicContact CG1-CE2 4.4Å; I720-F723 WeakPolarHBondContact O-CB 3.16Å; I720-F723 PolarHBondContact O-N 3.01Å; I720-F723 VanDerWaalsContact O-N 3.15Å; L721-F723 PolarHBondContact O-N 3.27Å; F723-K725 PolarHBondContact O-N 3.48Å; F723-G726 PolarHBondContact O-N 3.02Å; F723-T729 HydrophobicContact CB-CG2 4.37Å; F723-T729 WeakPolarHBondContact CB-OG1 3.49Å; F723-T729 HydrophobicContact CD2-CG2 4.31Å; F723-T729 HydrophobicContact CG-CG2 4.47Å; F723-L738 HydrophobicContact CE2-CD2 3.81Å; F723-L738 HydrophobicContact CZ-CD2 3.77Å; F723-E742 HydrophobicContact CZ-CG 4.48Å |
| 724 | P | 90.3 | Very high | 92.1 | Very high | 138 Ų | 138 | 67 Ų | 67 | 90% | 0.896 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -25.4 | -176.7 | -28.5 | 34 | 0 | 0 | 0 | 115.6 | ||
| 725 | K | 93.7 | Very high | 92 | Very high | 146 Ų | 146 | 67 Ų | 67 | 64% | 0.635 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 9.8 | 179 | -65.6 | -173.9 | 177.2 | -174.6 | 0 | 113.4 | F723 Y727 E728 | F723-K725 PolarHBondContact O-N 3.48Å; K725-Y727 PolarHBondContact O-N 3.24Å; K725-E728 HydrophobicContact CB-CB 4.42Å; K725-E728 WeakPolarHBondContact O-CB 3.36Å; K725-E728 PolarHBondContact O-N 3.47Å |
| 726 | G | 94.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 70 Ų | 70 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | 56.9 | -133.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I720 F723 E728 T729 | I720-G726 VanDerWaalsContact CG2-C 3.43Å; I720-G726 CarbonylContact O-C 3.57Å; I720-G726 WeakPolarHBondContact O-CA 3.33Å; F723-G726 PolarHBondContact O-N 3.02Å; G726-E728 PolarHBondContact O-N 3.39Å; G726-T729 VanDerWaalsContact O-CB 3.27Å; G726-T729 WeakPolarHBondContact O-CB 3.18Å; G726-T729 PolarHBondContact O-N 3.28Å; G726-T729 VanDerWaalsContact O-N 3.17Å; G726-T729 PolarHBondContact O-OG1 3.05Å |
| 727 | Y | 95.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 77.2 Ų | 77.2 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -62.5 | -22.5 | 175 | -78.2 | -80.4 | 0 | 0 | 0 | 115.1 | I691 Y692 I695 I707 E708 A711 H717 I720 K725 T729 | I691-Y727 PolarHBondContact N-O 3.16Å; Y692-Y727 PolarHBondContact N-O 3.45Å; I695-Y727 HydrophobicContact CD1-CE1 4.35Å; I707-Y727 HydrophobicContact CG2-CD1 4.42Å; I707-Y727 HydrophobicContact CG2-CE1 4.14Å; E708-Y727 WeakPolarHBondContact CA-OH 3.15Å; E708-Y727 HydrophobicContact CG-CE2 3.78Å; A711-Y727 HydrophobicContact CB-CE1 4.19Å; A711-Y727 VanDerWaalsContact CB-OH 3.32Å; A711-Y727 WeakPolarHBondContact CB-OH 3.49Å; H717-Y727 AromaticContact ND1-CE2 3.8Å; H717-Y727 AromaticContact ND1-CZ 3.65Å; H717-Y727 PolarHBondContact ND1-OH 2.98Å; I720-Y727 HydrophobicContact CD1-CD1 4.18Å; I720-Y727 HydrophobicContact CD1-CE1 3.69Å; I720-Y727 HydrophobicContact CG2-CD1 3.8Å; I720-Y727 HydrophobicContact CG2-CD2 3.87Å; I720-Y727 HydrophobicContact CG2-CE1 4.02Å; I720-Y727 HydrophobicContact CG2-CE2 4.1Å; I720-Y727 HydrophobicContact CG2-CG 3.72Å; K725-Y727 PolarHBondContact O-N 3.24Å; Y727-T729 PolarHBondContact O-N 3.06Å |
| 728 | E | 96 | Very high | 91.6 | Very high | 94 Ų | 94 | 76.1 Ų | 76.1 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -83.8 | 6.8 | 178.2 | -57.2 | -59.4 | 156.5 | 0 | 0 | 112.4 | K725 G726 I730 | K725-E728 HydrophobicContact CB-CB 4.42Å; K725-E728 WeakPolarHBondContact O-CB 3.36Å; K725-E728 PolarHBondContact O-N 3.47Å; G726-E728 PolarHBondContact O-N 3.39Å; E728-I730 PolarHBondContact O-N 3.34Å |
| 729 | T | 95.6 | Very high | 91.5 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 16% | 0.16 | 36% | 0.355 | C | S | . | . | trans | -65.5 | 122.1 | 174.4 | -59 | 0 | 0 | 0 | 0 | 110 | T690 I691 F723 G726 Y727 | T690-T729 CarbonylContact C-O 3.58Å; T690-T729 VanDerWaalsContact CA-O 3.3Å; T690-T729 WeakPolarHBondContact CA-O 3.3Å; I691-T729 HydrophobicContact CD1-CG2 4.44Å; I691-T729 PolarHBondContact N-O 3.34Å; F723-T729 HydrophobicContact CB-CG2 4.37Å; F723-T729 WeakPolarHBondContact CB-OG1 3.49Å; F723-T729 HydrophobicContact CD2-CG2 4.31Å; F723-T729 HydrophobicContact CG-CG2 4.47Å; G726-T729 VanDerWaalsContact O-CB 3.27Å; G726-T729 WeakPolarHBondContact O-CB 3.18Å; G726-T729 PolarHBondContact O-N 3.28Å; G726-T729 VanDerWaalsContact O-N 3.17Å; G726-T729 PolarHBondContact O-OG1 3.05Å; Y727-T729 PolarHBondContact O-N 3.06Å | ||
| 730 | I | 95.1 | Very high | 91.3 | Very high | 76 Ų | 76 | 70 Ų | 70 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -78.8 | 122 | 176.5 | -60.2 | 168.7 | 0 | 0 | 0 | 108.8 | N688 D689 T690 E728 G732 K737 | N688-I730 WeakPolarHBondContact OD1-CG2 3.27Å; D689-I730 WeakPolarHBondContact O-CA 3.35Å; T690-I730 HydrophobicContact CG2-CG1 4.34Å; E728-I730 PolarHBondContact O-N 3.34Å; I730-G732 VanDerWaalsContact C-N 3.28Å; I730-G732 PolarHBondContact O-N 3.27Å; I730-K737 WeakPolarHBondContact O-CD 3.31Å |
| 731 | V | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -77.3 | -10 | -171.8 | -55.6 | 0 | 0 | 0 | 0 | 114.4 | L686 F687 D689 I691 G735 L736 K737 L738 | L686-V731 HydrophobicContact CB-CG2 3.85Å; L686-V731 HydrophobicContact CD1-CB 4.37Å; L686-V731 HydrophobicContact CD1-CG1 4.35Å; L686-V731 HydrophobicContact CD1-CG2 4.22Å; F687-V731 WeakPolarHBondContact O-CG2 3.49Å; D689-V731 PolarHBondContact O-N 2.88Å; I691-V731 HydrophobicContact CB-CG1 4.5Å; I691-V731 HydrophobicContact CD1-CG1 4.47Å; I691-V731 HydrophobicContact CG1-CG1 3.46Å; I691-V731 VanDerWaalsContact CG1-CG1 3.46Å; V731-G735 CarbonylContact O-C 3.59Å; V731-G735 VanDerWaalsContact O-CA 3.3Å; V731-G735 WeakPolarHBondContact O-CA 3.21Å; V731-L736 PolarHBondContact O-N 3.35Å; V731-K737 VanDerWaalsContact O-CB 3.32Å; V731-K737 WeakPolarHBondContact O-CB 3.34Å; V731-K737 PolarHBondContact O-N 2.82Å; V731-L738 HydrophobicContact CB-CD1 4.06Å; V731-L738 HydrophobicContact CB-CG 4.17Å; V731-L738 HydrophobicContact CG1-CD1 3.63Å; V731-L738 HydrophobicContact CG1-CG 4.08Å | ||
| 732 | G | 89.9 | Confident | 90.8 | Very high | 6 Ų | 6 | 67.2 Ų | 67.2 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | trans | 81.1 | 172.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N688 I730 R734 G735 | N688-G732 VanDerWaalsContact OD1-C 3.23Å; N688-G732 WeakPolarHBondContact OD1-CA 3.48Å; I730-G732 VanDerWaalsContact C-N 3.28Å; I730-G732 PolarHBondContact O-N 3.27Å; G732-R734 PolarHBondContact O-N 2.89Å; G732-G735 PolarHBondContact O-N 3.36Å | ||
| 733 | E | 87.7 | Confident | 90.7 | Very high | 139 Ų | 139 | 62.8 Ų | 62.8 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -55.3 | 128.3 | 177.1 | -170 | 179.1 | 171.5 | 0 | 0 | 110.7 | G735 L736 | E733-G735 PolarHBondContact O-N 3.19Å; E733-L736 WeakPolarHBondContact O-CB 3.25Å; E733-L736 WeakPolarHBondContact O-CD1 3.43Å; E733-L736 WeakPolarHBondContact O-CG 3.11Å; E733-L736 PolarHBondContact O-N 2.87Å; E733-L736 VanDerWaalsContact O-N 3.1Å |
| 734 | R | 86.3 | Confident | 90.5 | Very high | 135 Ų | 135 | 61.4 Ų | 61.4 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | 54.6 | 12.8 | -175 | -59.8 | 177.7 | 70.2 | -176.2 | -0.9 | 114.8 | V685 L686 G732 K743 | V685-R734 HydrophobicContact CG1-CB 4.25Å; V685-R734 HydrophobicContact CG1-CG 4.06Å; L686-R734 CarbonylContact O-C 3.3Å; L686-R734 VanDerWaalsContact O-CA 3.24Å; L686-R734 WeakPolarHBondContact O-CA 3.4Å; L686-R734 PolarHBondContact O-N 3.32Å; G732-R734 PolarHBondContact O-N 2.89Å; R734-K743 WeakPolarHBondContact O-CE 3Å; R734-K743 PolarHBondContact O-NZ 2.76Å |
| 735 | G | 86.1 | Confident | 90.5 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | 80.6 | 23.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | V731 G732 E733 K737 L738 | V731-G735 CarbonylContact O-C 3.59Å; V731-G735 VanDerWaalsContact O-CA 3.3Å; V731-G735 WeakPolarHBondContact O-CA 3.21Å; G732-G735 PolarHBondContact O-N 3.36Å; E733-G735 PolarHBondContact O-N 3.19Å; G735-K737 PolarHBondContact O-N 2.8Å; G735-K737 VanDerWaalsContact O-N 3.15Å; G735-L738 PolarHBondContact O-N 2.82Å; G735-L738 VanDerWaalsContact O-N 3.13Å |
| 736 | L | 87 | Confident | 90.5 | Very high | 138 Ų | 138 | 49.4 Ų | 49.4 | 72% | 0.723 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.6 | -174.4 | -73.7 | 169.9 | 0 | 0 | 0 | 115.7 | V731 E733 L738 | V731-L736 PolarHBondContact O-N 3.35Å; E733-L736 WeakPolarHBondContact O-CB 3.25Å; E733-L736 WeakPolarHBondContact O-CD1 3.43Å; E733-L736 WeakPolarHBondContact O-CG 3.11Å; E733-L736 PolarHBondContact O-N 2.87Å; E733-L736 VanDerWaalsContact O-N 3.1Å; L736-L738 VanDerWaalsContact C-N 3.34Å |
| 737 | K | 89.6 | Confident | 90.4 | Very high | 153 Ų | 153 | 48.9 Ų | 48.9 | 67% | 0.665 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.2 | 175.7 | -64.1 | -178.9 | 175.6 | -179.9 | 0 | 113.6 | I730 V731 G735 | I730-K737 WeakPolarHBondContact O-CD 3.31Å; V731-K737 VanDerWaalsContact O-CB 3.32Å; V731-K737 WeakPolarHBondContact O-CB 3.34Å; V731-K737 PolarHBondContact O-N 2.82Å; G735-K737 PolarHBondContact O-N 2.8Å; G735-K737 VanDerWaalsContact O-N 3.15Å |
| 738 | L | 89.1 | Confident | 90.2 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -95.8 | 148.7 | 177.1 | -63 | -177.4 | 0 | 0 | 0 | 110.1 | L686 I691 F723 V731 G735 L736 E742 V746 | L686-L738 HydrophobicContact CD1-CD1 3.77Å; I691-L738 HydrophobicContact CD1-CD2 4.34Å; F723-L738 HydrophobicContact CE2-CD2 3.81Å; F723-L738 HydrophobicContact CZ-CD2 3.77Å; V731-L738 HydrophobicContact CB-CD1 4.06Å; V731-L738 HydrophobicContact CB-CG 4.17Å; V731-L738 HydrophobicContact CG1-CD1 3.63Å; V731-L738 HydrophobicContact CG1-CG 4.08Å; G735-L738 PolarHBondContact O-N 2.82Å; G735-L738 VanDerWaalsContact O-N 3.13Å; L736-L738 VanDerWaalsContact C-N 3.34Å; L738-E742 WeakPolarHBondContact CA-OE2 3.27Å; L738-E742 HydrophobicContact CB-CB 4.02Å; L738-E742 HydrophobicContact CD2-CB 4.5Å; L738-V746 HydrophobicContact CD1-CG2 4.14Å |
| 739 | S | 88.5 | Confident | 90.1 | Very high | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | trans | -64.1 | 159 | 168.2 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | G741 E742 K743 | S739-G741 PolarHBondContact O-N 2.94Å; S739-E742 WeakPolarHBondContact CB-OE1 3.47Å; S739-E742 PolarHBondContact N-OE2 3.01Å; S739-E742 PolarHBondContact O-N 3.19Å; S739-E742 VanDerWaalsContact OG-CG 3.28Å; S739-E742 WeakPolarHBondContact OG-CG 3.28Å; S739-E742 PolarHBondContact OG-N 3.31Å; S739-E742 PolarHBondContact OG-OE1 3.29Å; S739-E742 PolarHBondContact OG-OE2 3.28Å; S739-K743 WeakPolarHBondContact O-CB 3.32Å; S739-K743 PolarHBondContact O-N 3.06Å | ||
| 740 | G | 85.8 | Confident | 90 | Very high | 48 Ų | 48 | 45 Ų | 45 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.1 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K743 Q744 | G740-K743 PolarHBondContact O-N 2.83Å; G740-Q744 PolarHBondContact O-N 3.02Å; G740-Q744 VanDerWaalsContact O-N 3.1Å |
| 741 | G | 86.7 | Confident | 89.9 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -38.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S739 R745 L768 | S739-G741 PolarHBondContact O-N 2.94Å; G741-R745 WeakPolarHBondContact O-CG 3.5Å; G741-R745 PolarHBondContact O-N 3.33Å; G741-L768 VanDerWaalsContact N-CD2 3.31Å |
| 742 | E | 90.7 | Very high | 89.9 | Confident | 38 Ų | 38 | 43 Ų | 43 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 173 | -77.3 | 150.6 | -139.4 | 0 | 0 | 111.2 | I716 F723 L738 S739 Q744 R745 V746 | I716-E742 HydrophobicContact CD1-CB 4.45Å; I716-E742 VanDerWaalsContact CD1-O 3.3Å; I716-E742 WeakPolarHBondContact CD1-O 3.36Å; F723-E742 HydrophobicContact CZ-CG 4.48Å; L738-E742 WeakPolarHBondContact CA-OE2 3.27Å; L738-E742 HydrophobicContact CB-CB 4.02Å; L738-E742 HydrophobicContact CD2-CB 4.5Å; S739-E742 WeakPolarHBondContact CB-OE1 3.47Å; S739-E742 PolarHBondContact N-OE2 3.01Å; S739-E742 PolarHBondContact O-N 3.19Å; S739-E742 VanDerWaalsContact OG-CG 3.28Å; S739-E742 WeakPolarHBondContact OG-CG 3.28Å; S739-E742 PolarHBondContact OG-N 3.31Å; S739-E742 PolarHBondContact OG-OE1 3.29Å; S739-E742 PolarHBondContact OG-OE2 3.28Å; E742-Q744 PolarHBondContact O-N 2.79Å; E742-R745 PolarHBondContact O-N 3.12Å; E742-R745 VanDerWaalsContact O-N 3.08Å; E742-V746 WeakPolarHBondContact O-CG2 3.44Å; E742-V746 PolarHBondContact O-N 3.44Å |
| 743 | K | 90.6 | Very high | 90.1 | Very high | 39 Ų | 39 | 43 Ų | 43 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55 | -44.2 | 179.4 | -164.9 | -168.9 | -149.1 | -173.4 | 0 | 111.5 | T684 L686 R734 S739 G740 V746 A747 | T684-K743 HydrophobicContact CG2-CD 4.39Å; T684-K743 HydrophobicContact CG2-CG 3.86Å; T684-K743 VanDerWaalsContact O-CD 3.27Å; T684-K743 WeakPolarHBondContact O-CD 3.22Å; T684-K743 WeakPolarHBondContact O-CE 3.14Å; T684-K743 PolarHBondContact O-NZ 2.76Å; L686-K743 HydrophobicContact CD1-CG 3.83Å; L686-K743 HydrophobicContact CG-CG 4Å; R734-K743 WeakPolarHBondContact O-CE 3Å; R734-K743 PolarHBondContact O-NZ 2.76Å; S739-K743 WeakPolarHBondContact O-CB 3.32Å; S739-K743 PolarHBondContact O-N 3.06Å; G740-K743 PolarHBondContact O-N 2.83Å; K743-V746 WeakPolarHBondContact O-CB 3.47Å; K743-V746 PolarHBondContact O-N 3.05Å; K743-A747 PolarHBondContact O-N 2.92Å; K743-A747 VanDerWaalsContact O-N 3.12Å |
| 744 | Q | 89.4 | Confident | 90.4 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.8 | -168.3 | -175.3 | -6.7 | 0 | 0 | 112.2 | V680 G740 E742 V746 A747 I748 A764 I776 | V680-Q744 HydrophobicContact CG1-CG 4.42Å; G740-Q744 PolarHBondContact O-N 3.02Å; G740-Q744 VanDerWaalsContact O-N 3.1Å; E742-Q744 PolarHBondContact O-N 2.79Å; Q744-V746 VanDerWaalsContact C-N 3.26Å; Q744-V746 PolarHBondContact O-N 3.45Å; Q744-A747 WeakPolarHBondContact O-CA 3.49Å; Q744-A747 VanDerWaalsContact O-CB 3.28Å; Q744-A747 WeakPolarHBondContact O-CB 3.31Å; Q744-A747 PolarHBondContact O-N 3.29Å; Q744-I748 HydrophobicContact CG-CD1 4.32Å; Q744-I748 VanDerWaalsContact O-CG1 3.32Å; Q744-I748 WeakPolarHBondContact O-CG1 3.44Å; Q744-I748 PolarHBondContact O-N 2.89Å; Q744-A764 PolarHBondContact NE2-O 3.27Å; Q744-A764 PolarHBondContact OE1-O 3.16Å; Q744-I776 VanDerWaalsContact NE2-CG2 3.33Å |
| 745 | R | 91.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 12% | 0.121 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -32.3 | 175.1 | -70.6 | -178 | -119.3 | -132.1 | 0.2 | 112.7 | A714 D715 I716 G741 E742 I748 A749 I776 | A714-R745 WeakPolarHBondContact O-CD 3.49Å; A714-R745 WeakPolarHBondContact O-CG 3.49Å; D715-R745 WeakPolarHBondContact O-CD 3.46Å; D715-R745 PolarHBondContact O-NH1 3.34Å; D715-R745 IonicContact OD2-NH1 3.86Å; D715-R745 PolarHBondContact OD2-NH1 3.4Å; I716-R745 HydrophobicContact CB-CB 3.79Å; I716-R745 HydrophobicContact CD1-CB 3.91Å; I716-R745 HydrophobicContact CG1-CB 4.09Å; I716-R745 HydrophobicContact CG2-CB 4.46Å; G741-R745 WeakPolarHBondContact O-CG 3.5Å; G741-R745 PolarHBondContact O-N 3.33Å; E742-R745 PolarHBondContact O-N 3.12Å; E742-R745 VanDerWaalsContact O-N 3.08Å; R745-I748 PolarHBondContact O-N 3.01Å; R745-A749 WeakPolarHBondContact O-CB 3.32Å; R745-A749 PolarHBondContact O-N 3.25Å; R745-I776 HydrophobicContact CG-CD1 4.1Å; R745-I776 HydrophobicContact CG-CG1 3.9Å |
| 746 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 169.1 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L686 I691 N694 I695 I716 L738 E742 K743 Q744 I748 A749 R750 | L686-V746 HydrophobicContact CD1-CB 4.32Å; L686-V746 HydrophobicContact CD1-CG1 4.17Å; L686-V746 HydrophobicContact CD2-CB 4.38Å; L686-V746 HydrophobicContact CD2-CG1 3.8Å; I691-V746 HydrophobicContact CG2-CG2 4.32Å; N694-V746 HydrophobicContact CB-CG1 4.05Å; I695-V746 HydrophobicContact CG1-CG1 4Å; I716-V746 HydrophobicContact CD1-CB 4.43Å; I716-V746 HydrophobicContact CD1-CG2 3.35Å; L738-V746 HydrophobicContact CD1-CG2 4.14Å; E742-V746 WeakPolarHBondContact O-CG2 3.44Å; E742-V746 PolarHBondContact O-N 3.44Å; K743-V746 WeakPolarHBondContact O-CB 3.47Å; K743-V746 PolarHBondContact O-N 3.05Å; Q744-V746 VanDerWaalsContact C-N 3.26Å; Q744-V746 PolarHBondContact O-N 3.45Å; V746-I748 VanDerWaalsContact C-N 3.32Å; V746-I748 PolarHBondContact O-N 3.48Å; V746-A749 PolarHBondContact O-N 3.16Å; V746-R750 WeakPolarHBondContact O-CB 3.3Å; V746-R750 PolarHBondContact O-N 3.37Å |
| 747 | A | 92.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V680 T684 K743 Q744 R750 N751 | V680-A747 HydrophobicContact CG1-CB 4.33Å; T684-A747 HydrophobicContact CG2-CB 3.63Å; T684-A747 VanDerWaalsContact OG1-CB 3.31Å; T684-A747 WeakPolarHBondContact OG1-CB 3.13Å; K743-A747 PolarHBondContact O-N 2.92Å; K743-A747 VanDerWaalsContact O-N 3.12Å; Q744-A747 WeakPolarHBondContact O-CA 3.49Å; Q744-A747 VanDerWaalsContact O-CB 3.28Å; Q744-A747 WeakPolarHBondContact O-CB 3.31Å; Q744-A747 PolarHBondContact O-N 3.29Å; A747-R750 WeakPolarHBondContact O-CB 3.21Å; A747-R750 PolarHBondContact O-N 2.89Å; A747-N751 WeakPolarHBondContact O-CB 3.3Å; A747-N751 PolarHBondContact O-N 3.14Å |
| 748 | I | 92.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -48.9 | 175.7 | -68.1 | 172.1 | 0 | 0 | 0 | 110.2 | V680 A714 Q744 R745 V746 R750 N751 L752 I776 L780 I783 | V680-I748 HydrophobicContact CG1-CG1 4.05Å; V680-I748 HydrophobicContact CG2-CG1 4.21Å; A714-I748 HydrophobicContact CB-CB 4.26Å; A714-I748 HydrophobicContact CB-CG2 3.87Å; Q744-I748 HydrophobicContact CG-CD1 4.32Å; Q744-I748 VanDerWaalsContact O-CG1 3.32Å; Q744-I748 WeakPolarHBondContact O-CG1 3.44Å; Q744-I748 PolarHBondContact O-N 2.89Å; R745-I748 PolarHBondContact O-N 3.01Å; V746-I748 VanDerWaalsContact C-N 3.32Å; V746-I748 PolarHBondContact O-N 3.48Å; I748-R750 VanDerWaalsContact C-N 3.34Å; I748-R750 PolarHBondContact O-N 3.49Å; I748-N751 PolarHBondContact O-N 3.09Å; I748-L752 HydrophobicContact CG2-CD1 4.34Å; I748-L752 WeakPolarHBondContact O-CB 3.28Å; I748-L752 PolarHBondContact O-N 2.75Å; I748-I776 HydrophobicContact CD1-CG2 3.86Å; I748-L780 HydrophobicContact CD1-CD2 3.68Å; I748-L780 HydrophobicContact CD1-CG 4.06Å; I748-L780 HydrophobicContact CG1-CD2 3.84Å; I748-I783 HydrophobicContact CG2-CD1 3.15Å |
| 749 | A | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I695 V710 A714 R745 V746 N751 L752 L753 | I695-A749 HydrophobicContact CD1-CB 4.22Å; I695-A749 HydrophobicContact CG1-CB 4.18Å; I695-A749 HydrophobicContact CG2-CB 4.12Å; V710-A749 HydrophobicContact CG2-CB 4.26Å; A714-A749 HydrophobicContact CB-CB 3.76Å; R745-A749 WeakPolarHBondContact O-CB 3.32Å; R745-A749 PolarHBondContact O-N 3.25Å; V746-A749 PolarHBondContact O-N 3.16Å; A749-N751 VanDerWaalsContact C-N 3.35Å; A749-N751 PolarHBondContact O-N 2.92Å; A749-L752 WeakPolarHBondContact O-CB 3.35Å; A749-L752 PolarHBondContact O-N 3.42Å; A749-L753 WeakPolarHBondContact O-CB 3.17Å; A749-L753 PolarHBondContact O-N 3.34Å |
| 750 | R | 93.9 | Very high | 91.9 | Very high | 46 Ų | 46 | 24 Ų | 24 | 17% | 0.174 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 174.6 | 178.5 | -170.1 | -67.4 | 173.8 | -1.9 | 111.4 | V685 L686 N694 V746 A747 I748 L753 K754 | V685-R750 PolarHBondContact O-NH1 3.03Å; L686-R750 VanDerWaalsContact CD2-NH2 3.29Å; N694-R750 PolarHBondContact O-NE 3.44Å; N694-R750 PolarHBondContact O-NH2 3.06Å; N694-R750 PolarHBondContact OD1-NH2 2.84Å; V746-R750 WeakPolarHBondContact O-CB 3.3Å; V746-R750 PolarHBondContact O-N 3.37Å; A747-R750 WeakPolarHBondContact O-CB 3.21Å; A747-R750 PolarHBondContact O-N 2.89Å; I748-R750 VanDerWaalsContact C-N 3.34Å; I748-R750 PolarHBondContact O-N 3.49Å; R750-L753 PolarHBondContact O-N 2.96Å; R750-K754 PolarHBondContact O-N 3.47Å |
| 751 | N | 92.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.5 | -37 | -179.4 | -164.7 | 48.9 | 0 | 0 | 0 | 112.1 | G678 V679 V680 A747 I748 A749 K754 N755 P756 | G678-N751 WeakPolarHBondContact CA-OD1 3.4Å; V679-N751 PolarHBondContact N-OD1 3.39Å; V680-N751 HydrophobicContact CG2-CB 4.12Å; A747-N751 WeakPolarHBondContact O-CB 3.3Å; A747-N751 PolarHBondContact O-N 3.14Å; I748-N751 PolarHBondContact O-N 3.09Å; A749-N751 VanDerWaalsContact C-N 3.35Å; A749-N751 PolarHBondContact O-N 2.92Å; N751-K754 PolarHBondContact O-N 3.49Å; N751-N755 PolarHBondContact O-N 3.03Å; N751-P756 WeakPolarHBondContact O-CD 3.22Å |
| 752 | L | 92.1 | Very high | 92.5 | Very high | 27 Ų | 27 | 22.6 Ų | 22.6 | 14% | 0.141 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.4 | -46.6 | 171.4 | -89.9 | 173.3 | 0 | 0 | 0 | 111.9 | V710 A713 A714 I748 A749 K754 N755 I783 | V710-L752 HydrophobicContact CB-CB 4.07Å; V710-L752 HydrophobicContact CG1-CB 4.03Å; A713-L752 HydrophobicContact CB-CD1 3.83Å; A714-L752 HydrophobicContact CB-CD1 4.31Å; I748-L752 HydrophobicContact CG2-CD1 4.34Å; I748-L752 WeakPolarHBondContact O-CB 3.28Å; I748-L752 PolarHBondContact O-N 2.75Å; A749-L752 WeakPolarHBondContact O-CB 3.35Å; A749-L752 PolarHBondContact O-N 3.42Å; L752-K754 VanDerWaalsContact C-N 3.28Å; L752-K754 PolarHBondContact O-N 2.86Å; L752-N755 PolarHBondContact O-N 3.2Å; L752-I783 HydrophobicContact CD1-CD1 3.77Å; L752-I783 HydrophobicContact CD1-CG1 4.08Å; L752-I783 HydrophobicContact CD2-CB 4.43Å; L752-I783 HydrophobicContact CD2-CD1 4.1Å; L752-I783 HydrophobicContact CD2-CG1 3.68Å; L752-I783 HydrophobicContact CD2-CG2 3.96Å; L752-I783 HydrophobicContact CG-CD1 3.72Å; L752-I783 HydrophobicContact CG-CG1 3.89Å; L752-I783 HydrophobicContact CG-CG2 4.41Å |
| 753 | L | 94.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -34 | -179.3 | -167 | 65.8 | 0 | 0 | 0 | 113.1 | I695 R699 A702 D706 I707 V710 A749 R750 N755 | I695-L753 HydrophobicContact CG2-CD2 4.29Å; I695-L753 WeakPolarHBondContact O-CD2 3.3Å; R699-L753 HydrophobicContact CB-CD2 4.4Å; R699-L753 HydrophobicContact CB-CG 4.11Å; A702-L753 HydrophobicContact CB-CD1 3.81Å; A702-L753 HydrophobicContact CB-CD2 3.79Å; A702-L753 HydrophobicContact CB-CG 4.07Å; D706-L753 HydrophobicContact CB-CD1 3.91Å; I707-L753 HydrophobicContact CG1-CD2 4.16Å; V710-L753 HydrophobicContact CG1-CB 4.18Å; V710-L753 HydrophobicContact CG1-CD1 3.93Å; V710-L753 HydrophobicContact CG2-CB 4.2Å; V710-L753 HydrophobicContact CG2-CD1 4.17Å; A749-L753 WeakPolarHBondContact O-CB 3.17Å; A749-L753 PolarHBondContact O-N 3.34Å; R750-L753 PolarHBondContact O-N 2.96Å; L753-N755 VanDerWaalsContact C-N 3.28Å |
| 754 | K | 93.5 | Very high | 91.3 | Very high | 68 Ų | 68 | 20.5 Ų | 20.5 | 30% | 0.296 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -67 | -30.7 | 174 | -175.3 | 178.3 | -177.6 | 179.6 | 0 | 112.3 | R674 Q675 L677 G698 R750 N751 L752 | R674-K754 WeakPolarHBondContact O-CE 3.22Å; R674-K754 PolarHBondContact O-NZ 2.66Å; Q675-K754 WeakPolarHBondContact O-CE 3.46Å; L677-K754 VanDerWaalsContact O-CE 3.31Å; L677-K754 WeakPolarHBondContact O-CE 3.48Å; L677-K754 PolarHBondContact O-NZ 2.9Å; G698-K754 WeakPolarHBondContact O-CB 3.24Å; R750-K754 PolarHBondContact O-N 3.47Å; N751-K754 PolarHBondContact O-N 3.49Å; L752-K754 VanDerWaalsContact C-N 3.28Å; L752-K754 PolarHBondContact O-N 2.86Å |
| 755 | N | 91 | Very high | 90.6 | Very high | 106 Ų | 106 | 20.3 Ų | 20.3 | 57% | 0.567 | 10% | 0.104 | S | C | * | . | trans | 50.8 | 57.4 | -178.4 | -164.2 | 37.6 | 0 | 0 | 0 | 114.8 | N751 L752 L753 R787 | N751-N755 PolarHBondContact O-N 3.03Å; L752-N755 PolarHBondContact O-N 3.2Å; L753-N755 VanDerWaalsContact C-N 3.28Å; N755-R787 PolarHBondContact OD1-NH2 2.89Å | ||
| 756 | P | 92.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | trans | -71.4 | 149.5 | -179.6 | 34.9 | -41.8 | 0 | 0 | 0 | 112.5 | S676 G678 N751 R787 | S676-P756 WeakPolarHBondContact O-CB 3.41Å; G678-P756 VanDerWaalsContact N-CB 3.32Å; N751-P756 WeakPolarHBondContact O-CD 3.22Å; P756-R787 PolarHBondContact O-NH1 3.48Å | ||
| 757 | T | 92 | Very high | 88.3 | Confident | 59 Ų | 59 | 25 Ų | 25 | 36% | 0.362 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -74.6 | -37.6 | 173.2 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | V596 S676 T788 | V596-T757 HydrophobicContact CG1-CG2 3.75Å; S676-T757 PolarHBondContact O-N 3.1Å; S676-T757 VanDerWaalsContact O-N 3.15Å; T757-T788 PolarHBondContact O-N 2.8Å |
| 758 | I | 94.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.6 | 178.5 | -61.1 | 158.7 | 0 | 0 | 0 | 107.9 | V601 I660 S676 L677 G678 T788 | V601-I758 HydrophobicContact CG2-CD1 3.7Å; V601-I758 HydrophobicContact CG2-CG1 4.09Å; V601-I758 HydrophobicContact CG2-CG2 4.02Å; I660-I758 HydrophobicContact CD1-CD1 3.94Å; I660-I758 HydrophobicContact CG1-CD1 4.33Å; I660-I758 HydrophobicContact CG2-CD1 3.78Å; S676-I758 PolarHBondContact O-N 3.05Å; L677-I758 CarbonylContact C-O 3.5Å; L677-I758 WeakPolarHBondContact CA-O 3.42Å; L677-I758 HydrophobicContact CD2-CB 3.69Å; L677-I758 HydrophobicContact CD2-CD1 3.87Å; L677-I758 HydrophobicContact CD2-CG1 4.41Å; L677-I758 HydrophobicContact CD2-CG2 3.6Å; G678-I758 PolarHBondContact N-O 2.81Å; I758-T788 CarbonylContact C-O 3.6Å; I758-T788 WeakPolarHBondContact CA-O 3.49Å; I758-T788 HydrophobicContact CG1-CG2 4.37Å; I758-T788 HydrophobicContact CG2-CG2 4.49Å |
| 759 | M | 93.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139 | -178.3 | -176.2 | 173.2 | 67.3 | 0 | 0 | 111.2 | G678 L761 I783 A784 T788 T789 L790 | G678-M759 CarbonylContact O-C 3.58Å; M759-L761 HydrophobicContact CE-CD1 4.02Å; M759-L761 HydrophobicContact CE-CD2 4.05Å; M759-L761 HydrophobicContact CE-CG 4.09Å; M759-L761 HydrophobicContact CG-CD2 4.02Å; M759-L761 HydrophobicContact CG-CG 4.44Å; M759-L761 HydrophobicContact SD-CD2 3.86Å; M759-L761 HydrophobicContact SD-CG 4.49Å; M759-I783 HydrophobicContact CE-CB 4.34Å; M759-I783 HydrophobicContact CE-CG2 4.06Å; M759-I783 HydrophobicContact SD-CB 4.18Å; M759-I783 HydrophobicContact SD-CG2 3.37Å; M759-I783 WeakPolarHBondContact SD-CG2 3.05Å; M759-A784 VanDerWaalsContact CE-CA 3.44Å; M759-A784 HydrophobicContact CE-CB 3.66Å; M759-T788 PolarHBondContact N-O 3.31Å; M759-T789 HydrophobicContact CE-CG2 3.6Å; M759-T789 CarbonylContact O-C 3.58Å; M759-T789 VanDerWaalsContact O-CA 3.31Å; M759-T789 WeakPolarHBondContact O-CA 3.47Å; M759-L790 PolarHBondContact O-N 3.18Å |
| 760 | I | 94.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.9 | 176.4 | -58 | 145.9 | 0 | 0 | 0 | 108.7 | V644 L647 F648 G678 V679 V680 L790 | V644-I760 HydrophobicContact CB-CG2 4.38Å; V644-I760 HydrophobicContact CG1-CG2 3.82Å; V644-I760 HydrophobicContact CG2-CG2 3.72Å; L647-I760 HydrophobicContact CD2-CD1 3.7Å; L647-I760 HydrophobicContact CD2-CG1 4.06Å; L647-I760 HydrophobicContact CG-CD1 4.32Å; F648-I760 HydrophobicContact CD2-CD1 3.96Å; F648-I760 HydrophobicContact CE2-CD1 3.29Å; F648-I760 HydrophobicContact CZ-CD1 3.93Å; G678-I760 PolarHBondContact O-N 3.38Å; V679-I760 CarbonylContact C-O 3.53Å; V679-I760 VanDerWaalsContact CA-O 3.27Å; V679-I760 WeakPolarHBondContact CA-O 3.44Å; V679-I760 HydrophobicContact CB-CB 4.4Å; V679-I760 HydrophobicContact CG2-CB 4.28Å; V679-I760 HydrophobicContact CG2-CG2 4.29Å; V680-I760 PolarHBondContact N-O 3.26Å; I760-L790 CarbonylContact C-O 3.53Å; I760-L790 VanDerWaalsContact CA-O 3.3Å; I760-L790 WeakPolarHBondContact CA-O 3.48Å; I760-L790 HydrophobicContact CG1-CB 4.26Å |
| 761 | L | 92.6 | Very high | 84.4 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 106.2 | 176.3 | -56.8 | -177 | 0 | 0 | 0 | 107.8 | V680 M759 L780 T789 L790 I791 V792 | V680-L761 HydrophobicContact CB-CD2 3.83Å; V680-L761 HydrophobicContact CG2-CD2 3.73Å; M759-L761 HydrophobicContact CE-CD1 4.02Å; M759-L761 HydrophobicContact CE-CD2 4.05Å; M759-L761 HydrophobicContact CE-CG 4.09Å; M759-L761 HydrophobicContact CG-CD2 4.02Å; M759-L761 HydrophobicContact CG-CG 4.44Å; M759-L761 HydrophobicContact SD-CD2 3.86Å; M759-L761 HydrophobicContact SD-CG 4.49Å; L761-L780 HydrophobicContact CD1-CB 4.12Å; L761-L780 HydrophobicContact CD1-CD1 4.48Å; L761-L780 HydrophobicContact CD1-CD2 4.11Å; L761-L780 HydrophobicContact CD1-CG 4.47Å; L761-L780 HydrophobicContact CD2-CD2 3.72Å; L761-T789 HydrophobicContact CD1-CG2 4.32Å; L761-T789 HydrophobicContact CG-CG2 4.39Å; L761-L790 PolarHBondContact N-O 2.92Å; L761-I791 HydrophobicContact CB-CG1 4.36Å; L761-I791 HydrophobicContact CB-CG2 4.39Å; L761-I791 HydrophobicContact CD1-CD1 4.14Å; L761-I791 HydrophobicContact CD1-CG1 4.09Å; L761-I791 HydrophobicContact CG-CG1 4.49Å; L761-V792 PolarHBondContact O-N 3.19Å |
| 762 | D | 91.2 | Very high | 83.5 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 101.3 | -174.7 | -168.2 | 20.5 | 0 | 0 | 0 | 110.9 | V680 P681 Q682 A764 V792 | V680-D762 PolarHBondContact O-N 3.41Å; P681-D762 CarbonylContact C-O 3.58Å; Q682-D762 WeakPolarHBondContact CA-O 3.25Å; Q682-D762 WeakPolarHBondContact CB-O 3.34Å; Q682-D762 PolarHBondContact N-O 3.25Å; D762-A764 PolarHBondContact O-N 3.42Å; D762-V792 WeakPolarHBondContact OD1-CB 3.39Å |
| 763 | E | 83.5 | Confident | 82.8 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 46.5 | 37.7 | 177.2 | -60.9 | -170.8 | -175.1 | 0 | 0 | 114.5 | K640 Q682 T765 S766 V792 H794 | K640-E763 WeakPolarHBondContact CE-OE1 3.35Å; K640-E763 IonicContact NZ-OE1 3.92Å; Q682-E763 HydrophobicContact CB-CB 4.12Å; Q682-E763 HydrophobicContact CG-CB 4.02Å; Q682-E763 PolarHBondContact NE2-OE2 3.34Å; E763-T765 PolarHBondContact O-N 3.08Å; E763-S766 PolarHBondContact O-N 3Å; E763-V792 WeakPolarHBondContact CA-O 3.37Å; E763-V792 HydrophobicContact CG-CG1 3.94Å; E763-V792 PolarHBondContact N-O 3.04Å; E763-H794 HydrophobicContact CG-CB 4.26Å |
| 764 | A | 73 | Confident | 82.2 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V680 Q744 D762 L780 | V680-A764 HydrophobicContact CG1-CB 4.21Å; Q744-A764 PolarHBondContact NE2-O 3.27Å; Q744-A764 PolarHBondContact OE1-O 3.16Å; D762-A764 PolarHBondContact O-N 3.42Å; A764-L780 HydrophobicContact CB-CD1 3.86Å |
| 765 | T | 74.6 | Confident | 81.5 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 2.3 | -171.8 | 66.2 | 0 | 0 | 0 | 0 | 116.2 | E763 A767 L768 E773 I776 L780 T798 | E763-T765 PolarHBondContact O-N 3.08Å; T765-A767 VanDerWaalsContact C-N 3.3Å; T765-A767 PolarHBondContact O-N 3.04Å; T765-A767 VanDerWaalsContact O-N 3.13Å; T765-L768 PolarHBondContact O-N 2.99Å; T765-E773 WeakPolarHBondContact CB-OE1 3.36Å; T765-E773 HydrophobicContact CG2-CG 4.03Å; T765-E773 PolarHBondContact OG1-OE1 3.43Å; T765-I776 HydrophobicContact CG2-CG2 4.35Å; T765-L780 HydrophobicContact CG2-CD1 4.44Å; T765-T798 HydrophobicContact CG2-CG2 4.4Å |
| 766 | S | 68 | Low | 81.1 | Confident | 38 Ų | 38 | 41 Ų | 41 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.6 | -162.9 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | Q682 E763 R795 | Q682-S766 PolarHBondContact NE2-OG 2.84Å; E763-S766 PolarHBondContact O-N 3Å; S766-R795 PolarHBondContact O-NH2 2.91Å |
| 767 | A | 67.7 | Low | 80.6 | Confident | 93 Ų | 93 | 41.9 Ų | 41.9 | 77% | 0.769 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 12.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T765 | T765-A767 VanDerWaalsContact C-N 3.3Å; T765-A767 PolarHBondContact O-N 3.04Å; T765-A767 VanDerWaalsContact O-N 3.13Å |
| 768 | L | 69.6 | Low | 80.2 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -108 | 149.6 | -171.5 | -64.1 | 179.4 | 0 | 0 | 0 | 113.9 | G741 T765 E773 I776 R795 | G741-L768 VanDerWaalsContact N-CD2 3.31Å; T765-L768 PolarHBondContact O-N 2.99Å; L768-E773 HydrophobicContact CB-CB 4.38Å; L768-I776 HydrophobicContact CD1-CB 4.43Å; L768-I776 HydrophobicContact CD1-CD1 3.32Å; L768-I776 HydrophobicContact CD1-CG1 4.42Å; L768-R795 PolarHBondContact O-NH1 2.85Å; L768-R795 PolarHBondContact O-NH2 3.36Å |
| 769 | D | 72.5 | Confident | 79.5 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | trans | -62.1 | 155.6 | 166.1 | 68 | -83.3 | 0 | 0 | 0 | 110.7 | T771 T772 E773 | D769-T771 PolarHBondContact O-N 3.42Å; D769-T771 PolarHBondContact OD2-N 3.01Å; D769-T771 VanDerWaalsContact OD2-N 3.16Å; D769-T771 PolarHBondContact OD2-OG1 3.2Å; D769-T772 PolarHBondContact O-N 2.87Å; D769-T772 PolarHBondContact O-OG1 3.3Å; D769-T772 WeakPolarHBondContact OD1-CB 3.27Å; D769-T772 WeakPolarHBondContact OD1-CG2 3.47Å; D769-T772 PolarHBondContact OD1-OG1 3.12Å; D769-T772 PolarHBondContact OD2-N 2.93Å; D769-T772 PolarHBondContact OD2-OG1 3.43Å; D769-E773 WeakPolarHBondContact O-CB 3.38Å; D769-E773 PolarHBondContact O-N 3.48Å | ||
| 770 | T | 73.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 41.8 Ų | 41.8 | 55% | 0.546 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -28.6 | -172.3 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | R774 | T770-R774 WeakPolarHBondContact O-CG 3.29Å; T770-R774 PolarHBondContact O-N 2.97Å |
| 771 | T | 74.1 | Confident | 78.6 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 57% | 0.571 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.3 | -45.4 | 179.5 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | D769 E773 R774 N775 | D769-T771 PolarHBondContact O-N 3.42Å; D769-T771 PolarHBondContact OD2-N 3.01Å; D769-T771 VanDerWaalsContact OD2-N 3.16Å; D769-T771 PolarHBondContact OD2-OG1 3.2Å; T771-E773 VanDerWaalsContact C-N 3.31Å; T771-E773 PolarHBondContact O-N 2.81Å; T771-R774 PolarHBondContact O-N 3.2Å; T771-N775 PolarHBondContact O-N 3.3Å |
| 772 | T | 74.1 | Confident | 78.1 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 175.2 | 59 | 0 | 0 | 0 | 0 | 111.8 | D769 N775 I776 | D769-T772 PolarHBondContact O-N 2.87Å; D769-T772 PolarHBondContact O-OG1 3.3Å; D769-T772 WeakPolarHBondContact OD1-CB 3.27Å; D769-T772 WeakPolarHBondContact OD1-CG2 3.47Å; D769-T772 PolarHBondContact OD1-OG1 3.12Å; D769-T772 PolarHBondContact OD2-N 2.93Å; D769-T772 PolarHBondContact OD2-OG1 3.43Å; T772-N775 PolarHBondContact O-N 2.81Å; T772-I776 WeakPolarHBondContact O-CB 3.36Å; T772-I776 WeakPolarHBondContact O-CG1 3.36Å; T772-I776 PolarHBondContact O-N 3.49Å |
| 773 | E | 78.4 | Confident | 77.6 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.4 | -52 | 173 | 170.9 | 173.5 | -139.3 | 0 | 0 | 111.7 | T765 L768 D769 T771 N775 I776 Q777 R795 | T765-E773 WeakPolarHBondContact CB-OE1 3.36Å; T765-E773 HydrophobicContact CG2-CG 4.03Å; T765-E773 PolarHBondContact OG1-OE1 3.43Å; L768-E773 HydrophobicContact CB-CB 4.38Å; D769-E773 WeakPolarHBondContact O-CB 3.38Å; D769-E773 PolarHBondContact O-N 3.48Å; T771-E773 VanDerWaalsContact C-N 3.31Å; T771-E773 PolarHBondContact O-N 2.81Å; E773-N775 VanDerWaalsContact C-N 3.28Å; E773-N775 PolarHBondContact O-N 3.43Å; E773-I776 PolarHBondContact O-N 3.15Å; E773-Q777 WeakPolarHBondContact O-CB 3.18Å; E773-Q777 PolarHBondContact O-N 3.45Å; E773-R795 WeakPolarHBondContact OE1-CD 3.45Å; E773-R795 IonicContact OE1-CZ 3.97Å; E773-R795 IonicContact OE1-NE 2.71Å; E773-R795 IonicContact OE1-NH1 3.73Å; E773-R795 PolarHBondContact OE1-NH1 3.28Å; E773-R795 IonicContact OE2-CZ 3.84Å; E773-R795 IonicContact OE2-NH1 3.93Å; E773-R795 PolarHBondContact OE2-NH1 3.43Å |
| 774 | R | 80.9 | Confident | 77.6 | Confident | 196 Ų | 196 | 50.4 Ų | 50.4 | 74% | 0.74 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.9 | -41.5 | -178.4 | -76.6 | 179.8 | 178.8 | 173.5 | 1 | 112 | T770 T771 Q777 A778 | T770-R774 WeakPolarHBondContact O-CG 3.29Å; T770-R774 PolarHBondContact O-N 2.97Å; T771-R774 PolarHBondContact O-N 3.2Å; R774-Q777 PolarHBondContact O-N 2.94Å; R774-A778 PolarHBondContact O-N 2.99Å |
| 775 | N | 79.3 | Confident | 78.2 | Confident | 81 Ų | 81 | 56 Ų | 56 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 178.8 | -68 | -17.3 | 0 | 0 | 0 | 111.5 | T771 T772 E773 A778 S779 | T771-N775 PolarHBondContact O-N 3.3Å; T772-N775 PolarHBondContact O-N 2.81Å; E773-N775 VanDerWaalsContact C-N 3.28Å; E773-N775 PolarHBondContact O-N 3.43Å; N775-A778 PolarHBondContact O-N 3.16Å; N775-S779 PolarHBondContact O-N 2.81Å; N775-S779 PolarHBondContact O-OG 3.42Å |
| 776 | I | 81.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 178.4 | -76 | 169 | 0 | 0 | 0 | 111.1 | Q744 R745 I748 T765 L768 T772 E773 A778 S779 L780 | Q744-I776 VanDerWaalsContact NE2-CG2 3.33Å; R745-I776 HydrophobicContact CG-CD1 4.1Å; R745-I776 HydrophobicContact CG-CG1 3.9Å; I748-I776 HydrophobicContact CD1-CG2 3.86Å; T765-I776 HydrophobicContact CG2-CG2 4.35Å; L768-I776 HydrophobicContact CD1-CB 4.43Å; L768-I776 HydrophobicContact CD1-CD1 3.32Å; L768-I776 HydrophobicContact CD1-CG1 4.42Å; T772-I776 WeakPolarHBondContact O-CB 3.36Å; T772-I776 WeakPolarHBondContact O-CG1 3.36Å; T772-I776 PolarHBondContact O-N 3.49Å; E773-I776 PolarHBondContact O-N 3.15Å; I776-A778 VanDerWaalsContact C-N 3.31Å; I776-A778 PolarHBondContact O-N 3.48Å; I776-S779 WeakPolarHBondContact O-CB 3.29Å; I776-S779 PolarHBondContact O-N 3.06Å; I776-S779 VanDerWaalsContact O-N 3.16Å; I776-L780 HydrophobicContact CG2-CD1 4.04Å; I776-L780 HydrophobicContact CG2-CG 4.3Å; I776-L780 WeakPolarHBondContact O-CG 3.17Å; I776-L780 PolarHBondContact O-N 3.36Å |
| 777 | Q | 82.9 | Confident | 79.8 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 175.8 | -168.1 | 65.2 | 31.3 | 0 | 0 | 111.9 | E773 R774 S779 L780 N781 T798 | E773-Q777 WeakPolarHBondContact O-CB 3.18Å; E773-Q777 PolarHBondContact O-N 3.45Å; R774-Q777 PolarHBondContact O-N 2.94Å; Q777-S779 VanDerWaalsContact C-N 3.33Å; Q777-S779 PolarHBondContact O-N 3.31Å; Q777-L780 PolarHBondContact O-N 3.23Å; Q777-N781 PolarHBondContact NE2-OD1 3.08Å; Q777-N781 VanDerWaalsContact NE2-OD1 3.15Å; Q777-N781 WeakPolarHBondContact O-CB 3.4Å; Q777-N781 PolarHBondContact O-N 3.33Å; Q777-N781 PolarHBondContact O-ND2 2.99Å; Q777-T798 PolarHBondContact NE2-O 3.27Å |
| 778 | A | 82 | Confident | 81.1 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R774 N775 I776 R782 | R774-A778 PolarHBondContact O-N 2.99Å; N775-A778 PolarHBondContact O-N 3.16Å; I776-A778 VanDerWaalsContact C-N 3.31Å; I776-A778 PolarHBondContact O-N 3.48Å; A778-R782 PolarHBondContact O-N 3.32Å; A778-R782 VanDerWaalsContact O-N 3.14Å |
| 779 | S | 81.7 | Confident | 82.3 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | N775 I776 Q777 R782 I783 | N775-S779 PolarHBondContact O-N 2.81Å; N775-S779 PolarHBondContact O-OG 3.42Å; I776-S779 WeakPolarHBondContact O-CB 3.29Å; I776-S779 PolarHBondContact O-N 3.06Å; I776-S779 VanDerWaalsContact O-N 3.16Å; Q777-S779 VanDerWaalsContact C-N 3.33Å; Q777-S779 PolarHBondContact O-N 3.31Å; S779-R782 WeakPolarHBondContact O-CB 3.49Å; S779-R782 PolarHBondContact O-N 2.63Å; S779-I783 WeakPolarHBondContact O-CD1 3.34Å; S779-I783 WeakPolarHBondContact O-CG1 3.47Å; S779-I783 PolarHBondContact O-N 3.35Å |
| 780 | L | 84.5 | Confident | 83.3 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 177.3 | -70.4 | 176.5 | 0 | 0 | 0 | 112.5 | V680 I748 L761 A764 T765 I776 Q777 R782 I783 A784 | V680-L780 HydrophobicContact CG2-CD2 4.48Å; I748-L780 HydrophobicContact CD1-CD2 3.68Å; I748-L780 HydrophobicContact CD1-CG 4.06Å; I748-L780 HydrophobicContact CG1-CD2 3.84Å; L761-L780 HydrophobicContact CD1-CB 4.12Å; L761-L780 HydrophobicContact CD1-CD1 4.48Å; L761-L780 HydrophobicContact CD1-CD2 4.11Å; L761-L780 HydrophobicContact CD1-CG 4.47Å; L761-L780 HydrophobicContact CD2-CD2 3.72Å; A764-L780 HydrophobicContact CB-CD1 3.86Å; T765-L780 HydrophobicContact CG2-CD1 4.44Å; I776-L780 HydrophobicContact CG2-CD1 4.04Å; I776-L780 HydrophobicContact CG2-CG 4.3Å; I776-L780 WeakPolarHBondContact O-CG 3.17Å; I776-L780 PolarHBondContact O-N 3.36Å; Q777-L780 PolarHBondContact O-N 3.23Å; L780-R782 VanDerWaalsContact C-N 3.3Å; L780-R782 PolarHBondContact O-N 3.37Å; L780-I783 PolarHBondContact O-N 2.92Å; L780-I783 VanDerWaalsContact O-N 3.12Å; L780-A784 PolarHBondContact O-N 3.46Å |
| 781 | N | 84.7 | Confident | 84.3 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 34% | 0.342 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 177.3 | -71.6 | -12.9 | 0 | 0 | 0 | 111.3 | Q777 I783 A784 Q785 | Q777-N781 PolarHBondContact NE2-OD1 3.08Å; Q777-N781 VanDerWaalsContact NE2-OD1 3.15Å; Q777-N781 WeakPolarHBondContact O-CB 3.4Å; Q777-N781 PolarHBondContact O-N 3.33Å; Q777-N781 PolarHBondContact O-ND2 2.99Å; N781-I783 VanDerWaalsContact C-N 3.28Å; N781-I783 PolarHBondContact O-N 3.22Å; N781-A784 PolarHBondContact O-N 2.91Å; N781-Q785 WeakPolarHBondContact O-CG 3.5Å; N781-Q785 PolarHBondContact O-N 3.29Å |
| 782 | R | 81.4 | Confident | 85.2 | Confident | 142 Ų | 142 | 46.9 Ų | 46.9 | 54% | 0.536 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62 | -37.3 | 176.3 | -170.4 | -176.8 | -63.8 | 138.7 | 0.1 | 111.9 | A778 S779 L780 | A778-R782 PolarHBondContact O-N 3.32Å; A778-R782 VanDerWaalsContact O-N 3.14Å; S779-R782 WeakPolarHBondContact O-CB 3.49Å; S779-R782 PolarHBondContact O-N 2.63Å; L780-R782 VanDerWaalsContact C-N 3.3Å; L780-R782 PolarHBondContact O-N 3.37Å |
| 783 | I | 80.4 | Confident | 85.8 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.3 | -32.1 | -178.7 | -58.9 | 162.9 | 0 | 0 | 0 | 111.3 | I748 L752 M759 S779 L780 N781 Q785 R787 | I748-I783 HydrophobicContact CG2-CD1 3.15Å; L752-I783 HydrophobicContact CD1-CD1 3.77Å; L752-I783 HydrophobicContact CD1-CG1 4.08Å; L752-I783 HydrophobicContact CD2-CB 4.43Å; L752-I783 HydrophobicContact CD2-CD1 4.1Å; L752-I783 HydrophobicContact CD2-CG1 3.68Å; L752-I783 HydrophobicContact CD2-CG2 3.96Å; L752-I783 HydrophobicContact CG-CD1 3.72Å; L752-I783 HydrophobicContact CG-CG1 3.89Å; L752-I783 HydrophobicContact CG-CG2 4.41Å; M759-I783 HydrophobicContact CE-CB 4.34Å; M759-I783 HydrophobicContact CE-CG2 4.06Å; M759-I783 HydrophobicContact SD-CB 4.18Å; M759-I783 HydrophobicContact SD-CG2 3.37Å; M759-I783 WeakPolarHBondContact SD-CG2 3.05Å; S779-I783 WeakPolarHBondContact O-CD1 3.34Å; S779-I783 WeakPolarHBondContact O-CG1 3.47Å; S779-I783 PolarHBondContact O-N 3.35Å; L780-I783 PolarHBondContact O-N 2.92Å; L780-I783 VanDerWaalsContact O-N 3.12Å; N781-I783 VanDerWaalsContact C-N 3.28Å; N781-I783 PolarHBondContact O-N 3.22Å; I783-Q785 PolarHBondContact O-N 3.32Å; I783-R787 VanDerWaalsContact O-CD 3.25Å; I783-R787 WeakPolarHBondContact O-CD 3.46Å; I783-R787 PolarHBondContact O-NE 3.32Å |
| 784 | A | 84.7 | Confident | 86 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.8 | -16.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M759 L780 N781 N786 R787 T789 | M759-A784 VanDerWaalsContact CE-CA 3.44Å; M759-A784 HydrophobicContact CE-CB 3.66Å; L780-A784 PolarHBondContact O-N 3.46Å; N781-A784 PolarHBondContact O-N 2.91Å; A784-N786 PolarHBondContact O-N 2.91Å; A784-R787 PolarHBondContact O-N 3.41Å; A784-T789 HydrophobicContact CB-CG2 4.08Å |
| 785 | Q | 84.8 | Confident | 86 | Confident | 132 Ų | 132 | 42.9 Ų | 42.9 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 128.9 | -179.9 | -69.6 | 179.2 | -9.4 | 0 | 0 | 111.6 | N781 I783 R787 | N781-Q785 WeakPolarHBondContact O-CG 3.5Å; N781-Q785 PolarHBondContact O-N 3.29Å; I783-Q785 PolarHBondContact O-N 3.32Å; Q785-R787 PolarHBondContact O-N 3.01Å |
| 786 | N | 85.4 | Confident | 86.2 | Confident | 162 Ų | 162 | 39 Ų | 39 | 87% | 0.866 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.5 | 179.6 | -58.7 | -27.2 | 0 | 0 | 0 | 114.8 | A784 | A784-N786 PolarHBondContact O-N 2.91Š|
| 787 | R | 90.3 | Very high | 86.2 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -124.6 | 146.3 | 176.4 | -60.3 | -174.8 | -167.3 | -157.9 | -5 | 110.9 | G627 N755 P756 I783 A784 Q785 T789 | G627-R787 CarbonylContact C-O 3.32Å; N755-R787 PolarHBondContact OD1-NH2 2.89Å; P756-R787 PolarHBondContact O-NH1 3.48Å; I783-R787 VanDerWaalsContact O-CD 3.25Å; I783-R787 WeakPolarHBondContact O-CD 3.46Å; I783-R787 PolarHBondContact O-NE 3.32Å; A784-R787 PolarHBondContact O-N 3.41Å; Q785-R787 PolarHBondContact O-N 3.01Å; R787-T789 PolarHBondContact O-N 2.97Å; R787-T789 VanDerWaalsContact O-N 3.15Å; R787-T789 PolarHBondContact O-OG1 3.14Å; R787-T789 VanDerWaalsContact O-OG1 3.13Å |
| 788 | T | 95 | Very high | 86.1 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 113.2 | 169 | -58.7 | 0 | 0 | 0 | 0 | 107.9 | G599 V601 I624 G627 T757 I758 M759 | G599-T788 WeakPolarHBondContact O-CB 3.42Å; G599-T788 WeakPolarHBondContact O-CG2 3.2Å; G599-T788 PolarHBondContact O-OG1 3.24Å; V601-T788 HydrophobicContact CG2-CG2 4.1Å; I624-T788 HydrophobicContact CB-CG2 3.96Å; I624-T788 HydrophobicContact CG2-CG2 3.46Å; I624-T788 VanDerWaalsContact CG2-CG2 3.46Å; G627-T788 PolarHBondContact N-OG1 3.17Å; T757-T788 PolarHBondContact O-N 2.8Å; I758-T788 CarbonylContact C-O 3.6Å; I758-T788 WeakPolarHBondContact CA-O 3.49Å; I758-T788 HydrophobicContact CG1-CG2 4.37Å; I758-T788 HydrophobicContact CG2-CG2 4.49Å; M759-T788 PolarHBondContact N-O 3.31Å |
| 789 | T | 94.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.2 | -171 | -56 | 0 | 0 | 0 | 0 | 111.3 | H628 T629 V630 M759 L761 A784 R787 I791 | H628-T789 PolarHBondContact O-N 3.36Å; T629-T789 CarbonylContact C-O 3.48Å; T629-T789 WeakPolarHBondContact CA-O 3.28Å; T629-T789 HydrophobicContact CG2-CG2 4.28Å; V630-T789 PolarHBondContact N-O 3.4Å; M759-T789 HydrophobicContact CE-CG2 3.6Å; M759-T789 CarbonylContact O-C 3.58Å; M759-T789 VanDerWaalsContact O-CA 3.31Å; M759-T789 WeakPolarHBondContact O-CA 3.47Å; L761-T789 HydrophobicContact CD1-CG2 4.32Å; L761-T789 HydrophobicContact CG-CG2 4.39Å; A784-T789 HydrophobicContact CB-CG2 4.08Å; R787-T789 PolarHBondContact O-N 2.97Å; R787-T789 VanDerWaalsContact O-N 3.15Å; R787-T789 PolarHBondContact O-OG1 3.14Å; R787-T789 VanDerWaalsContact O-OG1 3.13Å; T789-I791 HydrophobicContact CG2-CD1 4.29Å; T789-I791 HydrophobicContact CG2-CG1 3.77Å |
| 790 | L | 95.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.7 | 170.1 | -177.4 | 61.2 | 0 | 0 | 0 | 109.2 | I624 V630 L632 I643 L647 M759 I760 L761 | I624-L790 HydrophobicContact CD1-CB 3.95Å; I624-L790 HydrophobicContact CD1-CD1 3.85Å; I624-L790 HydrophobicContact CD1-CG 4.34Å; V630-L790 WeakPolarHBondContact O-CA 3.21Å; L632-L790 HydrophobicContact CD1-CD1 3.59Å; L632-L790 HydrophobicContact CD1-CD2 3.97Å; L632-L790 HydrophobicContact CD1-CG 4Å; L632-L790 HydrophobicContact CD2-CD1 4.43Å; L632-L790 HydrophobicContact CG-CD1 3.68Å; I643-L790 HydrophobicContact CG2-CD2 4.22Å; L647-L790 HydrophobicContact CD2-CD2 4.26Å; M759-L790 PolarHBondContact O-N 3.18Å; I760-L790 CarbonylContact C-O 3.53Å; I760-L790 VanDerWaalsContact CA-O 3.3Å; I760-L790 WeakPolarHBondContact CA-O 3.48Å; I760-L790 HydrophobicContact CG1-CB 4.26Å; L761-L790 PolarHBondContact N-O 2.92Å |
| 791 | I | 93.7 | Very high | 86.6 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120 | 179 | -54.4 | -172.6 | 0 | 0 | 0 | 109 | T629 V630 A631 L632 L761 T789 A793 I799 | T629-I791 HydrophobicContact CG2-CD1 3.34Å; T629-I791 HydrophobicContact CG2-CG1 3.76Å; V630-I791 PolarHBondContact O-N 2.81Å; A631-I791 CarbonylContact C-O 3.58Å; A631-I791 WeakPolarHBondContact CA-O 3.38Å; L632-I791 PolarHBondContact N-O 3.44Å; L761-I791 HydrophobicContact CB-CG1 4.36Å; L761-I791 HydrophobicContact CB-CG2 4.39Å; L761-I791 HydrophobicContact CD1-CD1 4.14Å; L761-I791 HydrophobicContact CD1-CG1 4.09Å; L761-I791 HydrophobicContact CG-CG1 4.49Å; T789-I791 HydrophobicContact CG2-CD1 4.29Å; T789-I791 HydrophobicContact CG2-CG1 3.77Å; I791-A793 HydrophobicContact CG2-CB 4.46Å; I791-I799 HydrophobicContact CB-CG2 4.3Å; I791-I799 HydrophobicContact CG2-CG2 3.74Å |
| 792 | V | 93.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.5 | 165.4 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | L632 K640 V644 L761 D762 E763 | L632-V792 HydrophobicContact CB-CG2 4.38Å; L632-V792 HydrophobicContact CD1-CG2 4.1Å; K640-V792 HydrophobicContact CB-CG1 3.56Å; K640-V792 HydrophobicContact CB-CG2 4.46Å; K640-V792 HydrophobicContact CD-CG1 3.78Å; K640-V792 HydrophobicContact CG-CG1 4.22Å; V644-V792 HydrophobicContact CG2-CG2 3.8Å; L761-V792 PolarHBondContact O-N 3.19Å; D762-V792 WeakPolarHBondContact OD1-CB 3.39Å; E763-V792 WeakPolarHBondContact CA-O 3.37Å; E763-V792 HydrophobicContact CG-CG1 3.94Å; E763-V792 PolarHBondContact N-O 3.04Å |
| 793 | A | 87.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L632 I791 I799 | L632-A793 PolarHBondContact O-N 2.9Å; I791-A793 HydrophobicContact CG2-CB 4.46Å; A793-I799 HydrophobicContact CB-CB 4.34Å; A793-I799 HydrophobicContact CB-CD1 4.08Å; A793-I799 HydrophobicContact CB-CG1 4.17Å; A793-I799 HydrophobicContact CB-CG2 3.32Å |
| 794 | H | 82.2 | Confident | 88.2 | Confident | 102 Ų | 102 | 44 Ų | 44 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -90.9 | -44.6 | 161.5 | -171.8 | -90.1 | 0 | 0 | 0 | 110.5 | E763 Q837 | E763-H794 HydrophobicContact CG-CB 4.26Å; H794-Q837 PolarHBondContact O-NE2 3.37Å |
| 795 | R | 81.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -87.1 | 114.9 | 175.1 | -68.5 | 179.4 | -175 | -174.5 | 13.7 | 110.3 | S766 L768 E773 S797 T798 | S766-R795 PolarHBondContact O-NH2 2.91Å; L768-R795 PolarHBondContact O-NH1 2.85Å; L768-R795 PolarHBondContact O-NH2 3.36Å; E773-R795 WeakPolarHBondContact OE1-CD 3.45Å; E773-R795 IonicContact OE1-CZ 3.97Å; E773-R795 IonicContact OE1-NE 2.71Å; E773-R795 IonicContact OE1-NH1 3.73Å; E773-R795 PolarHBondContact OE1-NH1 3.28Å; E773-R795 IonicContact OE2-CZ 3.84Å; E773-R795 IonicContact OE2-NH1 3.93Å; E773-R795 PolarHBondContact OE2-NH1 3.43Å; R795-S797 PolarHBondContact O-N 2.92Å; R795-T798 HydrophobicContact CB-CG2 4.16Å; R795-T798 PolarHBondContact O-N 3.27Å; R795-T798 VanDerWaalsContact O-N 3.15Å; R795-T798 PolarHBondContact O-OG1 2.72Å |
| 796 | L | 83.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -67.3 | -22 | -174.5 | -62.4 | 171.2 | 0 | 0 | 0 | 113.3 | V633 T798 I799 Y830 L833 W834 | V633-L796 HydrophobicContact CB-CD2 4.42Å; V633-L796 HydrophobicContact CG1-CD2 3.49Å; V633-L796 VanDerWaalsContact CG1-CD2 3.49Å; V633-L796 HydrophobicContact CG2-CD2 3.98Å; L796-T798 PolarHBondContact O-N 3.4Å; L796-I799 HydrophobicContact CD2-CD1 3.92Å; L796-I799 WeakPolarHBondContact O-CG1 3.43Å; L796-I799 PolarHBondContact O-N 3.36Å; L796-Y830 HydrophobicContact CD2-CD2 4.45Å; L796-Y830 HydrophobicContact CD2-CE2 3.84Å; L796-L833 VanDerWaalsContact CD1-C 3.46Å; L796-L833 HydrophobicContact CD1-CB 3.86Å; L796-W834 HydrophobicContact CB-CE3 3.44Å; L796-W834 VanDerWaalsContact CB-CE3 3.44Å; L796-W834 HydrophobicContact CB-CZ3 3.63Å; L796-W834 HydrophobicContact CD1-CB 3.92Å; L796-W834 HydrophobicContact CD1-CE3 3.91Å; L796-W834 VanDerWaalsContact CD1-N 3.29Å; L796-W834 HydrophobicContact CG-CE3 4.34Å |
| 797 | S | 81.4 | Confident | 89.5 | Confident | 54 Ų | 54 | 29.6 Ų | 29.6 | 38% | 0.378 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -59 | -26.2 | 174 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | R795 I799 | R795-S797 PolarHBondContact O-N 2.92Å; S797-I799 VanDerWaalsContact C-N 3.31Å; S797-I799 PolarHBondContact O-N 3Å |
| 798 | T | 81 | Confident | 89.7 | Confident | 18 Ų | 18 | 27.5 Ų | 27.5 | 11% | 0.11 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -77.4 | -14.9 | -177.5 | 63.6 | 0 | 0 | 0 | 0 | 114 | T765 Q777 R795 L796 | T765-T798 HydrophobicContact CG2-CG2 4.4Å; Q777-T798 PolarHBondContact NE2-O 3.27Å; R795-T798 HydrophobicContact CB-CG2 4.16Å; R795-T798 PolarHBondContact O-N 3.27Å; R795-T798 VanDerWaalsContact O-N 3.15Å; R795-T798 PolarHBondContact O-OG1 2.72Å; L796-T798 PolarHBondContact O-N 3.4Å |
| 799 | I | 85.9 | Confident | 89.5 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -120.3 | 8.3 | -172.4 | 55.7 | 163.7 | 0 | 0 | 0 | 113.5 | A631 V633 I791 A793 L796 S797 N801 A802 I805 Y830 | A631-I799 HydrophobicContact CB-CB 3.73Å; A631-I799 HydrophobicContact CB-CD1 4.15Å; A631-I799 HydrophobicContact CB-CG2 3.52Å; V633-I799 HydrophobicContact CG2-CD1 3.06Å; I791-I799 HydrophobicContact CB-CG2 4.3Å; I791-I799 HydrophobicContact CG2-CG2 3.74Å; A793-I799 HydrophobicContact CB-CB 4.34Å; A793-I799 HydrophobicContact CB-CD1 4.08Å; A793-I799 HydrophobicContact CB-CG1 4.17Å; A793-I799 HydrophobicContact CB-CG2 3.32Å; L796-I799 HydrophobicContact CD2-CD1 3.92Å; L796-I799 WeakPolarHBondContact O-CG1 3.43Å; L796-I799 PolarHBondContact O-N 3.36Å; S797-I799 VanDerWaalsContact C-N 3.31Å; S797-I799 PolarHBondContact O-N 3Å; I799-N801 PolarHBondContact O-N 3.33Å; I799-A802 HydrophobicContact CB-CB 4.41Å; I799-A802 VanDerWaalsContact O-CB 3.27Å; I799-A802 WeakPolarHBondContact O-CB 3.45Å; I799-A802 PolarHBondContact O-N 3.48Å; I799-I805 HydrophobicContact CD1-CD1 4.24Å; I799-I805 HydrophobicContact CD1-CG2 4.13Å; I799-Y830 HydrophobicContact CD1-CE2 4.22Å |
| 800 | V | 86.8 | Confident | 89.3 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.5 | 177.6 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | W834 | V800-W834 HydrophobicContact CG2-CH2 4.39Å; V800-W834 HydrophobicContact CG2-CZ3 4.35Å |
| 801 | N | 86.2 | Confident | 89.1 | Confident | 134 Ų | 134 | 35.5 Ų | 35.5 | 72% | 0.717 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10 | -179.3 | -59.8 | -27.2 | 0 | 0 | 0 | 113.8 | I799 | I799-N801 PolarHBondContact O-N 3.33Š|
| 802 | A | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -68.6 | 143.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T629 A631 I799 E804 I805 | T629-A802 HydrophobicContact CG2-CB 4.43Å; A631-A802 HydrophobicContact CB-CB 3.78Å; I799-A802 HydrophobicContact CB-CB 4.41Å; I799-A802 VanDerWaalsContact O-CB 3.27Å; I799-A802 WeakPolarHBondContact O-CB 3.45Å; I799-A802 PolarHBondContact O-N 3.48Å; A802-E804 VanDerWaalsContact C-N 3.28Å; A802-E804 PolarHBondContact O-N 3.44Å; A802-I805 HydrophobicContact CB-CG1 4.11Å | ||
| 803 | N | 93.2 | Very high | 89.1 | Confident | 82 Ų | 82 | 41 Ų | 41 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -67.3 | -34.2 | 177.3 | -62.1 | 101.4 | 0 | 0 | 0 | 111.6 | H628 T629 | H628-N803 HydrophobicContact CB-CB 4.42Å; T629-N803 PolarHBondContact N-OD1 2.94Å; T629-N803 WeakPolarHBondContact O-CB 3.37Å; T629-N803 PolarHBondContact O-N 3.27Å |
| 804 | E | 95.1 | Very high | 89.3 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.8 | 175.8 | -173.3 | 176.6 | -161.4 | 0 | 0 | 109.1 | V630 A631 A802 L806 | V630-E804 CarbonylContact C-O 3.55Å; V630-E804 WeakPolarHBondContact CA-O 3.39Å; V630-E804 HydrophobicContact CG2-CB 4.26Å; A631-E804 PolarHBondContact N-O 3.23Å; A802-E804 VanDerWaalsContact C-N 3.28Å; A802-E804 PolarHBondContact O-N 3.44Å; E804-L806 HydrophobicContact CG-CD2 4.18Å |
| 805 | I | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.6 | 175.7 | -56.3 | 174.9 | 0 | 0 | 0 | 107.8 | A631 V633 I799 A802 R816 G817 H819 L822 Y830 | A631-I805 HydrophobicContact CB-CG1 4.19Å; A631-I805 HydrophobicContact CB-CG2 4.46Å; V633-I805 HydrophobicContact CB-CG2 4.46Å; V633-I805 HydrophobicContact CG2-CG2 3.76Å; I799-I805 HydrophobicContact CD1-CD1 4.24Å; I799-I805 HydrophobicContact CD1-CG2 4.13Å; A802-I805 HydrophobicContact CB-CG1 4.11Å; I805-R816 VanDerWaalsContact O-CA 3.31Å; I805-R816 WeakPolarHBondContact O-CA 3.34Å; I805-G817 WeakPolarHBondContact CB-O 3.46Å; I805-G817 PolarHBondContact N-O 3.23Å; I805-G817 PolarHBondContact O-N 3.39Å; I805-G817 VanDerWaalsContact O-N 3.15Å; I805-H819 HydrophobicContact CD1-CB 3.98Å; I805-L822 HydrophobicContact CB-CD1 3.79Å; I805-L822 HydrophobicContact CD1-CD1 4.48Å; I805-L822 HydrophobicContact CG2-CD1 3.93Å; I805-Y830 HydrophobicContact CD1-CE2 4Å; I805-Y830 HydrophobicContact CG2-CD2 4.12Å; I805-Y830 HydrophobicContact CG2-CE2 3.85Å |
| 806 | L | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.2 | 177.5 | -57.7 | 176.2 | 0 | 0 | 0 | 108.9 | F622 V630 A631 L632 V633 E804 I813 R816 | F622-L806 HydrophobicContact CB-CD1 3.6Å; F622-L806 HydrophobicContact CD1-CD1 4.1Å; F622-L806 HydrophobicContact CD2-CD1 3.61Å; F622-L806 HydrophobicContact CE2-CD1 4.28Å; F622-L806 HydrophobicContact CG-CD1 3.49Å; F622-L806 VanDerWaalsContact CG-CD1 3.49Å; V630-L806 HydrophobicContact CG1-CD1 3.6Å; V630-L806 HydrophobicContact CG1-CG 3.92Å; A631-L806 PolarHBondContact O-N 2.99Å; L632-L806 HydrophobicContact CD2-CB 4.01Å; L632-L806 HydrophobicContact CD2-CD1 3.93Å; V633-L806 PolarHBondContact N-O 2.9Å; E804-L806 HydrophobicContact CG-CD2 4.18Å; L806-I813 HydrophobicContact CB-CG2 4.45Å; L806-I813 HydrophobicContact CD1-CD1 4.24Å; L806-I813 HydrophobicContact CD2-CG2 4.28Å; L806-R816 HydrophobicContact CD2-CB 3.81Å |
| 807 | V | 94 | Very high | 90.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.6 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | V633 I813 V814 E815 L822 R829 Y830 | V633-V807 CarbonylContact O-C 3.57Å; V633-V807 WeakPolarHBondContact O-CA 3.48Å; V807-I813 WeakPolarHBondContact O-CA 3.36Å; V807-V814 HydrophobicContact CB-CG2 4.1Å; V807-V814 HydrophobicContact CG1-CG2 3.91Å; V807-V814 WeakPolarHBondContact O-CG2 3.43Å; V807-V814 PolarHBondContact O-N 3.46Å; V807-E815 HydrophobicContact CB-CB 3.93Å; V807-E815 HydrophobicContact CG2-CB 3.85Å; V807-E815 PolarHBondContact N-O 3.34Å; V807-L822 HydrophobicContact CG2-CD1 4.36Å; V807-R829 HydrophobicContact CG1-CB 4.13Å; V807-Y830 HydrophobicContact CG2-CD2 4.14Å |
| 808 | L | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.2 | 174.4 | -81.2 | 101.6 | 0 | 0 | 0 | 111.9 | L617 L632 V633 G634 S638 I643 E812 I813 | L617-L808 HydrophobicContact CD2-CD2 4.29Å; L632-L808 HydrophobicContact CB-CD1 4.12Å; L632-L808 HydrophobicContact CD2-CD1 3.46Å; L632-L808 VanDerWaalsContact CD2-CD1 3.46Å; L632-L808 HydrophobicContact CG-CD1 4.32Å; V633-L808 PolarHBondContact O-N 2.99Å; G634-L808 VanDerWaalsContact CA-O 3.31Å; G634-L808 WeakPolarHBondContact CA-O 3.3Å; S638-L808 WeakPolarHBondContact CB-O 3.44Å; I643-L808 HydrophobicContact CD1-CD1 4.22Å; I643-L808 HydrophobicContact CD1-CD2 3.73Å; L808-E812 WeakPolarHBondContact CA-O 3.48Å; L808-I813 HydrophobicContact CG-CG1 4.42Å |
| 809 | H | 92.2 | Very high | 91.8 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 128.1 | 172.5 | -173.9 | 65.3 | 0 | 0 | 0 | 109 | E635 G811 E812 V814 R829 | E635-H809 IonicContact OE1-CE1 3.04Å; E635-H809 IonicContact OE1-ND1 3.4Å; E635-H809 IonicContact OE2-ND1 3.79Å; H809-G811 PolarHBondContact O-N 3.38Å; H809-E812 PolarHBondContact N-O 3.18Å; H809-E812 PolarHBondContact O-N 2.97Å; H809-V814 HydrophobicContact CB-CG1 3.88Å; H809-V814 HydrophobicContact CB-CG2 3.96Å; H809-R829 PolarHBondContact CE1-NH2 2.9Å; H809-R829 PolarHBondContact NE2-NH2 3.12Å |
| 810 | E | 89.8 | Confident | 92 | Very high | 136 Ų | 136 | 49.5 Ų | 49.5 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 32.3 | 178.6 | -58.6 | -168.3 | 165.4 | 0 | 0 | 116 | K618 | K618-E810 WeakPolarHBondContact CE-O 3.28Å; K618-E810 PolarHBondContact NZ-O 2.8Å |
| 811 | G | 90.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 4.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | I616 K618 V620 H809 | I616-G811 WeakPolarHBondContact O-CA 3.37Å; K618-G811 PolarHBondContact N-O 3.14Å; V620-G811 WeakPolarHBondContact CG2-O 3.4Å; H809-G811 PolarHBondContact O-N 3.38Å |
| 812 | E | 93.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.8 | -179.6 | -66 | 176.5 | -166.7 | 0 | 0 | 111 | K618 L808 H809 V814 | K618-E812 HydrophobicContact CB-CG 3.72Å; K618-E812 HydrophobicContact CD-CG 4.12Å; K618-E812 VanDerWaalsContact CD-OE1 3.26Å; K618-E812 WeakPolarHBondContact CD-OE1 3.39Å; L808-E812 WeakPolarHBondContact CA-O 3.48Å; H809-E812 PolarHBondContact N-O 3.18Å; H809-E812 PolarHBondContact O-N 2.97Å; E812-V814 PolarHBondContact O-N 3.3Å |
| 813 | I | 93.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 16% | 0.159 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 106.9 | 171.3 | -62.7 | 173.9 | 0 | 0 | 0 | 108 | V620 F622 L806 V807 L808 | V620-I813 HydrophobicContact CG1-CD1 3.75Å; V620-I813 HydrophobicContact CG1-CG1 4.12Å; F622-I813 HydrophobicContact CB-CD1 4.06Å; F622-I813 HydrophobicContact CD1-CD1 3.77Å; F622-I813 HydrophobicContact CG-CD1 4.28Å; L806-I813 HydrophobicContact CB-CG2 4.45Å; L806-I813 HydrophobicContact CD1-CD1 4.24Å; L806-I813 HydrophobicContact CD2-CG2 4.28Å; V807-I813 WeakPolarHBondContact O-CA 3.36Å; L808-I813 HydrophobicContact CG-CG1 4.42Å |
| 814 | V | 92.5 | Very high | 92 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 42% | 0.424 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -30.8 | -176.9 | -66.7 | 0 | 0 | 0 | 0 | 113.3 | V807 H809 E812 | V807-V814 HydrophobicContact CB-CG2 4.1Å; V807-V814 HydrophobicContact CG1-CG2 3.91Å; V807-V814 WeakPolarHBondContact O-CG2 3.43Å; V807-V814 PolarHBondContact O-N 3.46Å; H809-V814 HydrophobicContact CB-CG1 3.88Å; H809-V814 HydrophobicContact CB-CG2 3.96Å; E812-V814 PolarHBondContact O-N 3.3Å |
| 815 | E | 92.9 | Very high | 91.5 | Very high | 37 Ų | 37 | 53.2 Ų | 53.2 | 17% | 0.173 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 146.9 | -178.8 | -60.6 | 171.6 | 173.5 | 0 | 0 | 110.1 | V807 L822 S828 R829 Y830 | V807-E815 HydrophobicContact CB-CB 3.93Å; V807-E815 HydrophobicContact CG2-CB 3.85Å; V807-E815 PolarHBondContact N-O 3.34Å; E815-L822 HydrophobicContact CB-CD2 3.9Å; E815-S828 WeakPolarHBondContact OE1-CA 3.33Å; E815-S828 VanDerWaalsContact OE1-CB 3.23Å; E815-S828 WeakPolarHBondContact OE1-CB 3.28Å; E815-S828 WeakPolarHBondContact OE2-CB 3.44Å; E815-R829 PolarHBondContact OE1-N 2.93Å; E815-R829 PolarHBondContact OE2-N 3.37Å; E815-Y830 PolarHBondContact OE2-N 3.41Å |
| 816 | R | 93.5 | Very high | 90.8 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 55% | 0.547 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.3 | 174.8 | 65.1 | -178.9 | 69.9 | -164.7 | -2.9 | 110 | I805 L806 | I805-R816 VanDerWaalsContact O-CA 3.31Å; I805-R816 WeakPolarHBondContact O-CA 3.34Å; L806-R816 HydrophobicContact CD2-CB 3.81Å |
| 817 | G | 93.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -177.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I805 E821 | I805-G817 WeakPolarHBondContact CB-O 3.46Å; I805-G817 PolarHBondContact N-O 3.23Å; I805-G817 PolarHBondContact O-N 3.39Å; I805-G817 VanDerWaalsContact O-N 3.15Å; G817-E821 VanDerWaalsContact CA-OE2 3.32Å; G817-E821 WeakPolarHBondContact CA-OE2 3.46Å |
| 818 | T | 92.1 | Very high | 89.8 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 22% | 0.221 | 33% | 0.329 | C | S | . | . | trans | -76.9 | 163.4 | 172 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | S820 E821 L822 | T818-S820 VanDerWaalsContact C-N 3.26Å; T818-S820 PolarHBondContact O-N 3.32Å; T818-S820 PolarHBondContact OG1-OG 3.37Å; T818-S820 VanDerWaalsContact OG1-OG 3.1Å; T818-E821 WeakPolarHBondContact CG2-OE1 3.37Å; T818-E821 PolarHBondContact N-OE2 3.04Å; T818-E821 PolarHBondContact O-N 2.85Å; T818-E821 VanDerWaalsContact O-N 3.12Å; T818-E821 WeakPolarHBondContact OG1-CG 3.5Å; T818-E821 PolarHBondContact OG1-N 2.91Å; T818-E821 PolarHBondContact OG1-OE1 3.18Å; T818-E821 PolarHBondContact OG1-OE2 2.65Å; T818-L822 WeakPolarHBondContact O-CG 3.41Å; T818-L822 PolarHBondContact O-N 3.38Å | ||
| 819 | H | 90.7 | Very high | 89.5 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.1 | -46 | 175.9 | 176.1 | 73.3 | 0 | 0 | 0 | 112.2 | I805 L823 Y830 | I805-H819 HydrophobicContact CD1-CB 3.98Å; H819-L823 VanDerWaalsContact NE2-CD1 3.33Å; H819-L823 WeakPolarHBondContact NE2-CD1 3.3Å; H819-L823 WeakPolarHBondContact O-CG 3.38Å; H819-L823 PolarHBondContact O-N 2.86Å; H819-Y830 AromaticContact ND1-CE1 3.54Å; H819-Y830 AromaticContact ND1-CZ 3.58Å; H819-Y830 PolarHBondContact ND1-OH 3.38Å |
| 820 | S | 89.9 | Confident | 89.4 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.4 | 38 | 0 | 0 | 0 | 0 | 112.6 | T818 L823 L824 | T818-S820 VanDerWaalsContact C-N 3.26Å; T818-S820 PolarHBondContact O-N 3.32Å; T818-S820 PolarHBondContact OG1-OG 3.37Å; T818-S820 VanDerWaalsContact OG1-OG 3.1Å; S820-L823 PolarHBondContact O-N 3.25Å; S820-L824 WeakPolarHBondContact O-CG 3.37Å; S820-L824 PolarHBondContact O-N 3.17Å |
| 821 | E | 89.8 | Confident | 89.4 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 179.8 | -75 | 156.5 | -149.9 | 0 | 0 | 112.2 | G817 T818 L823 L824 | G817-E821 VanDerWaalsContact CA-OE2 3.32Å; G817-E821 WeakPolarHBondContact CA-OE2 3.46Å; T818-E821 WeakPolarHBondContact CG2-OE1 3.37Å; T818-E821 PolarHBondContact N-OE2 3.04Å; T818-E821 PolarHBondContact O-N 2.85Å; T818-E821 VanDerWaalsContact O-N 3.12Å; T818-E821 WeakPolarHBondContact OG1-CG 3.5Å; T818-E821 PolarHBondContact OG1-N 2.91Å; T818-E821 PolarHBondContact OG1-OE1 3.18Å; T818-E821 PolarHBondContact OG1-OE2 2.65Å; E821-L823 VanDerWaalsContact C-N 3.29Å; E821-L823 PolarHBondContact O-N 3.47Å; E821-L824 WeakPolarHBondContact O-CB 3.23Å; E821-L824 PolarHBondContact O-N 3.37Å |
| 822 | L | 88.6 | Confident | 89.3 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69 | -27.8 | -178.3 | -68.7 | 175.7 | 0 | 0 | 0 | 112.8 | I805 V807 E815 T818 S828 Y830 T831 | I805-L822 HydrophobicContact CB-CD1 3.79Å; I805-L822 HydrophobicContact CD1-CD1 4.48Å; I805-L822 HydrophobicContact CG2-CD1 3.93Å; V807-L822 HydrophobicContact CG2-CD1 4.36Å; E815-L822 HydrophobicContact CB-CD2 3.9Å; T818-L822 WeakPolarHBondContact O-CG 3.41Å; T818-L822 PolarHBondContact O-N 3.38Å; L822-S828 PolarHBondContact O-OG 3.46Å; L822-Y830 HydrophobicContact CB-CD1 3.48Å; L822-Y830 VanDerWaalsContact CB-CD1 3.48Å; L822-Y830 HydrophobicContact CB-CE1 4.17Å; L822-Y830 HydrophobicContact CB-CG 3.81Å; L822-Y830 HydrophobicContact CD1-CD1 4.12Å; L822-Y830 HydrophobicContact CD1-CD2 3.9Å; L822-Y830 HydrophobicContact CD1-CE2 4.38Å; L822-Y830 HydrophobicContact CD1-CG 3.76Å; L822-Y830 HydrophobicContact CG-CD1 4.46Å; L822-Y830 HydrophobicContact CG-CG 4.39Å; L822-T831 PolarHBondContact O-OG1 3.14Å; L822-T831 VanDerWaalsContact O-OG1 3.11Å |
| 823 | L | 88.7 | Confident | 88.9 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -77.6 | -21.8 | 175.4 | -75 | 178.7 | 0 | 0 | 0 | 114 | H819 S820 E821 N825 Y830 T831 W834 | H819-L823 VanDerWaalsContact NE2-CD1 3.33Å; H819-L823 WeakPolarHBondContact NE2-CD1 3.3Å; H819-L823 WeakPolarHBondContact O-CG 3.38Å; H819-L823 PolarHBondContact O-N 2.86Å; S820-L823 PolarHBondContact O-N 3.25Å; E821-L823 VanDerWaalsContact C-N 3.29Å; E821-L823 PolarHBondContact O-N 3.47Å; L823-N825 PolarHBondContact O-N 3.03Å; L823-Y830 HydrophobicContact CD2-CD1 4.45Å; L823-Y830 HydrophobicContact CD2-CE1 4.41Å; L823-Y830 HydrophobicContact CG-CE1 4.34Å; L823-T831 HydrophobicContact CD2-CG2 4.23Å; L823-W834 HydrophobicContact CD2-CB 4.4Å; L823-W834 HydrophobicContact CD2-CG 4.25Å |
| 824 | L | 87.8 | Confident | 88.6 | Confident | 146 Ų | 146 | 63.9 Ų | 63.9 | 76% | 0.764 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.6 | -27.2 | 176.8 | -70.6 | 172.5 | 0 | 0 | 0 | 112.1 | S820 E821 P826 | S820-L824 WeakPolarHBondContact O-CG 3.37Å; S820-L824 PolarHBondContact O-N 3.17Å; E821-L824 WeakPolarHBondContact O-CB 3.23Å; E821-L824 PolarHBondContact O-N 3.37Å; L824-P826 VanDerWaalsContact O-CD 3.23Å; L824-P826 WeakPolarHBondContact O-CD 3.43Å |
| 825 | N | 85.2 | Confident | 88.4 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -97.8 | 102.4 | 176.1 | -175.2 | -2.7 | 0 | 0 | 0 | 110.8 | L823 K827 S828 T831 | L823-N825 PolarHBondContact O-N 3.03Å; N825-K827 PolarHBondContact O-N 3.44Å; N825-K827 VanDerWaalsContact O-N 3.08Å; N825-K827 PolarHBondContact OD1-N 3.26Å; N825-K827 VanDerWaalsContact OD1-N 3.09Å; N825-S828 VanDerWaalsContact O-CB 3.28Å; N825-S828 WeakPolarHBondContact O-CB 3.47Å; N825-S828 PolarHBondContact O-N 3.02Å; N825-S828 PolarHBondContact O-OG 2.87Å; N825-T831 PolarHBondContact O-OG1 3.37Å | ||
| 826 | P | 79.9 | Confident | 88 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.2 | -178.4 | 25.5 | -33.8 | 0 | 0 | 0 | 114.2 | L824 | L824-P826 VanDerWaalsContact O-CD 3.23Å; L824-P826 WeakPolarHBondContact O-CD 3.43Å |
| 827 | K | 81.8 | Confident | 87.4 | Confident | 175 Ų | 175 | 65.3 Ų | 65.3 | 76% | 0.761 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -3.9 | 174 | -65.6 | -175.6 | 179 | -179.4 | 0 | 113 | N825 Q832 | N825-K827 PolarHBondContact O-N 3.44Å; N825-K827 VanDerWaalsContact O-N 3.08Å; N825-K827 PolarHBondContact OD1-N 3.26Å; N825-K827 VanDerWaalsContact OD1-N 3.09Å; K827-Q832 PolarHBondContact O-NE2 3.32Å |
| 828 | S | 86.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | trans | -64.9 | 142.9 | -179 | 74.3 | 0 | 0 | 0 | 0 | 111.6 | E815 L822 N825 Y830 T831 Q832 | E815-S828 WeakPolarHBondContact OE1-CA 3.33Å; E815-S828 VanDerWaalsContact OE1-CB 3.23Å; E815-S828 WeakPolarHBondContact OE1-CB 3.28Å; E815-S828 WeakPolarHBondContact OE2-CB 3.44Å; L822-S828 PolarHBondContact O-OG 3.46Å; N825-S828 VanDerWaalsContact O-CB 3.28Å; N825-S828 WeakPolarHBondContact O-CB 3.47Å; N825-S828 PolarHBondContact O-N 3.02Å; N825-S828 PolarHBondContact O-OG 2.87Å; S828-Y830 PolarHBondContact O-N 3.33Å; S828-T831 PolarHBondContact O-N 2.85Å; S828-T831 VanDerWaalsContact OG-CB 3.28Å; S828-T831 WeakPolarHBondContact OG-CB 3.41Å; S828-T831 PolarHBondContact OG-N 3.42Å; S828-T831 VanDerWaalsContact OG-N 3.07Å; S828-T831 PolarHBondContact OG-OG1 3.31Å; S828-Q832 WeakPolarHBondContact O-CG 3.46Å; S828-Q832 PolarHBondContact O-N 2.67Å; S828-Q832 VanDerWaalsContact O-N 3.11Å | ||
| 829 | R | 87.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 172.9 | -79.2 | -84.2 | -167.6 | -136.1 | 7.7 | 110 | V807 H809 E815 T831 Q832 L833 | V807-R829 HydrophobicContact CG1-CB 4.13Å; H809-R829 PolarHBondContact CE1-NH2 2.9Å; H809-R829 PolarHBondContact NE2-NH2 3.12Å; E815-R829 PolarHBondContact OE1-N 2.93Å; E815-R829 PolarHBondContact OE2-N 3.37Å; R829-T831 PolarHBondContact O-N 3.05Å; R829-Q832 PolarHBondContact O-N 3.14Å; R829-L833 WeakPolarHBondContact O-CG 3.44Å; R829-L833 PolarHBondContact O-N 3.28Å |
| 830 | Y | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 174.7 | -173.9 | -99 | 0 | 0 | 0 | 112.7 | V633 L796 I799 I805 V807 E815 H819 L822 L823 S828 Q832 L833 W834 | V633-Y830 HydrophobicContact CG2-CE2 4.49Å; L796-Y830 HydrophobicContact CD2-CD2 4.45Å; L796-Y830 HydrophobicContact CD2-CE2 3.84Å; I799-Y830 HydrophobicContact CD1-CE2 4.22Å; I805-Y830 HydrophobicContact CD1-CE2 4Å; I805-Y830 HydrophobicContact CG2-CD2 4.12Å; I805-Y830 HydrophobicContact CG2-CE2 3.85Å; V807-Y830 HydrophobicContact CG2-CD2 4.14Å; E815-Y830 PolarHBondContact OE2-N 3.41Å; H819-Y830 AromaticContact ND1-CE1 3.54Å; H819-Y830 AromaticContact ND1-CZ 3.58Å; H819-Y830 PolarHBondContact ND1-OH 3.38Å; L822-Y830 HydrophobicContact CB-CD1 3.48Å; L822-Y830 VanDerWaalsContact CB-CD1 3.48Å; L822-Y830 HydrophobicContact CB-CE1 4.17Å; L822-Y830 HydrophobicContact CB-CG 3.81Å; L822-Y830 HydrophobicContact CD1-CD1 4.12Å; L822-Y830 HydrophobicContact CD1-CD2 3.9Å; L822-Y830 HydrophobicContact CD1-CE2 4.38Å; L822-Y830 HydrophobicContact CD1-CG 3.76Å; L822-Y830 HydrophobicContact CG-CD1 4.46Å; L822-Y830 HydrophobicContact CG-CG 4.39Å; L823-Y830 HydrophobicContact CD2-CD1 4.45Å; L823-Y830 HydrophobicContact CD2-CE1 4.41Å; L823-Y830 HydrophobicContact CG-CE1 4.34Å; S828-Y830 PolarHBondContact O-N 3.33Å; Y830-Q832 VanDerWaalsContact C-N 3.31Å; Y830-Q832 PolarHBondContact O-N 2.99Å; Y830-L833 PolarHBondContact O-N 3.11Å; Y830-W834 PolarHBondContact O-N 3.23Å |
| 831 | T | 88.6 | Confident | 84 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 179.6 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | L822 L823 N825 S828 R829 W834 R835 | L822-T831 PolarHBondContact O-OG1 3.14Å; L822-T831 VanDerWaalsContact O-OG1 3.11Å; L823-T831 HydrophobicContact CD2-CG2 4.23Å; N825-T831 PolarHBondContact O-OG1 3.37Å; S828-T831 PolarHBondContact O-N 2.85Å; S828-T831 VanDerWaalsContact OG-CB 3.28Å; S828-T831 WeakPolarHBondContact OG-CB 3.41Å; S828-T831 PolarHBondContact OG-N 3.42Å; S828-T831 VanDerWaalsContact OG-N 3.07Å; S828-T831 PolarHBondContact OG-OG1 3.31Å; R829-T831 PolarHBondContact O-N 3.05Å; T831-W834 PolarHBondContact O-N 3.47Å; T831-R835 WeakPolarHBondContact O-CG 3.44Å; T831-R835 PolarHBondContact O-N 3.33Å |
| 832 | Q | 87.8 | Confident | 83 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 175.6 | -68.1 | 171.8 | 11.2 | 0 | 0 | 111.3 | K827 S828 R829 Y830 W834 R835 Q836 | K827-Q832 PolarHBondContact O-NE2 3.32Å; S828-Q832 WeakPolarHBondContact O-CG 3.46Å; S828-Q832 PolarHBondContact O-N 2.67Å; S828-Q832 VanDerWaalsContact O-N 3.11Å; R829-Q832 PolarHBondContact O-N 3.14Å; Y830-Q832 VanDerWaalsContact C-N 3.31Å; Y830-Q832 PolarHBondContact O-N 2.99Å; Q832-W834 VanDerWaalsContact C-N 3.3Å; Q832-W834 PolarHBondContact O-N 3.35Å; Q832-R835 PolarHBondContact O-N 3.35Å; Q832-Q836 WeakPolarHBondContact O-CG 3.43Å; Q832-Q836 PolarHBondContact O-N 3.1Å; Q832-Q836 VanDerWaalsContact O-N 3.07Å |
| 833 | L | 86.4 | Confident | 81.8 | Confident | 28 Ų | 28 | 78.9 Ų | 78.9 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 176.3 | -67.2 | 171 | 0 | 0 | 0 | 111.7 | V633 L796 R829 Y830 Q837 | V633-L833 HydrophobicContact CG1-CD1 3.88Å; L796-L833 VanDerWaalsContact CD1-C 3.46Å; L796-L833 HydrophobicContact CD1-CB 3.86Å; R829-L833 WeakPolarHBondContact O-CG 3.44Å; R829-L833 PolarHBondContact O-N 3.28Å; Y830-L833 PolarHBondContact O-N 3.11Å; L833-Q837 WeakPolarHBondContact O-CG 3.49Å; L833-Q837 PolarHBondContact O-N 3.18Å; L833-Q837 VanDerWaalsContact O-N 3.11Å |
| 834 | W | 87.7 | Confident | 80.2 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.7 | -178.3 | -98.4 | 0 | 0 | 0 | 112.8 | L796 V800 L823 Y830 T831 Q832 Q837 S838 | L796-W834 HydrophobicContact CB-CE3 3.44Å; L796-W834 VanDerWaalsContact CB-CE3 3.44Å; L796-W834 HydrophobicContact CB-CZ3 3.63Å; L796-W834 HydrophobicContact CD1-CB 3.92Å; L796-W834 HydrophobicContact CD1-CE3 3.91Å; L796-W834 VanDerWaalsContact CD1-N 3.29Å; L796-W834 HydrophobicContact CG-CE3 4.34Å; V800-W834 HydrophobicContact CG2-CH2 4.39Å; V800-W834 HydrophobicContact CG2-CZ3 4.35Å; L823-W834 HydrophobicContact CD2-CB 4.4Å; L823-W834 HydrophobicContact CD2-CG 4.25Å; Y830-W834 PolarHBondContact O-N 3.23Å; T831-W834 PolarHBondContact O-N 3.47Å; Q832-W834 VanDerWaalsContact C-N 3.3Å; Q832-W834 PolarHBondContact O-N 3.35Å; W834-Q837 PolarHBondContact O-N 3.31Å; W834-S838 PolarHBondContact NE1-OG 3.38Å; W834-S838 WeakPolarHBondContact O-CB 3.24Å; W834-S838 PolarHBondContact O-N 2.77Å; W834-S838 PolarHBondContact O-OG 3.28Å |
| 835 | R | 86.4 | Confident | 78.6 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 177.5 | -73.3 | 178.6 | -175.4 | 161.6 | 4.1 | 111.6 | T831 Q832 Q837 S838 E839 | T831-R835 WeakPolarHBondContact O-CG 3.44Å; T831-R835 PolarHBondContact O-N 3.33Å; Q832-R835 PolarHBondContact O-N 3.35Å; R835-Q837 VanDerWaalsContact C-N 3.31Å; R835-Q837 PolarHBondContact O-N 3.43Å; R835-S838 PolarHBondContact O-N 2.92Å; R835-S838 VanDerWaalsContact O-N 3.14Å; R835-E839 WeakPolarHBondContact O-CG 3.38Å; R835-E839 PolarHBondContact O-N 2.94Å |
| 836 | Q | 84.6 | Confident | 76.7 | Confident | 114 Ų | 114 | 82.8 Ų | 82.8 | 53% | 0.533 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 178.1 | -72.4 | 174.4 | -6.5 | 0 | 0 | 112.3 | Q832 V840 | Q832-Q836 WeakPolarHBondContact O-CG 3.43Å; Q832-Q836 PolarHBondContact O-N 3.1Å; Q832-Q836 VanDerWaalsContact O-N 3.07Å; Q836-V840 WeakPolarHBondContact O-CG2 3.45Å; Q836-V840 PolarHBondContact O-N 2.68Å |
| 837 | Q | 81.1 | Confident | 75 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 20% | 0.201 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71 | -36.6 | 177.8 | -70.8 | -173.4 | 18.6 | 0 | 0 | 113.1 | H794 L833 W834 R835 V840 Q841 | H794-Q837 PolarHBondContact O-NE2 3.37Å; L833-Q837 WeakPolarHBondContact O-CG 3.49Å; L833-Q837 PolarHBondContact O-N 3.18Å; L833-Q837 VanDerWaalsContact O-N 3.11Å; W834-Q837 PolarHBondContact O-N 3.31Å; R835-Q837 VanDerWaalsContact C-N 3.31Å; R835-Q837 PolarHBondContact O-N 3.43Å; Q837-V840 PolarHBondContact O-N 3.06Å; Q837-Q841 WeakPolarHBondContact O-CG 3.33Å; Q837-Q841 PolarHBondContact O-N 3.04Å; Q837-Q841 VanDerWaalsContact O-N 3.11Å |
| 838 | S | 79.5 | Confident | 73.1 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | W834 R835 Q841 Q842 | W834-S838 PolarHBondContact NE1-OG 3.38Å; W834-S838 WeakPolarHBondContact O-CB 3.24Å; W834-S838 PolarHBondContact O-N 2.77Å; W834-S838 PolarHBondContact O-OG 3.28Å; R835-S838 PolarHBondContact O-N 2.92Å; R835-S838 VanDerWaalsContact O-N 3.14Å; S838-Q841 PolarHBondContact O-N 2.63Å; S838-Q842 WeakPolarHBondContact O-CG 3.5Å; S838-Q842 PolarHBondContact O-N 2.9Å |
| 839 | E | 79 | Confident | 71.1 | Confident | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.1 | -74 | 169.7 | -166.7 | 0 | 0 | 111.8 | R835 Q841 Q842 Q843 | R835-E839 WeakPolarHBondContact O-CG 3.38Å; R835-E839 PolarHBondContact O-N 2.94Å; E839-Q841 PolarHBondContact O-N 3.36Å; E839-Q842 PolarHBondContact O-N 2.71Å; E839-Q843 WeakPolarHBondContact O-CG 3.48Å; E839-Q843 PolarHBondContact O-N 2.88Å |
| 840 | V | 70.6 | Confident | 68.8 | Low | 73 Ų | 73 | 86.9 Ų | 86.9 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | Q836 Q837 Q843 Q844 | Q836-V840 WeakPolarHBondContact O-CG2 3.45Å; Q836-V840 PolarHBondContact O-N 2.68Å; Q837-V840 PolarHBondContact O-N 3.06Å; V840-Q843 PolarHBondContact O-N 3.13Å; V840-Q844 WeakPolarHBondContact O-CG 3.37Å; V840-Q844 PolarHBondContact O-N 3.4Å; V840-Q844 VanDerWaalsContact O-N 3.07Å |
| 841 | Q | 66.9 | Low | 66.2 | Low | 82 Ų | 82 | 95 Ų | 95 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 177.1 | -74.4 | -179.1 | 5.6 | 0 | 0 | 112.5 | Q837 S838 E839 Q844 Q845 | Q837-Q841 WeakPolarHBondContact O-CG 3.33Å; Q837-Q841 PolarHBondContact O-N 3.04Å; Q837-Q841 VanDerWaalsContact O-N 3.11Å; S838-Q841 PolarHBondContact O-N 2.63Å; E839-Q841 PolarHBondContact O-N 3.36Å; Q841-Q844 PolarHBondContact O-N 3.32Å; Q841-Q845 WeakPolarHBondContact O-CB 3.43Å; Q841-Q845 WeakPolarHBondContact O-CG 3.21Å; Q841-Q845 PolarHBondContact O-N 3.38Å |
| 842 | Q | 67.8 | Low | 63.6 | Low | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 175.7 | -73.6 | 175.3 | 16.2 | 0 | 0 | 111.7 | S838 E839 Q844 Q845 S846 | S838-Q842 WeakPolarHBondContact O-CG 3.5Å; S838-Q842 PolarHBondContact O-N 2.9Å; E839-Q842 PolarHBondContact O-N 2.71Å; Q842-Q844 PolarHBondContact O-N 3.11Å; Q842-Q845 PolarHBondContact O-N 3.1Å; Q842-S846 WeakPolarHBondContact O-CB 3.31Å; Q842-S846 PolarHBondContact O-N 2.99Å; Q842-S846 PolarHBondContact O-OG 3.28Å |
| 843 | Q | 63.7 | Low | 61.2 | Low | 142 Ų | 142 | 103.3 Ų | 103.3 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 175.5 | -72.3 | 175.1 | 10.4 | 0 | 0 | 112.5 | E839 V840 | E839-Q843 WeakPolarHBondContact O-CG 3.48Å; E839-Q843 PolarHBondContact O-N 2.88Å; V840-Q843 PolarHBondContact O-N 3.13Å |
| 844 | Q | 55.6 | Low | 58.6 | Low | 152 Ų | 152 | 110.9 Ų | 110.9 | 71% | 0.71 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.4 | -28.5 | 176 | -72.4 | 178.3 | 0.5 | 0 | 0 | 113.5 | V840 Q841 Q842 | V840-Q844 WeakPolarHBondContact O-CG 3.37Å; V840-Q844 PolarHBondContact O-N 3.4Å; V840-Q844 VanDerWaalsContact O-N 3.07Å; Q841-Q844 PolarHBondContact O-N 3.32Å; Q842-Q844 PolarHBondContact O-N 3.11Å |
| 845 | Q | 53 | Low | 55.9 | Low | 147 Ų | 147 | 114.8 Ų | 114.8 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -89.2 | -14.1 | 177.9 | -70.8 | 177.1 | 12.3 | 0 | 0 | 113.5 | Q841 Q842 P847 | Q841-Q845 WeakPolarHBondContact O-CB 3.43Å; Q841-Q845 WeakPolarHBondContact O-CG 3.21Å; Q841-Q845 PolarHBondContact O-N 3.38Å; Q842-Q845 PolarHBondContact O-N 3.1Å; Q845-P847 WeakPolarHBondContact O-CD 3.47Å |
| 846 | S | 45 | Very low | 53.2 | Low | 71 Ų | 71 | 116.1 Ų | 116.1 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -73.3 | 106.5 | 172.1 | -57.9 | 0 | 0 | 0 | 0 | 108.1 | Q842 T848 | Q842-S846 WeakPolarHBondContact O-CB 3.31Å; Q842-S846 PolarHBondContact O-N 2.99Å; Q842-S846 PolarHBondContact O-OG 3.28Å; S846-T848 PolarHBondContact O-N 3.44Å; S846-T848 VanDerWaalsContact O-N 3.13Å |
| 847 | P | 45.3 | Very low | 50.6 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | trans | -60.5 | 124.5 | 172.8 | 25.7 | -31.2 | 0 | 0 | 0 | 107.1 | Q845 S849 | Q845-P847 WeakPolarHBondContact O-CD 3.47Å; P847-S849 PolarHBondContact O-N 3Å | ||
| 848 | T | 42.7 | Very low | 48.1 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | trans | -62.5 | 81.6 | 178.8 | -35.4 | 0 | 0 | 0 | 0 | 110.2 | S846 S850 | S846-T848 PolarHBondContact O-N 3.44Å; S846-T848 VanDerWaalsContact O-N 3.13Å; T848-S850 PolarHBondContact O-N 3.46Å | ||
| 849 | S | 42.6 | Very low | 45.9 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | trans | -76.5 | 67.5 | 160.6 | 47.6 | 0 | 0 | 0 | 0 | 108.4 | P847 | P847-S849 PolarHBondContact O-N 3Š| ||
| 850 | S | 39.2 | Very low | 43.5 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | trans | -171.6 | 53.9 | 163.8 | 42.4 | 0 | 0 | 0 | 0 | 111.8 | T848 L852 | T848-S850 PolarHBondContact O-N 3.46Å; S850-L852 PolarHBondContact O-N 3.3Å; S850-L852 VanDerWaalsContact O-N 3.16Å | ||
| 851 | L | 37.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | trans | -73.4 | 79.2 | 133 | -73.7 | 167.2 | 0 | 0 | 0 | 105.7 | P853 | L851-P853 WeakPolarHBondContact O-CD 3.44Š| ||
| 852 | L | 34.2 | Very low | 39.9 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -63.5 | 120.5 | 165.7 | -81.1 | 163.9 | 0 | 0 | 0 | 106.2 | S850 M854 | S850-L852 PolarHBondContact O-N 3.3Å; S850-L852 VanDerWaalsContact O-N 3.16Å; L852-M854 PolarHBondContact O-N 3.1Å | ||
| 853 | P | 36.5 | Very low | 38 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -63.6 | 129 | 178.1 | 22.7 | -26.9 | 0 | 0 | 0 | 108.3 | L851 N855 | L851-P853 WeakPolarHBondContact O-CD 3.44Å; P853-N855 VanDerWaalsContact C-N 3.28Å; P853-N855 PolarHBondContact O-N 3.08Å | ||
| 854 | M | 31.7 | Very low | 36.4 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -57.7 | 92.9 | 170.6 | -68.6 | -83.1 | -97.9 | 0 | 0 | 108 | L852 N856 | L852-M854 PolarHBondContact O-N 3.1Å; M854-N856 PolarHBondContact O-N 3.12Å | ||
| 855 | N | 31.5 | Very low | 35.7 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -72.3 | 113.4 | 167.4 | -104.2 | 1 | 0 | 0 | 0 | 107.4 | P853 E857 | P853-N855 VanDerWaalsContact C-N 3.28Å; P853-N855 PolarHBondContact O-N 3.08Å; N855-E857 PolarHBondContact O-N 3.01Å | ||
| 856 | N | 30.2 | Very low | 34.8 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -40.4 | 117.7 | 156.1 | -77.4 | -29.5 | 0 | 0 | 0 | 109.9 | M854 | M854-N856 PolarHBondContact O-N 3.12Š| ||
| 857 | E | 28.2 | Very low | 34.1 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -173.3 | 130.9 | 139.4 | -103.7 | 164.1 | -155.1 | 0 | 0 | 109.5 | N855 | N855-E857 PolarHBondContact O-N 3.01Š| ||
| 858 | N | 29.5 | Very low | 33.3 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 86.6 | 164.5 | -49 | -27.1 | 0 | 0 | 0 | 117.3 | ||||
| 859 | T | 34.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | -159.6 | 112.8 | 110.6 | 24.2 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 860 | E | 27.7 | Very low | 32.3 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -59.2 | 156.3 | 165.1 | -64.1 | 173.3 | 138 | 0 | 0 | 112.1 | ||||
| 861 | N | 27.6 | Very low | 32 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | 59.4 | 90.6 | 146.1 | -64.6 | -23.8 | 0 | 0 | 0 | 119.4 | ||||
| 862 | V | 34.8 | Very low | 32.2 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | -137.5 | 94.9 | 126 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 863 | S | 27.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | trans | -63.8 | 150.4 | 157.4 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 864 | N | 28.9 | Very low | 32.2 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 103.4 | 150.7 | 147.4 | -91.1 | 2.8 | 0 | 0 | 0 | 120.7 | ||||
| 865 | P | 41.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 70% | 0.695 | 83% | 0.829 | S | S | * | * | -130 | 151 | -114.6 | 38.2 | -21 | 0 | 0 | 0 | 115 | |||||
| 866 | I | 34.5 | Very low | 32.6 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 92% | 0.918 | 83% | 0.83 | S | S | * | * | trans | -142.3 | 115.2 | 158.3 | -54 | 175.6 | 0 | 0 | 0 | 104.2 | ||||
| 867 | G | 30.5 | Very low | 32.7 | Very low | 65 Ų | 65 | 150.4 Ų | 150.4 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | cis | 116.8 | 81.4 | 38 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 868 | R | 26.7 | Very low | 32.9 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | 31.1 | 124 | 151.5 | -66.1 | 176.9 | 174.5 | 176.4 | -2.2 | 118.6 | ||||
| 869 | T | 35.4 | Very low | 33.1 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 87% | 0.871 | 84% | 0.835 | S | S | * | * | -152.5 | 89.6 | 117 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 870 | N | 29.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -83 | 121.1 | 144.7 | -94.1 | -11.2 | 0 | 0 | 0 | 106.4 | ||||
| 871 | Q | 33.9 | Very low | 33.4 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -138.5 | 128.7 | 149.6 | -86.1 | -167 | -20.3 | 0 | 0 | 109.2 | ||||
| 872 | P | 41.3 | Very low | 33.9 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | trans | -90.6 | 144.9 | 169.9 | 35.4 | -28.2 | 0 | 0 | 0 | 109.6 | ||||
| 873 | V | 40.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -130.7 | 100.2 | 159.1 | -178 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 874 | I | 29.5 | Very low | 34.3 | Very low | 160 Ų | 160 | 154 Ų | 154 | 82% | 0.821 | 85% | 0.853 | S | S | * | * | trans | -89.6 | 109.6 | 154.4 | -65 | 170.9 | 0 | 0 | 0 | 105.1 | ||||
| 875 | V | 39 | Very low | 34.8 | Very low | 204 Ų | 204 | 154.1 Ų | 154.1 | 100% | 1.236 | 86% | 0.856 | S | S | * | * | -154.3 | 0 | 125.9 | 171.4 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 875 of 875 residues in 1010 ms
(Link to these results)