| 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 | 46.5 | Very low | 86.2 | Confident | 217 Ų | 217 | 28.8 Ų | 28.8 | 100% | 1.069 | 15% | 0.147 | S | C | * | . | 0 | 148.2 | 0 | -76.5 | 172.7 | 172.7 | 0 | 0 | 107.4 | G3 | M1-G3 PolarHBondContact O-N 3.32Š| |||
| 2 | N | 65.5 | Low | 86.6 | Confident | 41 Ų | 41 | 26.8 Ų | 26.8 | 22% | 0.219 | 14% | 0.139 | C | C | . | . | trans | -70.9 | 110.4 | 178.1 | -163.3 | 18.3 | 0 | 0 | 0 | 107.7 | E4 Q325 P326 | N2-E4 PolarHBondContact O-N 3.18Å; N2-E4 VanDerWaalsContact O-N 3.15Å; N2-Q325 PolarHBondContact O-NE2 3.42Å; N2-P326 PolarHBondContact ND2-O 3.23Å | ||
| 3 | G | 80.7 | Confident | 86.1 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | trans | -74.2 | 9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 N382 T383 D384 | M1-G3 PolarHBondContact O-N 3.32Å; G3-N382 CarbonylContact O-C 3.53Å; G3-N382 WeakPolarHBondContact O-CA 3.48Å; G3-T383 WeakPolarHBondContact CA-OG1 3.49Å; G3-T383 PolarHBondContact O-N 3.49Å; G3-T383 PolarHBondContact O-OG1 3.31Å; G3-D384 PolarHBondContact N-OD2 3.46Å | ||
| 4 | E | 89.8 | Confident | 85.8 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120 | 179 | 179.7 | 165.6 | -177.1 | 0 | 0 | 111.2 | N2 W6 P326 K380 | N2-E4 PolarHBondContact O-N 3.18Å; N2-E4 VanDerWaalsContact O-N 3.15Å; E4-W6 PolarHBondContact OE1-NE1 3.36Å; E4-P326 WeakPolarHBondContact O-CD 3.08Å; E4-K380 HydrophobicContact CG-CD 4.48Å; E4-K380 WeakPolarHBondContact OE1-CE 3.08Å; E4-K380 IonicContact OE1-NZ 3.98Å; E4-K380 PolarHBondContact OE1-NZ 2.72Å; E4-K380 IonicContact OE2-NZ 3.75Å; E4-K380 PolarHBondContact OE2-NZ 3.47Å |
| 5 | Y | 93.3 | Very high | 86.1 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.1 | 171.3 | -57.6 | -98.3 | 0 | 0 | 0 | 110.2 | A116 T120 L323 L324 Q325 I381 T383 | Y5-A116 WeakPolarHBondContact OH-CB 3.5Å; Y5-T120 HydrophobicContact CE1-CG2 3.81Å; Y5-L323 HydrophobicContact CD1-CD2 3.72Å; Y5-L323 HydrophobicContact CD1-CG 4.09Å; Y5-L323 HydrophobicContact CE1-CD2 4.36Å; Y5-L323 HydrophobicContact CG-CD1 4.49Å; Y5-L323 HydrophobicContact CG-CD2 4.36Å; Y5-L324 CarbonylContact C-O 3.58Å; Y5-L324 WeakPolarHBondContact CA-O 3.45Å; Y5-Q325 HydrophobicContact CD1-CB 3.81Å; Y5-Q325 HydrophobicContact CD1-CG 4.02Å; Y5-Q325 HydrophobicContact CE1-CB 3.89Å; Y5-Q325 HydrophobicContact CE1-CG 3.81Å; Y5-Q325 PolarHBondContact OH-NE2 3.15Å; Y5-I381 PolarHBondContact N-O 3.02Å; Y5-I381 PolarHBondContact O-N 3.14Å; Y5-T383 HydrophobicContact CD2-CG2 3.86Å; Y5-T383 HydrophobicContact CE2-CG2 3.73Å |
| 6 | W | 94.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.7 | 178.4 | -61.3 | -12.2 | 0 | 0 | 0 | 109 | E4 I8 L323 L324 P326 T332 L335 K336 L339 F378 | E4-W6 PolarHBondContact OE1-NE1 3.36Å; W6-I8 HydrophobicContact CB-CG2 4.37Å; W6-L323 CarbonylContact O-C 3.59Å; W6-L323 WeakPolarHBondContact O-CA 3.43Å; W6-L324 HydrophobicContact CB-CB 4.32Å; W6-L324 PolarHBondContact N-O 3.2Å; W6-L324 PolarHBondContact O-N 3.08Å; W6-P326 HydrophobicContact CD2-CG 3.88Å; W6-P326 HydrophobicContact CE3-CG 4.18Å; W6-P326 HydrophobicContact CG-CG 4.49Å; W6-P326 HydrophobicContact CH2-CG 4.24Å; W6-P326 HydrophobicContact CZ2-CG 4.01Å; W6-P326 HydrophobicContact CZ3-CG 4.34Å; W6-T332 HydrophobicContact CH2-CG2 3.33Å; W6-T332 WeakPolarHBondContact CH2-O 3.13Å; W6-T332 HydrophobicContact CZ2-CG2 3.07Å; W6-L335 HydrophobicContact CE3-CD2 3.82Å; W6-L335 HydrophobicContact CE3-CG 4.3Å; W6-L335 HydrophobicContact CH2-CB 4.47Å; W6-L335 HydrophobicContact CH2-CD2 4.21Å; W6-L335 HydrophobicContact CH2-CG 4.46Å; W6-L335 HydrophobicContact CZ3-CB 4.07Å; W6-L335 HydrophobicContact CZ3-CD2 3.43Å; W6-L335 VanDerWaalsContact CZ3-CD2 3.43Å; W6-L335 HydrophobicContact CZ3-CG 3.62Å; W6-K336 HydrophobicContact CH2-CD 4.2Å; W6-K336 HydrophobicContact CH2-CG 3.61Å; W6-K336 HydrophobicContact CZ2-CG 4.45Å; W6-K336 HydrophobicContact CZ3-CG 3.95Å; W6-L339 HydrophobicContact CE3-CD1 4.36Å; W6-L339 HydrophobicContact CZ3-CD1 4.35Å; W6-F378 HydrophobicContact CB-CE2 3.82Å; W6-F378 HydrophobicContact CB-CZ 4.48Å; W6-F378 AromaticContact CD1-CZ 3.96Å; W6-F378 AromaticContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CZ 4.15Å; W6-F378 HydrophobicContact CE3-CE2 4.06Å; W6-F378 AromaticContact CG-CE2 3.64Å; W6-F378 HydrophobicContact CG-CE2 3.64Å; W6-F378 AromaticContact CG-CZ 3.99Å; W6-F378 HydrophobicContact CG-CZ 3.99Å |
| 7 | L | 95.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.2 | 173 | -177.2 | 64.1 | 0 | 0 | 0 | 107.7 | F36 K301 V305 L323 L379 I381 | L7-F36 HydrophobicContact CD1-CB 3.7Å; L7-F36 HydrophobicContact CD1-CD1 3.7Å; L7-F36 HydrophobicContact CD1-CD2 3.69Å; L7-F36 HydrophobicContact CD1-CE1 4.21Å; L7-F36 HydrophobicContact CD1-CE2 4.2Å; L7-F36 HydrophobicContact CD1-CG 3.4Å; L7-F36 VanDerWaalsContact CD1-CG 3.4Å; L7-F36 HydrophobicContact CD1-CZ 4.43Å; L7-F36 HydrophobicContact CD2-CE1 4.25Å; L7-F36 HydrophobicContact CD2-CZ 4.3Å; L7-K301 HydrophobicContact CD2-CB 4.22Å; L7-V305 HydrophobicContact CD2-CB 4.44Å; L7-V305 HydrophobicContact CD2-CG2 3.34Å; L7-V305 HydrophobicContact CG-CG2 3.61Å; L7-L323 HydrophobicContact CB-CD1 4.18Å; L7-L323 HydrophobicContact CD1-CD1 4.29Å; L7-L379 HydrophobicContact CB-CB 4.37Å; L7-L379 PolarHBondContact N-O 3Å; L7-L379 PolarHBondContact O-N 2.94Å; L7-I381 HydrophobicContact CB-CD1 4.18Å; L7-I381 HydrophobicContact CB-CG1 4.44Å; L7-I381 HydrophobicContact CD2-CD1 4.47Å |
| 8 | I | 96 | Very high | 87.3 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 159.5 | 179.3 | 75.2 | 174 | 0 | 0 | 0 | 110.7 | W6 L23 A321 A322 L324 L339 Y376 V377 F378 | W6-I8 HydrophobicContact CB-CG2 4.37Å; I8-L23 HydrophobicContact CD1-CD1 3.84Å; I8-L23 HydrophobicContact CD1-CD2 4Å; I8-A321 CarbonylContact O-C 3.55Å; I8-A321 VanDerWaalsContact O-CA 3.27Å; I8-A321 WeakPolarHBondContact O-CA 3.16Å; I8-A322 HydrophobicContact CG1-CB 4.13Å; I8-A322 PolarHBondContact N-O 3.42Å; I8-A322 PolarHBondContact O-N 2.73Å; I8-L324 HydrophobicContact CD1-CD1 3.57Å; I8-L324 HydrophobicContact CD1-CD2 4.15Å; I8-L324 HydrophobicContact CG1-CD1 3.65Å; I8-L339 HydrophobicContact CD1-CD2 3.9Å; I8-Y376 HydrophobicContact CB-CD2 4.05Å; I8-Y376 HydrophobicContact CB-CE2 4.24Å; I8-Y376 HydrophobicContact CG2-CD2 4.17Å; I8-Y376 HydrophobicContact CG2-CE2 3.85Å; I8-V377 CarbonylContact C-O 3.14Å; I8-V377 WeakPolarHBondContact CA-O 3.44Å; I8-F378 HydrophobicContact CG2-CD2 3.83Å; I8-F378 HydrophobicContact CG2-CE2 4.5Å |
| 9 | S | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.7 | 167.5 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | S309 Y313 F319 Y376 V377 | S9-S309 VanDerWaalsContact CB-OG 3.24Å; S9-S309 WeakPolarHBondContact CB-OG 3.27Å; S9-S309 PolarHBondContact OG-OG 3.05Å; S9-Y313 PolarHBondContact O-OH 3.05Å; S9-F319 WeakPolarHBondContact OG-CD2 3.45Å; S9-Y376 WeakPolarHBondContact O-CB 3.26Å; S9-V377 PolarHBondContact N-O 3.42Å; S9-V377 PolarHBondContact O-N 3.44Å |
| 10 | A | 95.6 | Very high | 88 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T19 F319 Q320 Y343 | A10-T19 HydrophobicContact CB-CG2 3.82Å; A10-F319 CarbonylContact O-C 3.59Å; A10-F319 WeakPolarHBondContact O-CA 3.49Å; A10-F319 WeakPolarHBondContact O-CB 3.45Å; A10-Q320 PolarHBondContact N-O 3.45Å; A10-Q320 PolarHBondContact O-N 3.19Å; A10-Y343 HydrophobicContact CB-CD1 3.99Å; A10-Y343 HydrophobicContact CB-CE1 3.36Å; A10-Y343 HydrophobicContact CB-CE2 4.17Å; A10-Y343 VanDerWaalsContact CB-CZ 3.46Å |
| 11 | P | 94.7 | Very high | 88.4 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 14% | 0.143 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 147.2 | -177.9 | 26.9 | -32.1 | 0 | 0 | 0 | 111.3 | E13 T19 Y313 L346 | P11-E13 PolarHBondContact O-N 3.36Å; P11-E13 VanDerWaalsContact O-N 3.13Å; P11-T19 WeakPolarHBondContact O-CG2 3.39Å; P11-T19 PolarHBondContact O-OG1 3.43Å; P11-Y313 HydrophobicContact CB-CD1 4.17Å; P11-Y313 HydrophobicContact CB-CD2 4.29Å; P11-Y313 HydrophobicContact CB-CG 3.99Å; P11-Y313 HydrophobicContact CG-CD1 4.16Å; P11-Y313 HydrophobicContact CG-CE1 4.3Å; P11-Y313 HydrophobicContact CG-CG 4.46Å; P11-L346 HydrophobicContact CG-CD1 4.24Å; P11-L346 HydrophobicContact CG-CD2 3.55Å |
| 12 | G | 90.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | trans | -74.8 | 93.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K14 T19 N318 | G12-K14 PolarHBondContact O-N 3.12Å; G12-T19 WeakPolarHBondContact CA-OG1 3.39Å; G12-N318 PolarHBondContact N-O 3.18Å; G12-N318 PolarHBondContact O-ND2 2.97Å | ||
| 13 | E | 80 | Confident | 92.2 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -54.2 | -56.6 | -174.4 | -68.8 | -177.7 | 168.5 | 0 | 0 | 112 | P11 T19 R22 Y345 | P11-E13 PolarHBondContact O-N 3.36Å; P11-E13 VanDerWaalsContact O-N 3.13Å; E13-T19 PolarHBondContact N-OG1 3.18Å; E13-R22 IonicContact OE1-NH1 2.71Å; E13-R22 PolarHBondContact OE1-NH1 3.29Å; E13-R22 IonicContact OE2-NH1 2.89Å; E13-R22 PolarHBondContact OE2-NH1 2.98Å; E13-Y345 PolarHBondContact OE1-OH 2.73Å |
| 14 | K | 82.6 | Confident | 92.9 | Very high | 163 Ų | 163 | 39.8 Ų | 39.8 | 71% | 0.709 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -112.6 | -44 | 167.1 | -56.2 | -176.8 | -168.3 | 157.8 | 0 | 111.3 | G12 E18 | G12-K14 PolarHBondContact O-N 3.12Å; K14-E18 WeakPolarHBondContact CB-OE2 3.33Å; K14-E18 WeakPolarHBondContact CD-OE2 3.04Å |
| 15 | T | 90.5 | Very high | 93.1 | Very high | 63 Ų | 63 | 42.9 Ų | 42.9 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | trans | -142.9 | 152.1 | 174.3 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | Q17 E18 T19 | T15-Q17 PolarHBondContact O-N 3.17Å; T15-E18 PolarHBondContact O-N 3.36Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 2.65Å; T15-E18 VanDerWaalsContact OG1-N 3.11Å; T15-T19 PolarHBondContact O-N 3.13Å | ||
| 16 | C | 92.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -29.5 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | W20 N318 F319 Q320 | C16-W20 WeakPolarHBondContact O-CB 3.41Å; C16-W20 PolarHBondContact O-N 2.87Å; C16-N318 PolarHBondContact SG-OD1 3.42Å; C16-F319 PolarHBondContact SG-O 3.41Å; C16-Q320 HydrophobicContact CB-CB 4.01Å; C16-Q320 PolarHBondContact O-OE1 2.88Å |
| 17 | Q | 93.2 | Very high | 93.3 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.4 | -43.7 | 177.9 | -176.8 | 59.4 | 45.1 | 0 | 0 | 112 | T15 W20 D21 | T15-Q17 PolarHBondContact O-N 3.17Å; Q17-W20 WeakPolarHBondContact O-CB 3.47Å; Q17-W20 PolarHBondContact O-N 2.84Å; Q17-D21 PolarHBondContact NE2-OD1 2.87Å; Q17-D21 PolarHBondContact NE2-OD2 3.01Å; Q17-D21 PolarHBondContact O-N 2.71Å |
| 18 | E | 93.8 | Very high | 93.1 | Very high | 82 Ų | 82 | 48 Ų | 48 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.8 | -75.4 | 179.1 | -158.7 | 0 | 0 | 111.7 | K14 T15 W20 D21 R22 | K14-E18 WeakPolarHBondContact CB-OE2 3.33Å; K14-E18 WeakPolarHBondContact CD-OE2 3.04Å; T15-E18 PolarHBondContact O-N 3.36Å; T15-E18 WeakPolarHBondContact OG1-CG 3.46Å; T15-E18 PolarHBondContact OG1-N 2.65Å; T15-E18 VanDerWaalsContact OG1-N 3.11Å; E18-W20 VanDerWaalsContact C-N 3.27Å; E18-W20 PolarHBondContact O-N 2.87Å; E18-D21 PolarHBondContact O-N 2.89Å; E18-R22 WeakPolarHBondContact O-CB 3.29Å; E18-R22 PolarHBondContact O-N 3.09Å |
| 19 | T | 94.7 | Very high | 93 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 174.7 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | A10 P11 G12 E13 T15 L23 Q320 | A10-T19 HydrophobicContact CB-CG2 3.82Å; P11-T19 WeakPolarHBondContact O-CG2 3.39Å; P11-T19 PolarHBondContact O-OG1 3.43Å; G12-T19 WeakPolarHBondContact CA-OG1 3.39Å; E13-T19 PolarHBondContact N-OG1 3.18Å; T15-T19 PolarHBondContact O-N 3.13Å; T19-L23 WeakPolarHBondContact O-CB 3.44Å; T19-L23 PolarHBondContact O-N 2.93Å; T19-Q320 HydrophobicContact CG2-CB 4.22Å |
| 20 | W | 95.2 | Very high | 92.9 | Very high | 28 Ų | 28 | 53 Ų | 53 | 11% | 0.106 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 175.1 | 170.8 | -103.3 | 0 | 0 | 0 | 113.1 | C16 Q17 E18 R22 L23 N24 N33 K35 Q320 A322 | C16-W20 WeakPolarHBondContact O-CB 3.41Å; C16-W20 PolarHBondContact O-N 2.87Å; Q17-W20 WeakPolarHBondContact O-CB 3.47Å; Q17-W20 PolarHBondContact O-N 2.84Å; E18-W20 VanDerWaalsContact C-N 3.27Å; E18-W20 PolarHBondContact O-N 2.87Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.22Å; W20-L23 HydrophobicContact CE3-CD2 4.49Å; W20-L23 PolarHBondContact O-N 3.48Å; W20-N24 WeakPolarHBondContact CZ2-ND2 3.49Å; W20-N24 PolarHBondContact NE1-ND2 2.79Å; W20-N24 WeakPolarHBondContact O-CB 3.43Å; W20-N24 PolarHBondContact O-N 3.37Å; W20-N33 HydrophobicContact CH2-CB 3.92Å; W20-N33 HydrophobicContact CZ3-CB 4.33Å; W20-K35 HydrophobicContact CD2-CD 4.11Å; W20-K35 VanDerWaalsContact CD2-CE 3.45Å; W20-K35 HydrophobicContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CE2-CG 3.49Å; W20-K35 HydrophobicContact CE3-CG 3.57Å; W20-K35 HydrophobicContact CG-CD 4.33Å; W20-K35 HydrophobicContact CG-CG 4.19Å; W20-K35 HydrophobicContact CH2-CB 4.44Å; W20-K35 HydrophobicContact CH2-CG 3.76Å; W20-K35 HydrophobicContact CZ2-CG 3.63Å; W20-K35 HydrophobicContact CZ3-CB 4.4Å; W20-K35 HydrophobicContact CZ3-CG 3.72Å; W20-Q320 HydrophobicContact CB-CG 3.99Å; W20-A322 HydrophobicContact CE3-CB 4.23Å; W20-A322 HydrophobicContact CZ3-CB 3.86Å |
| 21 | D | 96.1 | Very high | 92.9 | Very high | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | -177.7 | -67 | -31.6 | 0 | 0 | 0 | 111 | Q17 E18 N24 S25 | Q17-D21 PolarHBondContact NE2-OD1 2.87Å; Q17-D21 PolarHBondContact NE2-OD2 3.01Å; Q17-D21 PolarHBondContact O-N 2.71Å; E18-D21 PolarHBondContact O-N 2.89Å; D21-N24 PolarHBondContact O-N 3.38Å; D21-S25 WeakPolarHBondContact O-CB 3.39Å; D21-S25 PolarHBondContact O-N 3.05Å; D21-S25 PolarHBondContact O-OG 3.44Å |
| 22 | R | 95.4 | Very high | 92.8 | Very high | 100 Ų | 100 | 55.2 Ų | 55.2 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 173.8 | -167.9 | 179.4 | 177.2 | -170.4 | -10.8 | 112.2 | E13 E18 W20 S25 T26 L342 | E13-R22 IonicContact OE1-NH1 2.71Å; E13-R22 PolarHBondContact OE1-NH1 3.29Å; E13-R22 IonicContact OE2-NH1 2.89Å; E13-R22 PolarHBondContact OE2-NH1 2.98Å; E18-R22 WeakPolarHBondContact O-CB 3.29Å; E18-R22 PolarHBondContact O-N 3.09Å; W20-R22 VanDerWaalsContact C-N 3.31Å; W20-R22 PolarHBondContact O-N 3.22Å; R22-S25 WeakPolarHBondContact CA-OG 3.5Å; R22-S25 PolarHBondContact O-OG 3.45Å; R22-T26 VanDerWaalsContact O-CB 3.31Å; R22-T26 WeakPolarHBondContact O-CB 3.39Å; R22-T26 PolarHBondContact O-N 3.27Å; R22-T26 VanDerWaalsContact O-N 3.13Å; R22-T26 PolarHBondContact O-OG1 2.88Å; R22-L342 HydrophobicContact CG-CD1 3.97Å; R22-L342 VanDerWaalsContact NE-CD1 3.34Å |
| 23 | L | 96 | Very high | 93 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 174.5 | 174.7 | 64.7 | 0 | 0 | 0 | 110.9 | I8 T19 W20 T26 T27 A322 L324 L339 L342 Y343 | I8-L23 HydrophobicContact CD1-CD1 3.84Å; I8-L23 HydrophobicContact CD1-CD2 4Å; T19-L23 WeakPolarHBondContact O-CB 3.44Å; T19-L23 PolarHBondContact O-N 2.93Å; W20-L23 HydrophobicContact CE3-CD2 4.49Å; W20-L23 PolarHBondContact O-N 3.48Å; L23-T26 PolarHBondContact O-N 2.8Å; L23-T27 HydrophobicContact CD1-CG2 4.01Å; L23-T27 PolarHBondContact O-N 2.94Å; L23-T27 PolarHBondContact O-OG1 3.31Å; L23-A322 HydrophobicContact CD2-CB 3.41Å; L23-A322 VanDerWaalsContact CD2-CB 3.41Å; L23-L324 HydrophobicContact CD1-CD2 4.39Å; L23-L324 HydrophobicContact CD2-CD1 4.19Å; L23-L339 HydrophobicContact CD1-CD2 3.55Å; L23-L342 HydrophobicContact CD1-CD2 4.39Å; L23-Y343 HydrophobicContact CD1-CE2 4.42Å |
| 24 | N | 94.9 | Very high | 93.7 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | -178.5 | -84.1 | -12 | 0 | 0 | 0 | 114 | W20 D21 T26 T27 S28 N33 | W20-N24 WeakPolarHBondContact CZ2-ND2 3.49Å; W20-N24 PolarHBondContact NE1-ND2 2.79Å; W20-N24 WeakPolarHBondContact O-CB 3.43Å; W20-N24 PolarHBondContact O-N 3.37Å; D21-N24 PolarHBondContact O-N 3.38Å; N24-T26 PolarHBondContact O-N 3.46Å; N24-T27 PolarHBondContact O-N 3.11Å; N24-S28 WeakPolarHBondContact O-CB 3.19Å; N24-S28 PolarHBondContact O-N 2.93Å; N24-S28 PolarHBondContact O-OG 3.19Å; N24-N33 WeakPolarHBondContact OD1-CB 3.43Å; N24-N33 PolarHBondContact OD1-ND2 2.92Å |
| 25 | S | 95 | Very high | 94.2 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.7 | -29.2 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | D21 R22 | D21-S25 WeakPolarHBondContact O-CB 3.39Å; D21-S25 PolarHBondContact O-N 3.05Å; D21-S25 PolarHBondContact O-OG 3.44Å; R22-S25 WeakPolarHBondContact CA-OG 3.5Å; R22-S25 PolarHBondContact O-OG 3.45Å |
| 26 | T | 95 | Very high | 94.3 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.233 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -82.2 | -41.5 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | R22 L23 N24 L338 L342 | R22-T26 VanDerWaalsContact O-CB 3.31Å; R22-T26 WeakPolarHBondContact O-CB 3.39Å; R22-T26 PolarHBondContact O-N 3.27Å; R22-T26 VanDerWaalsContact O-N 3.13Å; R22-T26 PolarHBondContact O-OG1 2.88Å; L23-T26 PolarHBondContact O-N 2.8Å; N24-T26 PolarHBondContact O-N 3.46Å; T26-L338 HydrophobicContact CG2-CD1 4.08Å; T26-L338 HydrophobicContact CG2-CD2 3.52Å; T26-L338 HydrophobicContact CG2-CG 3.54Å; T26-L338 WeakPolarHBondContact O-CD2 3.3Å; T26-L342 HydrophobicContact CG2-CD2 4.27Å |
| 27 | T | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -110.8 | -6.4 | -166.9 | 64.4 | 0 | 0 | 0 | 0 | 116.2 | L23 N24 D29 L30 S31 N33 L335 L338 L339 | L23-T27 HydrophobicContact CD1-CG2 4.01Å; L23-T27 PolarHBondContact O-N 2.94Å; L23-T27 PolarHBondContact O-OG1 3.31Å; N24-T27 PolarHBondContact O-N 3.11Å; T27-D29 PolarHBondContact O-N 2.95Å; T27-D29 VanDerWaalsContact O-N 3.1Å; T27-L30 PolarHBondContact O-N 2.8Å; T27-S31 PolarHBondContact O-N 3.19Å; T27-S31 PolarHBondContact O-OG 3.42Å; T27-N33 PolarHBondContact OG1-ND2 3.13Å; T27-L335 HydrophobicContact CG2-CD1 3.6Å; T27-L338 HydrophobicContact CG2-CD2 4.22Å; T27-L339 HydrophobicContact CG2-CD2 3.88Å; T27-L339 HydrophobicContact CG2-CG 4.34Å |
| 28 | S | 92.8 | Very high | 93.8 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 52% | 0.524 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.8 | -171.2 | 53.6 | 0 | 0 | 0 | 0 | 115.8 | N24 | N24-S28 WeakPolarHBondContact O-CB 3.19Å; N24-S28 PolarHBondContact O-N 2.93Å; N24-S28 PolarHBondContact O-OG 3.19Å |
| 29 | D | 93.7 | Very high | 93.5 | Very high | 98 Ų | 98 | 44.7 Ų | 44.7 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.2 | 173.7 | 54.1 | -41.1 | 0 | 0 | 0 | 113 | T27 N327 | T27-D29 PolarHBondContact O-N 2.95Å; T27-D29 VanDerWaalsContact O-N 3.1Å; D29-N327 PolarHBondContact O-ND2 2.8Å; D29-N327 VanDerWaalsContact O-ND2 3.14Å |
| 30 | L | 94.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -23 | -176.6 | -56.3 | -178.8 | 0 | 0 | 0 | 113.5 | T27 N327 V331 R334 L335 L338 | T27-L30 PolarHBondContact O-N 2.8Å; L30-N327 VanDerWaalsContact C-ND2 3.32Å; L30-N327 WeakPolarHBondContact O-CB 3.24Å; L30-N327 PolarHBondContact O-N 3.4Å; L30-N327 PolarHBondContact O-ND2 2.9Å; L30-V331 HydrophobicContact CB-CG2 4.43Å; L30-V331 HydrophobicContact CD2-CB 4.19Å; L30-V331 HydrophobicContact CD2-CG1 4.46Å; L30-V331 WeakPolarHBondContact O-CG2 3.42Å; L30-R334 HydrophobicContact CD1-CB 4.35Å; L30-R334 HydrophobicContact CD1-CG 3.87Å; L30-L335 HydrophobicContact CB-CB 4.3Å; L30-L335 HydrophobicContact CB-CD1 4.07Å; L30-L335 HydrophobicContact CD1-CB 4.24Å; L30-L335 HydrophobicContact CD1-CD1 4.42Å; L30-L338 HydrophobicContact CD1-CD2 4.15Å |
| 31 | S | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.4 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | T27 N33 Q325 | T27-S31 PolarHBondContact O-N 3.19Å; T27-S31 PolarHBondContact O-OG 3.42Å; S31-N33 WeakPolarHBondContact CB-OD1 3.48Å; S31-N33 PolarHBondContact O-OD1 3.42Å; S31-N33 PolarHBondContact OG-OD1 3.33Å; S31-Q325 CarbonylContact C-O 3.59Å; S31-Q325 WeakPolarHBondContact CA-O 3.33Å; S31-Q325 VanDerWaalsContact CB-O 3.26Å; S31-Q325 WeakPolarHBondContact CB-O 3.46Å |
| 32 | V | 93.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.4 | 163.5 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | Q325 | V32-Q325 HydrophobicContact CB-CB 4.42Å; V32-Q325 PolarHBondContact N-O 2.99Å; V32-Q325 PolarHBondContact O-N 2.79Å |
| 33 | N | 94.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.8 | -172.6 | -56.3 | -13.6 | 0 | 0 | 0 | 110.8 | W20 N24 T27 S31 L323 L324 | W20-N33 HydrophobicContact CH2-CB 3.92Å; W20-N33 HydrophobicContact CZ3-CB 4.33Å; N24-N33 WeakPolarHBondContact OD1-CB 3.43Å; N24-N33 PolarHBondContact OD1-ND2 2.92Å; T27-N33 PolarHBondContact OG1-ND2 3.13Å; S31-N33 WeakPolarHBondContact CB-OD1 3.48Å; S31-N33 PolarHBondContact O-OD1 3.42Å; S31-N33 PolarHBondContact OG-OD1 3.33Å; N33-L323 CarbonylContact C-O 3.52Å; N33-L323 WeakPolarHBondContact CA-O 3.19Å; N33-L324 WeakPolarHBondContact OD1-CG 3.3Å |
| 34 | H | 94.2 | Very high | 90.5 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.4 | 173.8 | -57.2 | -78.6 | 0 | 0 | 0 | 110.1 | F36 A322 L323 | H34-F36 PolarHBondContact O-N 2.85Å; H34-A322 CarbonylContact O-C 3.53Å; H34-A322 WeakPolarHBondContact O-CA 3.44Å; H34-L323 HydrophobicContact CB-CB 4.36Å; H34-L323 PolarHBondContact N-O 3.19Å; H34-L323 PolarHBondContact O-N 2.79Å |
| 35 | K | 93.1 | Very high | 90.1 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134 | 167.7 | -72.8 | -169.7 | 175.7 | -169.8 | 0 | 108.6 | W20 | W20-K35 HydrophobicContact CD2-CD 4.11Å; W20-K35 VanDerWaalsContact CD2-CE 3.45Å; W20-K35 HydrophobicContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CD2-CG 3.48Å; W20-K35 VanDerWaalsContact CE2-CG 3.49Å; W20-K35 HydrophobicContact CE3-CG 3.57Å; W20-K35 HydrophobicContact CG-CD 4.33Å; W20-K35 HydrophobicContact CG-CG 4.19Å; W20-K35 HydrophobicContact CH2-CB 4.44Å; W20-K35 HydrophobicContact CH2-CG 3.76Å; W20-K35 HydrophobicContact CZ2-CG 3.63Å; W20-K35 HydrophobicContact CZ3-CB 4.4Å; W20-K35 HydrophobicContact CZ3-CG 3.72Å |
| 36 | F | 92.9 | Very high | 89.7 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -107.8 | 99.9 | 175 | -167.9 | -88.7 | 0 | 0 | 0 | 108.7 | L7 H34 I38 F122 I298 A302 A321 L323 | L7-F36 HydrophobicContact CD1-CB 3.7Å; L7-F36 HydrophobicContact CD1-CD1 3.7Å; L7-F36 HydrophobicContact CD1-CD2 3.69Å; L7-F36 HydrophobicContact CD1-CE1 4.21Å; L7-F36 HydrophobicContact CD1-CE2 4.2Å; L7-F36 HydrophobicContact CD1-CG 3.4Å; L7-F36 VanDerWaalsContact CD1-CG 3.4Å; L7-F36 HydrophobicContact CD1-CZ 4.43Å; L7-F36 HydrophobicContact CD2-CE1 4.25Å; L7-F36 HydrophobicContact CD2-CZ 4.3Å; H34-F36 PolarHBondContact O-N 2.85Å; F36-I38 HydrophobicContact CD1-CD1 4.1Å; F36-I38 HydrophobicContact CD1-CG1 3.73Å; F36-I38 HydrophobicContact CE1-CD1 4.23Å; F36-I38 HydrophobicContact CE1-CG1 3.88Å; F36-I38 PolarHBondContact O-N 3.33Å; F36-F122 HydrophobicContact CD1-CD1 4.37Å; F36-F122 HydrophobicContact CD2-CB 4.16Å; F36-F122 HydrophobicContact CD2-CD1 4.27Å; F36-F122 HydrophobicContact CD2-CG 4.5Å; F36-F122 AromaticContact CE1-CD1 3.66Å; F36-F122 HydrophobicContact CE1-CD1 3.66Å; F36-F122 AromaticContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CG 4.49Å; F36-F122 HydrophobicContact CE2-CB 3.57Å; F36-F122 AromaticContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CE1 4.39Å; F36-F122 AromaticContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CZ-CB 4.12Å; F36-F122 AromaticContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD2 4.35Å; F36-F122 AromaticContact CZ-CE1 3.6Å; F36-F122 HydrophobicContact CZ-CE1 3.6Å; F36-F122 AromaticContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CZ 4.31Å; F36-I298 HydrophobicContact CE2-CG2 4.26Å; F36-I298 HydrophobicContact CZ-CG2 4.14Å; F36-A302 HydrophobicContact CE1-CB 3.65Å; F36-A302 HydrophobicContact CZ-CB 4.01Å; F36-A321 HydrophobicContact CB-CB 4.16Å; F36-A321 HydrophobicContact CD1-CB 4.39Å; F36-A321 PolarHBondContact N-O 3.2Å; F36-A321 VanDerWaalsContact N-O 3.08Å; F36-L323 HydrophobicContact CD2-CB 4.46Å | ||
| 37 | S | 88.3 | Confident | 89.2 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | trans | -79.3 | 111.3 | -173 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 38 | I | 87.1 | Confident | 88.8 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | trans | -103.1 | 130 | 171 | -56.1 | -180 | 0 | 0 | 0 | 107.2 | F36 L41 V305 F306 F319 A321 | F36-I38 HydrophobicContact CD1-CD1 4.1Å; F36-I38 HydrophobicContact CD1-CG1 3.73Å; F36-I38 HydrophobicContact CE1-CD1 4.23Å; F36-I38 HydrophobicContact CE1-CG1 3.88Å; F36-I38 PolarHBondContact O-N 3.33Å; I38-L41 HydrophobicContact CG2-CD1 4.38Å; I38-V305 HydrophobicContact CD1-CB 3.93Å; I38-V305 HydrophobicContact CD1-CG1 3.8Å; I38-F306 HydrophobicContact CG2-CB 4.19Å; I38-F306 HydrophobicContact CG2-CD2 4.01Å; I38-F319 HydrophobicContact CD1-CE2 4.12Å; I38-F319 HydrophobicContact CD1-CZ 4.39Å; I38-A321 HydrophobicContact CD1-CB 4.03Å; I38-A321 HydrophobicContact CG1-CB 4.48Å | ||
| 39 | P | 86.6 | Confident | 88.6 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | trans | -71.5 | 167.5 | 177.6 | 33.8 | -39.2 | 0 | 0 | 0 | 111.3 | L41 W124 | P39-L41 HydrophobicContact CG-CD2 3.86Å; P39-L41 HydrophobicContact CG-CG 4.22Å; P39-L41 PolarHBondContact O-N 3.05Å; P39-W124 HydrophobicContact CG-CB 3.89Å; P39-W124 HydrophobicContact CG-CD2 3.73Å; P39-W124 HydrophobicContact CG-CE3 4.41Å; P39-W124 HydrophobicContact CG-CG 3.44Å; P39-W124 VanDerWaalsContact CG-CG 3.44Å | ||
| 40 | D | 83.2 | Confident | 88.5 | Confident | 160 Ų | 160 | 67.1 Ų | 67.1 | 86% | 0.856 | 37% | 0.368 | S | S | * | . | trans | -68.6 | 97.8 | 170.9 | -60.2 | -41.4 | 0 | 0 | 0 | 109.9 | ||||
| 41 | L | 86.2 | Confident | 88.2 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 149.2 | 175.5 | -59.7 | 174.8 | 0 | 0 | 0 | 110.2 | I38 P39 V43 W124 L303 F306 | I38-L41 HydrophobicContact CG2-CD1 4.38Å; P39-L41 HydrophobicContact CG-CD2 3.86Å; P39-L41 HydrophobicContact CG-CG 4.22Å; P39-L41 PolarHBondContact O-N 3.05Å; L41-V43 PolarHBondContact O-N 2.91Å; L41-W124 HydrophobicContact CD1-CH2 4.26Å; L41-W124 HydrophobicContact CD2-CH2 4.39Å; L41-W124 HydrophobicContact CD2-CZ2 3.86Å; L41-L303 HydrophobicContact CD1-CD2 3.6Å; L41-F306 HydrophobicContact CB-CD1 4.31Å; L41-F306 HydrophobicContact CB-CD2 4.27Å; L41-F306 HydrophobicContact CB-CE1 3.89Å; L41-F306 HydrophobicContact CB-CE2 3.85Å; L41-F306 HydrophobicContact CB-CG 4.49Å; L41-F306 HydrophobicContact CB-CZ 3.65Å; L41-F306 HydrophobicContact CD1-CB 4.3Å; L41-F306 HydrophobicContact CD1-CD1 4.12Å; L41-F306 HydrophobicContact CD1-CD2 4.14Å; L41-F306 HydrophobicContact CD1-CG 3.92Å; L41-F306 HydrophobicContact CG-CD2 4.42Å; L41-F306 HydrophobicContact CG-CE2 4.42Å; L41-F306 WeakPolarHBondContact O-CZ 3.49Å |
| 42 | K | 82.9 | Confident | 88 | Confident | 209 Ų | 209 | 72 Ų | 72 | 91% | 0.909 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 128.8 | 175.9 | -70.7 | -174.9 | 179.1 | -179.2 | 0 | 110 | ||
| 43 | V | 82.1 | Confident | 87.9 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 126.3 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | L41 L49 F306 V310 L315 V317 | L41-V43 PolarHBondContact O-N 2.91Å; V43-L49 HydrophobicContact CG1-CD1 3.81Å; V43-L49 HydrophobicContact CG1-CD2 4.5Å; V43-F306 HydrophobicContact CG2-CE1 4.24Å; V43-F306 HydrophobicContact CG2-CZ 3.83Å; V43-V310 HydrophobicContact CG1-CG1 4Å; V43-L315 HydrophobicContact CG1-CD2 4.33Å; V43-L315 HydrophobicContact CG2-CD2 4.25Å; V43-V317 HydrophobicContact CG2-CG2 3.64Å |
| 44 | G | 79.4 | Confident | 87.7 | Confident | 42 Ų | 42 | 73.8 Ų | 73.8 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | trans | -80.7 | -158.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | T | 87.6 | Confident | 87.6 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -73.4 | 158.3 | 169.9 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | D47 Q48 L49 | T45-D47 PolarHBondContact O-N 2.86Å; T45-Q48 WeakPolarHBondContact O-CB 3.49Å; T45-Q48 PolarHBondContact O-N 2.73Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.23Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.47Å; T45-Q48 PolarHBondContact OG1-N 2.94Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 2.82Å | ||
| 46 | L | 85.2 | Confident | 87.6 | Confident | 121 Ų | 121 | 73.4 Ų | 73.4 | 63% | 0.634 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.1 | -41.1 | 176.1 | -172.5 | 70 | 0 | 0 | 0 | 111.7 | Q48 L49 V50 L311 | L46-Q48 PolarHBondContact O-N 2.83Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.73Å; L46-L49 VanDerWaalsContact O-N 3.14Å; L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 2.82Å; L46-L311 HydrophobicContact CD1-CD2 3.64Å |
| 47 | D | 86.1 | Confident | 87.6 | Confident | 135 Ų | 135 | 74.3 Ų | 74.3 | 72% | 0.722 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -58.8 | -44.1 | 175.8 | -175 | 73.7 | 0 | 0 | 0 | 112.3 | T45 L49 V50 G51 | T45-D47 PolarHBondContact O-N 2.86Å; D47-L49 VanDerWaalsContact C-N 3.34Å; D47-L49 PolarHBondContact O-N 3.33Å; D47-V50 PolarHBondContact O-N 2.79Å; D47-G51 PolarHBondContact O-N 2.8Å; D47-G51 VanDerWaalsContact O-N 3.15Å |
| 48 | Q | 87.6 | Confident | 87.9 | Confident | 106 Ų | 106 | 76.7 Ų | 76.7 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 174.1 | -73.3 | 169.4 | -16.7 | 0 | 0 | 112.1 | T45 L46 G51 L52 | T45-Q48 WeakPolarHBondContact O-CB 3.49Å; T45-Q48 PolarHBondContact O-N 2.73Å; T45-Q48 VanDerWaalsContact O-N 3.14Å; T45-Q48 VanDerWaalsContact OG1-CG 3.23Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.47Å; T45-Q48 PolarHBondContact OG1-N 2.94Å; L46-Q48 PolarHBondContact O-N 2.83Å; Q48-G51 PolarHBondContact O-N 3.2Å; Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.46Å; Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3Å |
| 49 | L | 88.7 | Confident | 88.2 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.4 | -68.2 | 175 | 0 | 0 | 0 | 112.2 | V43 T45 L46 D47 L52 S53 V307 V310 L311 | V43-L49 HydrophobicContact CG1-CD1 3.81Å; V43-L49 HydrophobicContact CG1-CD2 4.5Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 2.82Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.73Å; L46-L49 VanDerWaalsContact O-N 3.14Å; D47-L49 VanDerWaalsContact C-N 3.34Å; D47-L49 PolarHBondContact O-N 3.33Å; L49-L52 PolarHBondContact O-N 3.06Å; L49-S53 PolarHBondContact O-N 2.9Å; L49-V307 HydrophobicContact CB-CG1 4.35Å; L49-V307 HydrophobicContact CD2-CG1 4.32Å; L49-V307 HydrophobicContact CD2-CG2 4.22Å; L49-V307 WeakPolarHBondContact O-CG1 3.4Å; L49-V310 HydrophobicContact CD1-CB 4.3Å; L49-V310 HydrophobicContact CD1-CG1 3.57Å; L49-L311 HydrophobicContact CB-CD2 3.71Å; L49-L311 HydrophobicContact CB-CG 4.12Å; L49-L311 HydrophobicContact CD1-CD2 4.41Å |
| 50 | V | 90.2 | Very high | 88.5 | Confident | 77 Ų | 77 | 75.5 Ų | 75.5 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.8 | 174 | 0 | 0 | 0 | 0 | 110.1 | L46 D47 L52 S53 D54 L311 | L46-V50 WeakPolarHBondContact O-CG2 3.43Å; L46-V50 PolarHBondContact O-N 2.82Å; D47-V50 PolarHBondContact O-N 2.79Å; V50-L52 PolarHBondContact O-N 3.12Å; V50-S53 WeakPolarHBondContact O-CB 3.32Å; V50-S53 PolarHBondContact O-N 2.91Å; V50-D54 PolarHBondContact O-N 3.06Å; V50-L311 HydrophobicContact CG2-CD2 3.96Å |
| 51 | G | 89.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 72.9 Ų | 72.9 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D47 Q48 S53 D54 D55 | D47-G51 PolarHBondContact O-N 2.8Å; D47-G51 VanDerWaalsContact O-N 3.15Å; Q48-G51 PolarHBondContact O-N 3.2Å; G51-S53 VanDerWaalsContact C-N 3.29Å; G51-S53 PolarHBondContact O-N 3.06Å; G51-D54 PolarHBondContact O-N 2.9Å; G51-D55 PolarHBondContact O-N 2.89Å; G51-D55 VanDerWaalsContact O-N 3.12Å |
| 52 | L | 89 | Confident | 89.5 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 176.2 | -77.7 | 170.3 | 0 | 0 | 0 | 112.7 | Q48 L49 V50 D55 L56 | Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.46Å; Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3Å; L49-L52 PolarHBondContact O-N 3.06Å; V50-L52 PolarHBondContact O-N 3.12Å; L52-D55 PolarHBondContact O-N 3.11Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 WeakPolarHBondContact O-CD1 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 2.83Å |
| 53 | S | 91.1 | Very high | 90 | Very high | 28 Ų | 28 | 64.4 Ų | 64.4 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | L49 V50 G51 A57 | L49-S53 PolarHBondContact O-N 2.9Å; V50-S53 WeakPolarHBondContact O-CB 3.32Å; V50-S53 PolarHBondContact O-N 2.91Å; G51-S53 VanDerWaalsContact C-N 3.29Å; G51-S53 PolarHBondContact O-N 3.06Å; S53-A57 WeakPolarHBondContact O-CB 3.34Å; S53-A57 PolarHBondContact O-N 3.27Å |
| 54 | D | 91.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 179 | -72 | -21.3 | 0 | 0 | 0 | 112.1 | V50 G51 A57 K58 | V50-D54 PolarHBondContact O-N 3.06Å; G51-D54 PolarHBondContact O-N 2.9Å; D54-A57 PolarHBondContact O-N 3.37Å; D54-K58 WeakPolarHBondContact O-CG 3.25Å; D54-K58 PolarHBondContact O-N 3.02Å; D54-K58 VanDerWaalsContact O-N 3.09Å |
| 55 | D | 91.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 64.1 Ų | 64.1 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 179.9 | -75.2 | -16.6 | 0 | 0 | 0 | 112.3 | G51 L52 A57 K58 L59 | G51-D55 PolarHBondContact O-N 2.89Å; G51-D55 VanDerWaalsContact O-N 3.12Å; L52-D55 PolarHBondContact O-N 3.11Å; D55-A57 VanDerWaalsContact C-N 3.35Å; D55-K58 PolarHBondContact O-N 3.49Å; D55-K58 IonicContact OD1-NZ 2.79Å; D55-L59 WeakPolarHBondContact O-CB 3.46Å; D55-L59 PolarHBondContact O-N 3.09Å |
| 56 | L | 92.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 175.2 | -72 | 169.5 | 0 | 0 | 0 | 111.7 | L52 L59 D60 V300 L303 R304 V307 | L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 WeakPolarHBondContact O-CD1 3.31Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 2.83Å; L56-L59 PolarHBondContact O-N 3.3Å; L56-D60 VanDerWaalsContact O-CB 3.27Å; L56-D60 WeakPolarHBondContact O-CB 3.35Å; L56-D60 PolarHBondContact O-N 2.89Å; L56-V300 HydrophobicContact CD2-CG1 4.37Å; L56-L303 HydrophobicContact CD1-CB 3.94Å; L56-L303 HydrophobicContact CD2-CB 3.89Å; L56-L303 HydrophobicContact CD2-CD1 4.03Å; L56-R304 HydrophobicContact CB-CG 3.61Å; L56-R304 HydrophobicContact CD1-CG 4.5Å; L56-V307 HydrophobicContact CD1-CB 4.27Å; L56-V307 HydrophobicContact CD1-CG2 3.74Å |
| 57 | A | 93.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 21% | 0.207 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S53 D54 D55 N61 | S53-A57 WeakPolarHBondContact O-CB 3.34Å; S53-A57 PolarHBondContact O-N 3.27Å; D54-A57 PolarHBondContact O-N 3.37Å; D55-A57 VanDerWaalsContact C-N 3.35Å; A57-N61 PolarHBondContact O-N 3Å; A57-N61 PolarHBondContact O-ND2 3.08Å |
| 58 | K | 94.6 | Very high | 92.6 | Very high | 132 Ų | 132 | 51.4 Ų | 51.4 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 173.5 | -68.3 | 168.6 | -166.7 | 158.5 | 0 | 111.5 | D54 D55 N61 Y62 | D54-K58 WeakPolarHBondContact O-CG 3.25Å; D54-K58 PolarHBondContact O-N 3.02Å; D54-K58 VanDerWaalsContact O-N 3.09Å; D55-K58 PolarHBondContact O-N 3.49Å; D55-K58 IonicContact OD1-NZ 2.79Å; K58-N61 PolarHBondContact O-N 3.16Å; K58-Y62 WeakPolarHBondContact O-CB 3.38Å; K58-Y62 PolarHBondContact O-N 3.49Å |
| 59 | L | 93.1 | Very high | 93 | Very high | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 179.7 | -176.9 | 59.7 | 0 | 0 | 0 | 112.2 | D55 L56 Y62 A63 P130 V132 V300 | D55-L59 WeakPolarHBondContact O-CB 3.46Å; D55-L59 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 3.3Å; L59-Y62 PolarHBondContact O-N 3.41Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.16Å; L59-A63 PolarHBondContact O-N 3.32Å; L59-P130 HydrophobicContact CD2-CB 4.48Å; L59-P130 HydrophobicContact CD2-CG 3.91Å; L59-V132 HydrophobicContact CD1-CG2 4.04Å; L59-V300 HydrophobicContact CB-CG1 4.33Å; L59-V300 HydrophobicContact CD2-CG1 4.36Å; L59-V300 HydrophobicContact CD2-CG2 3.73Å; L59-V300 HydrophobicContact CG-CG1 4.18Å; L59-V300 HydrophobicContact CG-CG2 3.91Å |
| 60 | D | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -52 | 175.6 | -176.4 | 14.8 | 0 | 0 | 0 | 110.8 | L56 Y62 A63 E64 W297 V300 K301 R304 | L56-D60 VanDerWaalsContact O-CB 3.27Å; L56-D60 WeakPolarHBondContact O-CB 3.35Å; L56-D60 PolarHBondContact O-N 2.89Å; D60-Y62 VanDerWaalsContact C-N 3.3Å; D60-Y62 PolarHBondContact O-N 3.38Å; D60-A63 PolarHBondContact O-N 2.77Å; D60-E64 WeakPolarHBondContact O-CB 3.45Å; D60-E64 PolarHBondContact O-N 2.97Å; D60-W297 PolarHBondContact O-NE1 3.03Å; D60-W297 VanDerWaalsContact OD1-CD1 3.27Å; D60-W297 PolarHBondContact OD1-NE1 3.26Å; D60-V300 HydrophobicContact CB-CG1 3.84Å; D60-K301 VanDerWaalsContact CG-NZ 3.32Å; D60-K301 IonicContact OD1-NZ 3.06Å; D60-K301 PolarHBondContact OD1-NZ 3.28Å; D60-K301 IonicContact OD2-NZ 3.36Å; D60-K301 PolarHBondContact OD2-NZ 2.83Å; D60-K301 VanDerWaalsContact OD2-NZ 3.08Å; D60-R304 WeakPolarHBondContact OD2-CD 3.21Å; D60-R304 IonicContact OD2-CZ 3.56Å; D60-R304 IonicContact OD2-NE 2.9Å; D60-R304 IonicContact OD2-NH1 3.24Å; D60-R304 PolarHBondContact OD2-NH1 2.9Å |
| 61 | N | 95 | Very high | 93.6 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61 | -39.6 | 177.3 | -69.3 | -31.1 | 0 | 0 | 0 | 112.1 | A57 K58 S65 | A57-N61 PolarHBondContact O-N 3Å; A57-N61 PolarHBondContact O-ND2 3.08Å; K58-N61 PolarHBondContact O-N 3.16Å; N61-S65 WeakPolarHBondContact O-CB 3.33Å; N61-S65 PolarHBondContact O-N 2.99Å |
| 62 | Y | 95.2 | Very high | 93.8 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68 | -47.1 | 177.9 | -177.8 | -124.6 | 0 | 0 | 0 | 111.8 | K58 L59 D60 E64 S65 V66 V132 D136 | K58-Y62 WeakPolarHBondContact O-CB 3.38Å; K58-Y62 PolarHBondContact O-N 3.49Å; L59-Y62 PolarHBondContact O-N 3.41Å; D60-Y62 VanDerWaalsContact C-N 3.3Å; D60-Y62 PolarHBondContact O-N 3.38Å; Y62-E64 VanDerWaalsContact C-N 3.32Å; Y62-E64 PolarHBondContact O-N 3.11Å; Y62-S65 WeakPolarHBondContact O-CB 3.48Å; Y62-S65 PolarHBondContact O-N 3.46Å; Y62-V66 HydrophobicContact CD2-CG2 4.13Å; Y62-V66 HydrophobicContact CE1-CG2 4.37Å; Y62-V66 HydrophobicContact CE2-CG2 3.72Å; Y62-V66 WeakPolarHBondContact O-CG2 3.28Å; Y62-V66 PolarHBondContact O-N 3.01Å; Y62-V132 HydrophobicContact CD1-CB 4.19Å; Y62-V132 HydrophobicContact CD1-CG1 3.56Å; Y62-V132 HydrophobicContact CE1-CB 4.04Å; Y62-V132 HydrophobicContact CE1-CG1 3.5Å; Y62-V132 HydrophobicContact CG-CG1 4.41Å; Y62-D136 WeakPolarHBondContact OH-CB 3.31Å; Y62-D136 PolarHBondContact OH-OD2 3.3Å |
| 63 | A | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L59 D60 V66 T67 V132 M293 W297 | L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.16Å; L59-A63 PolarHBondContact O-N 3.32Å; D60-A63 PolarHBondContact O-N 2.77Å; A63-V66 PolarHBondContact O-N 3.05Å; A63-T67 WeakPolarHBondContact O-CB 3.46Å; A63-T67 PolarHBondContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 2.86Å; A63-V132 HydrophobicContact CB-CG1 4.35Å; A63-V132 HydrophobicContact CB-CG2 4.24Å; A63-M293 HydrophobicContact CB-CE 4.12Å; A63-W297 HydrophobicContact CB-CB 4.16Å; A63-W297 HydrophobicContact CB-CG 4.2Å |
| 64 | E | 94.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 172.7 | -179 | 165.6 | -175.1 | 0 | 0 | 111.3 | D60 Y62 V66 T67 R68 W297 | D60-E64 WeakPolarHBondContact O-CB 3.45Å; D60-E64 PolarHBondContact O-N 2.97Å; Y62-E64 VanDerWaalsContact C-N 3.32Å; Y62-E64 PolarHBondContact O-N 3.11Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 3.36Å; E64-T67 PolarHBondContact O-N 2.87Å; E64-R68 HydrophobicContact CG-CG 4.42Å; E64-R68 WeakPolarHBondContact O-CG 3.41Å; E64-R68 PolarHBondContact O-N 2.94Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 VanDerWaalsContact OE1-CZ 3.24Å; E64-R68 IonicContact OE1-NE 2.75Å; E64-R68 PolarHBondContact OE1-NE 2.83Å; E64-R68 IonicContact OE1-NH2 3.68Å; E64-R68 PolarHBondContact OE1-NH2 3.1Å; E64-W297 HydrophobicContact CB-CD2 4.35Å; E64-W297 HydrophobicContact CB-CH2 4.18Å; E64-W297 HydrophobicContact CB-CZ2 3.49Å; E64-W297 VanDerWaalsContact CB-CZ2 3.49Å; E64-W297 HydrophobicContact CG-CH2 3.66Å; E64-W297 HydrophobicContact CG-CZ2 3.39Å; E64-W297 HydrophobicContact CG-CZ3 4.48Å; E64-W297 WeakPolarHBondContact OE2-CZ2 3.32Å |
| 65 | S | 95.5 | Very high | 94.3 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 179.8 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | N61 Y62 R68 K69 | N61-S65 WeakPolarHBondContact O-CB 3.33Å; N61-S65 PolarHBondContact O-N 2.99Å; Y62-S65 WeakPolarHBondContact O-CB 3.48Å; Y62-S65 PolarHBondContact O-N 3.46Å; S65-R68 PolarHBondContact O-N 2.92Å; S65-K69 VanDerWaalsContact O-CG 3.27Å; S65-K69 WeakPolarHBondContact O-CG 3.41Å; S65-K69 PolarHBondContact O-N 3.41Å; S65-K69 WeakPolarHBondContact OG-CE 3.29Å |
| 66 | V | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -42.2 | 178.9 | 177 | 0 | 0 | 0 | 0 | 111.1 | Y62 A63 E64 R68 K69 L70 V132 D136 M293 | Y62-V66 HydrophobicContact CD2-CG2 4.13Å; Y62-V66 HydrophobicContact CE1-CG2 4.37Å; Y62-V66 HydrophobicContact CE2-CG2 3.72Å; Y62-V66 WeakPolarHBondContact O-CG2 3.28Å; Y62-V66 PolarHBondContact O-N 3.01Å; A63-V66 PolarHBondContact O-N 3.05Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 3.36Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.46Å; V66-K69 PolarHBondContact O-N 3.44Å; V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 PolarHBondContact O-N 2.87Å; V66-V132 HydrophobicContact CB-CG1 4.1Å; V66-V132 HydrophobicContact CG1-CG1 4.43Å; V66-V132 HydrophobicContact CG2-CG1 3.91Å; V66-D136 HydrophobicContact CG1-CB 3.94Å; V66-D136 HydrophobicContact CG2-CB 3.76Å; V66-M293 HydrophobicContact CB-SD 4.15Å; V66-M293 HydrophobicContact CG1-CG 4.29Å; V66-M293 HydrophobicContact CG1-SD 3.74Å |
| 67 | T | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | A63 E64 L70 V71 F290 M293 F294 W297 L385 | A63-T67 WeakPolarHBondContact O-CB 3.46Å; A63-T67 PolarHBondContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 2.86Å; E64-T67 PolarHBondContact O-N 2.87Å; T67-L70 PolarHBondContact O-N 3.38Å; T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 3.44Å; T67-F290 HydrophobicContact CG2-CD2 4.49Å; T67-F290 HydrophobicContact CG2-CE2 4.14Å; T67-M293 WeakPolarHBondContact OG1-CG 3.41Å; T67-F294 HydrophobicContact CG2-CD2 4.2Å; T67-W297 HydrophobicContact CG2-CE3 4.36Å; T67-L385 HydrophobicContact CG2-CD1 4.24Å; T67-L385 HydrophobicContact CG2-CD2 4.46Å |
| 68 | R | 95.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 24% | 0.242 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 178.9 | -70.9 | -178.4 | -177.3 | -68.4 | -7.1 | 112.1 | E64 S65 V66 L70 V71 Q72 N382 D384 L385 | E64-R68 HydrophobicContact CG-CG 4.42Å; E64-R68 WeakPolarHBondContact O-CG 3.41Å; E64-R68 PolarHBondContact O-N 2.94Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 VanDerWaalsContact OE1-CZ 3.24Å; E64-R68 IonicContact OE1-NE 2.75Å; E64-R68 PolarHBondContact OE1-NE 2.83Å; E64-R68 IonicContact OE1-NH2 3.68Å; E64-R68 PolarHBondContact OE1-NH2 3.1Å; S65-R68 PolarHBondContact O-N 2.92Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.46Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.14Å; R68-V71 PolarHBondContact O-N 3.39Å; R68-Q72 WeakPolarHBondContact O-CB 3.42Å; R68-Q72 PolarHBondContact O-N 3.39Å; R68-N382 PolarHBondContact NH2-O 2.85Å; R68-D384 PolarHBondContact NH1-O 3.46Å; R68-L385 HydrophobicContact CG-CD2 4.48Å |
| 69 | K | 95.8 | Very high | 93.8 | Very high | 97 Ų | 97 | 35.3 Ų | 35.3 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 174.6 | -74.5 | 170.4 | -172.9 | 166.7 | 0 | 111.9 | S65 V66 Q72 Y73 L139 | S65-K69 VanDerWaalsContact O-CG 3.27Å; S65-K69 WeakPolarHBondContact O-CG 3.41Å; S65-K69 PolarHBondContact O-N 3.41Å; S65-K69 WeakPolarHBondContact OG-CE 3.29Å; V66-K69 PolarHBondContact O-N 3.44Å; K69-Q72 PolarHBondContact O-N 3.21Å; K69-Y73 WeakPolarHBondContact O-CB 3.43Å; K69-Y73 PolarHBondContact O-N 3.28Å; K69-L139 HydrophobicContact CB-CD2 4.17Å |
| 70 | L | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 177.9 | -169.2 | 159.8 | 0 | 0 | 0 | 110.8 | V66 T67 R68 Y73 F74 I135 L139 L286 N289 F290 | V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 PolarHBondContact O-N 2.87Å; T67-L70 PolarHBondContact O-N 3.38Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 3.14Å; L70-Y73 PolarHBondContact O-N 3.48Å; L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-F74 PolarHBondContact O-N 3.05Å; L70-I135 HydrophobicContact CD1-CG2 4.31Å; L70-L139 HydrophobicContact CB-CD2 3.99Å; L70-L286 HydrophobicContact CD2-CD2 4.12Å; L70-L286 HydrophobicContact CG-CD2 4.08Å; L70-N289 HydrophobicContact CD1-CB 3.95Å; L70-F290 HydrophobicContact CD2-CB 3.7Å; L70-F290 HydrophobicContact CD2-CD2 4.3Å; L70-F290 HydrophobicContact CD2-CG 4.47Å |
| 71 | V | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 178.3 | 172 | 0 | 0 | 0 | 0 | 111.8 | T67 R68 Y73 F74 S75 L85 L89 F290 L385 T386 | T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 3.44Å; R68-V71 PolarHBondContact O-N 3.39Å; V71-Y73 PolarHBondContact O-N 3.41Å; V71-F74 PolarHBondContact O-N 2.95Å; V71-S75 PolarHBondContact O-N 3.14Å; V71-L85 HydrophobicContact CG1-CD2 4.16Å; V71-L89 HydrophobicContact CG1-CD1 3.84Å; V71-L89 HydrophobicContact CG2-CD1 4.04Å; V71-L89 HydrophobicContact CG2-CD2 3.92Å; V71-F290 HydrophobicContact CG2-CD2 3.72Å; V71-F290 HydrophobicContact CG2-CE2 3.61Å; V71-L385 HydrophobicContact CB-CB 4.29Å; V71-L385 HydrophobicContact CG1-CB 3.97Å; V71-L385 HydrophobicContact CG2-CB 4.07Å; V71-L385 HydrophobicContact CG2-CD1 3.91Å; V71-T386 HydrophobicContact CG1-CG2 4.08Å |
| 72 | Q | 94.2 | Very high | 92.4 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -48.2 | 177.2 | 178.5 | 57 | 31.5 | 0 | 0 | 111 | R68 K69 F74 S75 E76 | R68-Q72 WeakPolarHBondContact O-CB 3.42Å; R68-Q72 PolarHBondContact O-N 3.39Å; K69-Q72 PolarHBondContact O-N 3.21Å; Q72-F74 VanDerWaalsContact C-N 3.32Å; Q72-F74 PolarHBondContact O-N 3.13Å; Q72-S75 WeakPolarHBondContact O-CB 2.93Å; Q72-S75 PolarHBondContact O-N 2.96Å; Q72-E76 PolarHBondContact NE2-OE1 2.73Å; Q72-E76 WeakPolarHBondContact O-CG 3.21Å; Q72-E76 PolarHBondContact O-N 2.86Å |
| 73 | Y | 95.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -36.3 | 177.9 | -172.4 | -120.5 | 0 | 0 | 0 | 112.5 | K69 L70 V71 S75 E76 I77 L139 T143 N147 L286 | K69-Y73 WeakPolarHBondContact O-CB 3.43Å; K69-Y73 PolarHBondContact O-N 3.28Å; L70-Y73 PolarHBondContact O-N 3.48Å; V71-Y73 PolarHBondContact O-N 3.41Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; Y73-S75 PolarHBondContact O-N 3.22Å; Y73-E76 WeakPolarHBondContact O-CB 3.33Å; Y73-E76 PolarHBondContact O-N 2.67Å; Y73-I77 HydrophobicContact CD1-CD1 4.16Å; Y73-I77 HydrophobicContact CD1-CG1 4.42Å; Y73-I77 HydrophobicContact CD2-CG1 4.48Å; Y73-I77 HydrophobicContact CE1-CD1 3.39Å; Y73-I77 HydrophobicContact CE1-CG1 3.96Å; Y73-I77 HydrophobicContact CE2-CD1 4.21Å; Y73-I77 HydrophobicContact CE2-CG1 3.99Å; Y73-I77 VanDerWaalsContact CZ-CD1 3.43Å; Y73-I77 PolarHBondContact O-N 3.41Å; Y73-I77 WeakPolarHBondContact OH-CD1 3.44Å; Y73-L139 HydrophobicContact CD1-CD1 3.89Å; Y73-T143 HydrophobicContact CD2-CG2 3.99Å; Y73-T143 HydrophobicContact CE1-CG2 4.46Å; Y73-T143 WeakPolarHBondContact CE1-OG1 3.49Å; Y73-T143 HydrophobicContact CE2-CG2 3.62Å; Y73-T143 WeakPolarHBondContact OH-CA 3.39Å; Y73-N147 PolarHBondContact OH-OD1 3.36Å; Y73-L286 HydrophobicContact CD1-CD1 4.44Å; Y73-L286 HydrophobicContact CD1-CD2 4.16Å |
| 74 | F | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.5 | -159 | 174.2 | 0 | 0 | 0 | 111.2 | L70 V71 Q72 E76 I77 L78 L85 N88 L89 V283 L286 K287 | L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-F74 PolarHBondContact O-N 3.05Å; V71-F74 PolarHBondContact O-N 2.95Å; Q72-F74 VanDerWaalsContact C-N 3.32Å; Q72-F74 PolarHBondContact O-N 3.13Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 2.76Å; F74-I77 PolarHBondContact O-N 3.25Å; F74-L78 HydrophobicContact CD2-CD1 4.11Å; F74-L78 HydrophobicContact CD2-CG 4.02Å; F74-L78 HydrophobicContact CE2-CD1 4.12Å; F74-L78 HydrophobicContact CE2-CD2 4.11Å; F74-L78 HydrophobicContact CE2-CG 4.06Å; F74-L78 WeakPolarHBondContact O-CG 3.38Å; F74-L78 PolarHBondContact O-N 3.4Å; F74-L78 VanDerWaalsContact O-N 3.12Å; F74-L85 HydrophobicContact CB-CD1 4Å; F74-L85 HydrophobicContact CD1-CD1 4.25Å; F74-L85 HydrophobicContact CG-CD1 4.03Å; F74-N88 HydrophobicContact CE1-CB 3.76Å; F74-N88 HydrophobicContact CE2-CB 4.45Å; F74-N88 HydrophobicContact CZ-CB 3.59Å; F74-L89 HydrophobicContact CD1-CD2 3.94Å; F74-L89 HydrophobicContact CE1-CD2 4.41Å; F74-V283 HydrophobicContact CE2-CB 4.43Å; F74-V283 HydrophobicContact CE2-CG1 3.92Å; F74-V283 HydrophobicContact CE2-CG2 4.29Å; F74-V283 HydrophobicContact CZ-CG1 3.99Å; F74-L286 HydrophobicContact CB-CD1 4.18Å; F74-L286 HydrophobicContact CD1-CB 3.86Å; F74-L286 HydrophobicContact CD2-CB 4.24Å; F74-L286 HydrophobicContact CD2-CD1 3.77Å; F74-L286 HydrophobicContact CE1-CB 3.98Å; F74-L286 HydrophobicContact CE2-CB 4.36Å; F74-L286 HydrophobicContact CE2-CD1 4.32Å; F74-L286 HydrophobicContact CG-CB 4Å; F74-L286 HydrophobicContact CG-CD1 3.98Å; F74-L286 HydrophobicContact CZ-CB 4.22Å; F74-K287 HydrophobicContact CE1-CG 3.82Å; F74-K287 HydrophobicContact CZ-CG 3.73Å |
| 75 | S | 93.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 172.6 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | V71 Q72 Y73 R82 | V71-S75 PolarHBondContact O-N 3.14Å; Q72-S75 WeakPolarHBondContact O-CB 2.93Å; Q72-S75 PolarHBondContact O-N 2.96Å; Y73-S75 VanDerWaalsContact C-N 3.33Å; Y73-S75 PolarHBondContact O-N 3.22Å; S75-R82 WeakPolarHBondContact O-CG 3.28Å; S75-R82 PolarHBondContact O-NE 3.31Å |
| 76 | E | 92.1 | Very high | 90.6 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 178.6 | -73.1 | 170.3 | -163.1 | 0 | 0 | 112.9 | Q72 Y73 F74 E79 | Q72-E76 PolarHBondContact NE2-OE1 2.73Å; Q72-E76 WeakPolarHBondContact O-CG 3.21Å; Q72-E76 PolarHBondContact O-N 2.86Å; Y73-E76 WeakPolarHBondContact O-CB 3.33Å; Y73-E76 PolarHBondContact O-N 2.67Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 2.76Å; E76-E79 PolarHBondContact O-N 3.01Å |
| 77 | I | 92.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.8 | -34.1 | 179.1 | -73.7 | -157.5 | 0 | 0 | 0 | 112.5 | Y73 F74 E79 Y146 F279 L282 V283 L286 | Y73-I77 HydrophobicContact CD1-CD1 4.16Å; Y73-I77 HydrophobicContact CD1-CG1 4.42Å; Y73-I77 HydrophobicContact CD2-CG1 4.48Å; Y73-I77 HydrophobicContact CE1-CD1 3.39Å; Y73-I77 HydrophobicContact CE1-CG1 3.96Å; Y73-I77 HydrophobicContact CE2-CD1 4.21Å; Y73-I77 HydrophobicContact CE2-CG1 3.99Å; Y73-I77 VanDerWaalsContact CZ-CD1 3.43Å; Y73-I77 PolarHBondContact O-N 3.41Å; Y73-I77 WeakPolarHBondContact OH-CD1 3.44Å; F74-I77 PolarHBondContact O-N 3.25Å; I77-E79 PolarHBondContact O-N 3.12Å; I77-Y146 HydrophobicContact CD1-CD1 3.87Å; I77-Y146 HydrophobicContact CD1-CE1 4.09Å; I77-Y146 HydrophobicContact CD1-CG 4.44Å; I77-Y146 HydrophobicContact CG1-CD1 4.4Å; I77-Y146 HydrophobicContact CG1-CE1 4.36Å; I77-F279 HydrophobicContact CG2-CD2 3.79Å; I77-F279 HydrophobicContact CG2-CE2 3.4Å; I77-F279 HydrophobicContact CG2-CZ 4.4Å; I77-F279 WeakPolarHBondContact O-CE2 3.5Å; I77-L282 HydrophobicContact CD1-CD2 3.21Å; I77-L282 HydrophobicContact CD1-CG 3.72Å; I77-V283 HydrophobicContact CG2-CG2 4.23Å; I77-L286 HydrophobicContact CD1-CD1 4.24Å |
| 78 | L | 90.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -15.8 | -179.6 | -72.8 | 175.2 | 0 | 0 | 0 | 113.1 | F74 D80 Q81 L85 | F74-L78 HydrophobicContact CD2-CD1 4.11Å; F74-L78 HydrophobicContact CD2-CG 4.02Å; F74-L78 HydrophobicContact CE2-CD1 4.12Å; F74-L78 HydrophobicContact CE2-CD2 4.11Å; F74-L78 HydrophobicContact CE2-CG 4.06Å; F74-L78 WeakPolarHBondContact O-CG 3.38Å; F74-L78 PolarHBondContact O-N 3.4Å; F74-L78 VanDerWaalsContact O-N 3.12Å; L78-D80 PolarHBondContact O-N 3.18Å; L78-Q81 HydrophobicContact CB-CB 4.37Å; L78-Q81 WeakPolarHBondContact O-CB 3.3Å; L78-Q81 PolarHBondContact O-N 2.86Å; L78-L85 HydrophobicContact CD1-CB 4.16Å; L78-L85 HydrophobicContact CD1-CD1 4.08Å |
| 79 | E | 85.4 | Confident | 89.4 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | 46.6 | -104 | 176.3 | -65.6 | 179.2 | 176.6 | 0 | 0 | 112 | E76 I77 Q81 R82 K150 | E76-E79 PolarHBondContact O-N 3.01Å; I77-E79 PolarHBondContact O-N 3.12Å; E79-Q81 PolarHBondContact O-N 2.79Å; E79-R82 WeakPolarHBondContact O-CD 3.05Å; E79-R82 VanDerWaalsContact O-CG 3.29Å; E79-R82 WeakPolarHBondContact O-CG 3.2Å; E79-K150 VanDerWaalsContact OE1-CE 3.26Å; E79-K150 WeakPolarHBondContact OE1-CE 3.27Å; E79-K150 IonicContact OE1-NZ 3.52Å; E79-K150 PolarHBondContact OE1-NZ 3.23Å |
| 80 | D | 82.5 | Confident | 89 | Confident | 159 Ų | 159 | 57.9 Ų | 57.9 | 85% | 0.85 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -74.4 | -10.2 | -179.4 | -59.1 | -36.2 | 0 | 0 | 0 | 114.1 | L78 | L78-D80 PolarHBondContact O-N 3.18Š|
| 81 | Q | 85.5 | Confident | 88.4 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -107.8 | 25.3 | -178.5 | -56.6 | -171.8 | 4.1 | 0 | 0 | 112.9 | L78 E79 D83 K84 | L78-Q81 HydrophobicContact CB-CB 4.37Å; L78-Q81 WeakPolarHBondContact O-CB 3.3Å; L78-Q81 PolarHBondContact O-N 2.86Å; E79-Q81 PolarHBondContact O-N 2.79Å; Q81-D83 VanDerWaalsContact CA-OD1 3.3Å; Q81-D83 WeakPolarHBondContact CA-OD1 3.49Å; Q81-D83 PolarHBondContact O-N 2.76Å; Q81-K84 HydrophobicContact CB-CD 4.34Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 3.46Å |
| 82 | R | 85.5 | Confident | 87.7 | Confident | 139 Ų | 139 | 61.6 Ų | 61.6 | 53% | 0.525 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -59.3 | -29 | 179.4 | -84 | 172 | -178.2 | 159.6 | 2.6 | 113.5 | S75 E79 K84 L85 | S75-R82 WeakPolarHBondContact O-CG 3.28Å; S75-R82 PolarHBondContact O-NE 3.31Å; E79-R82 WeakPolarHBondContact O-CD 3.05Å; E79-R82 VanDerWaalsContact O-CG 3.29Å; E79-R82 WeakPolarHBondContact O-CG 3.2Å; R82-K84 PolarHBondContact O-N 3.44Å; R82-L85 VanDerWaalsContact O-CB 3.24Å; R82-L85 WeakPolarHBondContact O-CB 3.3Å; R82-L85 PolarHBondContact O-N 3.37Å; R82-L85 VanDerWaalsContact O-N 3.08Å |
| 83 | D | 84.6 | Confident | 86.1 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 64% | 0.642 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57.2 | -30.5 | 172.8 | 61.7 | -47.3 | 0 | 0 | 0 | 112.4 | Q81 L85 | Q81-D83 VanDerWaalsContact CA-OD1 3.3Å; Q81-D83 WeakPolarHBondContact CA-OD1 3.49Å; Q81-D83 PolarHBondContact O-N 2.76Å; D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 2.63Å |
| 84 | K | 84.9 | Confident | 84.1 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -83.7 | 0.9 | 178.5 | -55.7 | -174.7 | -176.3 | 176 | 0 | 113.8 | Q81 R82 Y86 E87 N88 | Q81-K84 HydrophobicContact CB-CD 4.34Å; Q81-K84 WeakPolarHBondContact O-CB 3.47Å; Q81-K84 PolarHBondContact O-N 3.46Å; R82-K84 PolarHBondContact O-N 3.44Å; K84-Y86 PolarHBondContact O-N 3.11Å; K84-E87 WeakPolarHBondContact O-CB 3.35Å; K84-E87 PolarHBondContact O-N 3.39Å; K84-E87 VanDerWaalsContact O-N 3.15Å; K84-N88 PolarHBondContact O-N 3.4Å; K84-N88 PolarHBondContact O-ND2 3.04Å |
| 85 | L | 88.6 | Confident | 81.8 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54 | -51.9 | -175.6 | 177.3 | 64.3 | 0 | 0 | 0 | 111.5 | V71 F74 L78 R82 D83 E87 N88 L89 T386 | V71-L85 HydrophobicContact CG1-CD2 4.16Å; F74-L85 HydrophobicContact CB-CD1 4Å; F74-L85 HydrophobicContact CD1-CD1 4.25Å; F74-L85 HydrophobicContact CG-CD1 4.03Å; L78-L85 HydrophobicContact CD1-CB 4.16Å; L78-L85 HydrophobicContact CD1-CD1 4.08Å; R82-L85 VanDerWaalsContact O-CB 3.24Å; R82-L85 WeakPolarHBondContact O-CB 3.3Å; R82-L85 PolarHBondContact O-N 3.37Å; R82-L85 VanDerWaalsContact O-N 3.08Å; D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 2.63Å; L85-E87 VanDerWaalsContact C-N 3.28Å; L85-E87 PolarHBondContact O-N 3.06Å; L85-N88 CarbonylContact O-C 3.6Å; L85-N88 WeakPolarHBondContact O-CA 3.32Å; L85-N88 WeakPolarHBondContact O-CB 3.49Å; L85-N88 PolarHBondContact O-N 2.96Å; L85-L89 HydrophobicContact CD1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CD2 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.15Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 HydrophobicContact CG-CG 4.21Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 3.4Å; L85-T386 HydrophobicContact CD2-CG2 3.54Å |
| 86 | Y | 83.1 | Confident | 79.2 | Confident | 118 Ų | 118 | 68 Ų | 68 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -30.3 | -178.4 | -74.2 | -79.2 | 0 | 0 | 0 | 113.6 | K84 N88 L89 T386 | K84-Y86 PolarHBondContact O-N 3.11Å; Y86-N88 PolarHBondContact O-N 3.48Å; Y86-L89 HydrophobicContact CD1-CD1 4.47Å; Y86-L89 PolarHBondContact O-N 3.38Å; Y86-T386 PolarHBondContact OH-OG1 3.14Å; Y86-T386 VanDerWaalsContact OH-OG1 3.1Å |
| 87 | E | 84.5 | Confident | 76.7 | Confident | 132 Ų | 132 | 73.2 Ų | 73.2 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66 | -28.7 | 172.7 | -57.4 | -180 | 172.7 | 0 | 0 | 111.8 | K84 L85 | K84-E87 WeakPolarHBondContact O-CB 3.35Å; K84-E87 PolarHBondContact O-N 3.39Å; K84-E87 VanDerWaalsContact O-N 3.15Å; L85-E87 VanDerWaalsContact C-N 3.28Å; L85-E87 PolarHBondContact O-N 3.06Å |
| 88 | N | 86.5 | Confident | 74.3 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -87.4 | -21.4 | 178.4 | -67.3 | -71.7 | 0 | 0 | 0 | 113.1 | F74 K84 L85 Y86 Q90 K287 | F74-N88 HydrophobicContact CE1-CB 3.76Å; F74-N88 HydrophobicContact CE2-CB 4.45Å; F74-N88 HydrophobicContact CZ-CB 3.59Å; K84-N88 PolarHBondContact O-N 3.4Å; K84-N88 PolarHBondContact O-ND2 3.04Å; L85-N88 CarbonylContact O-C 3.6Å; L85-N88 WeakPolarHBondContact O-CA 3.32Å; L85-N88 WeakPolarHBondContact O-CB 3.49Å; L85-N88 PolarHBondContact O-N 2.96Å; Y86-N88 PolarHBondContact O-N 3.48Å; N88-Q90 VanDerWaalsContact C-N 3.29Å; N88-Q90 PolarHBondContact O-N 3.49Å; N88-K287 WeakPolarHBondContact OD1-CE 3.43Å; N88-K287 PolarHBondContact OD1-NZ 2.77Å |
| 89 | L | 88.8 | Confident | 71.8 | Confident | 2 Ų | 2 | 85.4 Ų | 85.4 | 1% | 0.01 | 40% | 0.395 | C | S | . | . | trans | -82.9 | 70.3 | 178.2 | -63.6 | -176.7 | 0 | 0 | 0 | 111.3 | V71 F74 L85 Y86 I115 F290 | V71-L89 HydrophobicContact CG1-CD1 3.84Å; V71-L89 HydrophobicContact CG2-CD1 4.04Å; V71-L89 HydrophobicContact CG2-CD2 3.92Å; F74-L89 HydrophobicContact CD1-CD2 3.94Å; F74-L89 HydrophobicContact CE1-CD2 4.41Å; L85-L89 HydrophobicContact CD1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CD2 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.15Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 HydrophobicContact CG-CG 4.21Å; L85-L89 WeakPolarHBondContact O-CG 3.43Å; L85-L89 PolarHBondContact O-N 3.4Å; Y86-L89 HydrophobicContact CD1-CD1 4.47Å; Y86-L89 PolarHBondContact O-N 3.38Å; L89-I115 HydrophobicContact CB-CD1 4.15Å; L89-I115 HydrophobicContact CD1-CD1 4.48Å; L89-F290 VanDerWaalsContact C-CE1 3.46Å; L89-F290 HydrophobicContact CB-CD1 4.1Å; L89-F290 HydrophobicContact CB-CE1 3.64Å; L89-F290 HydrophobicContact CB-CZ 3.9Å; L89-F290 HydrophobicContact CD2-CB 4.47Å; L89-F290 HydrophobicContact CD2-CD1 3.93Å; L89-F290 HydrophobicContact CD2-CD2 3.75Å; L89-F290 HydrophobicContact CD2-CE1 4.12Å; L89-F290 HydrophobicContact CD2-CE2 3.95Å; L89-F290 HydrophobicContact CD2-CG 3.74Å; L89-F290 HydrophobicContact CD2-CZ 4.13Å; L89-F290 HydrophobicContact CG-CE1 4.42Å; L89-F290 HydrophobicContact CG-CZ 4.4Å | ||
| 90 | Q | 87.6 | Confident | 69.7 | Low | 81 Ų | 81 | 87 Ų | 87 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | trans | -104.8 | 148.4 | 176.3 | -63.4 | -174.6 | -31.6 | 0 | 0 | 111.4 | N88 V112 E113 S291 | N88-Q90 VanDerWaalsContact C-N 3.29Å; N88-Q90 PolarHBondContact O-N 3.49Å; Q90-V112 HydrophobicContact CB-CB 4.18Å; Q90-V112 HydrophobicContact CB-CG1 4.33Å; Q90-E113 WeakPolarHBondContact CA-O 3.47Å; Q90-S291 WeakPolarHBondContact O-CB 3.3Å | ||
| 91 | V | 83.4 | Confident | 68.1 | Low | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.4 | 178.1 | -168.5 | 0 | 0 | 0 | 0 | 108.5 | G93 E113 I115 Y118 F290 F294 | V91-G93 PolarHBondContact O-N 2.91Å; V91-E113 PolarHBondContact N-O 2.93Å; V91-E113 PolarHBondContact O-N 3.12Å; V91-I115 HydrophobicContact CG2-CG1 4.44Å; V91-Y118 HydrophobicContact CB-CD2 3.9Å; V91-Y118 HydrophobicContact CB-CG 3.94Å; V91-Y118 HydrophobicContact CG1-CD1 4.04Å; V91-Y118 HydrophobicContact CG1-CD2 3.39Å; V91-Y118 HydrophobicContact CG1-CE1 4.18Å; V91-Y118 HydrophobicContact CG1-CE2 3.55Å; V91-Y118 HydrophobicContact CG1-CG 3.65Å; V91-Y118 HydrophobicContact CG2-CG 4.43Å; V91-F290 HydrophobicContact CG2-CE1 3.99Å; V91-F294 HydrophobicContact CG1-CD1 4.37Å; V91-F294 HydrophobicContact CG2-CB 4.24Å; V91-F294 HydrophobicContact CG2-CD1 3.61Å; V91-F294 HydrophobicContact CG2-CE1 4.34Å; V91-F294 HydrophobicContact CG2-CG 4.13Å |
| 92 | Q | 78.1 | Confident | 66.4 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 122.5 | 174 | -68.2 | -176.7 | 7.1 | 0 | 0 | 109.4 | V112 S291 | Q92-V112 HydrophobicContact CG-CG1 4.34Å; Q92-S291 PolarHBondContact N-OG 3.29Å |
| 93 | G | 61.2 | Low | 64.7 | Low | 8 Ų | 8 | 87.7 Ų | 87.7 | 8% | 0.082 | 43% | 0.425 | C | S | . | . | trans | -66.8 | 153.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V91 K95 P110 S111 | V91-G93 PolarHBondContact O-N 2.91Å; G93-K95 PolarHBondContact O-N 3.26Å; G93-K95 VanDerWaalsContact O-N 3.12Å; G93-P110 WeakPolarHBondContact O-CB 3.47Å; G93-S111 PolarHBondContact N-O 3.47Å | ||
| 94 | S | 52.9 | Low | 62.8 | Low | 45 Ų | 45 | 88 Ų | 88 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -74.7 | 1.3 | -171.2 | -17.6 | 0 | 0 | 0 | 0 | 115 | Q123 | S94-Q123 PolarHBondContact OG-O 2.97Š|
| 95 | K | 46.4 | Very low | 60.9 | Low | 129 Ų | 129 | 89.4 Ų | 89.4 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | trans | -125.6 | 113.3 | -174.4 | -77.6 | -177.9 | 174 | 158.1 | 0 | 113.1 | G93 R97 Q123 | G93-K95 PolarHBondContact O-N 3.26Å; G93-K95 VanDerWaalsContact O-N 3.12Å; K95-R97 PolarHBondContact O-N 3.32Å; K95-Q123 VanDerWaalsContact CD-OE1 3.27Å | ||
| 96 | C | 40 | Very low | 58.7 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 41% | 0.412 | 45% | 0.454 | S | S | . | . | trans | -64 | 113.2 | 147.5 | -88.9 | 0 | 0 | 0 | 0 | 108.3 | R98 T107 I108 P110 | C96-R98 PolarHBondContact O-N 3.37Å; C96-T107 HydrophobicContact CB-CG2 3.93Å; C96-I108 CarbonylContact C-O 3.52Å; C96-I108 WeakPolarHBondContact CA-O 3.29Å; C96-I108 VanDerWaalsContact CB-O 3.26Å; C96-I108 WeakPolarHBondContact CB-O 3.43Å; C96-I108 PolarHBondContact SG-O 3.42Å; C96-P110 VanDerWaalsContact SG-CD 3.56Å | ||
| 97 | R | 39.7 | Very low | 56.7 | Low | 187 Ų | 187 | 92.5 Ų | 92.5 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 118.9 | 168.4 | -80.5 | -175.5 | 174 | -159.4 | -1 | 107.9 | K95 L99 I108 | K95-R97 PolarHBondContact O-N 3.32Å; R97-L99 PolarHBondContact O-N 2.99Å; R97-I108 HydrophobicContact CB-CB 4.11Å; R97-I108 HydrophobicContact CB-CD1 4.02Å; R97-I108 HydrophobicContact CB-CG1 4.47Å; R97-I108 PolarHBondContact N-O 2.91Å; R97-I108 WeakPolarHBondContact O-CA 3.44Å; R97-I108 WeakPolarHBondContact O-CB 3.49Å; R97-I108 VanDerWaalsContact O-CG1 3.25Å; R97-I108 WeakPolarHBondContact O-CG1 3.46Å; R97-I108 PolarHBondContact O-N 2.94Å |
| 98 | R | 39.7 | Very low | 55.1 | Low | 187 Ų | 187 | 89.7 Ų | 89.7 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 106.9 | 164.7 | -69.8 | -177.3 | -169.7 | -179.4 | 4.6 | 107.3 | C96 I105 F106 | C96-R98 PolarHBondContact O-N 3.37Å; R98-I105 HydrophobicContact CB-CG2 4.15Å; R98-I105 HydrophobicContact CG-CG2 4.06Å; R98-F106 CarbonylContact C-O 3.58Å; R98-F106 WeakPolarHBondContact CA-O 3.33Å |
| 99 | L | 39.5 | Very low | 53.3 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.4 | 167.9 | -132.7 | 85.3 | 0 | 0 | 0 | 107.1 | R97 V101 F106 I108 | R97-L99 PolarHBondContact O-N 2.99Å; L99-V101 HydrophobicContact CD2-CG2 3.68Å; L99-V101 HydrophobicContact CG-CG2 4.38Å; L99-F106 PolarHBondContact N-O 2.87Å; L99-F106 PolarHBondContact O-N 3.26Å; L99-I108 HydrophobicContact CB-CD1 3.72Å; L99-I108 HydrophobicContact CB-CG1 4.23Å; L99-I108 HydrophobicContact CD1-CD1 3.53Å; L99-I108 HydrophobicContact CD2-CD1 4.47Å; L99-I108 HydrophobicContact CG-CD1 4.09Å |
| 100 | V | 41.2 | Very low | 51.7 | Low | 99 Ų | 99 | 98.3 Ų | 98.3 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 113.4 | 166.4 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | Q104 I105 | V100-Q104 WeakPolarHBondContact CA-O 3.5Å; V100-I105 HydrophobicContact CG2-CG1 4.25Å |
| 101 | V | 47.9 | Very low | 50.3 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.3 | 169.6 | -175 | 0 | 0 | 0 | 0 | 105.8 | L99 M103 Q104 | L99-V101 HydrophobicContact CD2-CG2 3.68Å; L99-V101 HydrophobicContact CG-CG2 4.38Å; V101-M103 PolarHBondContact O-N 3.27Å; V101-Q104 PolarHBondContact N-O 3.47Å; V101-Q104 PolarHBondContact O-N 3Å |
| 102 | D | 50.7 | Low | 49.2 | Very low | 153 Ų | 153 | 101.5 Ų | 101.5 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 52.3 | 177.5 | -60.5 | -28.5 | 0 | 0 | 0 | 114.6 | Q104 | D102-Q104 PolarHBondContact O-N 3.45Š|
| 103 | M | 49.6 | Very low | 49.1 | Very low | 185 Ų | 185 | 99.7 Ų | 99.7 | 91% | 0.911 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 14.8 | 177.2 | -68.1 | -89.8 | -71.9 | 0 | 0 | 115.2 | V101 | V101-M103 PolarHBondContact O-N 3.27Š|
| 104 | Q | 43.8 | Very low | 50 | Low | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.3 | 166.9 | -80.4 | -177.9 | 3.7 | 0 | 0 | 111.1 | V100 V101 D102 F106 | V100-Q104 WeakPolarHBondContact CA-O 3.5Å; V101-Q104 PolarHBondContact N-O 3.47Å; V101-Q104 PolarHBondContact O-N 3Å; D102-Q104 PolarHBondContact O-N 3.45Å; Q104-F106 HydrophobicContact CB-CD2 4.38Å; Q104-F106 HydrophobicContact CB-CE2 3.89Å; Q104-F106 PolarHBondContact O-N 3.36Å |
| 105 | I | 45.3 | Very low | 51.4 | Low | 111 Ų | 111 | 102.5 Ų | 102.5 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 107.5 | 175.4 | -60.9 | 173.3 | 0 | 0 | 0 | 108.2 | R98 V100 | R98-I105 HydrophobicContact CB-CG2 4.15Å; R98-I105 HydrophobicContact CG-CG2 4.06Å; V100-I105 HydrophobicContact CG2-CG1 4.25Å |
| 106 | F | 42.9 | Very low | 53.2 | Low | 109 Ų | 109 | 97.8 Ų | 97.8 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118 | 167.4 | -72.4 | -89.8 | 0 | 0 | 0 | 109.3 | R98 L99 Q104 I108 | R98-F106 CarbonylContact C-O 3.58Å; R98-F106 WeakPolarHBondContact CA-O 3.33Å; L99-F106 PolarHBondContact N-O 2.87Å; L99-F106 PolarHBondContact O-N 3.26Å; Q104-F106 HydrophobicContact CB-CD2 4.38Å; Q104-F106 HydrophobicContact CB-CE2 3.89Å; Q104-F106 PolarHBondContact O-N 3.36Å; F106-I108 PolarHBondContact O-N 2.94Å |
| 107 | T | 41.4 | Very low | 55.3 | Low | 78 Ų | 78 | 99 Ų | 99 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 100.3 | 168.6 | -56.6 | 0 | 0 | 0 | 0 | 108.1 | C96 F109 | C96-T107 HydrophobicContact CB-CG2 3.93Å; T107-F109 PolarHBondContact O-N 2.8Å |
| 108 | I | 50.3 | Low | 57.3 | Low | 73 Ų | 73 | 90.2 Ų | 90.2 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.7 | 169.4 | -54.9 | 175.3 | 0 | 0 | 0 | 106.4 | C96 R97 L99 F106 | C96-I108 CarbonylContact C-O 3.52Å; C96-I108 WeakPolarHBondContact CA-O 3.29Å; C96-I108 VanDerWaalsContact CB-O 3.26Å; C96-I108 WeakPolarHBondContact CB-O 3.43Å; C96-I108 PolarHBondContact SG-O 3.42Å; R97-I108 HydrophobicContact CB-CB 4.11Å; R97-I108 HydrophobicContact CB-CD1 4.02Å; R97-I108 HydrophobicContact CB-CG1 4.47Å; R97-I108 PolarHBondContact N-O 2.91Å; R97-I108 WeakPolarHBondContact O-CA 3.44Å; R97-I108 WeakPolarHBondContact O-CB 3.49Å; R97-I108 VanDerWaalsContact O-CG1 3.25Å; R97-I108 WeakPolarHBondContact O-CG1 3.46Å; R97-I108 PolarHBondContact O-N 2.94Å; L99-I108 HydrophobicContact CB-CD1 3.72Å; L99-I108 HydrophobicContact CB-CG1 4.23Å; L99-I108 HydrophobicContact CD1-CD1 3.53Å; L99-I108 HydrophobicContact CD2-CD1 4.47Å; L99-I108 HydrophobicContact CG-CD1 4.09Å; F106-I108 PolarHBondContact O-N 2.94Å |
| 109 | F | 48.2 | Very low | 59.2 | Low | 169 Ų | 169 | 81.3 Ų | 81.3 | 74% | 0.741 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 151 | 173.9 | -68.7 | -81.2 | 0 | 0 | 0 | 111.2 | T107 S111 | T107-F109 PolarHBondContact O-N 2.8Å; F109-S111 PolarHBondContact O-N 3.35Å |
| 110 | P | 54.6 | Low | 61.1 | Low | 37 Ų | 37 | 78.4 Ų | 78.4 | 24% | 0.24 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 133.2 | 179.6 | 21.6 | -32.1 | 0 | 0 | 0 | 110.9 | G93 C96 V112 | G93-P110 WeakPolarHBondContact O-CB 3.47Å; C96-P110 VanDerWaalsContact SG-CD 3.56Å; P110-V112 PolarHBondContact O-N 3.45Å |
| 111 | S | 58.5 | Low | 63.1 | Low | 64 Ų | 64 | 79.2 Ų | 79.2 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.7 | 172.7 | 35.8 | 0 | 0 | 0 | 0 | 109 | G93 F109 E113 | G93-S111 PolarHBondContact N-O 3.47Å; F109-S111 PolarHBondContact O-N 3.35Å; S111-E113 PolarHBondContact OG-OE1 3.09Å |
| 112 | V | 61.3 | Low | 64.8 | Low | 84 Ų | 84 | 76.5 Ų | 76.5 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.1 | 163.1 | -84.6 | 0 | 0 | 0 | 0 | 107.8 | Q90 Q92 P110 | Q90-V112 HydrophobicContact CB-CB 4.18Å; Q90-V112 HydrophobicContact CB-CG1 4.33Å; Q92-V112 HydrophobicContact CG-CG1 4.34Å; P110-V112 PolarHBondContact O-N 3.45Å |
| 113 | E | 76 | Confident | 66.3 | Low | 39 Ų | 39 | 73.1 Ų | 73.1 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150.6 | -177.2 | -70.4 | 167.1 | -166.5 | 0 | 0 | 108.9 | Q90 V91 S111 H117 | Q90-E113 WeakPolarHBondContact CA-O 3.47Å; V91-E113 PolarHBondContact N-O 2.93Å; V91-E113 PolarHBondContact O-N 3.12Å; S111-E113 PolarHBondContact OG-OE1 3.09Å; E113-H117 HydrophobicContact CB-CB 4.34Å; E113-H117 IonicContact OE2-CD2 3.23Å; E113-H117 PolarHBondContact OE2-CD2 2.87Å |
| 114 | D | 80.8 | Confident | 67.7 | Low | 96 Ų | 96 | 67.3 Ų | 67.3 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | trans | -69.8 | 164.1 | 168.5 | 69.9 | 41.4 | 0 | 0 | 0 | 110.6 | A116 H117 Y118 | D114-A116 VanDerWaalsContact C-N 3.3Å; D114-A116 PolarHBondContact O-N 2.97Å; D114-A116 PolarHBondContact OD1-N 3.24Å; D114-A116 VanDerWaalsContact OD1-N 3.11Å; D114-H117 PolarHBondContact O-N 3.38Å; D114-H117 VanDerWaalsContact OD1-CB 3.29Å; D114-H117 WeakPolarHBondContact OD1-CB 3.43Å; D114-H117 PolarHBondContact OD1-N 3.34Å; D114-Y118 PolarHBondContact O-N 3.5Å | ||
| 115 | I | 82.3 | Confident | 69.4 | Low | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.9 | -44.3 | -177.1 | -62.6 | 171.9 | 0 | 0 | 0 | 111.4 | L89 V91 Y118 V119 F290 F294 T383 L385 | L89-I115 HydrophobicContact CB-CD1 4.15Å; L89-I115 HydrophobicContact CD1-CD1 4.48Å; V91-I115 HydrophobicContact CG2-CG1 4.44Å; I115-Y118 PolarHBondContact O-N 3.26Å; I115-V119 HydrophobicContact CG2-CG2 4.5Å; I115-V119 WeakPolarHBondContact O-CG2 3.46Å; I115-V119 PolarHBondContact O-N 3.48Å; I115-F290 HydrophobicContact CD1-CE1 4.27Å; I115-F290 HydrophobicContact CD1-CZ 3.64Å; I115-F290 HydrophobicContact CG1-CE1 4.16Å; I115-F290 HydrophobicContact CG1-CZ 3.89Å; I115-F294 HydrophobicContact CG2-CE1 3.78Å; I115-F294 HydrophobicContact CG2-CE2 3.8Å; I115-F294 HydrophobicContact CG2-CZ 3.32Å; I115-T383 HydrophobicContact CG2-CG2 3.67Å; I115-L385 HydrophobicContact CD1-CD1 3.92Å |
| 116 | A | 82.8 | Confident | 70.7 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 26% | 0.256 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y5 D114 V119 T120 | Y5-A116 WeakPolarHBondContact OH-CB 3.5Å; D114-A116 VanDerWaalsContact C-N 3.3Å; D114-A116 PolarHBondContact O-N 2.97Å; D114-A116 PolarHBondContact OD1-N 3.24Å; D114-A116 VanDerWaalsContact OD1-N 3.11Å; A116-V119 PolarHBondContact O-N 2.91Å; A116-T120 WeakPolarHBondContact O-CB 3.47Å; A116-T120 VanDerWaalsContact O-CG2 3.3Å; A116-T120 WeakPolarHBondContact O-CG2 3.26Å; A116-T120 PolarHBondContact O-N 3.4Å; A116-T120 PolarHBondContact O-OG1 3.35Å |
| 117 | H | 83.8 | Confident | 72 | Confident | 85 Ų | 85 | 63 Ų | 63 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 175.8 | -165 | 92.3 | 0 | 0 | 0 | 110.8 | E113 D114 V119 T120 K121 | E113-H117 HydrophobicContact CB-CB 4.34Å; E113-H117 IonicContact OE2-CD2 3.23Å; E113-H117 PolarHBondContact OE2-CD2 2.87Å; D114-H117 PolarHBondContact O-N 3.38Å; D114-H117 VanDerWaalsContact OD1-CB 3.29Å; D114-H117 WeakPolarHBondContact OD1-CB 3.43Å; D114-H117 PolarHBondContact OD1-N 3.34Å; H117-V119 PolarHBondContact O-N 3.47Å; H117-T120 PolarHBondContact O-N 3.44Å; H117-T120 PolarHBondContact O-OG1 3.39Å; H117-K121 WeakPolarHBondContact O-CB 3.28Å; H117-K121 PolarHBondContact O-N 3.47Å |
| 118 | Y | 82.1 | Confident | 73.3 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 179.1 | -176.3 | -89.2 | 0 | 0 | 0 | 112.3 | V91 D114 I115 F122 F294 S295 I298 | V91-Y118 HydrophobicContact CB-CD2 3.9Å; V91-Y118 HydrophobicContact CB-CG 3.94Å; V91-Y118 HydrophobicContact CG1-CD1 4.04Å; V91-Y118 HydrophobicContact CG1-CD2 3.39Å; V91-Y118 HydrophobicContact CG1-CE1 4.18Å; V91-Y118 HydrophobicContact CG1-CE2 3.55Å; V91-Y118 HydrophobicContact CG1-CG 3.65Å; V91-Y118 HydrophobicContact CG2-CG 4.43Å; D114-Y118 PolarHBondContact O-N 3.5Å; I115-Y118 PolarHBondContact O-N 3.26Å; Y118-F122 HydrophobicContact CE1-CD2 4.27Å; Y118-F122 WeakPolarHBondContact O-CA 3.42Å; Y118-F122 PolarHBondContact O-N 2.91Å; Y118-F294 AromaticContact CD1-CD1 3.99Å; Y118-F294 HydrophobicContact CD1-CD1 3.99Å; Y118-F294 AromaticContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CE1-CD1 4.35Å; Y118-F294 HydrophobicContact CE1-CE1 4.47Å; Y118-S295 WeakPolarHBondContact OH-CA 3.29Å; Y118-S295 WeakPolarHBondContact OH-CB 3.45Å; Y118-S295 PolarHBondContact OH-OG 3.46Å; Y118-I298 HydrophobicContact CD1-CG1 4.32Å; Y118-I298 HydrophobicContact CE1-CB 4.1Å; Y118-I298 HydrophobicContact CE1-CG1 4Å; Y118-I298 HydrophobicContact CE1-CG2 4.41Å |
| 119 | V | 79.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | I115 A116 H117 K121 F294 I298 L323 I381 T383 | I115-V119 HydrophobicContact CG2-CG2 4.5Å; I115-V119 WeakPolarHBondContact O-CG2 3.46Å; I115-V119 PolarHBondContact O-N 3.48Å; A116-V119 PolarHBondContact O-N 2.91Å; H117-V119 PolarHBondContact O-N 3.47Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.05Å; V119-F294 HydrophobicContact CG2-CE1 3.72Å; V119-F294 HydrophobicContact CG2-CZ 3.63Å; V119-I298 HydrophobicContact CG2-CD1 3.99Å; V119-I298 HydrophobicContact CG2-CG1 4.41Å; V119-L323 HydrophobicContact CB-CD2 4.46Å; V119-L323 HydrophobicContact CG1-CD1 3.93Å; V119-L323 HydrophobicContact CG1-CD2 3.63Å; V119-L323 HydrophobicContact CG1-CG 4.42Å; V119-I381 HydrophobicContact CG1-CD1 4.15Å; V119-T383 HydrophobicContact CG2-CG2 4.08Å |
| 120 | T | 81.1 | Confident | 74.5 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.6 | -21.1 | -177.1 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | Y5 A116 H117 L323 | Y5-T120 HydrophobicContact CE1-CG2 3.81Å; A116-T120 WeakPolarHBondContact O-CB 3.47Å; A116-T120 VanDerWaalsContact O-CG2 3.3Å; A116-T120 WeakPolarHBondContact O-CG2 3.26Å; A116-T120 PolarHBondContact O-N 3.4Å; A116-T120 PolarHBondContact O-OG1 3.35Å; H117-T120 PolarHBondContact O-N 3.44Å; H117-T120 PolarHBondContact O-OG1 3.39Å; T120-L323 HydrophobicContact CG2-CD2 4.02Å |
| 121 | K | 82.5 | Confident | 75.7 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 23.9 | 178.8 | -61.4 | -62.1 | -175.5 | -177.8 | 0 | 113.2 | H117 V119 Q123 | H117-K121 WeakPolarHBondContact O-CB 3.28Å; H117-K121 PolarHBondContact O-N 3.47Å; V119-K121 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.05Å; K121-Q123 PolarHBondContact O-N 3.37Å |
| 122 | F | 83.1 | Confident | 77.1 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | trans | -46.1 | 132.8 | -178.5 | 173.8 | -101.7 | 0 | 0 | 0 | 112.4 | F36 Y118 W124 I298 H299 A302 | F36-F122 HydrophobicContact CD1-CD1 4.37Å; F36-F122 HydrophobicContact CD2-CB 4.16Å; F36-F122 HydrophobicContact CD2-CD1 4.27Å; F36-F122 HydrophobicContact CD2-CG 4.5Å; F36-F122 AromaticContact CE1-CD1 3.66Å; F36-F122 HydrophobicContact CE1-CD1 3.66Å; F36-F122 AromaticContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CE1 3.82Å; F36-F122 HydrophobicContact CE1-CG 4.49Å; F36-F122 HydrophobicContact CE2-CB 3.57Å; F36-F122 AromaticContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CD1 3.55Å; F36-F122 HydrophobicContact CE2-CE1 4.39Å; F36-F122 AromaticContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CE2-CG 3.62Å; F36-F122 HydrophobicContact CZ-CB 4.12Å; F36-F122 AromaticContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD1 3.19Å; F36-F122 HydrophobicContact CZ-CD2 4.35Å; F36-F122 AromaticContact CZ-CE1 3.6Å; F36-F122 HydrophobicContact CZ-CE1 3.6Å; F36-F122 AromaticContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CG 3.62Å; F36-F122 HydrophobicContact CZ-CZ 4.31Å; Y118-F122 HydrophobicContact CE1-CD2 4.27Å; Y118-F122 WeakPolarHBondContact O-CA 3.42Å; Y118-F122 PolarHBondContact O-N 2.91Å; F122-W124 HydrophobicContact CE1-CB 4.45Å; F122-W124 HydrophobicContact CE1-CE3 4.46Å; F122-W124 HydrophobicContact CZ-CE3 4.15Å; F122-I298 HydrophobicContact CD2-CB 4.29Å; F122-I298 HydrophobicContact CD2-CG2 3.35Å; F122-I298 HydrophobicContact CE2-CB 4.31Å; F122-I298 HydrophobicContact CE2-CG2 3.64Å; F122-I298 HydrophobicContact CG-CG2 3.98Å; F122-I298 HydrophobicContact CZ-CG2 4.47Å; F122-H299 AromaticContact CE2-CE1 3.55Å; F122-H299 AromaticContact CE2-ND1 3.62Å; F122-H299 AromaticContact CZ-CE1 3.99Å; F122-A302 HydrophobicContact CE1-CB 3.98Å; F122-A302 HydrophobicContact CZ-CB 4.04Å | ||
| 123 | Q | 81.5 | Confident | 78.6 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | trans | -131.6 | 126.3 | 173.3 | -74.1 | 174.8 | 50.9 | 0 | 0 | 109.1 | S94 K95 K121 D125 | S94-Q123 PolarHBondContact OG-O 2.97Å; K95-Q123 VanDerWaalsContact CD-OE1 3.27Å; K121-Q123 PolarHBondContact O-N 3.37Å; Q123-D125 PolarHBondContact O-N 2.91Å | ||
| 124 | W | 80.4 | Confident | 79.4 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 24% | 0.242 | 34% | 0.342 | C | S | . | . | trans | -59.1 | 133.4 | 178.1 | -178 | -88.6 | 0 | 0 | 0 | 112.1 | P39 L41 F122 H299 A302 L303 | P39-W124 HydrophobicContact CG-CB 3.89Å; P39-W124 HydrophobicContact CG-CD2 3.73Å; P39-W124 HydrophobicContact CG-CE3 4.41Å; P39-W124 HydrophobicContact CG-CG 3.44Å; P39-W124 VanDerWaalsContact CG-CG 3.44Å; L41-W124 HydrophobicContact CD1-CH2 4.26Å; L41-W124 HydrophobicContact CD2-CH2 4.39Å; L41-W124 HydrophobicContact CD2-CZ2 3.86Å; F122-W124 HydrophobicContact CE1-CB 4.45Å; F122-W124 HydrophobicContact CE1-CE3 4.46Å; F122-W124 HydrophobicContact CZ-CE3 4.15Å; W124-H299 AromaticContact CE3-CD2 3.88Å; W124-H299 AromaticContact CZ3-CD2 3.98Å; W124-A302 HydrophobicContact CE3-CB 4.21Å; W124-A302 HydrophobicContact CZ3-CB 4Å; W124-L303 HydrophobicContact CH2-CD1 4.27Å; W124-L303 HydrophobicContact CH2-CD2 3.59Å; W124-L303 HydrophobicContact CH2-CG 3.73Å; W124-L303 HydrophobicContact CZ3-CD2 4.2Å; W124-L303 HydrophobicContact CZ3-CG 4.08Å | ||
| 125 | D | 79.5 | Confident | 80 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -124.4 | 111.8 | 175.1 | -176.4 | -6 | 0 | 0 | 0 | 110 | Q123 A127 K128 H299 | Q123-D125 PolarHBondContact O-N 2.91Å; D125-A127 PolarHBondContact O-N 3.46Å; D125-A127 WeakPolarHBondContact OD1-CB 3.24Å; D125-A127 PolarHBondContact OD1-N 3.23Å; D125-K128 HydrophobicContact CB-CB 4.36Å; D125-K128 HydrophobicContact CB-CG 3.76Å; D125-K128 PolarHBondContact O-N 2.93Å; D125-K128 WeakPolarHBondContact OD2-CG 3.2Å; D125-H299 PolarHBondContact N-NE2 2.92Å; D125-H299 PolarHBondContact O-NE2 3.28Å | ||
| 126 | T | 72.4 | Confident | 80.6 | Confident | 124 Ų | 124 | 62 Ų | 62 | 76% | 0.761 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.2 | -179.6 | -47.7 | 0 | 0 | 0 | 0 | 112.9 | K128 | T126-K128 VanDerWaalsContact C-N 3.31Š|
| 127 | A | 70.3 | Confident | 81.2 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 72% | 0.719 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D125 Y129 | D125-A127 PolarHBondContact O-N 3.46Å; D125-A127 WeakPolarHBondContact OD1-CB 3.24Å; D125-A127 PolarHBondContact OD1-N 3.23Å; A127-Y129 PolarHBondContact O-N 2.83Å |
| 128 | K | 67.8 | Low | 81.8 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | trans | -84.1 | 78.9 | -177.9 | -67.4 | -80.8 | -179.3 | 169.6 | 0 | 110.5 | D125 T126 E292 | D125-K128 HydrophobicContact CB-CB 4.36Å; D125-K128 HydrophobicContact CB-CG 3.76Å; D125-K128 PolarHBondContact O-N 2.93Å; D125-K128 WeakPolarHBondContact OD2-CG 3.2Å; T126-K128 VanDerWaalsContact C-N 3.31Å; K128-E292 IonicContact NZ-OE1 2.79Å; K128-E292 PolarHBondContact NZ-OE1 3.48Å; K128-E292 IonicContact NZ-OE2 3.2Å; K128-E292 PolarHBondContact NZ-OE2 3.47Å | ||
| 129 | Y | 62.8 | Low | 82.5 | Confident | 203 Ų | 203 | 61.6 Ų | 61.6 | 80% | 0.796 | 32% | 0.322 | S | S | * | . | trans | -83.7 | 133 | 163.3 | -139 | -94.2 | 0 | 0 | 0 | 109.7 | A127 Q131 | A127-Y129 PolarHBondContact O-N 2.83Å; Y129-Q131 PolarHBondContact O-N 2.86Å | ||
| 130 | P | 62.5 | Low | 83.4 | Confident | 31 Ų | 31 | 67 Ų | 67 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | trans | -65.7 | 98.9 | -172.8 | 20.4 | -29.7 | 0 | 0 | 0 | 112.2 | L59 V132 A296 V300 | L59-P130 HydrophobicContact CD2-CB 4.48Å; L59-P130 HydrophobicContact CD2-CG 3.91Å; P130-V132 HydrophobicContact CB-CG2 3.64Å; P130-V132 PolarHBondContact O-N 2.86Å; P130-V132 VanDerWaalsContact O-N 3.1Å; P130-A296 HydrophobicContact CB-CB 4.24Å; P130-V300 HydrophobicContact CB-CG2 4.39Å; P130-V300 HydrophobicContact CG-CG2 4.33Å | ||
| 131 | Q | 79.4 | Confident | 84.1 | Confident | 141 Ų | 141 | 69.7 Ų | 69.7 | 66% | 0.659 | 37% | 0.365 | S | S | * | . | trans | -81.7 | 37.1 | 170.9 | -61.6 | -174.6 | 29.9 | 0 | 0 | 112 | Y129 T133 Q134 I135 | Y129-Q131 PolarHBondContact O-N 2.86Å; Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 3.43Å; Q131-Q134 PolarHBondContact O-N 3.08Å; Q131-I135 WeakPolarHBondContact O-CG1 3.44Å; Q131-I135 PolarHBondContact O-N 3.17Å | ||
| 132 | V | 87.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.2 | -45.9 | -171.8 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | L59 Y62 A63 V66 P130 Q134 I135 D136 M293 | L59-V132 HydrophobicContact CD1-CG2 4.04Å; Y62-V132 HydrophobicContact CD1-CB 4.19Å; Y62-V132 HydrophobicContact CD1-CG1 3.56Å; Y62-V132 HydrophobicContact CE1-CB 4.04Å; Y62-V132 HydrophobicContact CE1-CG1 3.5Å; Y62-V132 HydrophobicContact CG-CG1 4.41Å; A63-V132 HydrophobicContact CB-CG1 4.35Å; A63-V132 HydrophobicContact CB-CG2 4.24Å; V66-V132 HydrophobicContact CB-CG1 4.1Å; V66-V132 HydrophobicContact CG1-CG1 4.43Å; V66-V132 HydrophobicContact CG2-CG1 3.91Å; P130-V132 HydrophobicContact CB-CG2 3.64Å; P130-V132 PolarHBondContact O-N 2.86Å; P130-V132 VanDerWaalsContact O-N 3.1Å; V132-Q134 PolarHBondContact O-N 3.01Å; V132-I135 PolarHBondContact O-N 3.16Å; V132-D136 PolarHBondContact O-N 3.39Å; V132-M293 HydrophobicContact CB-CE 3.91Å; V132-M293 HydrophobicContact CB-SD 4.22Å; V132-M293 HydrophobicContact CG1-CE 3.81Å; V132-M293 HydrophobicContact CG1-SD 3.75Å; V132-M293 HydrophobicContact CG2-CE 3.44Å; V132-M293 VanDerWaalsContact CG2-CE 3.44Å; V132-M293 HydrophobicContact CG2-SD 4.4Å |
| 133 | T | 91.6 | Very high | 85.4 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | -175 | -48.3 | 0 | 0 | 0 | 0 | 112.3 | Q131 D136 A137 | Q131-T133 VanDerWaalsContact C-N 3.31Å; Q131-T133 PolarHBondContact O-N 3.43Å; T133-D136 PolarHBondContact O-N 2.92Å; T133-A137 WeakPolarHBondContact O-CB 3.39Å; T133-A137 PolarHBondContact O-N 3.15Å |
| 134 | Q | 92.6 | Very high | 86.1 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 178.6 | -177.1 | 58.5 | 39.7 | 0 | 0 | 110.6 | Q131 V132 D136 A137 D138 | Q131-Q134 PolarHBondContact O-N 3.08Å; V132-Q134 PolarHBondContact O-N 3.01Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; Q134-D136 PolarHBondContact O-N 3.21Å; Q134-A137 PolarHBondContact O-N 3.34Å; Q134-D138 VanDerWaalsContact NE2-CG 3.26Å; Q134-D138 PolarHBondContact NE2-OD1 2.93Å; Q134-D138 VanDerWaalsContact NE2-OD1 3.11Å; Q134-D138 PolarHBondContact NE2-OD2 3.41Å; Q134-D138 WeakPolarHBondContact O-CB 3.49Å; Q134-D138 PolarHBondContact O-N 3.12Å |
| 135 | I | 93.4 | Very high | 86.8 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 177.3 | -63.5 | 175.4 | 0 | 0 | 0 | 110.9 | L70 Q131 V132 D138 L139 W285 N289 E292 M293 | L70-I135 HydrophobicContact CD1-CG2 4.31Å; Q131-I135 WeakPolarHBondContact O-CG1 3.44Å; Q131-I135 PolarHBondContact O-N 3.17Å; V132-I135 PolarHBondContact O-N 3.16Å; I135-D138 PolarHBondContact O-N 3.49Å; I135-L139 VanDerWaalsContact O-CB 3.23Å; I135-L139 WeakPolarHBondContact O-CB 3.4Å; I135-L139 PolarHBondContact O-N 2.67Å; I135-W285 HydrophobicContact CG2-CH2 4.36Å; I135-N289 HydrophobicContact CG2-CB 4.04Å; I135-E292 HydrophobicContact CD1-CB 4.1Å; I135-M293 HydrophobicContact CD1-SD 4.44Å |
| 136 | D | 95.6 | Very high | 87.5 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 176.4 | -174.6 | 37.4 | 0 | 0 | 0 | 112.2 | Y62 V66 V132 T133 Q134 L139 K140 | Y62-D136 WeakPolarHBondContact OH-CB 3.31Å; Y62-D136 PolarHBondContact OH-OD2 3.3Å; V66-D136 HydrophobicContact CG1-CB 3.94Å; V66-D136 HydrophobicContact CG2-CB 3.76Å; V132-D136 PolarHBondContact O-N 3.39Å; T133-D136 PolarHBondContact O-N 2.92Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; Q134-D136 PolarHBondContact O-N 3.21Å; D136-L139 PolarHBondContact O-N 2.84Å; D136-K140 WeakPolarHBondContact O-CG 3.41Å; D136-K140 PolarHBondContact O-N 3.02Å; D136-K140 VanDerWaalsContact O-N 3.1Å; D136-K140 VanDerWaalsContact OD1-CE 3.28Å; D136-K140 WeakPolarHBondContact OD1-CE 2.78Å; D136-K140 IonicContact OD1-NZ 2.73Å; D136-K140 WeakPolarHBondContact OD2-CE 3.43Å; D136-K140 IonicContact OD2-NZ 2.72Å; D136-K140 PolarHBondContact OD2-NZ 3.48Å |
| 137 | A | 96.3 | Very high | 88.6 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T133 Q134 K140 S141 | T133-A137 WeakPolarHBondContact O-CB 3.39Å; T133-A137 PolarHBondContact O-N 3.15Å; Q134-A137 PolarHBondContact O-N 3.34Å; A137-K140 PolarHBondContact O-N 3.43Å; A137-S141 PolarHBondContact O-N 2.73Å |
| 138 | D | 96.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 178.6 | -73.3 | -25.6 | 0 | 0 | 0 | 111.9 | Q134 I135 K140 S141 K142 W285 | Q134-D138 VanDerWaalsContact NE2-CG 3.26Å; Q134-D138 PolarHBondContact NE2-OD1 2.93Å; Q134-D138 VanDerWaalsContact NE2-OD1 3.11Å; Q134-D138 PolarHBondContact NE2-OD2 3.41Å; Q134-D138 WeakPolarHBondContact O-CB 3.49Å; Q134-D138 PolarHBondContact O-N 3.12Å; I135-D138 PolarHBondContact O-N 3.49Å; D138-K140 PolarHBondContact O-N 2.95Å; D138-S141 PolarHBondContact O-N 3.2Å; D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 WeakPolarHBondContact O-CG 3.26Å; D138-K142 PolarHBondContact O-N 3.01Å; D138-W285 HydrophobicContact CB-CH2 4.06Å; D138-W285 HydrophobicContact CB-CZ2 3.54Å |
| 139 | L | 97 | Very high | 91.1 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 174.4 | 177.6 | 63.5 | 0 | 0 | 0 | 110.7 | K69 L70 Y73 I135 D136 S141 K142 T143 W285 L286 | K69-L139 HydrophobicContact CB-CD2 4.17Å; L70-L139 HydrophobicContact CB-CD2 3.99Å; Y73-L139 HydrophobicContact CD1-CD1 3.89Å; I135-L139 VanDerWaalsContact O-CB 3.23Å; I135-L139 WeakPolarHBondContact O-CB 3.4Å; I135-L139 PolarHBondContact O-N 2.67Å; D136-L139 PolarHBondContact O-N 2.84Å; L139-S141 PolarHBondContact O-N 3.42Å; L139-K142 PolarHBondContact O-N 3.45Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 PolarHBondContact O-N 3.34Å; L139-T143 PolarHBondContact O-OG1 3.49Å; L139-W285 HydrophobicContact CB-CH2 4.04Å; L139-W285 HydrophobicContact CB-CZ3 4.31Å; L139-W285 HydrophobicContact CD1-CZ3 4.09Å; L139-L286 HydrophobicContact CD1-CD2 4Å |
| 140 | K | 97 | Very high | 92.5 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.7 | -71.8 | 168.9 | -168.5 | 158.2 | 0 | 112.2 | D136 A137 D138 T143 T144 | D136-K140 WeakPolarHBondContact O-CG 3.41Å; D136-K140 PolarHBondContact O-N 3.02Å; D136-K140 VanDerWaalsContact O-N 3.1Å; D136-K140 VanDerWaalsContact OD1-CE 3.28Å; D136-K140 WeakPolarHBondContact OD1-CE 2.78Å; D136-K140 IonicContact OD1-NZ 2.73Å; D136-K140 WeakPolarHBondContact OD2-CE 3.43Å; D136-K140 IonicContact OD2-NZ 2.72Å; D136-K140 PolarHBondContact OD2-NZ 3.48Å; A137-K140 PolarHBondContact O-N 3.43Å; D138-K140 PolarHBondContact O-N 2.95Å; K140-T143 PolarHBondContact O-N 2.68Å; K140-T144 WeakPolarHBondContact O-CB 3.43Å; K140-T144 PolarHBondContact O-N 3.2Å; K140-T144 PolarHBondContact O-OG1 3.02Å |
| 141 | S | 96.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | A137 D138 L139 T143 T144 S145 | A137-S141 PolarHBondContact O-N 2.73Å; D138-S141 PolarHBondContact O-N 3.2Å; L139-S141 PolarHBondContact O-N 3.42Å; S141-T143 VanDerWaalsContact C-N 3.34Å; S141-T143 PolarHBondContact O-N 3.01Å; S141-T144 PolarHBondContact O-N 3.06Å; S141-S145 PolarHBondContact O-N 2.97Å |
| 142 | K | 95.7 | Very high | 94.8 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.9 | -72 | -179.6 | -172.4 | -58.7 | 0 | 112.2 | D138 L139 S145 Y146 L282 W285 | D138-K142 WeakPolarHBondContact O-CB 3.47Å; D138-K142 WeakPolarHBondContact O-CG 3.26Å; D138-K142 PolarHBondContact O-N 3.01Å; L139-K142 PolarHBondContact O-N 3.45Å; K142-S145 PolarHBondContact O-N 3.34Å; K142-Y146 WeakPolarHBondContact O-CB 3.37Å; K142-Y146 PolarHBondContact O-N 3.35Å; K142-L282 HydrophobicContact CB-CD1 4Å; K142-L282 HydrophobicContact CD-CD1 4.08Å; K142-L282 HydrophobicContact CG-CD1 4.5Å; K142-W285 HydrophobicContact CD-CD2 3.48Å; K142-W285 VanDerWaalsContact CD-CD2 3.48Å; K142-W285 HydrophobicContact CD-CE3 3.66Å; K142-W285 HydrophobicContact CD-CG 3.95Å; K142-W285 HydrophobicContact CD-CH2 4.29Å; K142-W285 HydrophobicContact CD-CZ2 4.14Å; K142-W285 HydrophobicContact CD-CZ3 4.06Å; K142-W285 VanDerWaalsContact CE-CD1 3.5Å; K142-W285 VanDerWaalsContact CE-CD2 3.43Å; K142-W285 VanDerWaalsContact CE-NE1 3.3Å |
| 143 | T | 96.1 | Very high | 95 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.9 | -50 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | Y73 L139 K140 S141 S145 N147 | Y73-T143 HydrophobicContact CD2-CG2 3.99Å; Y73-T143 HydrophobicContact CE1-CG2 4.46Å; Y73-T143 WeakPolarHBondContact CE1-OG1 3.49Å; Y73-T143 HydrophobicContact CE2-CG2 3.62Å; Y73-T143 WeakPolarHBondContact OH-CA 3.39Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 PolarHBondContact O-N 3.34Å; L139-T143 PolarHBondContact O-OG1 3.49Å; K140-T143 PolarHBondContact O-N 2.68Å; S141-T143 VanDerWaalsContact C-N 3.34Å; S141-T143 PolarHBondContact O-N 3.01Å; T143-S145 PolarHBondContact O-N 3.35Å; T143-N147 WeakPolarHBondContact CG2-ND2 3.1Å; T143-N147 WeakPolarHBondContact O-CB 3.45Å; T143-N147 PolarHBondContact O-N 2.99Å; T143-N147 PolarHBondContact O-ND2 2.73Å |
| 144 | T | 96.5 | Very high | 95 | Very high | 101 Ų | 101 | 53.7 Ų | 53.7 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | K140 S141 A148 | K140-T144 WeakPolarHBondContact O-CB 3.43Å; K140-T144 PolarHBondContact O-N 3.2Å; K140-T144 PolarHBondContact O-OG1 3.02Å; S141-T144 PolarHBondContact O-N 3.06Å; T144-A148 WeakPolarHBondContact O-CB 3.2Å; T144-A148 PolarHBondContact O-N 3.47Å |
| 145 | S | 94.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 49% | 0.49 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -49.7 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 112.6 | S141 K142 T143 A148 L149 | S141-S145 PolarHBondContact O-N 2.97Å; K142-S145 PolarHBondContact O-N 3.34Å; T143-S145 PolarHBondContact O-N 3.35Å; S145-A148 PolarHBondContact O-N 2.82Å; S145-L149 PolarHBondContact O-N 2.91Å |
| 146 | Y | 96 | Very high | 94.5 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | -178.5 | -171.6 | -97.3 | 0 | 0 | 0 | 111.9 | I77 K142 A148 L149 K150 K275 Q278 F279 L282 | I77-Y146 HydrophobicContact CD1-CD1 3.87Å; I77-Y146 HydrophobicContact CD1-CE1 4.09Å; I77-Y146 HydrophobicContact CD1-CG 4.44Å; I77-Y146 HydrophobicContact CG1-CD1 4.4Å; I77-Y146 HydrophobicContact CG1-CE1 4.36Å; K142-Y146 WeakPolarHBondContact O-CB 3.37Å; K142-Y146 PolarHBondContact O-N 3.35Å; Y146-A148 VanDerWaalsContact C-N 3.33Å; Y146-A148 PolarHBondContact O-N 3.18Å; Y146-L149 WeakPolarHBondContact O-CB 3.48Å; Y146-L149 PolarHBondContact O-N 2.93Å; Y146-K150 PolarHBondContact O-N 3.03Å; Y146-K275 HydrophobicContact CE2-CG 4.16Å; Y146-K275 WeakPolarHBondContact OH-CE 3.4Å; Y146-Q278 HydrophobicContact CD2-CB 4.03Å; Y146-Q278 HydrophobicContact CE2-CB 4.22Å; Y146-F279 HydrophobicContact CE2-CB 4.32Å; Y146-F279 WeakPolarHBondContact OH-CD2 3.38Å; Y146-L282 HydrophobicContact CD1-CD2 3.99Å; Y146-L282 HydrophobicContact CD2-CD2 3.57Å; Y146-L282 HydrophobicContact CE2-CD2 4.24Å; Y146-L282 HydrophobicContact CG-CD2 3.43Å; Y146-L282 VanDerWaalsContact CG-CD2 3.43Å |
| 147 | N | 95.2 | Very high | 94 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 177.9 | -70 | -9.4 | 0 | 0 | 0 | 112.3 | Y73 T143 L149 K150 N151 | Y73-N147 PolarHBondContact OH-OD1 3.36Å; T143-N147 WeakPolarHBondContact CG2-ND2 3.1Å; T143-N147 WeakPolarHBondContact O-CB 3.45Å; T143-N147 PolarHBondContact O-N 2.99Å; T143-N147 PolarHBondContact O-ND2 2.73Å; N147-L149 VanDerWaalsContact C-N 3.33Å; N147-L149 PolarHBondContact O-N 2.75Å; N147-K150 PolarHBondContact O-N 3.42Å; N147-N151 VanDerWaalsContact O-CB 3.28Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-N 3.42Å; N147-N151 PolarHBondContact O-ND2 2.94Å |
| 148 | A | 95.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | T144 S145 Y146 S152 | T144-A148 WeakPolarHBondContact O-CB 3.2Å; T144-A148 PolarHBondContact O-N 3.47Å; S145-A148 PolarHBondContact O-N 2.82Å; Y146-A148 VanDerWaalsContact C-N 3.33Å; Y146-A148 PolarHBondContact O-N 3.18Å; A148-S152 WeakPolarHBondContact O-CB 3.47Å; A148-S152 PolarHBondContact O-N 3.23Å; A148-S152 PolarHBondContact O-OG 3.1Å |
| 149 | L | 93.8 | Very high | 92.7 | Very high | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 173.7 | -69.9 | 171.2 | 0 | 0 | 0 | 111.1 | S145 Y146 N147 N151 S152 L153 L271 E274 Q278 | S145-L149 PolarHBondContact O-N 2.91Å; Y146-L149 WeakPolarHBondContact O-CB 3.48Å; Y146-L149 PolarHBondContact O-N 2.93Å; N147-L149 VanDerWaalsContact C-N 3.33Å; N147-L149 PolarHBondContact O-N 2.75Å; L149-N151 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 3.48Å; L149-S152 PolarHBondContact O-N 2.74Å; L149-L153 WeakPolarHBondContact O-CB 3.35Å; L149-L153 PolarHBondContact O-N 3.11Å; L149-L271 HydrophobicContact CD2-CD2 4.02Å; L149-E274 HydrophobicContact CD1-CG 3.97Å; L149-E274 HydrophobicContact CD2-CG 4.21Å; L149-Q278 HydrophobicContact CD1-CG 4.16Å |
| 150 | K | 93.9 | Very high | 91.9 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 30% | 0.296 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 178.2 | -178 | 172.7 | 171.1 | 167.5 | 0 | 112 | E79 Y146 N147 L153 S154 | E79-K150 VanDerWaalsContact OE1-CE 3.26Å; E79-K150 WeakPolarHBondContact OE1-CE 3.27Å; E79-K150 IonicContact OE1-NZ 3.52Å; E79-K150 PolarHBondContact OE1-NZ 3.23Å; Y146-K150 PolarHBondContact O-N 3.03Å; N147-K150 PolarHBondContact O-N 3.42Å; K150-L153 PolarHBondContact O-N 3.17Å; K150-S154 WeakPolarHBondContact O-CB 3.44Å; K150-S154 PolarHBondContact O-N 3.47Å |
| 151 | N | 94.7 | Very high | 91 | Very high | 108 Ų | 108 | 68.1 Ų | 68.1 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.5 | -42.7 | 179.6 | -70.3 | -16.3 | 0 | 0 | 0 | 111.9 | N147 L149 L153 S154 A155 | N147-N151 VanDerWaalsContact O-CB 3.28Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-N 3.42Å; N147-N151 PolarHBondContact O-ND2 2.94Å; L149-N151 VanDerWaalsContact C-N 3.34Å; L149-N151 PolarHBondContact O-N 3.48Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 3.34Å; N151-S154 PolarHBondContact O-N 3.34Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.28Å |
| 152 | S | 93.9 | Very high | 90.2 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | A148 L149 A155 L156 | A148-S152 WeakPolarHBondContact O-CB 3.47Å; A148-S152 PolarHBondContact O-N 3.23Å; A148-S152 PolarHBondContact O-OG 3.1Å; L149-S152 PolarHBondContact O-N 2.74Å; S152-A155 PolarHBondContact O-N 3.42Å; S152-L156 PolarHBondContact O-N 3Å |
| 153 | L | 92.5 | Very high | 89.9 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.063 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 178 | -172 | 65.2 | 0 | 0 | 0 | 111.7 | L149 K150 N151 A155 L156 E157 R268 L271 A272 K275 | L149-L153 WeakPolarHBondContact O-CB 3.35Å; L149-L153 PolarHBondContact O-N 3.11Å; K150-L153 PolarHBondContact O-N 3.17Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 3.34Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.02Å; L153-L156 WeakPolarHBondContact O-CB 3.29Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L153-E157 WeakPolarHBondContact O-CG 3.38Å; L153-E157 PolarHBondContact O-N 3Å; L153-R268 HydrophobicContact CD1-CG 4.18Å; L153-L271 HydrophobicContact CD1-CB 4.25Å; L153-A272 HydrophobicContact CD1-CB 4.14Å; L153-A272 HydrophobicContact CD2-CB 4.31Å; L153-K275 HydrophobicContact CD2-CD 3.93Å |
| 154 | S | 91.1 | Very high | 89.8 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | K150 N151 L156 E157 R158 | K150-S154 WeakPolarHBondContact O-CB 3.44Å; K150-S154 PolarHBondContact O-N 3.47Å; N151-S154 PolarHBondContact O-N 3.34Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.89Å; S154-E157 PolarHBondContact O-N 3Å; S154-R158 WeakPolarHBondContact O-CB 3.39Å; S154-R158 WeakPolarHBondContact O-CG 3.41Å; S154-R158 PolarHBondContact O-N 3.48Å |
| 155 | A | 89.3 | Confident | 89.5 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -37 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N151 S152 L153 K159 | N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.28Å; S152-A155 PolarHBondContact O-N 3.42Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.02Å; A155-K159 PolarHBondContact O-N 2.87Å |
| 156 | L | 86.1 | Confident | 89.3 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 30% | 0.304 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | 173.6 | -67.9 | 176.4 | 0 | 0 | 0 | 111.8 | S152 L153 S154 R158 K159 A160 R268 L271 | S152-L156 PolarHBondContact O-N 3Å; L153-L156 WeakPolarHBondContact O-CB 3.29Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-L156 VanDerWaalsContact O-N 3.09Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.89Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 2.86Å; L156-K159 PolarHBondContact O-N 3.05Å; L156-K159 VanDerWaalsContact O-N 3.12Å; L156-A160 PolarHBondContact O-N 3.47Å; L156-R268 HydrophobicContact CD1-CB 4.16Å; L156-R268 HydrophobicContact CD1-CG 4.41Å; L156-L271 HydrophobicContact CD1-CD1 3.67Å |
| 157 | E | 86.1 | Confident | 89 | Confident | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.453 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.3 | -71.6 | 171.5 | 168.2 | 0 | 0 | 112.3 | L153 S154 K159 A160 T161 | L153-E157 WeakPolarHBondContact O-CG 3.38Å; L153-E157 PolarHBondContact O-N 3Å; S154-E157 PolarHBondContact O-N 3Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.37Å; E157-A160 CarbonylContact O-C 3.54Å; E157-A160 PolarHBondContact O-N 3.45Å; E157-A160 VanDerWaalsContact O-N 3.12Å; E157-T161 PolarHBondContact O-N 3.29Å; E157-T161 PolarHBondContact O-OG1 3.45Å |
| 158 | R | 84.6 | Confident | 88.6 | Confident | 187 Ų | 187 | 66.2 Ų | 66.2 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.5 | -33.8 | 173.8 | -76.2 | -179.7 | -176.3 | -159.6 | 0.9 | 112.9 | S154 L156 A160 T161 | S154-R158 WeakPolarHBondContact O-CB 3.39Å; S154-R158 WeakPolarHBondContact O-CG 3.41Å; S154-R158 PolarHBondContact O-N 3.48Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 2.86Å; R158-A160 VanDerWaalsContact C-N 3.32Å; R158-T161 WeakPolarHBondContact CA-OG1 3.18Å; R158-T161 PolarHBondContact O-N 2.88Å |
| 159 | K | 81.2 | Confident | 88.4 | Confident | 137 Ų | 137 | 63.9 Ų | 63.9 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.4 | -30.3 | 174.5 | -69.7 | -179.7 | 179.1 | -176.7 | 0 | 112 | A155 L156 E157 T161 D168 | A155-K159 PolarHBondContact O-N 2.87Å; L156-K159 PolarHBondContact O-N 3.05Å; L156-K159 VanDerWaalsContact O-N 3.12Å; E157-K159 VanDerWaalsContact C-N 3.29Å; E157-K159 PolarHBondContact O-N 3.37Å; K159-T161 VanDerWaalsContact C-N 3.35Å; K159-D168 PolarHBondContact O-N 3.43Å |
| 160 | A | 79.2 | Confident | 88.1 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -78.9 | -17.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L156 E157 R158 K167 | L156-A160 PolarHBondContact O-N 3.47Å; E157-A160 CarbonylContact O-C 3.54Å; E157-A160 PolarHBondContact O-N 3.45Å; E157-A160 VanDerWaalsContact O-N 3.12Å; R158-A160 VanDerWaalsContact C-N 3.32Å; A160-K167 WeakPolarHBondContact O-CD 3.41Å; A160-K167 WeakPolarHBondContact O-CE 3.49Å; A160-K167 PolarHBondContact O-NZ 3.04Å |
| 161 | T | 77.8 | Confident | 87.8 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -116.2 | 107.3 | -175.5 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | E157 R158 K159 | E157-T161 PolarHBondContact O-N 3.29Å; E157-T161 PolarHBondContact O-OG1 3.45Å; R158-T161 WeakPolarHBondContact CA-OG1 3.18Å; R158-T161 PolarHBondContact O-N 2.88Å; K159-T161 VanDerWaalsContact C-N 3.35Å |
| 162 | G | 80.3 | Confident | 87.5 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 172.9 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K167 | G162-K167 WeakPolarHBondContact O-CD 3.39Š|
| 163 | S | 90.2 | Very high | 87.5 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | trans | -63.5 | 153.2 | 170.5 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | L165 T166 K167 | S163-L165 PolarHBondContact O-N 3.36Å; S163-L165 PolarHBondContact OG-N 3.41Å; S163-T166 PolarHBondContact O-N 2.91Å; S163-K167 WeakPolarHBondContact O-CB 3.45Å; S163-K167 PolarHBondContact O-N 3.17Å | ||
| 164 | L | 93 | Very high | 87.6 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -22.6 | 172 | -75.2 | 171.6 | 0 | 0 | 0 | 114.6 | T166 L169 I172 V191 Y220 D222 N225 L227 R252 | L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 3.25Å; L164-L169 HydrophobicContact CD2-CD2 4.26Å; L164-I172 HydrophobicContact CD2-CD1 3.67Å; L164-V191 HydrophobicContact CB-CG1 4.14Å; L164-V191 HydrophobicContact CB-CG2 4.13Å; L164-Y220 HydrophobicContact CD1-CD1 4.2Å; L164-Y220 HydrophobicContact CD2-CD1 3.86Å; L164-Y220 HydrophobicContact CD2-CE1 4.45Å; L164-Y220 HydrophobicContact CG-CD1 4.36Å; L164-D222 HydrophobicContact CD1-CB 4.24Å; L164-D222 HydrophobicContact CG-CB 4.33Å; L164-D222 VanDerWaalsContact CG-OD2 3.31Å; L164-D222 WeakPolarHBondContact CG-OD2 3.43Å; L164-D222 PolarHBondContact N-OD2 2.93Å; L164-N225 HydrophobicContact CD1-CB 4.14Å; L164-N225 WeakPolarHBondContact CD1-O 3.34Å; L164-L227 HydrophobicContact CD1-CB 4.03Å; L164-L227 HydrophobicContact CD2-CB 4.07Å; L164-L227 HydrophobicContact CD2-CD2 4.37Å; L164-R252 PolarHBondContact O-NE 2.97Å; L164-R252 VanDerWaalsContact O-NE 3.14Å |
| 165 | L | 91.2 | Very high | 87.7 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.8 | 176 | -66.7 | 175.9 | 0 | 0 | 0 | 114.6 | S163 V191 I250 R252 | S163-L165 PolarHBondContact O-N 3.36Å; S163-L165 PolarHBondContact OG-N 3.41Å; L165-V191 HydrophobicContact CD2-CB 3.92Å; L165-V191 HydrophobicContact CD2-CG1 3.6Å; L165-V191 HydrophobicContact CD2-CG2 4.39Å; L165-V191 HydrophobicContact CG-CG1 4.18Å; L165-I250 HydrophobicContact CD2-CB 4.08Å; L165-I250 HydrophobicContact CD2-CD1 3.46Å; L165-I250 VanDerWaalsContact CD2-CD1 3.46Å; L165-I250 HydrophobicContact CD2-CG1 4.31Å; L165-I250 HydrophobicContact CD2-CG2 4.16Å; L165-R252 PolarHBondContact O-NH1 3.36Å |
| 166 | T | 89.1 | Confident | 87.9 | Confident | 106 Ų | 106 | 71 Ų | 71 | 65% | 0.65 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | -23.3 | -174.8 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | S163 L164 R252 | S163-T166 PolarHBondContact O-N 2.91Å; L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 3.25Å; T166-R252 PolarHBondContact O-NH2 3.02Å |
| 167 | K | 89.7 | Confident | 88.4 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -58.2 | 141.8 | -179.6 | 178.9 | 166.5 | 174.6 | 150.5 | 0 | 112.4 | A160 G162 S163 L169 I172 R252 | A160-K167 WeakPolarHBondContact O-CD 3.41Å; A160-K167 WeakPolarHBondContact O-CE 3.49Å; A160-K167 PolarHBondContact O-NZ 3.04Å; G162-K167 WeakPolarHBondContact O-CD 3.39Å; S163-K167 WeakPolarHBondContact O-CB 3.45Å; S163-K167 PolarHBondContact O-N 3.17Å; K167-L169 WeakPolarHBondContact O-CD2 3.28Å; K167-L169 PolarHBondContact O-N 2.81Å; K167-I172 HydrophobicContact CD-CD1 4.4Å; K167-R252 PolarHBondContact O-NH2 2.88Å |
| 168 | D | 87.6 | Confident | 88.8 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | trans | -60.8 | 121.4 | 168.8 | -173.4 | -4.9 | 0 | 0 | 0 | 110.2 | K159 S170 | K159-D168 PolarHBondContact O-N 3.43Å; D168-S170 VanDerWaalsContact C-N 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.48Å; D168-S170 PolarHBondContact OD1-N 3.38Å; D168-S170 PolarHBondContact OD1-OG 3.18Å | ||
| 169 | L | 91.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -85.8 | -6 | -175.5 | -54.7 | -179.5 | 0 | 0 | 0 | 112.4 | L164 K167 E171 I172 V173 L189 L227 R252 F254 | L164-L169 HydrophobicContact CD2-CD2 4.26Å; K167-L169 WeakPolarHBondContact O-CD2 3.28Å; K167-L169 PolarHBondContact O-N 2.81Å; L169-E171 PolarHBondContact O-N 2.92Å; L169-E171 VanDerWaalsContact O-N 3.13Å; L169-I172 HydrophobicContact CD2-CD1 4.13Å; L169-I172 PolarHBondContact O-N 3.45Å; L169-V173 HydrophobicContact CB-CG1 4.22Å; L169-V173 WeakPolarHBondContact O-CG2 3.43Å; L169-V173 PolarHBondContact O-N 2.82Å; L169-L189 HydrophobicContact CD1-CD1 3.54Å; L169-L227 HydrophobicContact CD1-CD1 4.17Å; L169-L227 HydrophobicContact CD1-CD2 4.35Å; L169-L227 HydrophobicContact CD2-CD1 4.45Å; L169-L227 HydrophobicContact CD2-CD2 4.01Å; L169-R252 HydrophobicContact CD1-CB 3.97Å; L169-R252 HydrophobicContact CD1-CG 4.08Å; L169-F254 HydrophobicContact CB-CD2 3.97Å; L169-F254 HydrophobicContact CB-CE2 3.95Å; L169-F254 HydrophobicContact CD1-CB 4.38Å; L169-F254 HydrophobicContact CD1-CD2 4.35Å; L169-F254 HydrophobicContact CD1-CG 4.42Å |
| 170 | S | 87.7 | Confident | 89.8 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -57.7 | -27.7 | -175.7 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | D168 | D168-S170 VanDerWaalsContact C-N 3.31Å; D168-S170 WeakPolarHBondContact OD1-CB 3.48Å; D168-S170 PolarHBondContact OD1-N 3.38Å; D168-S170 PolarHBondContact OD1-OG 3.18Å |
| 171 | E | 85.6 | Confident | 90.3 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -92 | -10 | 176.2 | -64.9 | -164.5 | 149.4 | 0 | 0 | 113.8 | L169 R268 | L169-E171 PolarHBondContact O-N 2.92Å; L169-E171 VanDerWaalsContact O-N 3.13Å; E171-R268 IonicContact OE1-CZ 2.76Å; E171-R268 IonicContact OE1-NH1 2.77Å; E171-R268 PolarHBondContact OE1-NH1 3.48Å; E171-R268 IonicContact OE1-NH2 2.71Å; E171-R268 PolarHBondContact OE1-NH2 3.43Å; E171-R268 IonicContact OE2-NH1 3.54Å |
| 172 | I | 90.4 | Very high | 91 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -45.7 | -176.2 | -60.9 | 179.1 | 0 | 0 | 0 | 110.4 | L164 K167 L169 Y220 L227 | L164-I172 HydrophobicContact CD2-CD1 3.67Å; K167-I172 HydrophobicContact CD-CD1 4.4Å; L169-I172 HydrophobicContact CD2-CD1 4.13Å; L169-I172 PolarHBondContact O-N 3.45Å; I172-Y220 HydrophobicContact CD1-CD1 4.26Å; I172-Y220 HydrophobicContact CD1-CG 4.41Å; I172-Y220 HydrophobicContact CG2-CD2 4.14Å; I172-Y220 HydrophobicContact CG2-CG 3.81Å; I172-L227 HydrophobicContact CG2-CD2 3.97Å |
| 173 | V | 93.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | trans | -88.7 | 150.6 | -170.9 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | L169 F178 L189 L219 L227 F254 Y256 | L169-V173 HydrophobicContact CB-CG1 4.22Å; L169-V173 WeakPolarHBondContact O-CG2 3.43Å; L169-V173 PolarHBondContact O-N 2.82Å; V173-F178 HydrophobicContact CB-CE2 3.67Å; V173-F178 HydrophobicContact CB-CZ 3.83Å; V173-F178 HydrophobicContact CG1-CE2 4.46Å; V173-F178 HydrophobicContact CG1-CZ 4.15Å; V173-F178 HydrophobicContact CG2-CE2 3.71Å; V173-F178 HydrophobicContact CG2-CZ 3.81Å; V173-L189 HydrophobicContact CG1-CD1 3.81Å; V173-L189 HydrophobicContact CG1-CD2 4.44Å; V173-L219 HydrophobicContact CG1-CD1 4.16Å; V173-L227 HydrophobicContact CG1-CD2 4.17Å; V173-F254 HydrophobicContact CG2-CE1 3.72Å; V173-F254 HydrophobicContact CG2-CZ 3.65Å; V173-Y256 HydrophobicContact CG2-CD2 4.04Å; V173-Y256 HydrophobicContact CG2-CE2 4.32Å | ||
| 174 | K | 93.7 | Very high | 91.9 | Very high | 139 Ų | 139 | 70.3 Ų | 70.3 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | trans | -120.7 | 158.9 | -179.8 | -59.9 | 174.1 | -173.5 | 172.4 | 0 | 110.3 | S176 D177 F178 | K174-S176 PolarHBondContact O-N 2.95Å; K174-S176 VanDerWaalsContact O-N 3.13Å; K174-D177 PolarHBondContact N-OD2 3.37Å; K174-D177 WeakPolarHBondContact O-CB 3.45Å; K174-D177 PolarHBondContact O-N 2.83Å; K174-F178 VanDerWaalsContact O-CD2 3.28Å; K174-F178 WeakPolarHBondContact O-CD2 3.39Å; K174-F178 WeakPolarHBondContact O-CE2 3.39Å | ||
| 175 | K | 93.8 | Very high | 92.1 | Very high | 104 Ų | 104 | 72.3 Ų | 72.3 | 45% | 0.452 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -49.7 | -40.3 | 173.6 | -168.4 | 171.8 | -174.5 | 158.1 | 0 | 113.1 | D177 F178 L180 Y256 E258 | K175-D177 PolarHBondContact O-N 3.22Å; K175-F178 PolarHBondContact O-N 3.31Å; K175-L180 HydrophobicContact CD-CD1 4.41Å; K175-L180 HydrophobicContact CG-CD1 3.8Å; K175-Y256 VanDerWaalsContact CA-CZ 3.48Å; K175-Y256 WeakPolarHBondContact CA-OH 3.35Å; K175-Y256 HydrophobicContact CB-CE1 4.08Å; K175-Y256 WeakPolarHBondContact CB-OH 3.23Å; K175-Y256 HydrophobicContact CG-CE1 4.07Å; K175-Y256 PolarHBondContact N-OH 3.31Å; K175-E258 IonicContact NZ-OE2 2.74Å; K175-E258 PolarHBondContact NZ-OE2 2.82Å |
| 176 | S | 94 | Very high | 92.4 | Very high | 90 Ų | 90 | 71.2 Ų | 71.2 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -65 | -15.6 | -180 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | K174 F178 | K174-S176 PolarHBondContact O-N 2.95Å; K174-S176 VanDerWaalsContact O-N 3.13Å; S176-F178 VanDerWaalsContact C-N 3.3Å |
| 177 | D | 95.2 | Very high | 92.7 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -84.2 | -10.3 | -177.4 | -55 | -28.4 | 0 | 0 | 0 | 111.8 | K174 K175 T187 L219 | K174-D177 PolarHBondContact N-OD2 3.37Å; K174-D177 WeakPolarHBondContact O-CB 3.45Å; K174-D177 PolarHBondContact O-N 2.83Å; K175-D177 PolarHBondContact O-N 3.22Å; D177-T187 WeakPolarHBondContact O-CG2 3.34Å; D177-L219 HydrophobicContact CB-CD1 4.01Å; D177-L219 HydrophobicContact CB-CD2 4.02Å |
| 178 | F | 95.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -121.3 | 141.8 | -175.1 | -56.6 | -94.1 | 0 | 0 | 0 | 112.4 | V173 K174 K175 S176 L180 T187 L189 F254 Y256 | V173-F178 HydrophobicContact CB-CE2 3.67Å; V173-F178 HydrophobicContact CB-CZ 3.83Å; V173-F178 HydrophobicContact CG1-CE2 4.46Å; V173-F178 HydrophobicContact CG1-CZ 4.15Å; V173-F178 HydrophobicContact CG2-CE2 3.71Å; V173-F178 HydrophobicContact CG2-CZ 3.81Å; K174-F178 VanDerWaalsContact O-CD2 3.28Å; K174-F178 WeakPolarHBondContact O-CD2 3.39Å; K174-F178 WeakPolarHBondContact O-CE2 3.39Å; K175-F178 PolarHBondContact O-N 3.31Å; S176-F178 VanDerWaalsContact C-N 3.3Å; F178-L180 HydrophobicContact CB-CD2 3.82Å; F178-L180 HydrophobicContact CB-CG 4.36Å; F178-L180 PolarHBondContact O-N 3.32Å; F178-T187 HydrophobicContact CD1-CG2 4.14Å; F178-L189 HydrophobicContact CE1-CD1 4.27Å; F178-L189 HydrophobicContact CE1-CD2 4.03Å; F178-L189 HydrophobicContact CE1-CG 4.11Å; F178-L189 HydrophobicContact CZ-CD1 4.04Å; F178-L189 HydrophobicContact CZ-CD2 4.04Å; F178-L189 HydrophobicContact CZ-CG 4.28Å; F178-F254 HydrophobicContact CE1-CD1 4.08Å; F178-F254 HydrophobicContact CE1-CE1 4.19Å; F178-F254 HydrophobicContact CE2-CE1 4.44Å; F178-F254 AromaticContact CZ-CD1 3.95Å; F178-F254 HydrophobicContact CZ-CD1 3.95Å; F178-F254 AromaticContact CZ-CE1 3.69Å; F178-F254 HydrophobicContact CZ-CE1 3.69Å; F178-Y256 HydrophobicContact CD2-CD1 4.39Å; F178-Y256 AromaticContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CD2 3.45Å; F178-Y256 VanDerWaalsContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CE2 4.23Å; F178-Y256 AromaticContact CD2-CG 3.54Å; F178-Y256 HydrophobicContact CD2-CG 3.54Å; F178-Y256 AromaticContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CE2 4.08Å; F178-Y256 AromaticContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CG-CD2 4.35Å; F178-Y256 HydrophobicContact CG-CG 4.02Å; F178-Y256 HydrophobicContact CZ-CD2 4.01Å; F178-Y256 HydrophobicContact CZ-CG 4.38Å |
| 179 | I | 94 | Very high | 93.6 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 40% | 0.395 | 31% | 0.309 | S | S | . | . | trans | -79 | 109.7 | 160.7 | -55.6 | -56.2 | 0 | 0 | 0 | 108.3 | L185 T187 T231 | I179-L185 HydrophobicContact CG2-CB 4.24Å; I179-T187 PolarHBondContact N-OG1 3.09Å; I179-T231 HydrophobicContact CG1-CG2 3.82Å | ||
| 180 | L | 91.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 61.3 Ų | 61.3 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | trans | -97.1 | 160.8 | 177.2 | -55.6 | -179.9 | 0 | 0 | 0 | 110.6 | K175 F178 S182 Y256 | K175-L180 HydrophobicContact CD-CD1 4.41Å; K175-L180 HydrophobicContact CG-CD1 3.8Å; F178-L180 HydrophobicContact CB-CD2 3.82Å; F178-L180 HydrophobicContact CB-CG 4.36Å; F178-L180 PolarHBondContact O-N 3.32Å; L180-S182 PolarHBondContact O-N 2.86Å; L180-Y256 HydrophobicContact CD1-CD1 4.17Å; L180-Y256 HydrophobicContact CD1-CE1 4.31Å; L180-Y256 HydrophobicContact CD2-CD1 3.9Å | ||
| 181 | D | 89 | Confident | 94.4 | Very high | 172 Ų | 172 | 59.6 Ų | 59.6 | 92% | 0.92 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 54.4 | 22.7 | 173.9 | -52 | -40.7 | 0 | 0 | 0 | 115.5 | ||
| 182 | S | 93.7 | Very high | 95 | Very high | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | trans | -94.3 | 127.4 | 174 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | L180 Y184 L185 R234 | L180-S182 PolarHBondContact O-N 2.86Å; S182-Y184 VanDerWaalsContact C-N 3.32Å; S182-Y184 PolarHBondContact OG-N 3.04Å; S182-L185 WeakPolarHBondContact OG-CB 3.25Å; S182-L185 PolarHBondContact OG-N 3.07Å; S182-R234 PolarHBondContact O-NE 3.43Å; S182-R234 VanDerWaalsContact O-NE 3.09Å; S182-R234 PolarHBondContact O-NH2 3.25Å | ||
| 183 | E | 94.3 | Very high | 95.4 | Very high | 142 Ų | 142 | 54.8 Ų | 54.8 | 66% | 0.664 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -65.6 | -35 | 174.3 | -169 | -176.2 | 151.6 | 0 | 0 | 111.9 | R234 | E183-R234 VanDerWaalsContact O-CD 3.3Å; E183-R234 WeakPolarHBondContact O-CD 3.1Å; E183-R234 PolarHBondContact O-NE 3.12Å |
| 184 | Y | 95.5 | Very high | 95.5 | Very high | 141 Ų | 141 | 61.2 Ų | 61.2 | 55% | 0.553 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -109.2 | -32.5 | -172 | -57.3 | -64.8 | 0 | 0 | 0 | 114 | S182 F233 R234 | S182-Y184 VanDerWaalsContact C-N 3.32Å; S182-Y184 PolarHBondContact OG-N 3.04Å; Y184-F233 CarbonylContact O-C 3.57Å; Y184-F233 VanDerWaalsContact O-CA 3.29Å; Y184-F233 WeakPolarHBondContact O-CA 3.44Å; Y184-R234 PolarHBondContact O-N 2.91Å |
| 185 | L | 96.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 59.1 Ų | 59.1 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 148.4 | -176.6 | -59.3 | 177.3 | 0 | 0 | 0 | 111.3 | I179 S182 V212 T231 F233 R234 | I179-L185 HydrophobicContact CG2-CB 4.24Å; S182-L185 WeakPolarHBondContact OG-CB 3.25Å; S182-L185 PolarHBondContact OG-N 3.07Å; L185-V212 HydrophobicContact CD2-CG2 4.11Å; L185-T231 HydrophobicContact CB-CG2 4.27Å; L185-T231 HydrophobicContact CD1-CG2 4.45Å; L185-F233 HydrophobicContact CD2-CD2 3.53Å; L185-F233 HydrophobicContact CD2-CE2 3.5Å; L185-F233 HydrophobicContact CD2-CG 4.11Å; L185-F233 HydrophobicContact CD2-CZ 4.06Å; L185-R234 PolarHBondContact O-NE 3.11Å |
| 186 | I | 96.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.195 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.7 | 171 | -172.9 | 168.4 | 0 | 0 | 0 | 108.9 | T231 L232 R234 V237 | I186-T231 WeakPolarHBondContact O-CA 3.2Å; I186-L232 HydrophobicContact CG2-CD2 4.36Å; I186-L232 HydrophobicContact CG2-CG 4.5Å; I186-L232 PolarHBondContact N-O 3.34Å; I186-L232 PolarHBondContact O-N 3.19Å; I186-L232 VanDerWaalsContact O-O 3.11Å; I186-R234 HydrophobicContact CB-CG 3.79Å; I186-R234 HydrophobicContact CG2-CB 4.46Å; I186-R234 HydrophobicContact CG2-CG 3.84Å; I186-V237 HydrophobicContact CG2-CG2 3.53Å |
| 187 | T | 97.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.6 | 168.9 | -55 | 0 | 0 | 0 | 0 | 109.7 | D177 F178 I179 V230 | D177-T187 WeakPolarHBondContact O-CG2 3.34Å; F178-T187 HydrophobicContact CD1-CG2 4.14Å; I179-T187 PolarHBondContact N-OG1 3.09Å; T187-V230 CarbonylContact C-O 3.37Å; T187-V230 VanDerWaalsContact CA-O 3.31Å; T187-V230 WeakPolarHBondContact CA-O 3.26Å |
| 188 | V | 97.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 152.2 | 174.4 | -60.8 | 0 | 0 | 0 | 0 | 110 | V190 S229 V230 L232 V237 Y240 V251 | V188-V190 HydrophobicContact CG2-CG2 4.13Å; V188-S229 CarbonylContact O-C 3.58Å; V188-S229 WeakPolarHBondContact O-CA 3.47Å; V188-V230 HydrophobicContact CG2-CB 4.14Å; V188-V230 PolarHBondContact N-O 3.14Å; V188-V230 PolarHBondContact O-N 3.36Å; V188-L232 HydrophobicContact CB-CD2 4.15Å; V188-L232 HydrophobicContact CG1-CD2 3.73Å; V188-L232 HydrophobicContact CG2-CD2 3.46Å; V188-L232 VanDerWaalsContact CG2-CD2 3.46Å; V188-V237 HydrophobicContact CG1-CG1 4.25Å; V188-V237 HydrophobicContact CG1-CG2 4.39Å; V188-Y240 HydrophobicContact CG2-CD1 4.36Å; V188-Y240 HydrophobicContact CG2-CE1 4.2Å; V188-V251 HydrophobicContact CB-CG1 4.07Å; V188-V251 HydrophobicContact CG2-CG1 4.48Å |
| 189 | L | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.1 | 175.1 | -59.1 | 178.9 | 0 | 0 | 0 | 109.7 | L169 V173 F178 L219 L227 Y228 V251 R252 F254 | L169-L189 HydrophobicContact CD1-CD1 3.54Å; V173-L189 HydrophobicContact CG1-CD1 3.81Å; V173-L189 HydrophobicContact CG1-CD2 4.44Å; F178-L189 HydrophobicContact CE1-CD1 4.27Å; F178-L189 HydrophobicContact CE1-CD2 4.03Å; F178-L189 HydrophobicContact CE1-CG 4.11Å; F178-L189 HydrophobicContact CZ-CD1 4.04Å; F178-L189 HydrophobicContact CZ-CD2 4.04Å; F178-L189 HydrophobicContact CZ-CG 4.28Å; L189-L219 HydrophobicContact CD2-CD1 3.73Å; L189-L227 HydrophobicContact CB-CD1 4.09Å; L189-Y228 CarbonylContact C-O 3.59Å; L189-Y228 WeakPolarHBondContact CA-O 3.17Å; L189-V251 CarbonylContact O-C 3.58Å; L189-V251 WeakPolarHBondContact O-CA 3.08Å; L189-R252 HydrophobicContact CB-CB 4.3Å; L189-R252 PolarHBondContact O-N 2.81Å; L189-F254 HydrophobicContact CD1-CB 3.99Å; L189-F254 HydrophobicContact CD1-CD1 3.67Å; L189-F254 HydrophobicContact CD1-CE1 4.38Å; L189-F254 HydrophobicContact CD1-CG 3.89Å |
| 190 | V | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.7 | -176.7 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | V188 V192 W200 Y228 V230 Y240 F249 I250 V251 | V188-V190 HydrophobicContact CG2-CG2 4.13Å; V190-V192 HydrophobicContact CG1-CG2 4.11Å; V190-W200 HydrophobicContact CB-CH2 3.72Å; V190-W200 HydrophobicContact CB-CZ2 4.2Å; V190-W200 HydrophobicContact CB-CZ3 4.34Å; V190-W200 HydrophobicContact CG1-CH2 3.7Å; V190-W200 HydrophobicContact CG1-CZ2 4.48Å; V190-W200 HydrophobicContact CG1-CZ3 3.8Å; V190-W200 HydrophobicContact CG2-CH2 3.75Å; V190-W200 HydrophobicContact CG2-CZ2 4.42Å; V190-Y228 PolarHBondContact N-O 3.47Å; V190-Y228 PolarHBondContact O-N 2.83Å; V190-V230 HydrophobicContact CG2-CG2 4.4Å; V190-Y240 HydrophobicContact CG2-CE1 4.23Å; V190-F249 HydrophobicContact CG1-CB 3.81Å; V190-I250 CarbonylContact C-O 3.58Å; V190-I250 WeakPolarHBondContact CA-O 3.06Å; V190-V251 HydrophobicContact CG2-CG2 4.13Å |
| 191 | V | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.2 | 171.7 | -177 | 0 | 0 | 0 | 0 | 108.1 | L164 L165 N225 G226 L227 I250 R252 | L164-V191 HydrophobicContact CB-CG1 4.14Å; L164-V191 HydrophobicContact CB-CG2 4.13Å; L165-V191 HydrophobicContact CD2-CB 3.92Å; L165-V191 HydrophobicContact CD2-CG1 3.6Å; L165-V191 HydrophobicContact CD2-CG2 4.39Å; L165-V191 HydrophobicContact CG-CG1 4.18Å; V191-N225 HydrophobicContact CG1-CB 3.57Å; V191-G226 WeakPolarHBondContact CA-O 3.48Å; V191-L227 HydrophobicContact CG2-CD1 3.78Å; V191-I250 HydrophobicContact CB-CB 4.44Å; V191-I250 PolarHBondContact N-O 3.22Å; V191-I250 PolarHBondContact O-N 2.92Å; V191-R252 HydrophobicContact CG2-CG 3.56Å |
| 192 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.1 | -177.5 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | V190 L196 Y197 W200 N225 G226 Y228 F249 | V190-V192 HydrophobicContact CG1-CG2 4.11Å; V192-L196 HydrophobicContact CG1-CB 4.34Å; V192-Y197 HydrophobicContact CB-CD1 4.31Å; V192-Y197 HydrophobicContact CB-CE1 4.27Å; V192-Y197 HydrophobicContact CG1-CD1 3.82Å; V192-Y197 HydrophobicContact CG1-CE1 4.25Å; V192-Y197 WeakPolarHBondContact O-CE1 3.42Å; V192-W200 HydrophobicContact CG1-CB 3.76Å; V192-W200 HydrophobicContact CG1-CG 4.14Å; V192-W200 HydrophobicContact CG2-CB 4.34Å; V192-W200 HydrophobicContact CG2-CD2 3.64Å; V192-W200 HydrophobicContact CG2-CE3 3.86Å; V192-W200 HydrophobicContact CG2-CG 3.86Å; V192-W200 HydrophobicContact CG2-CZ3 4.39Å; V192-N225 CarbonylContact O-C 3.55Å; V192-N225 WeakPolarHBondContact O-CA 3Å; V192-G226 PolarHBondContact N-O 3.31Å; V192-G226 PolarHBondContact O-N 3.12Å; V192-Y228 HydrophobicContact CB-CD2 4Å; V192-Y228 HydrophobicContact CB-CE2 3.96Å; V192-Y228 HydrophobicContact CG2-CD2 3.66Å; V192-Y228 HydrophobicContact CG2-CE2 4.06Å; V192-F249 HydrophobicContact CB-CD1 4.45Å; V192-F249 HydrophobicContact CG1-CD1 3.88Å; V192-F249 HydrophobicContact CG1-CE1 3.89Å; V192-F249 HydrophobicContact CG2-CD1 4.24Å |
| 193 | P | 98 | Very high | 97.3 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 25% | 0.253 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 140.4 | 172.2 | -24.8 | 34.8 | 0 | 0 | 0 | 111.3 | A195 L196 Y197 | P193-A195 PolarHBondContact O-N 3.15Å; P193-A195 VanDerWaalsContact O-N 3.13Å; P193-L196 HydrophobicContact CB-CD1 4.35Å; P193-L196 HydrophobicContact CB-CG 4.37Å; P193-L196 HydrophobicContact CG-CD1 4.13Å; P193-L196 WeakPolarHBondContact O-CA 3.33Å; P193-L196 PolarHBondContact O-N 3.43Å; P193-Y197 WeakPolarHBondContact O-CD1 3.4Å |
| 194 | R | 97 | Very high | 97.4 | Very high | 144 Ų | 144 | 53.9 Ų | 53.9 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -54.4 | -37.4 | -176.4 | -160.2 | 178.3 | -157.8 | -171.7 | 6.1 | 113.6 | L196 Y197 E221 D224 | R194-L196 PolarHBondContact O-N 2.99Å; R194-Y197 HydrophobicContact CB-CE1 4.45Å; R194-Y197 HydrophobicContact CG-CD2 4.4Å; R194-Y197 HydrophobicContact CG-CE2 3.91Å; R194-Y197 PolarHBondContact O-N 3.21Å; R194-E221 IonicContact CZ-OE1 2.72Å; R194-E221 IonicContact NE-OE1 3.08Å; R194-E221 PolarHBondContact NE-OE1 3.47Å; R194-E221 IonicContact NH2-OE1 2.72Å; R194-E221 PolarHBondContact NH2-OE1 3.46Å; R194-D224 WeakPolarHBondContact CB-O 3.45Å; R194-D224 PolarHBondContact N-O 3.49Å |
| 195 | A | 97.2 | Very high | 97.5 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 79% | 0.793 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P193 | P193-A195 PolarHBondContact O-N 3.15Å; P193-A195 VanDerWaalsContact O-N 3.13Å |
| 196 | L | 98.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -109.3 | 12.5 | -173.7 | -56.2 | 179.9 | 0 | 0 | 0 | 113.5 | V192 P193 R194 K198 D199 W200 K248 F249 | V192-L196 HydrophobicContact CG1-CB 4.34Å; P193-L196 HydrophobicContact CB-CD1 4.35Å; P193-L196 HydrophobicContact CB-CG 4.37Å; P193-L196 HydrophobicContact CG-CD1 4.13Å; P193-L196 WeakPolarHBondContact O-CA 3.33Å; P193-L196 PolarHBondContact O-N 3.43Å; R194-L196 PolarHBondContact O-N 2.99Å; L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 2.96Å; L196-D199 PolarHBondContact O-N 3.32Å; L196-W200 WeakPolarHBondContact O-CB 3.24Å; L196-W200 PolarHBondContact O-N 2.89Å; L196-K248 HydrophobicContact CD1-CB 4Å; L196-F249 HydrophobicContact CB-CE1 3.92Å; L196-F249 HydrophobicContact CD1-CE1 4.19Å |
| 197 | Y | 97.9 | Very high | 97.6 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -38 | 179.8 | -75.4 | 1.2 | 0 | 0 | 0 | 113.5 | V192 P193 R194 W200 A201 E221 N225 G226 Y228 | V192-Y197 HydrophobicContact CB-CD1 4.31Å; V192-Y197 HydrophobicContact CB-CE1 4.27Å; V192-Y197 HydrophobicContact CG1-CD1 3.82Å; V192-Y197 HydrophobicContact CG1-CE1 4.25Å; V192-Y197 WeakPolarHBondContact O-CE1 3.42Å; P193-Y197 WeakPolarHBondContact O-CD1 3.4Å; R194-Y197 HydrophobicContact CB-CE1 4.45Å; R194-Y197 HydrophobicContact CG-CD2 4.4Å; R194-Y197 HydrophobicContact CG-CE2 3.91Å; R194-Y197 PolarHBondContact O-N 3.21Å; Y197-W200 PolarHBondContact O-N 2.9Å; Y197-A201 PolarHBondContact O-N 3.06Å; Y197-E221 WeakPolarHBondContact OH-CG 3.17Å; Y197-N225 VanDerWaalsContact OH-C 3.28Å; Y197-G226 WeakPolarHBondContact OH-CA 3.3Å; Y197-G226 PolarHBondContact OH-N 3.36Å; Y197-Y228 HydrophobicContact CD1-CE2 4.14Å; Y197-Y228 AromaticContact CE1-CE2 3.91Å; Y197-Y228 HydrophobicContact CE1-CE2 3.91Å |
| 198 | K | 97.6 | Very high | 97.6 | Very high | 178 Ų | 178 | 52 Ų | 52 | 77% | 0.774 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 176.7 | -67.5 | -176.5 | 179 | 178.9 | 0 | 111.1 | L196 W200 A201 V202 | L196-K198 VanDerWaalsContact C-N 3.29Å; L196-K198 PolarHBondContact O-N 2.96Å; K198-W200 VanDerWaalsContact C-N 3.33Å; K198-W200 PolarHBondContact O-N 2.88Å; K198-A201 PolarHBondContact O-N 3.47Å; K198-V202 WeakPolarHBondContact O-CG2 3.3Å; K198-V202 PolarHBondContact O-N 3.43Å |
| 199 | D | 97.5 | Very high | 97.4 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 41% | 0.406 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.8 | -68.8 | -6.3 | 0 | 0 | 0 | 111.2 | L196 V202 K203 F249 | L196-D199 PolarHBondContact O-N 3.32Å; D199-V202 PolarHBondContact O-N 2.88Å; D199-K203 VanDerWaalsContact O-CB 3.29Å; D199-K203 WeakPolarHBondContact O-CB 3.32Å; D199-K203 WeakPolarHBondContact O-CG 3.37Å; D199-K203 PolarHBondContact O-N 3.04Å; D199-F249 HydrophobicContact CB-CZ 4.46Å |
| 200 | W | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.011 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 174.9 | 172 | -107.1 | 0 | 0 | 0 | 112.1 | V190 V192 L196 Y197 K198 V202 K203 Y204 L207 S216 Y228 V230 Y240 F249 | V190-W200 HydrophobicContact CB-CH2 3.72Å; V190-W200 HydrophobicContact CB-CZ2 4.2Å; V190-W200 HydrophobicContact CB-CZ3 4.34Å; V190-W200 HydrophobicContact CG1-CH2 3.7Å; V190-W200 HydrophobicContact CG1-CZ2 4.48Å; V190-W200 HydrophobicContact CG1-CZ3 3.8Å; V190-W200 HydrophobicContact CG2-CH2 3.75Å; V190-W200 HydrophobicContact CG2-CZ2 4.42Å; V192-W200 HydrophobicContact CG1-CB 3.76Å; V192-W200 HydrophobicContact CG1-CG 4.14Å; V192-W200 HydrophobicContact CG2-CB 4.34Å; V192-W200 HydrophobicContact CG2-CD2 3.64Å; V192-W200 HydrophobicContact CG2-CE3 3.86Å; V192-W200 HydrophobicContact CG2-CG 3.86Å; V192-W200 HydrophobicContact CG2-CZ3 4.39Å; L196-W200 WeakPolarHBondContact O-CB 3.24Å; L196-W200 PolarHBondContact O-N 2.89Å; Y197-W200 PolarHBondContact O-N 2.9Å; K198-W200 VanDerWaalsContact C-N 3.33Å; K198-W200 PolarHBondContact O-N 2.88Å; W200-V202 PolarHBondContact O-N 3.36Å; W200-K203 PolarHBondContact O-N 2.9Å; W200-Y204 HydrophobicContact CZ2-CG 4.32Å; W200-Y204 WeakPolarHBondContact O-CB 3.34Å; W200-Y204 PolarHBondContact O-N 3.15Å; W200-L207 HydrophobicContact CZ3-CD1 4.1Å; W200-S216 PolarHBondContact NE1-OG 3.48Å; W200-Y228 AromaticContact CD1-CD1 3.93Å; W200-Y228 AromaticContact CD1-CE1 3.85Å; W200-Y228 AromaticContact CD1-CZ 3.99Å; W200-Y228 HydrophobicContact CZ2-CG 4.46Å; W200-Y228 AromaticContact NE1-CD1 3.38Å; W200-Y228 AromaticContact NE1-CD2 4Å; W200-Y228 AromaticContact NE1-CE1 3.79Å; W200-Y228 AromaticContact NE1-CG 3.5Å; W200-V230 HydrophobicContact CH2-CG2 3.67Å; W200-V230 HydrophobicContact CZ2-CG2 3.37Å; W200-Y240 VanDerWaalsContact CH2-OH 3.25Å; W200-Y240 WeakPolarHBondContact CH2-OH 3.47Å; W200-F249 HydrophobicContact CB-CE1 4.21Å; W200-F249 HydrophobicContact CB-CZ 4.1Å; W200-F249 HydrophobicContact CE3-CD1 4.26Å; W200-F249 AromaticContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CE1 4.36Å; W200-F249 AromaticContact CE3-CE2 3.67Å; W200-F249 HydrophobicContact CE3-CE2 3.67Å; W200-F249 AromaticContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CZ 4.09Å; W200-F249 HydrophobicContact CZ3-CB 4.37Å; W200-F249 AromaticContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CE2 4.27Å; W200-F249 HydrophobicContact CZ3-CG 4.12Å |
| 201 | A | 96.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 55% | 0.554 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59 | -32 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y197 K198 | Y197-A201 PolarHBondContact O-N 3.06Å; K198-A201 PolarHBondContact O-N 3.47Å |
| 202 | V | 96.8 | Very high | 97.3 | Very high | 118 Ų | 118 | 65.4 Ų | 65.4 | 72% | 0.715 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -83.6 | -37 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 112 | K198 D199 W200 | K198-V202 WeakPolarHBondContact O-CG2 3.3Å; K198-V202 PolarHBondContact O-N 3.43Å; D199-V202 PolarHBondContact O-N 2.88Å; W200-V202 PolarHBondContact O-N 3.36Å |
| 203 | K | 97.4 | Very high | 97.2 | Very high | 77 Ų | 77 | 69.4 Ų | 69.4 | 34% | 0.335 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -94.7 | -29.7 | -167.2 | -70.4 | 178.3 | 173.6 | -178.6 | 0 | 115.1 | D199 W200 E205 S206 L207 N247 | D199-K203 VanDerWaalsContact O-CB 3.29Å; D199-K203 WeakPolarHBondContact O-CB 3.32Å; D199-K203 WeakPolarHBondContact O-CG 3.37Å; D199-K203 PolarHBondContact O-N 3.04Å; W200-K203 PolarHBondContact O-N 2.9Å; K203-E205 PolarHBondContact O-N 3.32Å; K203-E205 VanDerWaalsContact O-N 3.09Å; K203-S206 PolarHBondContact O-N 3.42Å; K203-S206 PolarHBondContact O-OG 3.37Å; K203-L207 HydrophobicContact CB-CD2 4.4Å; K203-L207 WeakPolarHBondContact O-CG 3.36Å; K203-L207 PolarHBondContact O-N 3.04Å; K203-N247 WeakPolarHBondContact CD-OD1 3.42Å; K203-N247 PolarHBondContact NZ-OD1 3.47Å |
| 204 | Y | 98 | Very high | 97.1 | Very high | 12 Ų | 12 | 78.3 Ų | 78.3 | 5% | 0.047 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -57.6 | -35 | -163.5 | 89.5 | -81.4 | 0 | 0 | 0 | 113.3 | W200 S206 L207 V211 R214 S215 S216 V230 Y240 | W200-Y204 HydrophobicContact CZ2-CG 4.32Å; W200-Y204 WeakPolarHBondContact O-CB 3.34Å; W200-Y204 PolarHBondContact O-N 3.15Å; Y204-S206 VanDerWaalsContact C-N 3.29Å; Y204-S206 PolarHBondContact O-N 3.5Å; Y204-L207 PolarHBondContact O-N 3.4Å; Y204-V211 HydrophobicContact CD2-CG1 4.25Å; Y204-V211 HydrophobicContact CE2-CG1 4.28Å; Y204-R214 WeakPolarHBondContact OH-CA 3.44Å; Y204-R214 PolarHBondContact OH-N 3.33Å; Y204-S215 PolarHBondContact OH-N 3.07Å; Y204-S215 VanDerWaalsContact OH-N 3.12Å; Y204-S216 VanDerWaalsContact CE2-CB 3.46Å; Y204-S216 PolarHBondContact OH-N 3.01Å; Y204-V230 HydrophobicContact CD2-CG1 3.9Å; Y204-V230 HydrophobicContact CD2-CG2 4.07Å; Y204-V230 HydrophobicContact CE2-CG1 4.14Å; Y204-Y240 WeakPolarHBondContact O-CE2 3.43Å |
| 205 | E | 97.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 38% | 0.383 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -67.9 | -27.1 | 179.3 | -59.1 | -174.2 | 162 | 0 | 0 | 113.1 | K203 P213 R214 | K203-E205 PolarHBondContact O-N 3.32Å; K203-E205 VanDerWaalsContact O-N 3.09Å; E205-P213 WeakPolarHBondContact OE1-CA 3.4Å; E205-R214 PolarHBondContact OE1-N 2.67Å |
| 206 | S | 96.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 69 Ų | 69 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -101.2 | 2 | -177 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | K203 Y204 A208 | K203-S206 PolarHBondContact O-N 3.42Å; K203-S206 PolarHBondContact O-OG 3.37Å; Y204-S206 VanDerWaalsContact C-N 3.29Å; Y204-S206 PolarHBondContact O-N 3.5Å; S206-A208 PolarHBondContact O-N 3.36Å |
| 207 | L | 97 | Very high | 97.1 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -70.8 | -16.9 | 178.1 | -65.6 | 177.4 | 0 | 0 | 0 | 112.7 | W200 K203 Y204 Y240 H243 F249 | W200-L207 HydrophobicContact CZ3-CD1 4.1Å; K203-L207 HydrophobicContact CB-CD2 4.4Å; K203-L207 WeakPolarHBondContact O-CG 3.36Å; K203-L207 PolarHBondContact O-N 3.04Å; Y204-L207 PolarHBondContact O-N 3.4Å; L207-Y240 HydrophobicContact CB-CD2 3.78Å; L207-Y240 HydrophobicContact CB-CE2 3.59Å; L207-Y240 HydrophobicContact CD1-CE2 4.1Å; L207-Y240 HydrophobicContact CG-CE2 4.4Å; L207-H243 HydrophobicContact CB-CB 4.23Å; L207-H243 HydrophobicContact CD2-CB 4.14Å; L207-H243 PolarHBondContact O-ND1 2.81Å; L207-F249 HydrophobicContact CD1-CD2 4.11Å; L207-F249 HydrophobicContact CD1-CE2 4.36Å |
| 208 | A | 96.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 76.5 Ų | 76.5 | 4% | 0.041 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -157.3 | 157.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S206 M210 V211 V236 E239 Y240 | S206-A208 PolarHBondContact O-N 3.36Å; A208-M210 PolarHBondContact O-N 3.16Å; A208-V211 HydrophobicContact CB-CG2 3.99Å; A208-V211 VanDerWaalsContact O-CG2 3.3Å; A208-V211 WeakPolarHBondContact O-CG2 3.4Å; A208-V236 HydrophobicContact CB-CB 4.14Å; A208-V236 HydrophobicContact CB-CG2 4.34Å; A208-E239 HydrophobicContact CB-CG 4.49Å; A208-Y240 HydrophobicContact CB-CD2 3.99Å |
| 209 | N | 94.4 | Very high | 97.1 | Very high | 154 Ų | 154 | 70 Ų | 70 | 82% | 0.824 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -38.3 | -175.4 | -168.6 | -4.7 | 0 | 0 | 0 | 113 | V211 | N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 3.22Å |
| 210 | M | 96.4 | Very high | 97 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 42.1 | -174.2 | -58.1 | 179.4 | 169.1 | 0 | 0 | 113.1 | A208 L232 F233 V236 | A208-M210 PolarHBondContact O-N 3.16Å; M210-L232 WeakPolarHBondContact O-CA 3.2Å; M210-L232 WeakPolarHBondContact O-CB 3.49Å; M210-F233 HydrophobicContact CB-CB 3.7Å; M210-F233 HydrophobicContact CB-CD2 3.85Å; M210-F233 HydrophobicContact CB-CG 3.87Å; M210-F233 WeakPolarHBondContact O-CD2 3.19Å; M210-F233 PolarHBondContact O-N 3.48Å; M210-F233 HydrophobicContact SD-CB 4.1Å; M210-F233 HydrophobicContact SD-CD1 4.32Å; M210-F233 HydrophobicContact SD-CG 4.23Å; M210-V236 HydrophobicContact CB-CG1 3.97Å; M210-V236 HydrophobicContact CB-CG2 3.78Å; M210-V236 HydrophobicContact CG-CG1 4.11Å; M210-V236 HydrophobicContact SD-CG1 4.05Å |
| 211 | V | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 135.5 | 173.2 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | Y204 A208 N209 P213 V230 L232 Y240 | Y204-V211 HydrophobicContact CD2-CG1 4.25Å; Y204-V211 HydrophobicContact CE2-CG1 4.28Å; A208-V211 HydrophobicContact CB-CG2 3.99Å; A208-V211 VanDerWaalsContact O-CG2 3.3Å; A208-V211 WeakPolarHBondContact O-CG2 3.4Å; N209-V211 VanDerWaalsContact C-N 3.32Å; N209-V211 PolarHBondContact O-N 3.22Å; V211-P213 VanDerWaalsContact O-CD 3.27Å; V211-P213 WeakPolarHBondContact O-CD 3Å; V211-V230 HydrophobicContact CG1-CG1 3.92Å; V211-L232 HydrophobicContact CG2-CB 4.26Å; V211-Y240 HydrophobicContact CG1-CE2 4.36Å; V211-Y240 HydrophobicContact CG2-CD2 3.57Å; V211-Y240 HydrophobicContact CG2-CE2 3.51Å |
| 212 | V | 97.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 72.8 Ų | 72.8 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 119.5 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | L185 S215 T231 | L185-V212 HydrophobicContact CD2-CG2 4.11Å; V212-S215 WeakPolarHBondContact O-CB 3.44Å; V212-S215 PolarHBondContact O-N 3.46Å; V212-S215 PolarHBondContact O-OG 2.81Å; V212-T231 HydrophobicContact CB-CG2 4.46Å; V212-T231 VanDerWaalsContact CB-O 3.3Å; V212-T231 WeakPolarHBondContact CB-O 3.47Å; V212-T231 HydrophobicContact CG2-CG2 3.91Å; V212-T231 WeakPolarHBondContact CG2-O 3.46Å; V212-T231 PolarHBondContact N-O 2.8Å |
| 213 | P | 96.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 74 Ų | 74 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 148.1 | 179.5 | -22.7 | 34.5 | 0 | 0 | 0 | 111.9 | E205 V211 S215 | E205-P213 WeakPolarHBondContact OE1-CA 3.4Å; V211-P213 VanDerWaalsContact O-CD 3.27Å; V211-P213 WeakPolarHBondContact O-CD 3Å; P213-S215 PolarHBondContact O-N 3.49Å; P213-S215 VanDerWaalsContact O-N 3.17Å |
| 214 | R | 96.7 | Very high | 96.4 | Very high | 226 Ų | 226 | 75.7 Ų | 75.7 | 85% | 0.853 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23 | -176.2 | -57.6 | 175.1 | -69.1 | -179.5 | -2.4 | 114.1 | Y204 E205 | Y204-R214 WeakPolarHBondContact OH-CA 3.44Å; Y204-R214 PolarHBondContact OH-N 3.33Å; E205-R214 PolarHBondContact OE1-N 2.67Å |
| 215 | S | 96.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 75.9 Ų | 75.9 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | trans | -86.7 | -17.8 | 179 | 67 | 0 | 0 | 0 | 0 | 113.5 | Y204 V212 P213 R217 T231 | Y204-S215 PolarHBondContact OH-N 3.07Å; Y204-S215 VanDerWaalsContact OH-N 3.12Å; V212-S215 WeakPolarHBondContact O-CB 3.44Å; V212-S215 PolarHBondContact O-N 3.46Å; V212-S215 PolarHBondContact O-OG 2.81Å; P213-S215 PolarHBondContact O-N 3.49Å; P213-S215 VanDerWaalsContact O-N 3.17Å; S215-R217 PolarHBondContact O-N 3.46Å; S215-T231 PolarHBondContact OG-N 3.13Å; S215-T231 PolarHBondContact OG-O 3.29Å | ||
| 216 | S | 97.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 72 Ų | 72 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | trans | -69.6 | 129.7 | -177.4 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | W200 Y204 Y228 S229 | W200-S216 PolarHBondContact NE1-OG 3.48Å; Y204-S216 VanDerWaalsContact CE2-CB 3.46Å; Y204-S216 PolarHBondContact OH-N 3.01Å; S216-Y228 WeakPolarHBondContact OG-CD1 3.09Å; S216-S229 WeakPolarHBondContact CA-O 3.43Å; S216-S229 PolarHBondContact OG-O 2.85Å | ||
| 217 | R | 97.3 | Very high | 96.4 | Very high | 161 Ų | 161 | 67.5 Ų | 67.5 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134 | 176.2 | -57.5 | 179.5 | 78.7 | -171.8 | 4.2 | 110.6 | S215 L219 Y228 S229 | S215-R217 PolarHBondContact O-N 3.46Å; R217-L219 PolarHBondContact O-N 3.29Å; R217-Y228 CarbonylContact O-C 3.5Å; R217-Y228 WeakPolarHBondContact O-CA 3.38Å; R217-S229 PolarHBondContact N-O 3Å; R217-S229 VanDerWaalsContact N-O 3.11Å; R217-S229 PolarHBondContact O-N 2.95Å |
| 218 | L | 97.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.5 | 171 | -179.6 | 64.1 | 0 | 0 | 0 | 109.1 | Y220 Y228 | L218-Y220 WeakPolarHBondContact CD1-O 3.41Å; L218-Y228 HydrophobicContact CB-CD1 4.02Å; L218-Y228 HydrophobicContact CB-CE1 3.64Å; L218-Y228 HydrophobicContact CD1-CD1 4.45Å; L218-Y228 HydrophobicContact CD1-CD2 4.08Å; L218-Y228 HydrophobicContact CD1-CE1 4.09Å; L218-Y228 HydrophobicContact CD1-CE2 3.68Å; L218-Y228 HydrophobicContact CD1-CG 4.45Å; L218-Y228 HydrophobicContact CG-CE1 4.4Å |
| 219 | L | 97 | Very high | 96.5 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.209 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -39.8 | 179.6 | -56.1 | -173.6 | 0 | 0 | 0 | 112.1 | V173 D177 L189 R217 L227 | V173-L219 HydrophobicContact CG1-CD1 4.16Å; D177-L219 HydrophobicContact CB-CD1 4.01Å; D177-L219 HydrophobicContact CB-CD2 4.02Å; L189-L219 HydrophobicContact CD2-CD1 3.73Å; R217-L219 PolarHBondContact O-N 3.29Å; L219-L227 PolarHBondContact N-O 2.98Å |
| 220 | Y | 96.5 | Very high | 96.7 | Very high | 108 Ų | 108 | 60.9 Ų | 60.9 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 151.8 | -176.6 | -172.4 | -90.8 | 0 | 0 | 0 | 110.6 | L164 I172 L218 D222 G226 L227 | L164-Y220 HydrophobicContact CD1-CD1 4.2Å; L164-Y220 HydrophobicContact CD2-CD1 3.86Å; L164-Y220 HydrophobicContact CD2-CE1 4.45Å; L164-Y220 HydrophobicContact CG-CD1 4.36Å; I172-Y220 HydrophobicContact CD1-CD1 4.26Å; I172-Y220 HydrophobicContact CD1-CG 4.41Å; I172-Y220 HydrophobicContact CG2-CD2 4.14Å; I172-Y220 HydrophobicContact CG2-CG 3.81Å; L218-Y220 WeakPolarHBondContact CD1-O 3.41Å; Y220-D222 HydrophobicContact CE1-CB 4.31Å; Y220-G226 WeakPolarHBondContact O-CA 3.26Å; Y220-L227 PolarHBondContact O-N 3.44Å |
| 221 | E | 95.1 | Very high | 96.8 | Very high | 65 Ų | 65 | 58 Ų | 58 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.5 | 177.8 | 178.1 | 172 | 163.7 | 0 | 0 | 109.1 | R194 Y197 N225 | R194-E221 IonicContact CZ-OE1 2.72Å; R194-E221 IonicContact NE-OE1 3.08Å; R194-E221 PolarHBondContact NE-OE1 3.47Å; R194-E221 IonicContact NH2-OE1 2.72Å; R194-E221 PolarHBondContact NH2-OE1 3.46Å; Y197-E221 WeakPolarHBondContact OH-CG 3.17Å; E221-N225 WeakPolarHBondContact CA-O 3.47Å |
| 222 | D | 93.2 | Very high | 96.8 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | trans | -97.7 | -171.1 | 166.6 | 72.2 | 25.8 | 0 | 0 | 0 | 110 | L164 Y220 D224 N225 | L164-D222 HydrophobicContact CD1-CB 4.24Å; L164-D222 HydrophobicContact CG-CB 4.33Å; L164-D222 VanDerWaalsContact CG-OD2 3.31Å; L164-D222 WeakPolarHBondContact CG-OD2 3.43Å; L164-D222 PolarHBondContact N-OD2 2.93Å; Y220-D222 HydrophobicContact CE1-CB 4.31Å; D222-D224 PolarHBondContact O-N 2.9Å; D222-D224 PolarHBondContact OD1-N 2.92Å; D222-N225 PolarHBondContact N-O 3.4Å; D222-N225 PolarHBondContact OD1-N 2.99Å | ||
| 223 | N | 92.9 | Very high | 96.8 | Very high | 143 Ų | 143 | 59.1 Ų | 59.1 | 77% | 0.765 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -62.1 | -27.9 | -177 | -69.3 | -23.7 | 0 | 0 | 0 | 113.4 | ||
| 224 | D | 94.7 | Very high | 96.7 | Very high | 113 Ų | 113 | 60.9 Ų | 60.9 | 60% | 0.604 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -118.9 | -24.8 | -167.3 | -60.5 | -53.6 | 0 | 0 | 0 | 113.1 | R194 D222 | R194-D224 WeakPolarHBondContact CB-O 3.45Å; R194-D224 PolarHBondContact N-O 3.49Å; D222-D224 PolarHBondContact O-N 2.9Å; D222-D224 PolarHBondContact OD1-N 2.92Å |
| 225 | N | 97.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153 | -168.4 | -51 | -82 | 0 | 0 | 0 | 113.2 | L164 V191 V192 Y197 E221 D222 | L164-N225 HydrophobicContact CD1-CB 4.14Å; L164-N225 WeakPolarHBondContact CD1-O 3.34Å; V191-N225 HydrophobicContact CG1-CB 3.57Å; V192-N225 CarbonylContact O-C 3.55Å; V192-N225 WeakPolarHBondContact O-CA 3Å; Y197-N225 VanDerWaalsContact OH-C 3.28Å; E221-N225 WeakPolarHBondContact CA-O 3.47Å; D222-N225 PolarHBondContact N-O 3.4Å; D222-N225 PolarHBondContact OD1-N 2.99Å |
| 226 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 138.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | V191 V192 Y197 Y220 | V191-G226 WeakPolarHBondContact CA-O 3.48Å; V192-G226 PolarHBondContact N-O 3.31Å; V192-G226 PolarHBondContact O-N 3.12Å; Y197-G226 WeakPolarHBondContact OH-CA 3.3Å; Y197-G226 PolarHBondContact OH-N 3.36Å; Y220-G226 WeakPolarHBondContact O-CA 3.26Å |
| 227 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113.9 | 171 | -173.3 | 72.3 | 0 | 0 | 0 | 109 | L164 L169 I172 V173 L189 V191 L219 Y220 | L164-L227 HydrophobicContact CD1-CB 4.03Å; L164-L227 HydrophobicContact CD2-CB 4.07Å; L164-L227 HydrophobicContact CD2-CD2 4.37Å; L169-L227 HydrophobicContact CD1-CD1 4.17Å; L169-L227 HydrophobicContact CD1-CD2 4.35Å; L169-L227 HydrophobicContact CD2-CD1 4.45Å; L169-L227 HydrophobicContact CD2-CD2 4.01Å; I172-L227 HydrophobicContact CG2-CD2 3.97Å; V173-L227 HydrophobicContact CG1-CD2 4.17Å; L189-L227 HydrophobicContact CB-CD1 4.09Å; V191-L227 HydrophobicContact CG2-CD1 3.78Å; L219-L227 PolarHBondContact N-O 2.98Å; Y220-L227 PolarHBondContact O-N 3.44Å |
| 228 | Y | 98.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 57 Ų | 57 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143 | 177.6 | -69.7 | -98.9 | 0 | 0 | 0 | 111 | L189 V190 V192 Y197 W200 S216 R217 L218 | L189-Y228 CarbonylContact C-O 3.59Å; L189-Y228 WeakPolarHBondContact CA-O 3.17Å; V190-Y228 PolarHBondContact N-O 3.47Å; V190-Y228 PolarHBondContact O-N 2.83Å; V192-Y228 HydrophobicContact CB-CD2 4Å; V192-Y228 HydrophobicContact CB-CE2 3.96Å; V192-Y228 HydrophobicContact CG2-CD2 3.66Å; V192-Y228 HydrophobicContact CG2-CE2 4.06Å; Y197-Y228 HydrophobicContact CD1-CE2 4.14Å; Y197-Y228 AromaticContact CE1-CE2 3.91Å; Y197-Y228 HydrophobicContact CE1-CE2 3.91Å; W200-Y228 AromaticContact CD1-CD1 3.93Å; W200-Y228 AromaticContact CD1-CE1 3.85Å; W200-Y228 AromaticContact CD1-CZ 3.99Å; W200-Y228 HydrophobicContact CZ2-CG 4.46Å; W200-Y228 AromaticContact NE1-CD1 3.38Å; W200-Y228 AromaticContact NE1-CD2 4Å; W200-Y228 AromaticContact NE1-CE1 3.79Å; W200-Y228 AromaticContact NE1-CG 3.5Å; S216-Y228 WeakPolarHBondContact OG-CD1 3.09Å; R217-Y228 CarbonylContact O-C 3.5Å; R217-Y228 WeakPolarHBondContact O-CA 3.38Å; L218-Y228 HydrophobicContact CB-CD1 4.02Å; L218-Y228 HydrophobicContact CB-CE1 3.64Å; L218-Y228 HydrophobicContact CD1-CD1 4.45Å; L218-Y228 HydrophobicContact CD1-CD2 4.08Å; L218-Y228 HydrophobicContact CD1-CE1 4.09Å; L218-Y228 HydrophobicContact CD1-CE2 3.68Å; L218-Y228 HydrophobicContact CD1-CG 4.45Å; L218-Y228 HydrophobicContact CG-CE1 4.4Å |
| 229 | S | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 149.2 | 159.2 | 56.7 | 0 | 0 | 0 | 0 | 110.3 | V188 S216 R217 | V188-S229 CarbonylContact O-C 3.58Å; V188-S229 WeakPolarHBondContact O-CA 3.47Å; S216-S229 WeakPolarHBondContact CA-O 3.43Å; S216-S229 PolarHBondContact OG-O 2.85Å; R217-S229 PolarHBondContact N-O 3Å; R217-S229 VanDerWaalsContact N-O 3.11Å; R217-S229 PolarHBondContact O-N 2.95Å |
| 230 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 133.9 | 169.8 | -178.9 | 0 | 0 | 0 | 0 | 109 | T187 V188 V190 W200 Y204 V211 | T187-V230 CarbonylContact C-O 3.37Å; T187-V230 VanDerWaalsContact CA-O 3.31Å; T187-V230 WeakPolarHBondContact CA-O 3.26Å; V188-V230 HydrophobicContact CG2-CB 4.14Å; V188-V230 PolarHBondContact N-O 3.14Å; V188-V230 PolarHBondContact O-N 3.36Å; V190-V230 HydrophobicContact CG2-CG2 4.4Å; W200-V230 HydrophobicContact CH2-CG2 3.67Å; W200-V230 HydrophobicContact CZ2-CG2 3.37Å; Y204-V230 HydrophobicContact CD2-CG1 3.9Å; Y204-V230 HydrophobicContact CD2-CG2 4.07Å; Y204-V230 HydrophobicContact CE2-CG1 4.14Å; V211-V230 HydrophobicContact CG1-CG1 3.92Å |
| 231 | T | 97.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.5 | 173.7 | -51.8 | 0 | 0 | 0 | 0 | 110 | I179 L185 I186 V212 S215 | I179-T231 HydrophobicContact CG1-CG2 3.82Å; L185-T231 HydrophobicContact CB-CG2 4.27Å; L185-T231 HydrophobicContact CD1-CG2 4.45Å; I186-T231 WeakPolarHBondContact O-CA 3.2Å; V212-T231 HydrophobicContact CB-CG2 4.46Å; V212-T231 VanDerWaalsContact CB-O 3.3Å; V212-T231 WeakPolarHBondContact CB-O 3.47Å; V212-T231 HydrophobicContact CG2-CG2 3.91Å; V212-T231 WeakPolarHBondContact CG2-O 3.46Å; V212-T231 PolarHBondContact N-O 2.8Å; S215-T231 PolarHBondContact OG-N 3.13Å; S215-T231 PolarHBondContact OG-O 3.29Å |
| 232 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 170.4 | 178.9 | 66.8 | 169.6 | 0 | 0 | 0 | 110.5 | I186 V188 M210 V211 V236 V237 Y240 | I186-L232 HydrophobicContact CG2-CD2 4.36Å; I186-L232 HydrophobicContact CG2-CG 4.5Å; I186-L232 PolarHBondContact N-O 3.34Å; I186-L232 PolarHBondContact O-N 3.19Å; I186-L232 VanDerWaalsContact O-O 3.11Å; V188-L232 HydrophobicContact CB-CD2 4.15Å; V188-L232 HydrophobicContact CG1-CD2 3.73Å; V188-L232 HydrophobicContact CG2-CD2 3.46Å; V188-L232 VanDerWaalsContact CG2-CD2 3.46Å; M210-L232 WeakPolarHBondContact O-CA 3.2Å; M210-L232 WeakPolarHBondContact O-CB 3.49Å; V211-L232 HydrophobicContact CG2-CB 4.26Å; L232-V236 HydrophobicContact CB-CG2 4.42Å; L232-V236 HydrophobicContact CD1-CG2 4.05Å; L232-V236 HydrophobicContact CG-CG2 4.49Å; L232-V237 HydrophobicContact CD1-CG2 4.41Å; L232-V237 HydrophobicContact CG-CG2 4.46Å; L232-Y240 HydrophobicContact CD1-CD1 3.91Å; L232-Y240 HydrophobicContact CD1-CD2 3.91Å; L232-Y240 HydrophobicContact CD1-CG 3.52Å |
| 233 | F | 97.7 | Very high | 97.2 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 140.1 | 174.9 | -78.7 | -118.5 | 0 | 0 | 0 | 110.8 | Y184 L185 M210 K235 V236 | Y184-F233 CarbonylContact O-C 3.57Å; Y184-F233 VanDerWaalsContact O-CA 3.29Å; Y184-F233 WeakPolarHBondContact O-CA 3.44Å; L185-F233 HydrophobicContact CD2-CD2 3.53Å; L185-F233 HydrophobicContact CD2-CE2 3.5Å; L185-F233 HydrophobicContact CD2-CG 4.11Å; L185-F233 HydrophobicContact CD2-CZ 4.06Å; M210-F233 HydrophobicContact CB-CB 3.7Å; M210-F233 HydrophobicContact CB-CD2 3.85Å; M210-F233 HydrophobicContact CB-CG 3.87Å; M210-F233 WeakPolarHBondContact O-CD2 3.19Å; M210-F233 PolarHBondContact O-N 3.48Å; M210-F233 HydrophobicContact SD-CB 4.1Å; M210-F233 HydrophobicContact SD-CD1 4.32Å; M210-F233 HydrophobicContact SD-CG 4.23Å; F233-K235 PolarHBondContact O-N 3.35Å; F233-K235 VanDerWaalsContact O-N 3.11Å; F233-V236 HydrophobicContact CB-CG2 4.27Å; F233-V236 WeakPolarHBondContact O-CG2 3.47Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-V236 VanDerWaalsContact O-N 3.12Å |
| 234 | R | 95.6 | Very high | 97.4 | Very high | 120 Ų | 120 | 50 Ų | 50 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -52.7 | -36.6 | 179.2 | -72.3 | 177.6 | -174.4 | -85.8 | 1.1 | 113 | S182 E183 Y184 L185 I186 V236 V237 | S182-R234 PolarHBondContact O-NE 3.43Å; S182-R234 VanDerWaalsContact O-NE 3.09Å; S182-R234 PolarHBondContact O-NH2 3.25Å; E183-R234 VanDerWaalsContact O-CD 3.3Å; E183-R234 WeakPolarHBondContact O-CD 3.1Å; E183-R234 PolarHBondContact O-NE 3.12Å; Y184-R234 PolarHBondContact O-N 2.91Å; L185-R234 PolarHBondContact O-NE 3.11Å; I186-R234 HydrophobicContact CB-CG 3.79Å; I186-R234 HydrophobicContact CG2-CB 4.46Å; I186-R234 HydrophobicContact CG2-CG 3.84Å; R234-V236 PolarHBondContact O-N 3.28Å; R234-V237 WeakPolarHBondContact O-CG2 3.38Å; R234-V237 PolarHBondContact O-N 2.83Å |
| 235 | K | 96.6 | Very high | 97.6 | Very high | 188 Ų | 188 | 54.6 Ų | 54.6 | 82% | 0.817 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -63.2 | -23.4 | -176.9 | -168.4 | 178 | 178.6 | -176.5 | 0 | 114.1 | F233 | F233-K235 PolarHBondContact O-N 3.35Å; F233-K235 VanDerWaalsContact O-N 3.11Å |
| 236 | V | 97.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -108.3 | 9.5 | -174.8 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | A208 M210 L232 F233 R234 D238 E239 Y240 | A208-V236 HydrophobicContact CB-CB 4.14Å; A208-V236 HydrophobicContact CB-CG2 4.34Å; M210-V236 HydrophobicContact CB-CG1 3.97Å; M210-V236 HydrophobicContact CB-CG2 3.78Å; M210-V236 HydrophobicContact CG-CG1 4.11Å; M210-V236 HydrophobicContact SD-CG1 4.05Å; L232-V236 HydrophobicContact CB-CG2 4.42Å; L232-V236 HydrophobicContact CD1-CG2 4.05Å; L232-V236 HydrophobicContact CG-CG2 4.49Å; F233-V236 HydrophobicContact CB-CG2 4.27Å; F233-V236 WeakPolarHBondContact O-CG2 3.47Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-V236 VanDerWaalsContact O-N 3.12Å; R234-V236 PolarHBondContact O-N 3.28Å; V236-D238 PolarHBondContact O-N 2.89Å; V236-E239 PolarHBondContact O-N 3.1Å; V236-Y240 WeakPolarHBondContact O-CB 3.27Å; V236-Y240 PolarHBondContact O-N 3.06Å |
| 237 | V | 96.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | -176.3 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | I186 V188 L232 R234 Y240 R241 | I186-V237 HydrophobicContact CG2-CG2 3.53Å; V188-V237 HydrophobicContact CG1-CG1 4.25Å; V188-V237 HydrophobicContact CG1-CG2 4.39Å; L232-V237 HydrophobicContact CD1-CG2 4.41Å; L232-V237 HydrophobicContact CG-CG2 4.46Å; R234-V237 WeakPolarHBondContact O-CG2 3.38Å; R234-V237 PolarHBondContact O-N 2.83Å; V237-Y240 PolarHBondContact O-N 2.94Å; V237-R241 VanDerWaalsContact O-CB 3.3Å; V237-R241 WeakPolarHBondContact O-CB 3.45Å; V237-R241 PolarHBondContact O-N 2.72Å |
| 238 | D | 96.9 | Very high | 97.5 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 66% | 0.658 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.6 | -39.8 | -178.1 | -66.1 | -36.9 | 0 | 0 | 0 | 112.4 | V236 R241 T242 | V236-D238 PolarHBondContact O-N 2.89Å; D238-R241 PolarHBondContact O-N 2.81Å; D238-T242 PolarHBondContact O-N 2.93Å; D238-T242 PolarHBondContact O-OG1 3.02Å |
| 239 | E | 97.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 68.4 Ų | 68.4 | 42% | 0.421 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -49.9 | 171.4 | -178.7 | -173 | 159.5 | 0 | 0 | 110.1 | A208 V236 R241 T242 H243 | A208-E239 HydrophobicContact CB-CG 4.49Å; V236-E239 PolarHBondContact O-N 3.1Å; E239-R241 VanDerWaalsContact C-N 3.33Å; E239-R241 PolarHBondContact O-N 3.36Å; E239-T242 WeakPolarHBondContact O-CB 3.3Å; E239-T242 PolarHBondContact O-N 3.43Å; E239-T242 VanDerWaalsContact O-N 3.09Å; E239-H243 VanDerWaalsContact CG-CE1 3.44Å; E239-H243 WeakPolarHBondContact CG-CE1 3.19Å; E239-H243 PolarHBondContact O-N 2.91Å; E239-H243 PolarHBondContact O-ND1 2.78Å; E239-H243 IonicContact OE1-CE1 3.04Å |
| 240 | Y | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 178.6 | -169.2 | -95 | 0 | 0 | 0 | 112.2 | V188 V190 W200 Y204 L207 A208 V211 L232 V236 V237 T242 C244 V251 | V188-Y240 HydrophobicContact CG2-CD1 4.36Å; V188-Y240 HydrophobicContact CG2-CE1 4.2Å; V190-Y240 HydrophobicContact CG2-CE1 4.23Å; W200-Y240 VanDerWaalsContact CH2-OH 3.25Å; W200-Y240 WeakPolarHBondContact CH2-OH 3.47Å; Y204-Y240 WeakPolarHBondContact O-CE2 3.43Å; L207-Y240 HydrophobicContact CB-CD2 3.78Å; L207-Y240 HydrophobicContact CB-CE2 3.59Å; L207-Y240 HydrophobicContact CD1-CE2 4.1Å; L207-Y240 HydrophobicContact CG-CE2 4.4Å; A208-Y240 HydrophobicContact CB-CD2 3.99Å; V211-Y240 HydrophobicContact CG1-CE2 4.36Å; V211-Y240 HydrophobicContact CG2-CD2 3.57Å; V211-Y240 HydrophobicContact CG2-CE2 3.51Å; L232-Y240 HydrophobicContact CD1-CD1 3.91Å; L232-Y240 HydrophobicContact CD1-CD2 3.91Å; L232-Y240 HydrophobicContact CD1-CG 3.52Å; V236-Y240 WeakPolarHBondContact O-CB 3.27Å; V236-Y240 PolarHBondContact O-N 3.06Å; V237-Y240 PolarHBondContact O-N 2.94Å; Y240-T242 VanDerWaalsContact C-N 3.31Å; Y240-T242 PolarHBondContact O-N 2.69Å; Y240-C244 WeakPolarHBondContact CE1-SG 3.37Å; Y240-C244 VanDerWaalsContact O-CB 3.24Å; Y240-C244 WeakPolarHBondContact O-CB 3.38Å; Y240-C244 PolarHBondContact O-N 2.87Å; Y240-C244 PolarHBondContact O-SG 3.04Å; Y240-V251 HydrophobicContact CD1-CG2 4.42Å |
| 241 | R | 98 | Very high | 97.5 | Very high | 90 Ų | 90 | 72.6 Ų | 72.6 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.1 | 178.9 | -178.5 | -71.5 | -104.8 | 7 | 111.7 | V237 D238 E239 R245 V251 | V237-R241 VanDerWaalsContact O-CB 3.3Å; V237-R241 WeakPolarHBondContact O-CB 3.45Å; V237-R241 PolarHBondContact O-N 2.72Å; D238-R241 PolarHBondContact O-N 2.81Å; E239-R241 VanDerWaalsContact C-N 3.33Å; E239-R241 PolarHBondContact O-N 3.36Å; R241-R245 PolarHBondContact O-N 2.73Å; R241-R245 VanDerWaalsContact O-N 3.11Å; R241-V251 HydrophobicContact CB-CB 4.4Å; R241-V251 HydrophobicContact CB-CG2 4.16Å; R241-V251 HydrophobicContact CG-CB 4.14Å; R241-V251 HydrophobicContact CG-CG2 4.29Å; R241-V251 PolarHBondContact NH1-O 2.93Å; R241-V251 VanDerWaalsContact NH1-O 3.1Å |
| 242 | T | 98 | Very high | 97.4 | Very high | 76 Ų | 76 | 74.1 Ų | 74.1 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.4 | -53 | 178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | D238 E239 Y240 C244 R245 E246 | D238-T242 PolarHBondContact O-N 2.93Å; D238-T242 PolarHBondContact O-OG1 3.02Å; E239-T242 WeakPolarHBondContact O-CB 3.3Å; E239-T242 PolarHBondContact O-N 3.43Å; E239-T242 VanDerWaalsContact O-N 3.09Å; Y240-T242 VanDerWaalsContact C-N 3.31Å; Y240-T242 PolarHBondContact O-N 2.69Å; T242-C244 VanDerWaalsContact C-N 3.31Å; T242-C244 PolarHBondContact O-N 2.77Å; T242-R245 WeakPolarHBondContact O-CB 3.33Å; T242-R245 PolarHBondContact O-N 3.32Å; T242-E246 PolarHBondContact O-N 2.89Å; T242-E246 VanDerWaalsContact O-N 3.08Å |
| 243 | H | 98.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 80.6 Ų | 80.6 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.7 | -32.4 | 178.6 | -62.2 | 135.7 | 0 | 0 | 0 | 112.9 | L207 E239 E246 N247 | L207-H243 HydrophobicContact CB-CB 4.23Å; L207-H243 HydrophobicContact CD2-CB 4.14Å; L207-H243 PolarHBondContact O-ND1 2.81Å; E239-H243 VanDerWaalsContact CG-CE1 3.44Å; E239-H243 WeakPolarHBondContact CG-CE1 3.19Å; E239-H243 PolarHBondContact O-N 2.91Å; E239-H243 PolarHBondContact O-ND1 2.78Å; E239-H243 IonicContact OE1-CE1 3.04Å; H243-E246 IonicContact CD2-OE2 2.74Å; H243-E246 PolarHBondContact O-N 2.81Å; H243-N247 PolarHBondContact O-N 3.44Å; H243-N247 PolarHBondContact O-ND2 2.96Å |
| 244 | C | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 169.1 | -82.4 | 0 | 0 | 0 | 0 | 110.9 | Y240 T242 E246 N247 K248 F249 V251 | Y240-C244 WeakPolarHBondContact CE1-SG 3.37Å; Y240-C244 VanDerWaalsContact O-CB 3.24Å; Y240-C244 WeakPolarHBondContact O-CB 3.38Å; Y240-C244 PolarHBondContact O-N 2.87Å; Y240-C244 PolarHBondContact O-SG 3.04Å; T242-C244 VanDerWaalsContact C-N 3.31Å; T242-C244 PolarHBondContact O-N 2.77Å; C244-E246 VanDerWaalsContact C-N 3.34Å; C244-E246 PolarHBondContact O-N 2.9Å; C244-N247 CarbonylContact O-C 3.41Å; C244-N247 WeakPolarHBondContact O-CA 3.36Å; C244-N247 PolarHBondContact O-N 3.43Å; C244-K248 PolarHBondContact O-N 3.32Å; C244-K248 VanDerWaalsContact O-N 3.16Å; C244-F249 CarbonylContact C-O 3.56Å; C244-F249 HydrophobicContact CB-CB 3.95Å; C244-F249 WeakPolarHBondContact O-CA 3.43Å; C244-F249 WeakPolarHBondContact O-CB 3.11Å; C244-F249 PolarHBondContact O-N 2.72Å; C244-F249 VanDerWaalsContact O-O 3.08Å; C244-V251 HydrophobicContact CB-CG2 3.78Å |
| 245 | R | 97.2 | Very high | 96.7 | Very high | 208 Ų | 208 | 78.1 Ų | 78.1 | 79% | 0.785 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | -178 | -173.7 | -179.2 | 177.6 | -172.8 | -1.1 | 112.3 | R241 T242 N247 K248 F249 | R241-R245 PolarHBondContact O-N 2.73Å; R241-R245 VanDerWaalsContact O-N 3.11Å; T242-R245 WeakPolarHBondContact O-CB 3.33Å; T242-R245 PolarHBondContact O-N 3.32Å; R245-N247 PolarHBondContact O-N 3.25Å; R245-K248 PolarHBondContact O-N 3.46Å; R245-F249 WeakPolarHBondContact CA-O 3.28Å; R245-F249 PolarHBondContact N-O 3.28Å |
| 246 | E | 97.5 | Very high | 96.5 | Very high | 133 Ų | 133 | 70.7 Ų | 70.7 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.7 | -32.1 | 175.3 | -68.9 | 173.6 | 177.2 | 0 | 0 | 112.4 | T242 H243 C244 K248 | T242-E246 PolarHBondContact O-N 2.89Å; T242-E246 VanDerWaalsContact O-N 3.08Å; H243-E246 IonicContact CD2-OE2 2.74Å; H243-E246 PolarHBondContact O-N 2.81Å; C244-E246 VanDerWaalsContact C-N 3.34Å; C244-E246 PolarHBondContact O-N 2.9Å; E246-K248 VanDerWaalsContact C-N 3.32Å |
| 247 | N | 97.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 73.2 Ų | 73.2 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 12.6 | 175.4 | -71.5 | -88.7 | 0 | 0 | 0 | 113.5 | K203 H243 C244 R245 F249 | K203-N247 WeakPolarHBondContact CD-OD1 3.42Å; K203-N247 PolarHBondContact NZ-OD1 3.47Å; H243-N247 PolarHBondContact O-N 3.44Å; H243-N247 PolarHBondContact O-ND2 2.96Å; C244-N247 CarbonylContact O-C 3.41Å; C244-N247 WeakPolarHBondContact O-CA 3.36Å; C244-N247 PolarHBondContact O-N 3.43Å; R245-N247 PolarHBondContact O-N 3.25Å; N247-F249 HydrophobicContact CB-CD2 3.65Å; N247-F249 HydrophobicContact CB-CE2 3.45Å; N247-F249 VanDerWaalsContact CB-CE2 3.45Å; N247-F249 HydrophobicContact CB-CG 4.38Å; N247-F249 HydrophobicContact CB-CZ 4.04Å; N247-F249 PolarHBondContact O-N 3.38Å |
| 248 | K | 97.3 | Very high | 95.8 | Very high | 157 Ų | 157 | 76.9 Ų | 76.9 | 68% | 0.683 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 23.3 | -178.6 | -51.1 | 177.4 | -179.7 | 177.1 | 0 | 114.4 | L196 C244 R245 E246 | L196-K248 HydrophobicContact CD1-CB 4Å; C244-K248 PolarHBondContact O-N 3.32Å; C244-K248 VanDerWaalsContact O-N 3.16Å; R245-K248 PolarHBondContact O-N 3.46Å; E246-K248 VanDerWaalsContact C-N 3.32Å |
| 249 | F | 98.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | trans | -94.7 | 142.8 | 168.3 | -45.9 | -42.9 | 0 | 0 | 0 | 109.5 | V190 V192 L196 D199 W200 L207 C244 R245 N247 | V190-F249 HydrophobicContact CG1-CB 3.81Å; V192-F249 HydrophobicContact CB-CD1 4.45Å; V192-F249 HydrophobicContact CG1-CD1 3.88Å; V192-F249 HydrophobicContact CG1-CE1 3.89Å; V192-F249 HydrophobicContact CG2-CD1 4.24Å; L196-F249 HydrophobicContact CB-CE1 3.92Å; L196-F249 HydrophobicContact CD1-CE1 4.19Å; D199-F249 HydrophobicContact CB-CZ 4.46Å; W200-F249 HydrophobicContact CB-CE1 4.21Å; W200-F249 HydrophobicContact CB-CZ 4.1Å; W200-F249 HydrophobicContact CE3-CD1 4.26Å; W200-F249 AromaticContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CD2 3.55Å; W200-F249 HydrophobicContact CE3-CE1 4.36Å; W200-F249 AromaticContact CE3-CE2 3.67Å; W200-F249 HydrophobicContact CE3-CE2 3.67Å; W200-F249 AromaticContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CG 3.86Å; W200-F249 HydrophobicContact CE3-CZ 4.09Å; W200-F249 HydrophobicContact CZ3-CB 4.37Å; W200-F249 AromaticContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CD2 3.77Å; W200-F249 HydrophobicContact CZ3-CE2 4.27Å; W200-F249 HydrophobicContact CZ3-CG 4.12Å; L207-F249 HydrophobicContact CD1-CD2 4.11Å; L207-F249 HydrophobicContact CD1-CE2 4.36Å; C244-F249 CarbonylContact C-O 3.56Å; C244-F249 HydrophobicContact CB-CB 3.95Å; C244-F249 WeakPolarHBondContact O-CA 3.43Å; C244-F249 WeakPolarHBondContact O-CB 3.11Å; C244-F249 PolarHBondContact O-N 2.72Å; C244-F249 VanDerWaalsContact O-O 3.08Å; R245-F249 WeakPolarHBondContact CA-O 3.28Å; R245-F249 PolarHBondContact N-O 3.28Å; N247-F249 HydrophobicContact CB-CD2 3.65Å; N247-F249 HydrophobicContact CB-CE2 3.45Å; N247-F249 VanDerWaalsContact CB-CE2 3.45Å; N247-F249 HydrophobicContact CB-CG 4.38Å; N247-F249 HydrophobicContact CB-CZ 4.04Å; N247-F249 PolarHBondContact O-N 3.38Å | ||
| 250 | I | 97.7 | Very high | 95.1 | Very high | 82 Ų | 82 | 77.6 Ų | 77.6 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.5 | -174.7 | -65.3 | 172.3 | 0 | 0 | 0 | 109.5 | L165 V190 V191 R252 | L165-I250 HydrophobicContact CD2-CB 4.08Å; L165-I250 HydrophobicContact CD2-CD1 3.46Å; L165-I250 VanDerWaalsContact CD2-CD1 3.46Å; L165-I250 HydrophobicContact CD2-CG1 4.31Å; L165-I250 HydrophobicContact CD2-CG2 4.16Å; V190-I250 CarbonylContact C-O 3.58Å; V190-I250 WeakPolarHBondContact CA-O 3.06Å; V191-I250 HydrophobicContact CB-CB 4.44Å; V191-I250 PolarHBondContact N-O 3.22Å; V191-I250 PolarHBondContact O-N 2.92Å; I250-R252 PolarHBondContact O-N 2.93Å |
| 251 | V | 97.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 78.9 Ų | 78.9 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.1 | 172.2 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | V188 L189 V190 Y240 R241 C244 | V188-V251 HydrophobicContact CB-CG1 4.07Å; V188-V251 HydrophobicContact CG2-CG1 4.48Å; L189-V251 CarbonylContact O-C 3.58Å; L189-V251 WeakPolarHBondContact O-CA 3.08Å; V190-V251 HydrophobicContact CG2-CG2 4.13Å; Y240-V251 HydrophobicContact CD1-CG2 4.42Å; R241-V251 HydrophobicContact CB-CB 4.4Å; R241-V251 HydrophobicContact CB-CG2 4.16Å; R241-V251 HydrophobicContact CG-CB 4.14Å; R241-V251 HydrophobicContact CG-CG2 4.29Å; R241-V251 PolarHBondContact NH1-O 2.93Å; R241-V251 VanDerWaalsContact NH1-O 3.1Å; C244-V251 HydrophobicContact CB-CG2 3.78Å |
| 252 | R | 96.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 76.8 Ų | 76.8 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135 | 177 | -69.6 | -76.9 | -74.7 | 147.5 | 3.3 | 109.3 | L164 L165 T166 K167 L169 L189 V191 I250 F254 | L164-R252 PolarHBondContact O-NE 2.97Å; L164-R252 VanDerWaalsContact O-NE 3.14Å; L165-R252 PolarHBondContact O-NH1 3.36Å; T166-R252 PolarHBondContact O-NH2 3.02Å; K167-R252 PolarHBondContact O-NH2 2.88Å; L169-R252 HydrophobicContact CD1-CB 3.97Å; L169-R252 HydrophobicContact CD1-CG 4.08Å; L189-R252 HydrophobicContact CB-CB 4.3Å; L189-R252 PolarHBondContact O-N 2.81Å; V191-R252 HydrophobicContact CG2-CG 3.56Å; I250-R252 PolarHBondContact O-N 2.93Å; R252-F254 PolarHBondContact O-N 3.38Å; R252-F254 VanDerWaalsContact O-N 3.14Å |
| 253 | D | 92.1 | Very high | 93.8 | Very high | 136 Ų | 136 | 77.7 Ų | 77.7 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | trans | -77.1 | 97.4 | 171.2 | -167.2 | 10.6 | 0 | 0 | 0 | 108.8 | ||||
| 254 | F | 93.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | trans | -150.8 | 127.5 | -176.7 | -174 | -86.2 | 0 | 0 | 0 | 109.8 | L169 V173 F178 L189 R252 Y256 L261 | L169-F254 HydrophobicContact CB-CD2 3.97Å; L169-F254 HydrophobicContact CB-CE2 3.95Å; L169-F254 HydrophobicContact CD1-CB 4.38Å; L169-F254 HydrophobicContact CD1-CD2 4.35Å; L169-F254 HydrophobicContact CD1-CG 4.42Å; V173-F254 HydrophobicContact CG2-CE1 3.72Å; V173-F254 HydrophobicContact CG2-CZ 3.65Å; F178-F254 HydrophobicContact CE1-CD1 4.08Å; F178-F254 HydrophobicContact CE1-CE1 4.19Å; F178-F254 HydrophobicContact CE2-CE1 4.44Å; F178-F254 AromaticContact CZ-CD1 3.95Å; F178-F254 HydrophobicContact CZ-CD1 3.95Å; F178-F254 AromaticContact CZ-CE1 3.69Å; F178-F254 HydrophobicContact CZ-CE1 3.69Å; L189-F254 HydrophobicContact CD1-CB 3.99Å; L189-F254 HydrophobicContact CD1-CD1 3.67Å; L189-F254 HydrophobicContact CD1-CE1 4.38Å; L189-F254 HydrophobicContact CD1-CG 3.89Å; R252-F254 PolarHBondContact O-N 3.38Å; R252-F254 VanDerWaalsContact O-N 3.14Å; F254-Y256 HydrophobicContact CE1-CD2 4.3Å; F254-L261 HydrophobicContact CZ-CD1 4.1Å; F254-L261 HydrophobicContact CZ-CD2 4.47Å | ||
| 255 | V | 90.2 | Very high | 92.8 | Very high | 114 Ų | 114 | 82.7 Ų | 82.7 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | trans | -118.3 | 123.7 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | D257 | V255-D257 PolarHBondContact O-N 3.49Š| ||
| 256 | Y | 92.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 13% | 0.125 | 40% | 0.398 | C | S | . | . | trans | -71.4 | 118.8 | 178.4 | -173.2 | -87.2 | 0 | 0 | 0 | 110.3 | V173 K175 F178 L180 F254 E258 L261 | V173-Y256 HydrophobicContact CG2-CD2 4.04Å; V173-Y256 HydrophobicContact CG2-CE2 4.32Å; K175-Y256 VanDerWaalsContact CA-CZ 3.48Å; K175-Y256 WeakPolarHBondContact CA-OH 3.35Å; K175-Y256 HydrophobicContact CB-CE1 4.08Å; K175-Y256 WeakPolarHBondContact CB-OH 3.23Å; K175-Y256 HydrophobicContact CG-CE1 4.07Å; K175-Y256 PolarHBondContact N-OH 3.31Å; F178-Y256 HydrophobicContact CD2-CD1 4.39Å; F178-Y256 AromaticContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CD2 3.45Å; F178-Y256 VanDerWaalsContact CD2-CD2 3.45Å; F178-Y256 HydrophobicContact CD2-CE2 4.23Å; F178-Y256 AromaticContact CD2-CG 3.54Å; F178-Y256 HydrophobicContact CD2-CG 3.54Å; F178-Y256 AromaticContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CD2 3.24Å; F178-Y256 HydrophobicContact CE2-CE2 4.08Å; F178-Y256 AromaticContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CE2-CG 3.74Å; F178-Y256 HydrophobicContact CG-CD2 4.35Å; F178-Y256 HydrophobicContact CG-CG 4.02Å; F178-Y256 HydrophobicContact CZ-CD2 4.01Å; F178-Y256 HydrophobicContact CZ-CG 4.38Å; L180-Y256 HydrophobicContact CD1-CD1 4.17Å; L180-Y256 HydrophobicContact CD1-CE1 4.31Å; L180-Y256 HydrophobicContact CD2-CD1 3.9Å; F254-Y256 HydrophobicContact CE1-CD2 4.3Å; Y256-E258 HydrophobicContact CE1-CB 4.08Å; Y256-L261 HydrophobicContact CD2-CD2 4.2Å; Y256-L261 HydrophobicContact CE2-CD2 3.82Å | ||
| 257 | D | 91 | Very high | 92.2 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | trans | -135.6 | 108.7 | 172.9 | -178.4 | -36.9 | 0 | 0 | 0 | 108.7 | V255 H259 L260 L261 | V255-D257 PolarHBondContact O-N 3.49Å; D257-H259 PolarHBondContact O-N 2.96Å; D257-H259 WeakPolarHBondContact OD1-CA 3.5Å; D257-H259 WeakPolarHBondContact OD1-CB 3.47Å; D257-H259 PolarHBondContact OD1-N 2.87Å; D257-L260 HydrophobicContact CB-CB 3.98Å; D257-L260 HydrophobicContact CB-CD1 3.86Å; D257-L260 HydrophobicContact CB-CG 4Å; D257-L260 PolarHBondContact O-N 3.24Å; D257-L260 PolarHBondContact OD1-N 3.5Å; D257-L261 WeakPolarHBondContact O-CD1 3.31Å; D257-L261 PolarHBondContact O-N 3.27Å | ||
| 258 | E | 88.4 | Confident | 91.8 | Very high | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.9 | -34.7 | -176.5 | -173.1 | 164.4 | -162 | 0 | 0 | 112.4 | K175 Y256 A262 | K175-E258 IonicContact NZ-OE2 2.74Å; K175-E258 PolarHBondContact NZ-OE2 2.82Å; Y256-E258 HydrophobicContact CE1-CB 4.08Å; E258-A262 VanDerWaalsContact O-CB 3.28Å; E258-A262 WeakPolarHBondContact O-CB 3.33Å; E258-A262 PolarHBondContact O-N 3.48Å |
| 259 | H | 90.4 | Very high | 91.6 | Very high | 125 Ų | 125 | 72 Ų | 72 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -74.8 | -43.7 | -179.6 | -176.9 | -107.4 | 0 | 0 | 0 | 111.3 | D257 A262 Q263 | D257-H259 PolarHBondContact O-N 2.96Å; D257-H259 WeakPolarHBondContact OD1-CA 3.5Å; D257-H259 WeakPolarHBondContact OD1-CB 3.47Å; D257-H259 PolarHBondContact OD1-N 2.87Å; H259-A262 PolarHBondContact O-N 3.46Å; H259-Q263 PolarHBondContact CE1-NE2 3.31Å; H259-Q263 PolarHBondContact ND1-NE2 3.31Å; H259-Q263 PolarHBondContact NE2-NE2 2.91Å; H259-Q263 WeakPolarHBondContact O-CB 3.37Å; H259-Q263 VanDerWaalsContact O-CG 3.32Å; H259-Q263 WeakPolarHBondContact O-CG 3.45Å; H259-Q263 PolarHBondContact O-N 3.46Å |
| 260 | L | 88.3 | Confident | 91.4 | Very high | 103 Ų | 103 | 79.2 Ų | 79.2 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.9 | -67.4 | 177.7 | 0 | 0 | 0 | 112.1 | D257 Q263 G264 | D257-L260 HydrophobicContact CB-CB 3.98Å; D257-L260 HydrophobicContact CB-CD1 3.86Å; D257-L260 HydrophobicContact CB-CG 4Å; D257-L260 PolarHBondContact O-N 3.24Å; D257-L260 PolarHBondContact OD1-N 3.5Å; L260-Q263 PolarHBondContact O-N 3.5Å; L260-G264 PolarHBondContact O-N 3.1Å |
| 261 | L | 88.7 | Confident | 91.2 | Very high | 28 Ų | 28 | 76.1 Ų | 76.1 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.1 | -89.5 | 72.8 | 0 | 0 | 0 | 111.1 | F254 Y256 D257 G264 K265 | F254-L261 HydrophobicContact CZ-CD1 4.1Å; F254-L261 HydrophobicContact CZ-CD2 4.47Å; Y256-L261 HydrophobicContact CD2-CD2 4.2Å; Y256-L261 HydrophobicContact CE2-CD2 3.82Å; D257-L261 WeakPolarHBondContact O-CD1 3.31Å; D257-L261 PolarHBondContact O-N 3.27Å; L261-G264 PolarHBondContact O-N 2.86Å; L261-K265 PolarHBondContact O-N 2.93Å; L261-K265 VanDerWaalsContact O-N 3.11Å |
| 262 | A | 89.3 | Confident | 91 | Very high | 45 Ų | 45 | 77.1 Ų | 77.1 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E258 H259 K265 N266 | E258-A262 VanDerWaalsContact O-CB 3.28Å; E258-A262 WeakPolarHBondContact O-CB 3.33Å; E258-A262 PolarHBondContact O-N 3.48Å; H259-A262 PolarHBondContact O-N 3.46Å; A262-K265 PolarHBondContact O-N 3.06Å; A262-N266 VanDerWaalsContact O-CB 3.3Å; A262-N266 WeakPolarHBondContact O-CB 3.48Å; A262-N266 PolarHBondContact O-N 2.79Å; A262-N266 PolarHBondContact O-ND2 2.86Å |
| 263 | Q | 89.6 | Confident | 91 | Very high | 96 Ų | 96 | 77.3 Ų | 77.3 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 176.1 | -76.5 | -173.4 | -0.4 | 0 | 0 | 112.5 | H259 L260 K265 N266 E267 | H259-Q263 PolarHBondContact CE1-NE2 3.31Å; H259-Q263 PolarHBondContact ND1-NE2 3.31Å; H259-Q263 PolarHBondContact NE2-NE2 2.91Å; H259-Q263 WeakPolarHBondContact O-CB 3.37Å; H259-Q263 VanDerWaalsContact O-CG 3.32Å; H259-Q263 WeakPolarHBondContact O-CG 3.45Å; H259-Q263 PolarHBondContact O-N 3.46Å; L260-Q263 PolarHBondContact O-N 3.5Å; Q263-K265 PolarHBondContact O-N 3Å; Q263-N266 PolarHBondContact O-N 2.96Å; Q263-E267 WeakPolarHBondContact O-CB 3.45Å; Q263-E267 PolarHBondContact O-N 3.11Å |
| 264 | G | 87.2 | Confident | 91.2 | Very high | 43 Ų | 43 | 73.8 Ų | 73.8 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L260 L261 E267 R268 | L260-G264 PolarHBondContact O-N 3.1Å; L261-G264 PolarHBondContact O-N 2.86Å; G264-E267 PolarHBondContact O-N 3.48Å; G264-R268 PolarHBondContact O-N 3.34Å |
| 265 | K | 87.8 | Confident | 91.2 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 175.7 | -173.4 | 175.8 | -179.1 | 177.2 | 0 | 112 | L261 A262 Q263 E267 R268 N269 | L261-K265 PolarHBondContact O-N 2.93Å; L261-K265 VanDerWaalsContact O-N 3.11Å; A262-K265 PolarHBondContact O-N 3.06Å; Q263-K265 PolarHBondContact O-N 3Å; K265-E267 VanDerWaalsContact C-N 3.32Å; K265-E267 PolarHBondContact O-N 2.71Å; K265-R268 PolarHBondContact O-N 3.12Å; K265-N269 WeakPolarHBondContact O-CB 3.05Å; K265-N269 VanDerWaalsContact O-CG 3.23Å; K265-N269 PolarHBondContact O-N 3.02Å; K265-N269 PolarHBondContact O-ND2 2.77Å |
| 266 | N | 91.3 | Very high | 91.3 | Very high | 103 Ų | 103 | 74 Ų | 74 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 177.2 | -73.5 | -18.4 | 0 | 0 | 0 | 111.4 | A262 Q263 N269 R270 | A262-N266 VanDerWaalsContact O-CB 3.3Å; A262-N266 WeakPolarHBondContact O-CB 3.48Å; A262-N266 PolarHBondContact O-N 2.79Å; A262-N266 PolarHBondContact O-ND2 2.86Å; Q263-N266 PolarHBondContact O-N 2.96Å; N266-N269 PolarHBondContact O-N 2.96Å; N266-R270 VanDerWaalsContact O-CB 3.26Å; N266-R270 WeakPolarHBondContact O-CB 3.31Å; N266-R270 PolarHBondContact O-N 2.72Å |
| 267 | E | 90.9 | Very high | 91.4 | Very high | 70 Ų | 70 | 79.2 Ų | 79.2 | 33% | 0.327 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 178.1 | 179.7 | 59.2 | -171.6 | 0 | 0 | 112.1 | Q263 G264 K265 N269 R270 L271 | Q263-E267 WeakPolarHBondContact O-CB 3.45Å; Q263-E267 PolarHBondContact O-N 3.11Å; G264-E267 PolarHBondContact O-N 3.48Å; K265-E267 VanDerWaalsContact C-N 3.32Å; K265-E267 PolarHBondContact O-N 2.71Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 2.91Å; E267-R270 VanDerWaalsContact CD-NH2 3.28Å; E267-R270 WeakPolarHBondContact O-CB 3.32Å; E267-R270 PolarHBondContact O-N 2.92Å; E267-R270 IonicContact OE1-CZ 3.79Å; E267-R270 IonicContact OE1-NE 2.67Å; E267-R270 IonicContact OE1-NH2 3.12Å; E267-R270 PolarHBondContact OE1-NH2 2.98Å; E267-R270 IonicContact OE2-CZ 3.61Å; E267-R270 VanDerWaalsContact OE2-CZ 3.23Å; E267-R270 IonicContact OE2-NE 2.76Å; E267-R270 PolarHBondContact OE2-NE 3.38Å; E267-R270 IonicContact OE2-NH2 2.73Å; E267-R270 PolarHBondContact OE2-NH2 3.24Å; E267-L271 HydrophobicContact CG-CD1 4.26Å; E267-L271 WeakPolarHBondContact O-CG 3.41Å; E267-L271 PolarHBondContact O-N 3.13Å |
| 268 | R | 89.5 | Confident | 91.6 | Very high | 67 Ų | 67 | 79.7 Ų | 79.7 | 25% | 0.253 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 175.1 | -172.8 | -173.9 | 68 | -176.4 | -9 | 111.2 | L153 L156 E171 G264 K265 R270 L271 A272 | L153-R268 HydrophobicContact CD1-CG 4.18Å; L156-R268 HydrophobicContact CD1-CB 4.16Å; L156-R268 HydrophobicContact CD1-CG 4.41Å; E171-R268 IonicContact OE1-CZ 2.76Å; E171-R268 IonicContact OE1-NH1 2.77Å; E171-R268 PolarHBondContact OE1-NH1 3.48Å; E171-R268 IonicContact OE1-NH2 2.71Å; E171-R268 PolarHBondContact OE1-NH2 3.43Å; E171-R268 IonicContact OE2-NH1 3.54Å; G264-R268 PolarHBondContact O-N 3.34Å; K265-R268 PolarHBondContact O-N 3.12Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-R270 PolarHBondContact O-N 3.09Å; R268-L271 PolarHBondContact O-N 3.32Å; R268-A272 WeakPolarHBondContact O-CB 2.97Å; R268-A272 PolarHBondContact O-N 2.99Å |
| 269 | N | 92.6 | Very high | 91.8 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 179.9 | -69.4 | -10.4 | 0 | 0 | 0 | 111.7 | K265 N266 E267 A272 A273 | K265-N269 WeakPolarHBondContact O-CB 3.05Å; K265-N269 VanDerWaalsContact O-CG 3.23Å; K265-N269 PolarHBondContact O-N 3.02Å; K265-N269 PolarHBondContact O-ND2 2.77Å; N266-N269 PolarHBondContact O-N 2.96Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 2.91Å; N269-A272 PolarHBondContact O-N 2.9Å; N269-A273 VanDerWaalsContact O-CB 3.29Å; N269-A273 WeakPolarHBondContact O-CB 3.48Å; N269-A273 PolarHBondContact O-N 2.93Å |
| 270 | R | 94.7 | Very high | 92 | Very high | 152 Ų | 152 | 73.9 Ų | 73.9 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.4 | -48.5 | 175.7 | -173.9 | -176 | 75.1 | 111 | 1.9 | 111.2 | N266 E267 R268 A273 E274 | N266-R270 VanDerWaalsContact O-CB 3.26Å; N266-R270 WeakPolarHBondContact O-CB 3.31Å; N266-R270 PolarHBondContact O-N 2.72Å; E267-R270 VanDerWaalsContact CD-NH2 3.28Å; E267-R270 WeakPolarHBondContact O-CB 3.32Å; E267-R270 PolarHBondContact O-N 2.92Å; E267-R270 IonicContact OE1-CZ 3.79Å; E267-R270 IonicContact OE1-NE 2.67Å; E267-R270 IonicContact OE1-NH2 3.12Å; E267-R270 PolarHBondContact OE1-NH2 2.98Å; E267-R270 IonicContact OE2-CZ 3.61Å; E267-R270 VanDerWaalsContact OE2-CZ 3.23Å; E267-R270 IonicContact OE2-NE 2.76Å; E267-R270 PolarHBondContact OE2-NE 3.38Å; E267-R270 IonicContact OE2-NH2 2.73Å; E267-R270 PolarHBondContact OE2-NH2 3.24Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-R270 PolarHBondContact O-N 3.09Å; R270-A273 PolarHBondContact O-N 2.81Å; R270-E274 WeakPolarHBondContact O-CB 2.99Å; R270-E274 PolarHBondContact O-N 2.83Å |
| 271 | L | 94.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.8 | -70.6 | 174 | 0 | 0 | 0 | 112.2 | L149 L153 L156 E267 R268 E274 K275 | L149-L271 HydrophobicContact CD2-CD2 4.02Å; L153-L271 HydrophobicContact CD1-CB 4.25Å; L156-L271 HydrophobicContact CD1-CD1 3.67Å; E267-L271 HydrophobicContact CG-CD1 4.26Å; E267-L271 WeakPolarHBondContact O-CG 3.41Å; E267-L271 PolarHBondContact O-N 3.13Å; R268-L271 PolarHBondContact O-N 3.32Å; L271-E274 PolarHBondContact O-N 3.23Å; L271-K275 WeakPolarHBondContact O-CB 3.33Å; L271-K275 PolarHBondContact O-N 2.78Å |
| 272 | A | 93.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 72.1 Ų | 72.1 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L153 R268 N269 K275 N276 | L153-A272 HydrophobicContact CD1-CB 4.14Å; L153-A272 HydrophobicContact CD2-CB 4.31Å; R268-A272 WeakPolarHBondContact O-CB 2.97Å; R268-A272 PolarHBondContact O-N 2.99Å; N269-A272 PolarHBondContact O-N 2.9Å; A272-K275 PolarHBondContact O-N 3.49Å; A272-N276 WeakPolarHBondContact O-CB 3.39Å; A272-N276 VanDerWaalsContact O-CG 3.32Å; A272-N276 PolarHBondContact O-N 2.99Å; A272-N276 PolarHBondContact O-ND2 3.07Å |
| 273 | A | 95.5 | Very high | 92.9 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 49% | 0.488 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N269 R270 N276 K277 | N269-A273 VanDerWaalsContact O-CB 3.29Å; N269-A273 WeakPolarHBondContact O-CB 3.48Å; N269-A273 PolarHBondContact O-N 2.93Å; R270-A273 PolarHBondContact O-N 2.81Å; A273-N276 PolarHBondContact O-N 2.81Å; A273-K277 VanDerWaalsContact O-CB 3.28Å; A273-K277 WeakPolarHBondContact O-CB 3.38Å; A273-K277 PolarHBondContact O-N 2.94Å |
| 274 | E | 95.1 | Very high | 93 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 178.1 | -170.5 | 59.4 | -150.9 | 0 | 0 | 111.7 | L149 R270 L271 N276 K277 Q278 | L149-E274 HydrophobicContact CD1-CG 3.97Å; L149-E274 HydrophobicContact CD2-CG 4.21Å; R270-E274 WeakPolarHBondContact O-CB 2.99Å; R270-E274 PolarHBondContact O-N 2.83Å; L271-E274 PolarHBondContact O-N 3.23Å; E274-N276 VanDerWaalsContact C-N 3.32Å; E274-N276 PolarHBondContact O-N 3.46Å; E274-K277 PolarHBondContact O-N 3.45Å; E274-Q278 HydrophobicContact CG-CG 4.4Å; E274-Q278 WeakPolarHBondContact O-CB 3.43Å; E274-Q278 VanDerWaalsContact O-CG 3.27Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.8Å; E274-Q278 WeakPolarHBondContact OE1-CG 3.47Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å |
| 275 | K | 93.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 74.9 Ų | 74.9 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.5 | -49.8 | 172.5 | -178.8 | -165.3 | 171.9 | -171.2 | 0 | 110.7 | Y146 L153 L271 A272 K277 Q278 F279 | Y146-K275 HydrophobicContact CE2-CG 4.16Å; Y146-K275 WeakPolarHBondContact OH-CE 3.4Å; L153-K275 HydrophobicContact CD2-CD 3.93Å; L271-K275 WeakPolarHBondContact O-CB 3.33Å; L271-K275 PolarHBondContact O-N 2.78Å; A272-K275 PolarHBondContact O-N 3.49Å; K275-K277 PolarHBondContact O-N 2.78Å; K275-Q278 PolarHBondContact O-N 2.84Å; K275-F279 PolarHBondContact O-N 2.74Å |
| 276 | N | 92.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 69 Ų | 69 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | -178.5 | -72.4 | -15.4 | 0 | 0 | 0 | 112.1 | A272 A273 E274 F279 | A272-N276 WeakPolarHBondContact O-CB 3.39Å; A272-N276 VanDerWaalsContact O-CG 3.32Å; A272-N276 PolarHBondContact O-N 2.99Å; A272-N276 PolarHBondContact O-ND2 3.07Å; A273-N276 PolarHBondContact O-N 2.81Å; E274-N276 VanDerWaalsContact C-N 3.32Å; E274-N276 PolarHBondContact O-N 3.46Å; N276-F279 PolarHBondContact O-N 2.79Å |
| 277 | K | 95.2 | Very high | 93.8 | Very high | 142 Ų | 142 | 68 Ų | 68 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 176.3 | -176.6 | -177.1 | 174.5 | -169.5 | 0 | 112.3 | A273 E274 K275 P281 | A273-K277 VanDerWaalsContact O-CB 3.28Å; A273-K277 WeakPolarHBondContact O-CB 3.38Å; A273-K277 PolarHBondContact O-N 2.94Å; E274-K277 PolarHBondContact O-N 3.45Å; K275-K277 PolarHBondContact O-N 2.78Å; K277-P281 WeakPolarHBondContact O-CD 3.37Å; K277-P281 WeakPolarHBondContact O-CG 3.43Å |
| 278 | Q | 93.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 68 Ų | 68 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.1 | -27.5 | -179.8 | -68.4 | -69.5 | -7.4 | 0 | 0 | 113.1 | Y146 L149 E274 K275 G280 P281 L282 | Y146-Q278 HydrophobicContact CD2-CB 4.03Å; Y146-Q278 HydrophobicContact CE2-CB 4.22Å; L149-Q278 HydrophobicContact CD1-CG 4.16Å; E274-Q278 HydrophobicContact CG-CG 4.4Å; E274-Q278 WeakPolarHBondContact O-CB 3.43Å; E274-Q278 VanDerWaalsContact O-CG 3.27Å; E274-Q278 WeakPolarHBondContact O-CG 3.46Å; E274-Q278 PolarHBondContact O-N 2.8Å; E274-Q278 WeakPolarHBondContact OE1-CG 3.47Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å; K275-Q278 PolarHBondContact O-N 2.84Å; Q278-G280 PolarHBondContact O-N 3.5Å; Q278-P281 WeakPolarHBondContact O-CD 3.45Å; Q278-L282 WeakPolarHBondContact O-CB 3.47Å; Q278-L282 PolarHBondContact O-N 3.43Å |
| 279 | F | 94.2 | Very high | 94 | Very high | 67 Ų | 67 | 65.8 Ų | 65.8 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -52.7 | -175.4 | 178.7 | -99.3 | 0 | 0 | 0 | 113.3 | I77 Y146 K275 N276 L282 V283 | I77-F279 HydrophobicContact CG2-CD2 3.79Å; I77-F279 HydrophobicContact CG2-CE2 3.4Å; I77-F279 HydrophobicContact CG2-CZ 4.4Å; I77-F279 WeakPolarHBondContact O-CE2 3.5Å; Y146-F279 HydrophobicContact CE2-CB 4.32Å; Y146-F279 WeakPolarHBondContact OH-CD2 3.38Å; K275-F279 PolarHBondContact O-N 2.74Å; N276-F279 PolarHBondContact O-N 2.79Å; F279-L282 PolarHBondContact O-N 2.69Å; F279-V283 HydrophobicContact CD1-CG2 4.31Å; F279-V283 HydrophobicContact CD2-CG2 4.33Å; F279-V283 HydrophobicContact CE1-CG2 3.92Å; F279-V283 HydrophobicContact CE2-CG2 3.98Å; F279-V283 HydrophobicContact CZ-CG2 3.75Å; F279-V283 WeakPolarHBondContact O-CG2 3.28Å; F279-V283 PolarHBondContact O-N 3.23Å |
| 280 | G | 93.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 62.1 Ų | 62.1 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -53.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q278 L282 V283 R284 | Q278-G280 PolarHBondContact O-N 3.5Å; G280-L282 VanDerWaalsContact C-N 3.27Å; G280-L282 PolarHBondContact O-N 3.02Å; G280-V283 PolarHBondContact O-N 3.31Å; G280-R284 PolarHBondContact O-N 3.17Å |
| 281 | P | 95.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 55 Ų | 55 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56 | -38.6 | 173.3 | -27.8 | 36 | 0 | 0 | 0 | 113.6 | K277 Q278 R284 W285 | K277-P281 WeakPolarHBondContact O-CD 3.37Å; K277-P281 WeakPolarHBondContact O-CG 3.43Å; Q278-P281 WeakPolarHBondContact O-CD 3.45Å; P281-R284 PolarHBondContact O-N 3.2Å; P281-W285 WeakPolarHBondContact O-CB 3.25Å; P281-W285 PolarHBondContact O-N 3.41Å |
| 282 | L | 95.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.3 | -46.7 | 178.9 | -177.9 | 51.5 | 0 | 0 | 0 | 112 | I77 K142 Y146 Q278 F279 G280 R284 W285 L286 | I77-L282 HydrophobicContact CD1-CD2 3.21Å; I77-L282 HydrophobicContact CD1-CG 3.72Å; K142-L282 HydrophobicContact CB-CD1 4Å; K142-L282 HydrophobicContact CD-CD1 4.08Å; K142-L282 HydrophobicContact CG-CD1 4.5Å; Y146-L282 HydrophobicContact CD1-CD2 3.99Å; Y146-L282 HydrophobicContact CD2-CD2 3.57Å; Y146-L282 HydrophobicContact CE2-CD2 4.24Å; Y146-L282 HydrophobicContact CG-CD2 3.43Å; Y146-L282 VanDerWaalsContact CG-CD2 3.43Å; Q278-L282 WeakPolarHBondContact O-CB 3.47Å; Q278-L282 PolarHBondContact O-N 3.43Å; F279-L282 PolarHBondContact O-N 2.69Å; G280-L282 VanDerWaalsContact C-N 3.27Å; G280-L282 PolarHBondContact O-N 3.02Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.08Å; L282-W285 PolarHBondContact O-N 2.91Å; L282-L286 HydrophobicContact CD1-CD1 4.38Å; L282-L286 HydrophobicContact CD1-CG 4.35Å; L282-L286 HydrophobicContact CG-CD1 4.27Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.43Å |
| 283 | V | 94.3 | Very high | 93.7 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 174.2 | 168 | 0 | 0 | 0 | 0 | 110.9 | F74 I77 F279 G280 W285 L286 K287 | F74-V283 HydrophobicContact CE2-CB 4.43Å; F74-V283 HydrophobicContact CE2-CG1 3.92Å; F74-V283 HydrophobicContact CE2-CG2 4.29Å; F74-V283 HydrophobicContact CZ-CG1 3.99Å; I77-V283 HydrophobicContact CG2-CG2 4.23Å; F279-V283 HydrophobicContact CD1-CG2 4.31Å; F279-V283 HydrophobicContact CD2-CG2 4.33Å; F279-V283 HydrophobicContact CE1-CG2 3.92Å; F279-V283 HydrophobicContact CE2-CG2 3.98Å; F279-V283 HydrophobicContact CZ-CG2 3.75Å; F279-V283 WeakPolarHBondContact O-CG2 3.28Å; F279-V283 PolarHBondContact O-N 3.23Å; G280-V283 PolarHBondContact O-N 3.31Å; V283-W285 VanDerWaalsContact C-N 3.34Å; V283-W285 PolarHBondContact O-N 3.06Å; V283-L286 PolarHBondContact O-N 3.47Å; V283-K287 WeakPolarHBondContact O-CG 3.49Å; V283-K287 PolarHBondContact O-N 2.95Å |
| 284 | R | 93.1 | Very high | 93.5 | Very high | 179 Ų | 179 | 53 Ų | 53 | 68% | 0.675 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 176.5 | -177.1 | 177.6 | -179.6 | 169.7 | 0.8 | 111.7 | G280 P281 L282 K287 I288 | G280-R284 PolarHBondContact O-N 3.17Å; P281-R284 PolarHBondContact O-N 3.2Å; L282-R284 VanDerWaalsContact C-N 3.32Å; L282-R284 PolarHBondContact O-N 3.08Å; R284-K287 PolarHBondContact O-N 2.74Å; R284-I288 HydrophobicContact CG-CD1 4.01Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.03Å |
| 285 | W | 95.1 | Very high | 93.3 | Very high | 43 Ų | 43 | 50 Ų | 50 | 16% | 0.163 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.4 | -174.3 | 90.7 | 0 | 0 | 0 | 111.3 | I135 D138 L139 K142 P281 L282 V283 K287 I288 N289 | I135-W285 HydrophobicContact CG2-CH2 4.36Å; D138-W285 HydrophobicContact CB-CH2 4.06Å; D138-W285 HydrophobicContact CB-CZ2 3.54Å; L139-W285 HydrophobicContact CB-CH2 4.04Å; L139-W285 HydrophobicContact CB-CZ3 4.31Å; L139-W285 HydrophobicContact CD1-CZ3 4.09Å; K142-W285 HydrophobicContact CD-CD2 3.48Å; K142-W285 VanDerWaalsContact CD-CD2 3.48Å; K142-W285 HydrophobicContact CD-CE3 3.66Å; K142-W285 HydrophobicContact CD-CG 3.95Å; K142-W285 HydrophobicContact CD-CH2 4.29Å; K142-W285 HydrophobicContact CD-CZ2 4.14Å; K142-W285 HydrophobicContact CD-CZ3 4.06Å; K142-W285 VanDerWaalsContact CE-CD1 3.5Å; K142-W285 VanDerWaalsContact CE-CD2 3.43Å; K142-W285 VanDerWaalsContact CE-NE1 3.3Å; P281-W285 WeakPolarHBondContact O-CB 3.25Å; P281-W285 PolarHBondContact O-N 3.41Å; L282-W285 PolarHBondContact O-N 2.91Å; V283-W285 VanDerWaalsContact C-N 3.34Å; V283-W285 PolarHBondContact O-N 3.06Å; W285-K287 PolarHBondContact O-N 2.78Å; W285-I288 PolarHBondContact O-N 3.25Å; W285-N289 HydrophobicContact CD2-CB 4.5Å; W285-N289 VanDerWaalsContact CD2-ND2 3.27Å; W285-N289 HydrophobicContact CE3-CB 4.43Å; W285-N289 HydrophobicContact CH2-CB 4.17Å; W285-N289 HydrophobicContact CZ2-CB 4.24Å; W285-N289 HydrophobicContact CZ3-CB 4.27Å; W285-N289 PolarHBondContact NE1-ND2 3.1Å; W285-N289 VanDerWaalsContact NE1-ND2 3.13Å; W285-N289 WeakPolarHBondContact O-CB 3.47Å; W285-N289 PolarHBondContact O-N 3.39Å; W285-N289 PolarHBondContact O-ND2 2.95Å |
| 286 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.5 | -71.8 | 166.6 | 0 | 0 | 0 | 112 | L70 Y73 F74 I77 L139 L282 V283 N289 F290 | L70-L286 HydrophobicContact CD2-CD2 4.12Å; L70-L286 HydrophobicContact CG-CD2 4.08Å; Y73-L286 HydrophobicContact CD1-CD1 4.44Å; Y73-L286 HydrophobicContact CD1-CD2 4.16Å; F74-L286 HydrophobicContact CB-CD1 4.18Å; F74-L286 HydrophobicContact CD1-CB 3.86Å; F74-L286 HydrophobicContact CD2-CB 4.24Å; F74-L286 HydrophobicContact CD2-CD1 3.77Å; F74-L286 HydrophobicContact CE1-CB 3.98Å; F74-L286 HydrophobicContact CE2-CB 4.36Å; F74-L286 HydrophobicContact CE2-CD1 4.32Å; F74-L286 HydrophobicContact CG-CB 4Å; F74-L286 HydrophobicContact CG-CD1 3.98Å; F74-L286 HydrophobicContact CZ-CB 4.22Å; I77-L286 HydrophobicContact CD1-CD1 4.24Å; L139-L286 HydrophobicContact CD1-CD2 4Å; L282-L286 HydrophobicContact CD1-CD1 4.38Å; L282-L286 HydrophobicContact CD1-CG 4.35Å; L282-L286 HydrophobicContact CG-CD1 4.27Å; L282-L286 WeakPolarHBondContact O-CG 3.36Å; L282-L286 PolarHBondContact O-N 3.43Å; V283-L286 PolarHBondContact O-N 3.47Å; L286-N289 PolarHBondContact O-N 2.81Å; L286-F290 WeakPolarHBondContact O-CB 3.4Å; L286-F290 PolarHBondContact O-N 2.94Å |
| 287 | K | 92.7 | Very high | 93.1 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 175.8 | -69.4 | -178.1 | -179.2 | -160.8 | 0 | 112.8 | F74 N88 V283 R284 W285 F290 S291 | F74-K287 HydrophobicContact CE1-CG 3.82Å; F74-K287 HydrophobicContact CZ-CG 3.73Å; N88-K287 WeakPolarHBondContact OD1-CE 3.43Å; N88-K287 PolarHBondContact OD1-NZ 2.77Å; V283-K287 WeakPolarHBondContact O-CG 3.49Å; V283-K287 PolarHBondContact O-N 2.95Å; R284-K287 PolarHBondContact O-N 2.74Å; W285-K287 PolarHBondContact O-N 2.78Å; K287-F290 PolarHBondContact O-N 3.42Å; K287-S291 PolarHBondContact O-N 3.33Å; K287-S291 VanDerWaalsContact O-N 3.16Å |
| 288 | I | 91.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 36.3 Ų | 36.3 | 35% | 0.354 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.9 | -49.2 | -178.1 | -67.3 | 167.2 | 0 | 0 | 0 | 109.6 | R284 W285 F290 S291 E292 | R284-I288 HydrophobicContact CG-CD1 4.01Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.03Å; W285-I288 PolarHBondContact O-N 3.25Å; I288-F290 VanDerWaalsContact C-N 3.33Å; I288-F290 PolarHBondContact O-N 3.5Å; I288-S291 WeakPolarHBondContact O-CB 3.34Å; I288-S291 PolarHBondContact O-N 3.43Å; I288-E292 WeakPolarHBondContact O-CG 3.37Å; I288-E292 PolarHBondContact O-N 3.06Å |
| 289 | N | 92.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 33 Ų | 33 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.3 | -26 | -175.6 | -71.6 | -88.1 | 0 | 0 | 0 | 112.4 | L70 I135 W285 L286 M293 | L70-N289 HydrophobicContact CD1-CB 3.95Å; I135-N289 HydrophobicContact CG2-CB 4.04Å; W285-N289 HydrophobicContact CD2-CB 4.5Å; W285-N289 VanDerWaalsContact CD2-ND2 3.27Å; W285-N289 HydrophobicContact CE3-CB 4.43Å; W285-N289 HydrophobicContact CH2-CB 4.17Å; W285-N289 HydrophobicContact CZ2-CB 4.24Å; W285-N289 HydrophobicContact CZ3-CB 4.27Å; W285-N289 PolarHBondContact NE1-ND2 3.1Å; W285-N289 VanDerWaalsContact NE1-ND2 3.13Å; W285-N289 WeakPolarHBondContact O-CB 3.47Å; W285-N289 PolarHBondContact O-N 3.39Å; W285-N289 PolarHBondContact O-ND2 2.95Å; L286-N289 PolarHBondContact O-N 2.81Å; N289-M293 WeakPolarHBondContact O-CB 3.48Å; N289-M293 PolarHBondContact O-N 2.96Å |
| 290 | F | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -51.8 | 167 | 173.1 | -104.5 | 0 | 0 | 0 | 110.8 | T67 L70 V71 L89 V91 I115 L286 K287 I288 E292 M293 F294 L385 | T67-F290 HydrophobicContact CG2-CD2 4.49Å; T67-F290 HydrophobicContact CG2-CE2 4.14Å; L70-F290 HydrophobicContact CD2-CB 3.7Å; L70-F290 HydrophobicContact CD2-CD2 4.3Å; L70-F290 HydrophobicContact CD2-CG 4.47Å; V71-F290 HydrophobicContact CG2-CD2 3.72Å; V71-F290 HydrophobicContact CG2-CE2 3.61Å; L89-F290 VanDerWaalsContact C-CE1 3.46Å; L89-F290 HydrophobicContact CB-CD1 4.1Å; L89-F290 HydrophobicContact CB-CE1 3.64Å; L89-F290 HydrophobicContact CB-CZ 3.9Å; L89-F290 HydrophobicContact CD2-CB 4.47Å; L89-F290 HydrophobicContact CD2-CD1 3.93Å; L89-F290 HydrophobicContact CD2-CD2 3.75Å; L89-F290 HydrophobicContact CD2-CE1 4.12Å; L89-F290 HydrophobicContact CD2-CE2 3.95Å; L89-F290 HydrophobicContact CD2-CG 3.74Å; L89-F290 HydrophobicContact CD2-CZ 4.13Å; L89-F290 HydrophobicContact CG-CE1 4.42Å; L89-F290 HydrophobicContact CG-CZ 4.4Å; V91-F290 HydrophobicContact CG2-CE1 3.99Å; I115-F290 HydrophobicContact CD1-CE1 4.27Å; I115-F290 HydrophobicContact CD1-CZ 3.64Å; I115-F290 HydrophobicContact CG1-CE1 4.16Å; I115-F290 HydrophobicContact CG1-CZ 3.89Å; L286-F290 WeakPolarHBondContact O-CB 3.4Å; L286-F290 PolarHBondContact O-N 2.94Å; K287-F290 PolarHBondContact O-N 3.42Å; I288-F290 VanDerWaalsContact C-N 3.33Å; I288-F290 PolarHBondContact O-N 3.5Å; F290-E292 PolarHBondContact O-N 3.29Å; F290-M293 PolarHBondContact O-N 3.22Å; F290-F294 HydrophobicContact CE2-CB 4.26Å; F290-F294 HydrophobicContact CE2-CD2 4.39Å; F290-F294 HydrophobicContact CZ-CB 4.14Å; F290-F294 HydrophobicContact CZ-CD2 4.23Å; F290-F294 HydrophobicContact CZ-CG 4.25Å; F290-F294 VanDerWaalsContact O-CB 3.3Å; F290-F294 WeakPolarHBondContact O-CB 3.27Å; F290-F294 PolarHBondContact O-N 3.2Å; F290-L385 HydrophobicContact CE2-CD1 3.62Å; F290-L385 HydrophobicContact CZ-CD1 3.91Å |
| 291 | S | 91.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 178 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | Q90 Q92 K287 I288 M293 S295 | Q90-S291 WeakPolarHBondContact O-CB 3.3Å; Q92-S291 PolarHBondContact N-OG 3.29Å; K287-S291 PolarHBondContact O-N 3.33Å; K287-S291 VanDerWaalsContact O-N 3.16Å; I288-S291 WeakPolarHBondContact O-CB 3.34Å; I288-S291 PolarHBondContact O-N 3.43Å; S291-M293 PolarHBondContact O-N 3.05Å; S291-S295 WeakPolarHBondContact O-CB 3.35Å; S291-S295 PolarHBondContact O-N 3.39Å |
| 292 | E | 90.3 | Very high | 92.5 | Very high | 64 Ų | 64 | 24.2 Ų | 24.2 | 30% | 0.299 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 177.2 | -70.2 | -57.1 | 134.4 | 0 | 0 | 111.9 | K128 I135 I288 F290 A296 | K128-E292 IonicContact NZ-OE1 2.79Å; K128-E292 PolarHBondContact NZ-OE1 3.48Å; K128-E292 IonicContact NZ-OE2 3.2Å; K128-E292 PolarHBondContact NZ-OE2 3.47Å; I135-E292 HydrophobicContact CD1-CB 4.1Å; I288-E292 WeakPolarHBondContact O-CG 3.37Å; I288-E292 PolarHBondContact O-N 3.06Å; F290-E292 PolarHBondContact O-N 3.29Å; E292-A296 VanDerWaalsContact O-CB 3.28Å; E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.27Å |
| 293 | M | 91.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.1 | -46.1 | -176.4 | -167.8 | 70.7 | -85.1 | 0 | 0 | 111.7 | A63 V66 T67 V132 I135 N289 F290 S291 S295 A296 W297 | A63-M293 HydrophobicContact CB-CE 4.12Å; V66-M293 HydrophobicContact CB-SD 4.15Å; V66-M293 HydrophobicContact CG1-CG 4.29Å; V66-M293 HydrophobicContact CG1-SD 3.74Å; T67-M293 WeakPolarHBondContact OG1-CG 3.41Å; V132-M293 HydrophobicContact CB-CE 3.91Å; V132-M293 HydrophobicContact CB-SD 4.22Å; V132-M293 HydrophobicContact CG1-CE 3.81Å; V132-M293 HydrophobicContact CG1-SD 3.75Å; V132-M293 HydrophobicContact CG2-CE 3.44Å; V132-M293 VanDerWaalsContact CG2-CE 3.44Å; V132-M293 HydrophobicContact CG2-SD 4.4Å; I135-M293 HydrophobicContact CD1-SD 4.44Å; N289-M293 WeakPolarHBondContact O-CB 3.48Å; N289-M293 PolarHBondContact O-N 2.96Å; F290-M293 PolarHBondContact O-N 3.22Å; S291-M293 PolarHBondContact O-N 3.05Å; M293-S295 PolarHBondContact O-N 3.34Å; M293-A296 HydrophobicContact CE-CB 3.84Å; M293-A296 PolarHBondContact O-N 3.17Å; M293-W297 WeakPolarHBondContact O-CB 3.42Å; M293-W297 PolarHBondContact O-N 2.9Å |
| 294 | F | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.9 | -169 | -92.3 | 0 | 0 | 0 | 111.2 | T67 V91 I115 Y118 V119 F290 A296 W297 I298 T383 L385 | T67-F294 HydrophobicContact CG2-CD2 4.2Å; V91-F294 HydrophobicContact CG1-CD1 4.37Å; V91-F294 HydrophobicContact CG2-CB 4.24Å; V91-F294 HydrophobicContact CG2-CD1 3.61Å; V91-F294 HydrophobicContact CG2-CE1 4.34Å; V91-F294 HydrophobicContact CG2-CG 4.13Å; I115-F294 HydrophobicContact CG2-CE1 3.78Å; I115-F294 HydrophobicContact CG2-CE2 3.8Å; I115-F294 HydrophobicContact CG2-CZ 3.32Å; Y118-F294 AromaticContact CD1-CD1 3.99Å; Y118-F294 HydrophobicContact CD1-CD1 3.99Å; Y118-F294 AromaticContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CD1-CE1 3.85Å; Y118-F294 HydrophobicContact CE1-CD1 4.35Å; Y118-F294 HydrophobicContact CE1-CE1 4.47Å; V119-F294 HydrophobicContact CG2-CE1 3.72Å; V119-F294 HydrophobicContact CG2-CZ 3.63Å; F290-F294 HydrophobicContact CE2-CB 4.26Å; F290-F294 HydrophobicContact CE2-CD2 4.39Å; F290-F294 HydrophobicContact CZ-CB 4.14Å; F290-F294 HydrophobicContact CZ-CD2 4.23Å; F290-F294 HydrophobicContact CZ-CG 4.25Å; F290-F294 VanDerWaalsContact O-CB 3.3Å; F290-F294 WeakPolarHBondContact O-CB 3.27Å; F290-F294 PolarHBondContact O-N 3.2Å; F294-A296 PolarHBondContact O-N 3.27Å; F294-W297 AromaticContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CZ3 4.31Å; F294-W297 AromaticContact CE2-CE3 3.91Å; F294-W297 HydrophobicContact CE2-CE3 3.91Å; F294-W297 AromaticContact CE2-CZ3 3.94Å; F294-W297 HydrophobicContact CE2-CZ3 3.94Å; F294-W297 WeakPolarHBondContact O-CB 3.44Å; F294-W297 PolarHBondContact O-N 2.91Å; F294-I298 HydrophobicContact CD1-CG1 4.15Å; F294-I298 HydrophobicContact CE1-CD1 4.08Å; F294-I298 HydrophobicContact CE1-CG1 3.72Å; F294-I298 HydrophobicContact CZ-CD1 3.95Å; F294-I298 HydrophobicContact CZ-CG1 4.1Å; F294-I298 WeakPolarHBondContact O-CG1 3.34Å; F294-I298 PolarHBondContact O-N 2.91Å; F294-T383 HydrophobicContact CZ-CG2 4.24Å; F294-L385 HydrophobicContact CD2-CD1 4.24Å; F294-L385 HydrophobicContact CE2-CD1 4.34Å |
| 295 | S | 89.9 | Confident | 92.3 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.8 | -50.6 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | Y118 S291 M293 W297 I298 H299 | Y118-S295 WeakPolarHBondContact OH-CA 3.29Å; Y118-S295 WeakPolarHBondContact OH-CB 3.45Å; Y118-S295 PolarHBondContact OH-OG 3.46Å; S291-S295 WeakPolarHBondContact O-CB 3.35Å; S291-S295 PolarHBondContact O-N 3.39Å; M293-S295 PolarHBondContact O-N 3.34Å; S295-W297 VanDerWaalsContact C-N 3.28Å; S295-W297 PolarHBondContact O-N 3.47Å; S295-I298 PolarHBondContact O-N 2.64Å; S295-H299 PolarHBondContact O-N 2.82Å; S295-H299 PolarHBondContact O-ND1 2.89Å |
| 296 | A | 90.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 6% | 0.058 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.7 | -38.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P130 E292 M293 F294 H299 V300 | P130-A296 HydrophobicContact CB-CB 4.24Å; E292-A296 VanDerWaalsContact O-CB 3.28Å; E292-A296 WeakPolarHBondContact O-CB 3.36Å; E292-A296 PolarHBondContact O-N 3.27Å; M293-A296 HydrophobicContact CE-CB 3.84Å; M293-A296 PolarHBondContact O-N 3.17Å; F294-A296 PolarHBondContact O-N 3.27Å; A296-H299 WeakPolarHBondContact O-CB 3.18Å; A296-H299 PolarHBondContact O-N 3.07Å; A296-V300 WeakPolarHBondContact O-CG2 3.48Å; A296-V300 PolarHBondContact O-N 2.94Å |
| 297 | W | 92 | Very high | 92 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 177.4 | -176 | 28.6 | 0 | 0 | 0 | 112.3 | D60 A63 E64 T67 M293 F294 S295 H299 V300 K301 L385 | D60-W297 PolarHBondContact O-NE1 3.03Å; D60-W297 VanDerWaalsContact OD1-CD1 3.27Å; D60-W297 PolarHBondContact OD1-NE1 3.26Å; A63-W297 HydrophobicContact CB-CB 4.16Å; A63-W297 HydrophobicContact CB-CG 4.2Å; E64-W297 HydrophobicContact CB-CD2 4.35Å; E64-W297 HydrophobicContact CB-CH2 4.18Å; E64-W297 HydrophobicContact CB-CZ2 3.49Å; E64-W297 VanDerWaalsContact CB-CZ2 3.49Å; E64-W297 HydrophobicContact CG-CH2 3.66Å; E64-W297 HydrophobicContact CG-CZ2 3.39Å; E64-W297 HydrophobicContact CG-CZ3 4.48Å; E64-W297 WeakPolarHBondContact OE2-CZ2 3.32Å; T67-W297 HydrophobicContact CG2-CE3 4.36Å; M293-W297 WeakPolarHBondContact O-CB 3.42Å; M293-W297 PolarHBondContact O-N 2.9Å; F294-W297 AromaticContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CE3 3.96Å; F294-W297 HydrophobicContact CD2-CZ3 4.31Å; F294-W297 AromaticContact CE2-CE3 3.91Å; F294-W297 HydrophobicContact CE2-CE3 3.91Å; F294-W297 AromaticContact CE2-CZ3 3.94Å; F294-W297 HydrophobicContact CE2-CZ3 3.94Å; F294-W297 WeakPolarHBondContact O-CB 3.44Å; F294-W297 PolarHBondContact O-N 2.91Å; S295-W297 VanDerWaalsContact C-N 3.28Å; S295-W297 PolarHBondContact O-N 3.47Å; W297-H299 VanDerWaalsContact C-N 3.31Å; W297-H299 PolarHBondContact O-N 2.87Å; W297-V300 PolarHBondContact O-N 3.28Å; W297-K301 VanDerWaalsContact CE2-CE 3.44Å; W297-K301 PolarHBondContact O-N 2.71Å; W297-L385 HydrophobicContact CZ3-CD2 4Å |
| 298 | I | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 176.1 | -57.6 | -57.6 | 0 | 0 | 0 | 111.6 | F36 Y118 V119 F122 F294 S295 K301 A302 I381 | F36-I298 HydrophobicContact CE2-CG2 4.26Å; F36-I298 HydrophobicContact CZ-CG2 4.14Å; Y118-I298 HydrophobicContact CD1-CG1 4.32Å; Y118-I298 HydrophobicContact CE1-CB 4.1Å; Y118-I298 HydrophobicContact CE1-CG1 4Å; Y118-I298 HydrophobicContact CE1-CG2 4.41Å; V119-I298 HydrophobicContact CG2-CD1 3.99Å; V119-I298 HydrophobicContact CG2-CG1 4.41Å; F122-I298 HydrophobicContact CD2-CB 4.29Å; F122-I298 HydrophobicContact CD2-CG2 3.35Å; F122-I298 HydrophobicContact CE2-CB 4.31Å; F122-I298 HydrophobicContact CE2-CG2 3.64Å; F122-I298 HydrophobicContact CG-CG2 3.98Å; F122-I298 HydrophobicContact CZ-CG2 4.47Å; F294-I298 HydrophobicContact CD1-CG1 4.15Å; F294-I298 HydrophobicContact CE1-CD1 4.08Å; F294-I298 HydrophobicContact CE1-CG1 3.72Å; F294-I298 HydrophobicContact CZ-CD1 3.95Å; F294-I298 HydrophobicContact CZ-CG1 4.1Å; F294-I298 WeakPolarHBondContact O-CG1 3.34Å; F294-I298 PolarHBondContact O-N 2.91Å; S295-I298 PolarHBondContact O-N 2.64Å; I298-K301 PolarHBondContact O-N 2.99Å; I298-A302 PolarHBondContact O-N 3.32Å; I298-I381 HydrophobicContact CD1-CD1 4.2Å; I298-I381 HydrophobicContact CD1-CG2 4.04Å |
| 299 | H | 90.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.019 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 173 | -77.5 | 70.8 | 0 | 0 | 0 | 112.3 | F122 W124 D125 S295 A296 W297 K301 A302 L303 | F122-H299 AromaticContact CE2-CE1 3.55Å; F122-H299 AromaticContact CE2-ND1 3.62Å; F122-H299 AromaticContact CZ-CE1 3.99Å; W124-H299 AromaticContact CE3-CD2 3.88Å; W124-H299 AromaticContact CZ3-CD2 3.98Å; D125-H299 PolarHBondContact N-NE2 2.92Å; D125-H299 PolarHBondContact O-NE2 3.28Å; S295-H299 PolarHBondContact O-N 2.82Å; S295-H299 PolarHBondContact O-ND1 2.89Å; A296-H299 WeakPolarHBondContact O-CB 3.18Å; A296-H299 PolarHBondContact O-N 3.07Å; W297-H299 VanDerWaalsContact C-N 3.31Å; W297-H299 PolarHBondContact O-N 2.87Å; H299-K301 VanDerWaalsContact C-N 3.29Å; H299-K301 PolarHBondContact O-N 3.37Å; H299-A302 WeakPolarHBondContact O-CB 3.46Å; H299-A302 PolarHBondContact O-N 3.32Å; H299-L303 WeakPolarHBondContact O-CG 3.36Å; H299-L303 PolarHBondContact O-N 3.19Å |
| 300 | V | 91.9 | Very high | 92 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 174 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L56 L59 D60 P130 A296 W297 A302 L303 R304 | L56-V300 HydrophobicContact CD2-CG1 4.37Å; L59-V300 HydrophobicContact CB-CG1 4.33Å; L59-V300 HydrophobicContact CD2-CG1 4.36Å; L59-V300 HydrophobicContact CD2-CG2 3.73Å; L59-V300 HydrophobicContact CG-CG1 4.18Å; L59-V300 HydrophobicContact CG-CG2 3.91Å; D60-V300 HydrophobicContact CB-CG1 3.84Å; P130-V300 HydrophobicContact CB-CG2 4.39Å; P130-V300 HydrophobicContact CG-CG2 4.33Å; A296-V300 WeakPolarHBondContact O-CG2 3.48Å; A296-V300 PolarHBondContact O-N 2.94Å; W297-V300 PolarHBondContact O-N 3.28Å; V300-A302 PolarHBondContact O-N 2.76Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 3.45Å; V300-R304 WeakPolarHBondContact O-CG 3.27Å; V300-R304 PolarHBondContact O-N 2.91Å |
| 301 | K | 92.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 1% | 0.013 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 174.5 | -65.7 | -163.6 | -175.4 | -63.9 | 0 | 112.9 | L7 D60 W297 I298 H299 R304 V305 K380 I381 | L7-K301 HydrophobicContact CD2-CB 4.22Å; D60-K301 VanDerWaalsContact CG-NZ 3.32Å; D60-K301 IonicContact OD1-NZ 3.06Å; D60-K301 PolarHBondContact OD1-NZ 3.28Å; D60-K301 IonicContact OD2-NZ 3.36Å; D60-K301 PolarHBondContact OD2-NZ 2.83Å; D60-K301 VanDerWaalsContact OD2-NZ 3.08Å; W297-K301 VanDerWaalsContact CE2-CE 3.44Å; W297-K301 PolarHBondContact O-N 2.71Å; I298-K301 PolarHBondContact O-N 2.99Å; H299-K301 VanDerWaalsContact C-N 3.29Å; H299-K301 PolarHBondContact O-N 3.37Å; K301-R304 PolarHBondContact O-N 3.21Å; K301-V305 WeakPolarHBondContact O-CG2 3.27Å; K301-V305 PolarHBondContact O-N 3.02Å; K301-K380 PolarHBondContact NZ-O 3.33Å; K301-I381 HydrophobicContact CD-CB 4.41Å; K301-I381 HydrophobicContact CD-CD1 3.65Å; K301-I381 HydrophobicContact CD-CG1 3.51Å; K301-I381 HydrophobicContact CD-CG2 4.43Å |
| 302 | A | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F36 F122 W124 I298 H299 V300 R304 V305 F306 | F36-A302 HydrophobicContact CE1-CB 3.65Å; F36-A302 HydrophobicContact CZ-CB 4.01Å; F122-A302 HydrophobicContact CE1-CB 3.98Å; F122-A302 HydrophobicContact CZ-CB 4.04Å; W124-A302 HydrophobicContact CE3-CB 4.21Å; W124-A302 HydrophobicContact CZ3-CB 4Å; I298-A302 PolarHBondContact O-N 3.32Å; H299-A302 WeakPolarHBondContact O-CB 3.46Å; H299-A302 PolarHBondContact O-N 3.32Å; V300-A302 PolarHBondContact O-N 2.76Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.37Å; A302-V305 PolarHBondContact O-N 2.96Å; A302-F306 PolarHBondContact O-N 3.35Å |
| 303 | L | 91.7 | Very high | 92 | Very high | 47 Ų | 47 | 15.4 Ų | 15.4 | 25% | 0.246 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.9 | -74.3 | 173.1 | 0 | 0 | 0 | 112.1 | L41 L56 W124 H299 V300 F306 V307 | L41-L303 HydrophobicContact CD1-CD2 3.6Å; L56-L303 HydrophobicContact CD1-CB 3.94Å; L56-L303 HydrophobicContact CD2-CB 3.89Å; L56-L303 HydrophobicContact CD2-CD1 4.03Å; W124-L303 HydrophobicContact CH2-CD1 4.27Å; W124-L303 HydrophobicContact CH2-CD2 3.59Å; W124-L303 HydrophobicContact CH2-CG 3.73Å; W124-L303 HydrophobicContact CZ3-CD2 4.2Å; W124-L303 HydrophobicContact CZ3-CG 4.08Å; H299-L303 WeakPolarHBondContact O-CG 3.36Å; H299-L303 PolarHBondContact O-N 3.19Å; V300-L303 WeakPolarHBondContact O-CB 3.48Å; V300-L303 PolarHBondContact O-N 3.45Å; L303-F306 WeakPolarHBondContact O-CB 3.39Å; L303-F306 PolarHBondContact O-N 3.34Å; L303-V307 WeakPolarHBondContact O-CG2 3.47Å; L303-V307 PolarHBondContact O-N 3.2Å |
| 304 | R | 93.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 17 Ų | 17 | 15% | 0.147 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 175.9 | -76.1 | -169 | 65.4 | -172.9 | 0.5 | 111.8 | L56 D60 V300 K301 A302 F306 V307 E308 L379 | L56-R304 HydrophobicContact CB-CG 3.61Å; L56-R304 HydrophobicContact CD1-CG 4.5Å; D60-R304 WeakPolarHBondContact OD2-CD 3.21Å; D60-R304 IonicContact OD2-CZ 3.56Å; D60-R304 IonicContact OD2-NE 2.9Å; D60-R304 IonicContact OD2-NH1 3.24Å; D60-R304 PolarHBondContact OD2-NH1 2.9Å; V300-R304 WeakPolarHBondContact O-CG 3.27Å; V300-R304 PolarHBondContact O-N 2.91Å; K301-R304 PolarHBondContact O-N 3.21Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-R304 PolarHBondContact O-N 3.37Å; R304-F306 VanDerWaalsContact C-N 3.28Å; R304-F306 PolarHBondContact O-N 3.2Å; R304-V307 PolarHBondContact O-N 3.44Å; R304-E308 IonicContact CZ-OE1 3.37Å; R304-E308 IonicContact NE-OE1 3.58Å; R304-E308 PolarHBondContact NE-OE1 3.31Å; R304-E308 IonicContact NH2-OE1 3.74Å; R304-E308 PolarHBondContact NH2-OE1 2.98Å; R304-E308 VanDerWaalsContact O-CB 3.29Å; R304-E308 WeakPolarHBondContact O-CB 3.33Å; R304-E308 VanDerWaalsContact O-CG 3.3Å; R304-E308 WeakPolarHBondContact O-CG 3.34Å; R304-E308 PolarHBondContact O-N 3.2Å; R304-L379 HydrophobicContact CB-CD1 3.59Å |
| 305 | V | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 177.1 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L7 I38 K301 A302 S309 F319 A321 V377 L379 | L7-V305 HydrophobicContact CD2-CB 4.44Å; L7-V305 HydrophobicContact CD2-CG2 3.34Å; L7-V305 HydrophobicContact CG-CG2 3.61Å; I38-V305 HydrophobicContact CD1-CB 3.93Å; I38-V305 HydrophobicContact CD1-CG1 3.8Å; K301-V305 WeakPolarHBondContact O-CG2 3.27Å; K301-V305 PolarHBondContact O-N 3.02Å; A302-V305 PolarHBondContact O-N 2.96Å; V305-S309 WeakPolarHBondContact O-CB 3.42Å; V305-S309 PolarHBondContact O-N 3.36Å; V305-S309 PolarHBondContact O-OG 3.47Å; V305-F319 HydrophobicContact CG1-CE2 4.43Å; V305-A321 HydrophobicContact CG1-CB 3.98Å; V305-V377 HydrophobicContact CG1-CG1 4.42Å; V305-V377 HydrophobicContact CG2-CG1 4.38Å; V305-L379 HydrophobicContact CG2-CD1 3.57Å; V305-L379 HydrophobicContact CG2-CG 4.25Å |
| 306 | F | 92.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59 | -55.5 | 176.8 | -179.9 | -91.7 | 0 | 0 | 0 | 111.3 | I38 L41 V43 A302 L303 R304 E308 S309 V310 V317 F319 | I38-F306 HydrophobicContact CG2-CB 4.19Å; I38-F306 HydrophobicContact CG2-CD2 4.01Å; L41-F306 HydrophobicContact CB-CD1 4.31Å; L41-F306 HydrophobicContact CB-CD2 4.27Å; L41-F306 HydrophobicContact CB-CE1 3.89Å; L41-F306 HydrophobicContact CB-CE2 3.85Å; L41-F306 HydrophobicContact CB-CG 4.49Å; L41-F306 HydrophobicContact CB-CZ 3.65Å; L41-F306 HydrophobicContact CD1-CB 4.3Å; L41-F306 HydrophobicContact CD1-CD1 4.12Å; L41-F306 HydrophobicContact CD1-CD2 4.14Å; L41-F306 HydrophobicContact CD1-CG 3.92Å; L41-F306 HydrophobicContact CG-CD2 4.42Å; L41-F306 HydrophobicContact CG-CE2 4.42Å; L41-F306 WeakPolarHBondContact O-CZ 3.49Å; V43-F306 HydrophobicContact CG2-CE1 4.24Å; V43-F306 HydrophobicContact CG2-CZ 3.83Å; A302-F306 PolarHBondContact O-N 3.35Å; L303-F306 WeakPolarHBondContact O-CB 3.39Å; L303-F306 PolarHBondContact O-N 3.34Å; R304-F306 VanDerWaalsContact C-N 3.28Å; R304-F306 PolarHBondContact O-N 3.2Å; F306-E308 PolarHBondContact O-N 3.11Å; F306-S309 PolarHBondContact O-N 3.48Å; F306-V310 HydrophobicContact CD1-CG2 4.39Å; F306-V310 HydrophobicContact CE1-CG2 4.05Å; F306-V310 HydrophobicContact CE2-CG2 4.43Å; F306-V310 HydrophobicContact CZ-CG2 4.05Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.2Å; F306-V317 HydrophobicContact CE2-CG1 3.98Å; F306-V317 HydrophobicContact CZ-CG2 4.49Å; F306-F319 HydrophobicContact CB-CZ 4.45Å; F306-F319 HydrophobicContact CD2-CE1 4.06Å; F306-F319 AromaticContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CE2-CE1 4.48Å |
| 307 | V | 91.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | -178 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L49 L56 L303 R304 S309 V310 L311 | L49-V307 HydrophobicContact CB-CG1 4.35Å; L49-V307 HydrophobicContact CD2-CG1 4.32Å; L49-V307 HydrophobicContact CD2-CG2 4.22Å; L49-V307 WeakPolarHBondContact O-CG1 3.4Å; L56-V307 HydrophobicContact CD1-CB 4.27Å; L56-V307 HydrophobicContact CD1-CG2 3.74Å; L303-V307 WeakPolarHBondContact O-CG2 3.47Å; L303-V307 PolarHBondContact O-N 3.2Å; R304-V307 PolarHBondContact O-N 3.44Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 3.26Å; V307-V310 PolarHBondContact O-N 3Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 4.36Å; V307-L311 WeakPolarHBondContact O-CB 3.25Å; V307-L311 VanDerWaalsContact O-CG 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.33Å; V307-L311 PolarHBondContact O-N 3.31Å |
| 308 | E | 92.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -36 | 178.9 | -69.1 | -179 | -151.3 | 0 | 0 | 111.8 | R304 F306 R312 V377 | R304-E308 IonicContact CZ-OE1 3.37Å; R304-E308 IonicContact NE-OE1 3.58Å; R304-E308 PolarHBondContact NE-OE1 3.31Å; R304-E308 IonicContact NH2-OE1 3.74Å; R304-E308 PolarHBondContact NH2-OE1 2.98Å; R304-E308 VanDerWaalsContact O-CB 3.29Å; R304-E308 WeakPolarHBondContact O-CB 3.33Å; R304-E308 VanDerWaalsContact O-CG 3.3Å; R304-E308 WeakPolarHBondContact O-CG 3.34Å; R304-E308 PolarHBondContact O-N 3.2Å; F306-E308 PolarHBondContact O-N 3.11Å; E308-R312 WeakPolarHBondContact O-CB 3.41Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.44Å; E308-V377 HydrophobicContact CB-CG1 3.96Å; E308-V377 HydrophobicContact CB-CG2 3.95Å |
| 309 | S | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69 | -41 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | S9 V305 F306 V307 R312 Y313 | S9-S309 VanDerWaalsContact CB-OG 3.24Å; S9-S309 WeakPolarHBondContact CB-OG 3.27Å; S9-S309 PolarHBondContact OG-OG 3.05Å; V305-S309 WeakPolarHBondContact O-CB 3.42Å; V305-S309 PolarHBondContact O-N 3.36Å; V305-S309 PolarHBondContact O-OG 3.47Å; F306-S309 PolarHBondContact O-N 3.48Å; V307-S309 VanDerWaalsContact C-N 3.31Å; V307-S309 PolarHBondContact O-N 3.26Å; S309-R312 PolarHBondContact O-N 2.92Å; S309-Y313 VanDerWaalsContact O-CB 3.27Å; S309-Y313 WeakPolarHBondContact O-CB 3.48Å; S309-Y313 VanDerWaalsContact O-CD2 3.26Å; S309-Y313 WeakPolarHBondContact O-CD2 3.36Å; S309-Y313 PolarHBondContact O-N 2.82Å |
| 310 | V | 91.8 | Very high | 92 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | V43 L49 F306 V307 R312 G314 L315 V317 | V43-V310 HydrophobicContact CG1-CG1 4Å; L49-V310 HydrophobicContact CD1-CB 4.3Å; L49-V310 HydrophobicContact CD1-CG1 3.57Å; F306-V310 HydrophobicContact CD1-CG2 4.39Å; F306-V310 HydrophobicContact CE1-CG2 4.05Å; F306-V310 HydrophobicContact CE2-CG2 4.43Å; F306-V310 HydrophobicContact CZ-CG2 4.05Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.2Å; V307-V310 PolarHBondContact O-N 3Å; V310-R312 VanDerWaalsContact C-N 3.35Å; V310-R312 PolarHBondContact O-N 2.89Å; V310-G314 VanDerWaalsContact O-CA 3.26Å; V310-G314 WeakPolarHBondContact O-CA 3.39Å; V310-G314 PolarHBondContact O-N 3.38Å; V310-L315 HydrophobicContact CG1-CD2 4.17Å; V310-V317 HydrophobicContact CG2-CG1 4.1Å; V310-V317 HydrophobicContact CG2-CG2 3.87Å |
| 311 | L | 91.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 35.6 Ų | 35.6 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -35.6 | 177.1 | -73 | 173.8 | 0 | 0 | 0 | 112.7 | L46 L49 V50 V307 | L46-L311 HydrophobicContact CD1-CD2 3.64Å; L49-L311 HydrophobicContact CB-CD2 3.71Å; L49-L311 HydrophobicContact CB-CG 4.12Å; L49-L311 HydrophobicContact CD1-CD2 4.41Å; V50-L311 HydrophobicContact CG2-CD2 3.96Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 4.36Å; V307-L311 WeakPolarHBondContact O-CB 3.25Å; V307-L311 VanDerWaalsContact O-CG 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.33Å; V307-L311 PolarHBondContact O-N 3.31Å |
| 312 | R | 91 | Very high | 92.4 | Very high | 68 Ų | 68 | 35.4 Ų | 35.4 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -85.9 | -40 | -179.6 | -72.7 | -173.4 | -177.9 | -137.5 | 5.1 | 114.1 | E308 S309 V310 Y374 Y376 | E308-R312 WeakPolarHBondContact O-CB 3.41Å; E308-R312 WeakPolarHBondContact O-CG 3.24Å; E308-R312 PolarHBondContact O-N 3.44Å; S309-R312 PolarHBondContact O-N 2.92Å; V310-R312 VanDerWaalsContact C-N 3.35Å; V310-R312 PolarHBondContact O-N 2.89Å; R312-Y374 PolarHBondContact NH1-O 3.42Å; R312-Y376 PolarHBondContact NH1-O 3.41Å |
| 313 | Y | 91.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -103.7 | -10.5 | -171 | -48.1 | -38.8 | 0 | 0 | 0 | 113.2 | S9 P11 S309 F319 L346 V377 | S9-Y313 PolarHBondContact O-OH 3.05Å; P11-Y313 HydrophobicContact CB-CD1 4.17Å; P11-Y313 HydrophobicContact CB-CD2 4.29Å; P11-Y313 HydrophobicContact CB-CG 3.99Å; P11-Y313 HydrophobicContact CG-CD1 4.16Å; P11-Y313 HydrophobicContact CG-CE1 4.3Å; P11-Y313 HydrophobicContact CG-CG 4.46Å; S309-Y313 VanDerWaalsContact O-CB 3.27Å; S309-Y313 WeakPolarHBondContact O-CB 3.48Å; S309-Y313 VanDerWaalsContact O-CD2 3.26Å; S309-Y313 WeakPolarHBondContact O-CD2 3.36Å; S309-Y313 PolarHBondContact O-N 2.82Å; Y313-F319 HydrophobicContact CD2-CB 3.88Å; Y313-F319 HydrophobicContact CE2-CB 4.22Å; Y313-L346 HydrophobicContact CE1-CD1 4.15Å; Y313-V377 HydrophobicContact CE2-CG2 4.23Å; Y313-V377 PolarHBondContact OH-N 3.38Å; Y313-V377 VanDerWaalsContact OH-N 3.15Å |
| 314 | G | 89.8 | Confident | 92.7 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | trans | 74.7 | -160.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V310 | V310-G314 VanDerWaalsContact O-CA 3.26Å; V310-G314 WeakPolarHBondContact O-CA 3.39Å; V310-G314 PolarHBondContact O-N 3.38Å | ||
| 315 | L | 87.7 | Confident | 92.7 | Very high | 121 Ų | 121 | 33 Ų | 33 | 63% | 0.634 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -111.6 | 149.1 | 179 | -67.2 | 177.4 | 0 | 0 | 0 | 110.7 | V43 V310 V317 | V43-L315 HydrophobicContact CG1-CD2 4.33Å; V43-L315 HydrophobicContact CG2-CD2 4.25Å; V310-L315 HydrophobicContact CG1-CD2 4.17Å; L315-V317 HydrophobicContact CD2-CG2 3.54Å |
| 316 | P | 90 | Very high | 92.6 | Very high | 112 Ų | 112 | 33.1 Ų | 33.1 | 73% | 0.727 | 18% | 0.18 | S | C | * | . | S | Bend | cis | -67.2 | 153.8 | -1.2 | 30.2 | -36.3 | 0 | 0 | 0 | 112.6 | N318 | P316-N318 PolarHBondContact O-N 2.83Š|
| 317 | V | 89.8 | Confident | 92.5 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 32% | 0.321 | 20% | 0.197 | S | C | . | . | trans | -63 | 104.4 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 109 | V43 F306 V310 L315 F319 | V43-V317 HydrophobicContact CG2-CG2 3.64Å; F306-V317 HydrophobicContact CE2-CG1 3.98Å; F306-V317 HydrophobicContact CZ-CG2 4.49Å; V310-V317 HydrophobicContact CG2-CG1 4.1Å; V310-V317 HydrophobicContact CG2-CG2 3.87Å; L315-V317 HydrophobicContact CD2-CG2 3.54Å; V317-F319 HydrophobicContact CG1-CD1 3.69Å; V317-F319 HydrophobicContact CG1-CE1 3.39Å; V317-F319 HydrophobicContact CG1-CZ 4.46Å | ||
| 318 | N | 92.2 | Very high | 92.3 | Very high | 63 Ų | 63 | 43 Ų | 43 | 34% | 0.337 | 23% | 0.225 | S | C | . | . | trans | -143.7 | 85.5 | -175.7 | 178.5 | 25.5 | 0 | 0 | 0 | 109.9 | G12 C16 P316 | G12-N318 PolarHBondContact N-O 3.18Å; G12-N318 PolarHBondContact O-ND2 2.97Å; C16-N318 PolarHBondContact SG-OD1 3.42Å; P316-N318 PolarHBondContact O-N 2.83Å | ||
| 319 | F | 94.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.6 | 178.5 | 67.5 | -101.2 | 0 | 0 | 0 | 110.9 | S9 A10 C16 I38 V305 F306 Y313 V317 A321 | S9-F319 WeakPolarHBondContact OG-CD2 3.45Å; A10-F319 CarbonylContact O-C 3.59Å; A10-F319 WeakPolarHBondContact O-CA 3.49Å; A10-F319 WeakPolarHBondContact O-CB 3.45Å; C16-F319 PolarHBondContact SG-O 3.41Å; I38-F319 HydrophobicContact CD1-CE2 4.12Å; I38-F319 HydrophobicContact CD1-CZ 4.39Å; V305-F319 HydrophobicContact CG1-CE2 4.43Å; F306-F319 HydrophobicContact CB-CZ 4.45Å; F306-F319 HydrophobicContact CD2-CE1 4.06Å; F306-F319 AromaticContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CD2-CZ 3.87Å; F306-F319 HydrophobicContact CE2-CE1 4.48Å; Y313-F319 HydrophobicContact CD2-CB 3.88Å; Y313-F319 HydrophobicContact CE2-CB 4.22Å; V317-F319 HydrophobicContact CG1-CD1 3.69Å; V317-F319 HydrophobicContact CG1-CE1 3.39Å; V317-F319 HydrophobicContact CG1-CZ 4.46Å; F319-A321 HydrophobicContact CD2-CB 4.47Å; F319-A321 HydrophobicContact CE2-CB 4.24Å |
| 320 | Q | 95.4 | Very high | 91.7 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 12% | 0.121 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 110.2 | 173.5 | 179.4 | 61.1 | 72.9 | 0 | 0 | 109.5 | A10 C16 T19 W20 | A10-Q320 PolarHBondContact N-O 3.45Å; A10-Q320 PolarHBondContact O-N 3.19Å; C16-Q320 HydrophobicContact CB-CB 4.01Å; C16-Q320 PolarHBondContact O-OE1 2.88Å; T19-Q320 HydrophobicContact CG2-CB 4.22Å; W20-Q320 HydrophobicContact CB-CG 3.99Å |
| 321 | A | 96 | Very high | 91.6 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 140.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I8 F36 I38 V305 F319 | I8-A321 CarbonylContact O-C 3.55Å; I8-A321 VanDerWaalsContact O-CA 3.27Å; I8-A321 WeakPolarHBondContact O-CA 3.16Å; F36-A321 HydrophobicContact CB-CB 4.16Å; F36-A321 HydrophobicContact CD1-CB 4.39Å; F36-A321 PolarHBondContact N-O 3.2Å; F36-A321 VanDerWaalsContact N-O 3.08Å; I38-A321 HydrophobicContact CD1-CB 4.03Å; I38-A321 HydrophobicContact CG1-CB 4.48Å; V305-A321 HydrophobicContact CG1-CB 3.98Å; F319-A321 HydrophobicContact CD2-CB 4.47Å; F319-A321 HydrophobicContact CE2-CB 4.24Å |
| 322 | A | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 140.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | I8 W20 L23 H34 L324 | I8-A322 HydrophobicContact CG1-CB 4.13Å; I8-A322 PolarHBondContact N-O 3.42Å; I8-A322 PolarHBondContact O-N 2.73Å; W20-A322 HydrophobicContact CE3-CB 4.23Å; W20-A322 HydrophobicContact CZ3-CB 3.86Å; L23-A322 HydrophobicContact CD2-CB 3.41Å; L23-A322 VanDerWaalsContact CD2-CB 3.41Å; H34-A322 CarbonylContact O-C 3.53Å; H34-A322 WeakPolarHBondContact O-CA 3.44Å; A322-L324 HydrophobicContact CB-CD1 3.85Å |
| 323 | L | 95.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.1 | 171.9 | -171.9 | 84.2 | 0 | 0 | 0 | 108.6 | Y5 W6 L7 N33 H34 F36 V119 T120 I381 | Y5-L323 HydrophobicContact CD1-CD2 3.72Å; Y5-L323 HydrophobicContact CD1-CG 4.09Å; Y5-L323 HydrophobicContact CE1-CD2 4.36Å; Y5-L323 HydrophobicContact CG-CD1 4.49Å; Y5-L323 HydrophobicContact CG-CD2 4.36Å; W6-L323 CarbonylContact O-C 3.59Å; W6-L323 WeakPolarHBondContact O-CA 3.43Å; L7-L323 HydrophobicContact CB-CD1 4.18Å; L7-L323 HydrophobicContact CD1-CD1 4.29Å; N33-L323 CarbonylContact C-O 3.52Å; N33-L323 WeakPolarHBondContact CA-O 3.19Å; H34-L323 HydrophobicContact CB-CB 4.36Å; H34-L323 PolarHBondContact N-O 3.19Å; H34-L323 PolarHBondContact O-N 2.79Å; F36-L323 HydrophobicContact CD2-CB 4.46Å; V119-L323 HydrophobicContact CB-CD2 4.46Å; V119-L323 HydrophobicContact CG1-CD1 3.93Å; V119-L323 HydrophobicContact CG1-CD2 3.63Å; V119-L323 HydrophobicContact CG1-CG 4.42Å; T120-L323 HydrophobicContact CG2-CD2 4.02Å; L323-I381 HydrophobicContact CD1-CD1 4.02Å |
| 324 | L | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.9 | 176.9 | -71.1 | 67.9 | 0 | 0 | 0 | 108.8 | Y5 W6 I8 L23 N33 A322 L335 L339 | Y5-L324 CarbonylContact C-O 3.58Å; Y5-L324 WeakPolarHBondContact CA-O 3.45Å; W6-L324 HydrophobicContact CB-CB 4.32Å; W6-L324 PolarHBondContact N-O 3.2Å; W6-L324 PolarHBondContact O-N 3.08Å; I8-L324 HydrophobicContact CD1-CD1 3.57Å; I8-L324 HydrophobicContact CD1-CD2 4.15Å; I8-L324 HydrophobicContact CG1-CD1 3.65Å; L23-L324 HydrophobicContact CD1-CD2 4.39Å; L23-L324 HydrophobicContact CD2-CD1 4.19Å; N33-L324 WeakPolarHBondContact OD1-CG 3.3Å; A322-L324 HydrophobicContact CB-CD1 3.85Å; L324-L335 HydrophobicContact CD2-CD1 4.4Å; L324-L339 HydrophobicContact CD2-CD1 4.08Å; L324-L339 HydrophobicContact CD2-CD2 4.27Å |
| 325 | Q | 93.3 | Very high | 92 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 16% | 0.164 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 106.1 | 169.2 | -172.8 | 178.9 | 16.5 | 0 | 0 | 108.5 | N2 Y5 S31 V32 N327 | N2-Q325 PolarHBondContact O-NE2 3.42Å; Y5-Q325 HydrophobicContact CD1-CB 3.81Å; Y5-Q325 HydrophobicContact CD1-CG 4.02Å; Y5-Q325 HydrophobicContact CE1-CB 3.89Å; Y5-Q325 HydrophobicContact CE1-CG 3.81Å; Y5-Q325 PolarHBondContact OH-NE2 3.15Å; S31-Q325 CarbonylContact C-O 3.59Å; S31-Q325 WeakPolarHBondContact CA-O 3.33Å; S31-Q325 VanDerWaalsContact CB-O 3.26Å; S31-Q325 WeakPolarHBondContact CB-O 3.46Å; V32-Q325 HydrophobicContact CB-CB 4.42Å; V32-Q325 PolarHBondContact N-O 2.99Å; V32-Q325 PolarHBondContact O-N 2.79Å; Q325-N327 PolarHBondContact O-N 3.39Å |
| 326 | P | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 129.3 | 176.9 | -22.5 | 33 | 0 | 0 | 0 | 111.1 | N2 E4 W6 K328 L335 | N2-P326 PolarHBondContact ND2-O 3.23Å; E4-P326 WeakPolarHBondContact O-CD 3.08Å; W6-P326 HydrophobicContact CD2-CG 3.88Å; W6-P326 HydrophobicContact CE3-CG 4.18Å; W6-P326 HydrophobicContact CG-CG 4.49Å; W6-P326 HydrophobicContact CH2-CG 4.24Å; W6-P326 HydrophobicContact CZ2-CG 4.01Å; W6-P326 HydrophobicContact CZ3-CG 4.34Å; P326-K328 PolarHBondContact O-N 3.13Å; P326-L335 HydrophobicContact CB-CD2 4.24Å; P326-L335 HydrophobicContact CG-CD2 4.1Å |
| 327 | N | 90.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -57.8 | -38.9 | -175.4 | -73.3 | -20.6 | 0 | 0 | 0 | 112.2 | D29 L30 Q325 | D29-N327 PolarHBondContact O-ND2 2.8Å; D29-N327 VanDerWaalsContact O-ND2 3.14Å; L30-N327 VanDerWaalsContact C-ND2 3.32Å; L30-N327 WeakPolarHBondContact O-CB 3.24Å; L30-N327 PolarHBondContact O-N 3.4Å; L30-N327 PolarHBondContact O-ND2 2.9Å; Q325-N327 PolarHBondContact O-N 3.39Å |
| 328 | K | 86.9 | Confident | 92.7 | Very high | 146 Ų | 146 | 57.9 Ų | 57.9 | 64% | 0.635 | 28% | 0.277 | S | S | * | . | trans | -147.2 | 150.2 | 178.9 | -61.5 | -178.8 | -177 | 175.3 | 0 | 110.1 | P326 A330 V331 T332 | P326-K328 PolarHBondContact O-N 3.13Å; K328-A330 PolarHBondContact O-N 2.79Å; K328-A330 VanDerWaalsContact O-N 3.11Å; K328-V331 VanDerWaalsContact O-CG2 3.24Å; K328-V331 WeakPolarHBondContact O-CG2 3.3Å; K328-V331 PolarHBondContact O-N 2.87Å; K328-V331 VanDerWaalsContact O-N 3.09Å; K328-T332 PolarHBondContact O-OG1 2.82Å | ||
| 329 | R | 84.7 | Confident | 92.9 | Very high | 210 Ų | 210 | 54.9 Ų | 54.9 | 79% | 0.792 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.8 | 173.9 | -170 | 175.2 | 178.9 | 180 | 1 | 114.1 | T332 | R329-T332 VanDerWaalsContact C-OG1 3.24Å; R329-T332 WeakPolarHBondContact CA-OG1 3.29Å; R329-T332 WeakPolarHBondContact O-CB 3.4Å; R329-T332 PolarHBondContact O-OG1 3.03Å |
| 330 | A | 87.9 | Confident | 92.8 | Very high | 92 Ų | 92 | 56 Ų | 56 | 76% | 0.76 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | K328 | K328-A330 PolarHBondContact O-N 2.79Å; K328-A330 VanDerWaalsContact O-N 3.11Å |
| 331 | V | 90.6 | Very high | 92.7 | Very high | 37 Ų | 37 | 62 Ų | 62 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.7 | -177.2 | -53.7 | 0 | 0 | 0 | 0 | 113 | L30 K328 K333 R334 L335 | L30-V331 HydrophobicContact CB-CG2 4.43Å; L30-V331 HydrophobicContact CD2-CB 4.19Å; L30-V331 HydrophobicContact CD2-CG1 4.46Å; L30-V331 WeakPolarHBondContact O-CG2 3.42Å; K328-V331 VanDerWaalsContact O-CG2 3.24Å; K328-V331 WeakPolarHBondContact O-CG2 3.3Å; K328-V331 PolarHBondContact O-N 2.87Å; K328-V331 VanDerWaalsContact O-N 3.09Å; V331-K333 VanDerWaalsContact C-N 3.31Å; V331-K333 PolarHBondContact O-N 2.63Å; V331-R334 PolarHBondContact O-N 2.9Å; V331-R334 VanDerWaalsContact O-N 3.12Å; V331-L335 PolarHBondContact O-N 3.37Å |
| 332 | T | 91.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 62.6 Ų | 62.6 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.1 | -42.4 | -176.8 | -49.3 | 0 | 0 | 0 | 0 | 112.9 | W6 K328 R329 L335 K336 | W6-T332 HydrophobicContact CH2-CG2 3.33Å; W6-T332 WeakPolarHBondContact CH2-O 3.13Å; W6-T332 HydrophobicContact CZ2-CG2 3.07Å; K328-T332 PolarHBondContact O-OG1 2.82Å; R329-T332 VanDerWaalsContact C-OG1 3.24Å; R329-T332 WeakPolarHBondContact CA-OG1 3.29Å; R329-T332 WeakPolarHBondContact O-CB 3.4Å; R329-T332 PolarHBondContact O-OG1 3.03Å; T332-L335 PolarHBondContact O-N 3.27Å; T332-K336 WeakPolarHBondContact O-CG 3.14Å; T332-K336 PolarHBondContact O-N 2.9Å; T332-K336 VanDerWaalsContact O-N 3.09Å |
| 333 | K | 92.1 | Very high | 92.5 | Very high | 154 Ų | 154 | 62.9 Ų | 62.9 | 67% | 0.67 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.7 | -50.5 | 176.3 | -175 | -179 | 177.4 | -177.5 | 0 | 111.5 | V331 L335 K336 D337 | V331-K333 VanDerWaalsContact C-N 3.31Å; V331-K333 PolarHBondContact O-N 2.63Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.25Å; K333-K336 WeakPolarHBondContact O-CB 3.48Å; K333-K336 PolarHBondContact O-N 3.37Å; K333-K336 VanDerWaalsContact O-N 3.12Å; K333-D337 VanDerWaalsContact O-CG 3.29Å; K333-D337 PolarHBondContact O-N 3.39Å |
| 334 | R | 94 | Very high | 92.3 | Very high | 162 Ų | 162 | 65.1 Ų | 65.1 | 61% | 0.611 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -38.9 | 179 | -174.9 | 178.9 | 174.3 | 175.2 | -4.8 | 111.9 | L30 V331 D337 L338 | L30-R334 HydrophobicContact CD1-CB 4.35Å; L30-R334 HydrophobicContact CD1-CG 3.87Å; V331-R334 PolarHBondContact O-N 2.9Å; V331-R334 VanDerWaalsContact O-N 3.12Å; R334-D337 PolarHBondContact O-N 3.09Å; R334-L338 WeakPolarHBondContact O-CB 3.39Å; R334-L338 PolarHBondContact O-N 3.36Å |
| 335 | L | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.4 | -179.1 | 58.6 | 0 | 0 | 0 | 111.8 | W6 T27 L30 L324 P326 V331 T332 K333 L338 L339 | W6-L335 HydrophobicContact CE3-CD2 3.82Å; W6-L335 HydrophobicContact CE3-CG 4.3Å; W6-L335 HydrophobicContact CH2-CB 4.47Å; W6-L335 HydrophobicContact CH2-CD2 4.21Å; W6-L335 HydrophobicContact CH2-CG 4.46Å; W6-L335 HydrophobicContact CZ3-CB 4.07Å; W6-L335 HydrophobicContact CZ3-CD2 3.43Å; W6-L335 VanDerWaalsContact CZ3-CD2 3.43Å; W6-L335 HydrophobicContact CZ3-CG 3.62Å; T27-L335 HydrophobicContact CG2-CD1 3.6Å; L30-L335 HydrophobicContact CB-CB 4.3Å; L30-L335 HydrophobicContact CB-CD1 4.07Å; L30-L335 HydrophobicContact CD1-CB 4.24Å; L30-L335 HydrophobicContact CD1-CD1 4.42Å; L324-L335 HydrophobicContact CD2-CD1 4.4Å; P326-L335 HydrophobicContact CB-CD2 4.24Å; P326-L335 HydrophobicContact CG-CD2 4.1Å; V331-L335 PolarHBondContact O-N 3.37Å; T332-L335 PolarHBondContact O-N 3.27Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.25Å; L335-L338 PolarHBondContact O-N 3.26Å; L335-L339 HydrophobicContact CD1-CD1 4.35Å; L335-L339 HydrophobicContact CD1-CG 4.37Å; L335-L339 HydrophobicContact CG-CD1 4.21Å; L335-L339 WeakPolarHBondContact O-CG 3.4Å; L335-L339 PolarHBondContact O-N 3.33Å |
| 336 | K | 94 | Very high | 91.8 | Very high | 35 Ų | 35 | 69 Ų | 69 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 173.5 | -74.1 | 173.5 | 173.6 | -166.3 | 0 | 111.9 | W6 T332 K333 L338 L339 N340 E372 Y374 | W6-K336 HydrophobicContact CH2-CD 4.2Å; W6-K336 HydrophobicContact CH2-CG 3.61Å; W6-K336 HydrophobicContact CZ2-CG 4.45Å; W6-K336 HydrophobicContact CZ3-CG 3.95Å; T332-K336 WeakPolarHBondContact O-CG 3.14Å; T332-K336 PolarHBondContact O-N 2.9Å; T332-K336 VanDerWaalsContact O-N 3.09Å; K333-K336 WeakPolarHBondContact O-CB 3.48Å; K333-K336 PolarHBondContact O-N 3.37Å; K333-K336 VanDerWaalsContact O-N 3.12Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 3.23Å; K336-L339 PolarHBondContact O-N 3.28Å; K336-N340 WeakPolarHBondContact O-CB 3.47Å; K336-N340 PolarHBondContact O-N 2.85Å; K336-E372 IonicContact NZ-OE1 2.73Å; K336-E372 PolarHBondContact NZ-OE1 3.36Å; K336-E372 IonicContact NZ-OE2 3.79Å; K336-E372 PolarHBondContact NZ-OE2 2.82Å; K336-Y374 HydrophobicContact CB-CE1 4.41Å; K336-Y374 HydrophobicContact CD-CE1 4.25Å; K336-Y374 VanDerWaalsContact CD-OH 3.31Å; K336-Y374 WeakPolarHBondContact CD-OH 3.19Å; K336-Y374 WeakPolarHBondContact CE-OH 3.46Å; K336-Y374 HydrophobicContact CG-CE1 4.14Å; K336-Y374 PolarHBondContact NZ-OH 2.88Å |
| 337 | D | 93.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 71.7 Ų | 71.7 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 178.8 | -63 | -24.4 | 0 | 0 | 0 | 110.9 | K333 R334 N340 Q341 | K333-D337 VanDerWaalsContact O-CG 3.29Å; K333-D337 PolarHBondContact O-N 3.39Å; R334-D337 PolarHBondContact O-N 3.09Å; D337-N340 PolarHBondContact O-N 2.94Å; D337-Q341 WeakPolarHBondContact O-CB 3.34Å; D337-Q341 PolarHBondContact O-N 2.76Å |
| 338 | L | 95.3 | Very high | 89.8 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 22% | 0.22 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 179.1 | -163.5 | 74 | 0 | 0 | 0 | 112.8 | T26 T27 L30 R334 L335 K336 Q341 L342 | T26-L338 HydrophobicContact CG2-CD1 4.08Å; T26-L338 HydrophobicContact CG2-CD2 3.52Å; T26-L338 HydrophobicContact CG2-CG 3.54Å; T26-L338 WeakPolarHBondContact O-CD2 3.3Å; T27-L338 HydrophobicContact CG2-CD2 4.22Å; L30-L338 HydrophobicContact CD1-CD2 4.15Å; R334-L338 WeakPolarHBondContact O-CB 3.39Å; R334-L338 PolarHBondContact O-N 3.36Å; L335-L338 PolarHBondContact O-N 3.26Å; K336-L338 VanDerWaalsContact C-N 3.26Å; K336-L338 PolarHBondContact O-N 3.23Å; L338-Q341 PolarHBondContact O-N 2.96Å; L338-L342 WeakPolarHBondContact O-CB 3.29Å; L338-L342 PolarHBondContact O-N 3.44Å |
| 339 | L | 95.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.9 | -72.4 | 169.2 | 0 | 0 | 0 | 111.6 | W6 I8 L23 T27 L324 L335 K336 L342 Y343 Y376 | W6-L339 HydrophobicContact CE3-CD1 4.36Å; W6-L339 HydrophobicContact CZ3-CD1 4.35Å; I8-L339 HydrophobicContact CD1-CD2 3.9Å; L23-L339 HydrophobicContact CD1-CD2 3.55Å; T27-L339 HydrophobicContact CG2-CD2 3.88Å; T27-L339 HydrophobicContact CG2-CG 4.34Å; L324-L339 HydrophobicContact CD2-CD1 4.08Å; L324-L339 HydrophobicContact CD2-CD2 4.27Å; L335-L339 HydrophobicContact CD1-CD1 4.35Å; L335-L339 HydrophobicContact CD1-CG 4.37Å; L335-L339 HydrophobicContact CG-CD1 4.21Å; L335-L339 WeakPolarHBondContact O-CG 3.4Å; L335-L339 PolarHBondContact O-N 3.33Å; K336-L339 PolarHBondContact O-N 3.28Å; L339-L342 PolarHBondContact O-N 2.99Å; L339-Y343 HydrophobicContact CD2-CE2 4.06Å; L339-Y343 WeakPolarHBondContact O-CD2 3.16Å; L339-Y343 PolarHBondContact O-N 3.43Å; L339-Y376 HydrophobicContact CB-CE1 3.67Å; L339-Y376 VanDerWaalsContact CB-OH 3.27Å; L339-Y376 WeakPolarHBondContact CB-OH 3.49Å; L339-Y376 HydrophobicContact CD1-CE2 4.43Å; L339-Y376 WeakPolarHBondContact CD1-OH 3.47Å |
| 340 | N | 93.1 | Very high | 86.4 | Confident | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.2 | -81.1 | -22.5 | 0 | 0 | 0 | 111.1 | K336 D337 L342 Y343 A344 Y374 P375 | K336-N340 WeakPolarHBondContact O-CB 3.47Å; K336-N340 PolarHBondContact O-N 2.85Å; D337-N340 PolarHBondContact O-N 2.94Å; N340-L342 VanDerWaalsContact C-N 3.32Å; N340-L342 PolarHBondContact O-N 3.48Å; N340-Y343 PolarHBondContact O-N 3.39Å; N340-A344 WeakPolarHBondContact O-CA 3.42Å; N340-A344 VanDerWaalsContact O-CB 3.25Å; N340-A344 WeakPolarHBondContact O-CB 3.4Å; N340-A344 PolarHBondContact O-N 3.19Å; N340-Y374 WeakPolarHBondContact OD1-CD1 3.43Å; N340-P375 VanDerWaalsContact OD1-CD 3.24Å; N340-P375 WeakPolarHBondContact OD1-CD 3.44Å |
| 341 | Q | 93.1 | Very high | 84.1 | Confident | 153 Ų | 153 | 65 Ų | 65 | 72% | 0.715 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 175.5 | -173.3 | 179.1 | 12.2 | 0 | 0 | 111.9 | D337 L338 Y343 | D337-Q341 WeakPolarHBondContact O-CB 3.34Å; D337-Q341 PolarHBondContact O-N 2.76Å; L338-Q341 PolarHBondContact O-N 2.96Å; Q341-Y343 VanDerWaalsContact C-N 3.31Å; Q341-Y343 PolarHBondContact O-N 3.04Å |
| 342 | L | 93.8 | Very high | 81.5 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | -178.7 | -177.2 | 60.8 | 0 | 0 | 0 | 112.4 | R22 L23 T26 L338 L339 N340 Y345 | R22-L342 HydrophobicContact CG-CD1 3.97Å; R22-L342 VanDerWaalsContact NE-CD1 3.34Å; L23-L342 HydrophobicContact CD1-CD2 4.39Å; T26-L342 HydrophobicContact CG2-CD2 4.27Å; L338-L342 WeakPolarHBondContact O-CB 3.29Å; L338-L342 PolarHBondContact O-N 3.44Å; L339-L342 PolarHBondContact O-N 2.99Å; N340-L342 VanDerWaalsContact C-N 3.32Å; N340-L342 PolarHBondContact O-N 3.48Å; L342-Y345 WeakPolarHBondContact O-CE1 3.29Å |
| 343 | Y | 94.2 | Very high | 78.5 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -114 | 9.2 | -172.3 | -62.5 | -57 | 0 | 0 | 0 | 114.6 | A10 L23 L339 N340 Q341 Y345 L346 P375 Y376 | A10-Y343 HydrophobicContact CB-CD1 3.99Å; A10-Y343 HydrophobicContact CB-CE1 3.36Å; A10-Y343 HydrophobicContact CB-CE2 4.17Å; A10-Y343 VanDerWaalsContact CB-CZ 3.46Å; L23-Y343 HydrophobicContact CD1-CE2 4.42Å; L339-Y343 HydrophobicContact CD2-CE2 4.06Å; L339-Y343 WeakPolarHBondContact O-CD2 3.16Å; L339-Y343 PolarHBondContact O-N 3.43Å; N340-Y343 PolarHBondContact O-N 3.39Å; Q341-Y343 VanDerWaalsContact C-N 3.31Å; Q341-Y343 PolarHBondContact O-N 3.04Å; Y343-Y345 HydrophobicContact CD1-CE1 4.1Å; Y343-Y345 PolarHBondContact O-N 3.17Å; Y343-L346 HydrophobicContact CD1-CD1 4.24Å; Y343-L346 HydrophobicContact CG-CD1 4.37Å; Y343-L346 WeakPolarHBondContact O-CB 3.23Å; Y343-L346 WeakPolarHBondContact O-CG 3.44Å; Y343-L346 PolarHBondContact O-N 2.82Å; Y343-P375 VanDerWaalsContact O-CB 3.29Å; Y343-P375 WeakPolarHBondContact O-CB 3.49Å; Y343-Y376 AromaticContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CE1 4.19Å; Y343-Y376 AromaticContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CG-CD1 4.08Å; Y343-Y376 HydrophobicContact CG-CG 4.44Å |
| 344 | A | 91.5 | Very high | 75.4 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N340 L346 D347 | N340-A344 WeakPolarHBondContact O-CA 3.42Å; N340-A344 VanDerWaalsContact O-CB 3.25Å; N340-A344 WeakPolarHBondContact O-CB 3.4Å; N340-A344 PolarHBondContact O-N 3.19Å; A344-L346 PolarHBondContact O-N 3.43Å; A344-D347 PolarHBondContact O-N 3.24Å |
| 345 | Y | 90.3 | Very high | 72.3 | Confident | 89 Ų | 89 | 68.1 Ų | 68.1 | 35% | 0.349 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.1 | -20.9 | 178.5 | 70.8 | -85.5 | 0 | 0 | 0 | 113.4 | E13 L342 Y343 D347 V348 | E13-Y345 PolarHBondContact OE1-OH 2.73Å; L342-Y345 WeakPolarHBondContact O-CE1 3.29Å; Y343-Y345 HydrophobicContact CD1-CE1 4.1Å; Y343-Y345 PolarHBondContact O-N 3.17Å; Y345-D347 VanDerWaalsContact C-N 3.32Å; Y345-V348 PolarHBondContact O-N 3.44Å |
| 346 | L | 88.4 | Confident | 69.4 | Low | 26 Ų | 26 | 75.7 Ų | 75.7 | 14% | 0.136 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.9 | -28.7 | 178.4 | -60.6 | 178.9 | 0 | 0 | 0 | 112.5 | P11 Y313 Y343 A344 V348 G349 P375 | P11-L346 HydrophobicContact CG-CD1 4.24Å; P11-L346 HydrophobicContact CG-CD2 3.55Å; Y313-L346 HydrophobicContact CE1-CD1 4.15Å; Y343-L346 HydrophobicContact CD1-CD1 4.24Å; Y343-L346 HydrophobicContact CG-CD1 4.37Å; Y343-L346 WeakPolarHBondContact O-CB 3.23Å; Y343-L346 WeakPolarHBondContact O-CG 3.44Å; Y343-L346 PolarHBondContact O-N 2.82Å; A344-L346 PolarHBondContact O-N 3.43Å; L346-V348 VanDerWaalsContact C-N 3.28Å; L346-V348 PolarHBondContact O-N 3.4Å; L346-G349 PolarHBondContact O-N 3.27Å; L346-P375 HydrophobicContact CB-CB 4.12Å; L346-P375 WeakPolarHBondContact CB-O 3.3Å |
| 347 | D | 79.2 | Confident | 66.4 | Low | 59 Ų | 59 | 82.2 Ų | 82.2 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.3 | -31.9 | 177.3 | -81.1 | -5 | 0 | 0 | 0 | 112 | A344 Y345 G349 N350 Y373 P375 | A344-D347 PolarHBondContact O-N 3.24Å; Y345-D347 VanDerWaalsContact C-N 3.32Å; D347-G349 VanDerWaalsContact C-N 3.29Å; D347-G349 PolarHBondContact O-N 2.87Å; D347-N350 PolarHBondContact O-N 2.97Å; D347-Y373 WeakPolarHBondContact OD1-CE1 3.26Å; D347-Y373 PolarHBondContact OD1-OH 3.49Å; D347-P375 VanDerWaalsContact OD1-CA 3.23Å; D347-P375 WeakPolarHBondContact OD1-CA 3.47Å; D347-P375 VanDerWaalsContact OD1-CB 3.29Å; D347-P375 WeakPolarHBondContact OD1-CB 3.44Å |
| 348 | V | 61.8 | Low | 63.8 | Low | 112 Ų | 112 | 83.1 Ų | 83.1 | 68% | 0.679 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.2 | -25.5 | -177 | -160.1 | 0 | 0 | 0 | 0 | 111.3 | Y345 L346 | Y345-V348 PolarHBondContact O-N 3.44Å; L346-V348 VanDerWaalsContact C-N 3.28Å; L346-V348 PolarHBondContact O-N 3.4Å |
| 349 | G | 51.8 | Low | 61 | Low | 56 Ų | 56 | 84.2 Ų | 84.2 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -81.4 | -27.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L346 D347 M351 | L346-G349 PolarHBondContact O-N 3.27Å; D347-G349 VanDerWaalsContact C-N 3.29Å; D347-G349 PolarHBondContact O-N 2.87Å; G349-M351 VanDerWaalsContact C-N 3.29Å; G349-M351 PolarHBondContact O-N 3.5Å |
| 350 | N | 48.2 | Very low | 58.5 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3.9 | 178.8 | -101 | 35.5 | 0 | 0 | 0 | 113.7 | D347 | D347-N350 PolarHBondContact O-N 2.97Š|
| 351 | M | 39 | Very low | 56.1 | Low | 113 Ų | 113 | 94.2 Ų | 94.2 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | 42.6 | -176.2 | -80.9 | -88.7 | -159.5 | 0 | 0 | 112.1 | G349 M358 V362 | G349-M351 VanDerWaalsContact C-N 3.29Å; G349-M351 PolarHBondContact O-N 3.5Å; M351-M358 HydrophobicContact CE-CE 3.87Å; M351-M358 HydrophobicContact CG-CE 4.32Å; M351-M358 HydrophobicContact SD-CE 4.41Å; M351-V362 HydrophobicContact CE-CG1 3.55Å |
| 352 | G | 36.8 | Very low | 53.8 | Low | 45 Ų | 45 | 88.7 Ų | 88.7 | 46% | 0.464 | 50% | 0.502 | S | S | . | . | trans | -174.3 | 128.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 353 | T | 27.3 | Very low | 51.3 | Low | 160 Ų | 160 | 91 Ų | 91 | 98% | 0.982 | 52% | 0.519 | S | S | * | . | S | Bend | -108.9 | 93.5 | 67.3 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | |||
| 354 | G | 28 | Very low | 48.6 | Very low | 52 Ų | 52 | 95.7 Ų | 95.7 | 54% | 0.536 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -178.4 | 117 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | F356 | G354-F356 VanDerWaalsContact C-N 3.33Å; G354-F356 PolarHBondContact O-N 3.32Å |
| 355 | N | 29 | Very low | 46.3 | Very low | 180 Ų | 180 | 99.7 Ų | 99.7 | 96% | 0.963 | 55% | 0.554 | S | S | * | * | trans | -55.9 | 96.1 | 173.5 | -78.6 | 4.3 | 0 | 0 | 0 | 109.3 | ||||
| 356 | F | 32.7 | Very low | 44.1 | Very low | 158 Ų | 158 | 99.5 Ų | 99.5 | 69% | 0.693 | 56% | 0.558 | S | S | * | * | trans | -116.8 | 111.2 | 162.6 | -147.5 | -96 | 0 | 0 | 0 | 106.4 | G354 M358 | G354-F356 VanDerWaalsContact C-N 3.33Å; G354-F356 PolarHBondContact O-N 3.32Å; F356-M358 PolarHBondContact O-N 2.79Å | ||
| 357 | E | 31.2 | Very low | 41.8 | Very low | 172 Ų | 172 | 102.6 Ų | 102.6 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | trans | -51.6 | 125 | 163.2 | -76.1 | 178.2 | 146.4 | 0 | 0 | 107.2 | T359 | E357-T359 PolarHBondContact O-N 2.93Š| ||
| 358 | M | 39.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 108.4 Ų | 108.4 | 53% | 0.532 | 61% | 0.605 | S | S | . | * | trans | -59.6 | 91.9 | 171.3 | -97.6 | -81.5 | 178.5 | 0 | 0 | 108.1 | M351 F356 V362 | M351-M358 HydrophobicContact CE-CE 3.87Å; M351-M358 HydrophobicContact CG-CE 4.32Å; M351-M358 HydrophobicContact SD-CE 4.41Å; F356-M358 PolarHBondContact O-N 2.79Å; M358-V362 HydrophobicContact CE-CG1 3.92Å; M358-V362 HydrophobicContact SD-CB 3.95Å; M358-V362 HydrophobicContact SD-CG1 3.88Å | ||
| 359 | T | 36.2 | Very low | 38.6 | Very low | 65 Ų | 65 | 105.2 Ų | 105.2 | 40% | 0.399 | 60% | 0.595 | S | S | . | * | trans | -69.8 | 144.8 | 168.5 | 46.3 | 0 | 0 | 0 | 0 | 108.3 | E357 D361 V362 | E357-T359 PolarHBondContact O-N 2.93Å; T359-D361 PolarHBondContact O-N 2.92Å; T359-V362 PolarHBondContact O-N 3.28Å | ||
| 360 | E | 42.6 | Very low | 38.2 | Very low | 149 Ų | 149 | 112.5 Ų | 112.5 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -48.9 | -24.2 | -179.9 | -79 | -169.4 | 157.3 | 0 | 0 | 113.8 | K364 | E360-K364 WeakPolarHBondContact O-CG 3.36Å; E360-K364 PolarHBondContact O-N 3.5Å; E360-K364 IonicContact OE2-NZ 2.77Å |
| 361 | D | 42.4 | Very low | 38.5 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 59% | 0.594 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.1 | -28.9 | -179.6 | -73.3 | -27.8 | 0 | 0 | 0 | 114 | T359 K364 L365 | T359-D361 PolarHBondContact O-N 2.92Å; D361-K364 PolarHBondContact O-N 2.9Å; D361-L365 WeakPolarHBondContact O-CB 3.27Å; D361-L365 PolarHBondContact O-N 3.43Å |
| 362 | V | 46.7 | Very low | 39.9 | Very low | 37 Ų | 37 | 116.3 Ų | 116.3 | 22% | 0.224 | 63% | 0.627 | C | S | . | * | H | α-helix | trans | -75.3 | -38.2 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | M351 M358 T359 K364 L365 L366 | M351-V362 HydrophobicContact CE-CG1 3.55Å; M358-V362 HydrophobicContact CE-CG1 3.92Å; M358-V362 HydrophobicContact SD-CB 3.95Å; M358-V362 HydrophobicContact SD-CG1 3.88Å; T359-V362 PolarHBondContact O-N 3.28Å; V362-K364 VanDerWaalsContact C-N 3.32Å; V362-L365 PolarHBondContact O-N 3.47Å; V362-L366 WeakPolarHBondContact O-CG 3.33Å; V362-L366 PolarHBondContact O-N 2.88Å; V362-L366 VanDerWaalsContact O-N 3.15Å |
| 363 | S | 40.6 | Very low | 42.1 | Very low | 62 Ų | 62 | 119 Ų | 119 | 43% | 0.434 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -35.3 | 170.5 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | S367 | S363-S367 WeakPolarHBondContact O-CB 3.37Å; S363-S367 PolarHBondContact O-N 2.95Å; S363-S367 PolarHBondContact O-OG 3.38Å |
| 364 | K | 38.2 | Very low | 45.2 | Very low | 104 Ų | 104 | 112 Ų | 112 | 45% | 0.452 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.8 | -40.1 | 172.7 | -76.5 | 171 | -172.7 | 158.8 | 0 | 112.1 | E360 D361 V362 L366 S367 F368 | E360-K364 WeakPolarHBondContact O-CG 3.36Å; E360-K364 PolarHBondContact O-N 3.5Å; E360-K364 IonicContact OE2-NZ 2.77Å; D361-K364 PolarHBondContact O-N 2.9Å; V362-K364 VanDerWaalsContact C-N 3.32Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 3.38Å; K364-S367 CarbonylContact O-C 3.58Å; K364-S367 WeakPolarHBondContact O-CA 3.33Å; K364-S367 WeakPolarHBondContact O-CB 3.31Å; K364-S367 PolarHBondContact O-N 3.37Å; K364-F368 WeakPolarHBondContact O-CD2 3.36Å; K364-F368 PolarHBondContact O-N 3.22Å |
| 365 | L | 43.2 | Very low | 48.2 | Very low | 133 Ų | 133 | 110 Ų | 110 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.9 | -39.5 | 179.1 | -156.9 | 80.7 | 0 | 0 | 0 | 112.4 | D361 V362 S367 F368 | D361-L365 WeakPolarHBondContact O-CB 3.27Å; D361-L365 PolarHBondContact O-N 3.43Å; V362-L365 PolarHBondContact O-N 3.47Å; L365-S367 PolarHBondContact O-N 3.12Å; L365-F368 PolarHBondContact O-N 3Å |
| 366 | L | 42.8 | Very low | 51.2 | Low | 85 Ų | 85 | 101.4 Ų | 101.4 | 45% | 0.445 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.2 | -21.4 | 173.1 | -66.5 | 170.3 | 0 | 0 | 0 | 112.8 | V362 K364 | V362-L366 WeakPolarHBondContact O-CG 3.33Å; V362-L366 PolarHBondContact O-N 2.88Å; V362-L366 VanDerWaalsContact O-N 3.15Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 3.38Å |
| 367 | S | 41.2 | Very low | 54.2 | Low | 92 Ų | 92 | 93.9 Ų | 93.9 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.4 | 177.2 | -58 | 0 | 0 | 0 | 0 | 114 | S363 K364 L365 G369 | S363-S367 WeakPolarHBondContact O-CB 3.37Å; S363-S367 PolarHBondContact O-N 2.95Å; S363-S367 PolarHBondContact O-OG 3.38Å; K364-S367 CarbonylContact O-C 3.58Å; K364-S367 WeakPolarHBondContact O-CA 3.33Å; K364-S367 WeakPolarHBondContact O-CB 3.31Å; K364-S367 PolarHBondContact O-N 3.37Å; L365-S367 PolarHBondContact O-N 3.12Å; S367-G369 VanDerWaalsContact C-N 3.31Å; S367-G369 PolarHBondContact O-N 2.87Å |
| 368 | F | 38.5 | Very low | 57.3 | Low | 180 Ų | 180 | 87.2 Ų | 87.2 | 79% | 0.789 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -78.3 | -11.7 | -179.3 | -96.5 | -80.2 | 0 | 0 | 0 | 114.3 | K364 L365 | K364-F368 WeakPolarHBondContact O-CD2 3.36Å; K364-F368 PolarHBondContact O-N 3.22Å; L365-F368 PolarHBondContact O-N 3Å |
| 369 | G | 35.1 | Very low | 59.9 | Low | 45 Ų | 45 | 82.6 Ų | 82.6 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -99.5 | 129.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | S367 Q371 | S367-G369 VanDerWaalsContact C-N 3.31Å; S367-G369 PolarHBondContact O-N 2.87Å; G369-Q371 PolarHBondContact O-N 2.89Å |
| 370 | Q | 42.8 | Very low | 62.6 | Low | 209 Ų | 209 | 84.1 Ų | 84.1 | 98% | 0.977 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -61.6 | 19.4 | 175.4 | -69.3 | -171.3 | -22.2 | 0 | 0 | 115 | ||
| 371 | Q | 54.4 | Low | 65 | Low | 173 Ų | 173 | 77 Ų | 77 | 81% | 0.808 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -91.7 | 123.9 | 176.4 | -75.8 | -174.1 | -12.1 | 0 | 0 | 109.9 | G369 Y373 | G369-Q371 PolarHBondContact O-N 2.89Å; Q371-Y373 PolarHBondContact O-N 3.33Å; Q371-Y373 VanDerWaalsContact O-N 3.08Å |
| 372 | E | 69.7 | Low | 67.3 | Low | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | trans | -57.7 | 112.6 | 171.7 | -64.2 | -179.5 | 147.6 | 0 | 0 | 109.3 | K336 Y374 | K336-E372 IonicContact NZ-OE1 2.73Å; K336-E372 PolarHBondContact NZ-OE1 3.36Å; K336-E372 IonicContact NZ-OE2 3.79Å; K336-E372 PolarHBondContact NZ-OE2 2.82Å; E372-Y374 HydrophobicContact CB-CD2 4.44Å; E372-Y374 HydrophobicContact CB-CE2 3.5Å; E372-Y374 WeakPolarHBondContact O-CD2 3.34Å; E372-Y374 WeakPolarHBondContact O-CE2 3.43Å; E372-Y374 PolarHBondContact OE2-OH 3.15Å | ||
| 373 | Y | 83.2 | Confident | 69.3 | Low | 102 Ų | 102 | 72.9 Ų | 72.9 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | trans | -82.8 | 137.6 | 175 | 179 | -94.1 | 0 | 0 | 0 | 110.5 | D347 Q371 | D347-Y373 WeakPolarHBondContact OD1-CE1 3.26Å; D347-Y373 PolarHBondContact OD1-OH 3.49Å; Q371-Y373 PolarHBondContact O-N 3.33Å; Q371-Y373 VanDerWaalsContact O-N 3.08Å | ||
| 374 | Y | 91 | Very high | 71.5 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | trans | -132.4 | 147.3 | 174.3 | -60.2 | -81.2 | 0 | 0 | 0 | 109.8 | R312 K336 N340 E372 Y376 F378 | R312-Y374 PolarHBondContact NH1-O 3.42Å; K336-Y374 HydrophobicContact CB-CE1 4.41Å; K336-Y374 HydrophobicContact CD-CE1 4.25Å; K336-Y374 VanDerWaalsContact CD-OH 3.31Å; K336-Y374 WeakPolarHBondContact CD-OH 3.19Å; K336-Y374 WeakPolarHBondContact CE-OH 3.46Å; K336-Y374 HydrophobicContact CG-CE1 4.14Å; K336-Y374 PolarHBondContact NZ-OH 2.88Å; N340-Y374 WeakPolarHBondContact OD1-CD1 3.43Å; E372-Y374 HydrophobicContact CB-CD2 4.44Å; E372-Y374 HydrophobicContact CB-CE2 3.5Å; E372-Y374 WeakPolarHBondContact O-CD2 3.34Å; E372-Y374 WeakPolarHBondContact O-CE2 3.43Å; E372-Y374 PolarHBondContact OE2-OH 3.15Å; Y374-Y376 HydrophobicContact CD1-CE1 4.16Å; Y374-Y376 AromaticContact CD1-CZ 3.8Å; Y374-Y376 WeakPolarHBondContact CD1-OH 3.21Å; Y374-Y376 HydrophobicContact CG-CE1 4.38Å; Y374-Y376 HydrophobicContact CG-CE2 4.34Å; Y374-Y376 AromaticContact CG-CZ 3.98Å; Y374-Y376 PolarHBondContact O-N 3.04Å; Y374-F378 HydrophobicContact CD2-CB 3.62Å; Y374-F378 AromaticContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD2 4.37Å; Y374-F378 AromaticContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CE2-CB 4.28Å; Y374-F378 AromaticContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD2 4.36Å; Y374-F378 AromaticContact CE2-CE1 3.89Å; Y374-F378 HydrophobicContact CE2-CE1 3.89Å; Y374-F378 AromaticContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CZ 4.45Å; Y374-F378 HydrophobicContact CG-CB 4.18Å; Y374-F378 HydrophobicContact CG-CG 4.41Å | ||
| 375 | P | 90.8 | Very high | 73.9 | Confident | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.065 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -62.3 | -22.5 | 176.5 | -21 | 30.8 | 0 | 0 | 0 | 113.7 | N340 Y343 L346 D347 | N340-P375 VanDerWaalsContact OD1-CD 3.24Å; N340-P375 WeakPolarHBondContact OD1-CD 3.44Å; Y343-P375 VanDerWaalsContact O-CB 3.29Å; Y343-P375 WeakPolarHBondContact O-CB 3.49Å; L346-P375 HydrophobicContact CB-CB 4.12Å; L346-P375 WeakPolarHBondContact CB-O 3.3Å; D347-P375 VanDerWaalsContact OD1-CA 3.23Å; D347-P375 WeakPolarHBondContact OD1-CA 3.47Å; D347-P375 VanDerWaalsContact OD1-CB 3.29Å; D347-P375 WeakPolarHBondContact OD1-CB 3.44Å |
| 376 | Y | 93.6 | Very high | 75.7 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -107.4 | 163.7 | 178.3 | 55.2 | -87 | 0 | 0 | 0 | 110.9 | I8 S9 R312 L339 Y343 Y374 F378 | I8-Y376 HydrophobicContact CB-CD2 4.05Å; I8-Y376 HydrophobicContact CB-CE2 4.24Å; I8-Y376 HydrophobicContact CG2-CD2 4.17Å; I8-Y376 HydrophobicContact CG2-CE2 3.85Å; S9-Y376 WeakPolarHBondContact O-CB 3.26Å; R312-Y376 PolarHBondContact NH1-O 3.41Å; L339-Y376 HydrophobicContact CB-CE1 3.67Å; L339-Y376 VanDerWaalsContact CB-OH 3.27Å; L339-Y376 WeakPolarHBondContact CB-OH 3.49Å; L339-Y376 HydrophobicContact CD1-CE2 4.43Å; L339-Y376 WeakPolarHBondContact CD1-OH 3.47Å; Y343-Y376 AromaticContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CD1 3.57Å; Y343-Y376 HydrophobicContact CD2-CE1 4.19Å; Y343-Y376 AromaticContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CD2-CG 3.88Å; Y343-Y376 HydrophobicContact CG-CD1 4.08Å; Y343-Y376 HydrophobicContact CG-CG 4.44Å; Y374-Y376 HydrophobicContact CD1-CE1 4.16Å; Y374-Y376 AromaticContact CD1-CZ 3.8Å; Y374-Y376 WeakPolarHBondContact CD1-OH 3.21Å; Y374-Y376 HydrophobicContact CG-CE1 4.38Å; Y374-Y376 HydrophobicContact CG-CE2 4.34Å; Y374-Y376 AromaticContact CG-CZ 3.98Å; Y374-Y376 PolarHBondContact O-N 3.04Å; Y376-F378 HydrophobicContact CD2-CB 4.35Å; Y376-F378 HydrophobicContact CE2-CB 4.06Å; Y376-F378 HydrophobicContact CE2-CD2 4.04Å; Y376-F378 HydrophobicContact CE2-CG 4.5Å; Y376-F378 PolarHBondContact O-N 3.5Å |
| 377 | V | 94.7 | Very high | 76.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 130.4 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 108.7 | I8 S9 V305 E308 Y313 | I8-V377 CarbonylContact C-O 3.14Å; I8-V377 WeakPolarHBondContact CA-O 3.44Å; S9-V377 PolarHBondContact N-O 3.42Å; S9-V377 PolarHBondContact O-N 3.44Å; V305-V377 HydrophobicContact CG1-CG1 4.42Å; V305-V377 HydrophobicContact CG2-CG1 4.38Å; E308-V377 HydrophobicContact CB-CG1 3.96Å; E308-V377 HydrophobicContact CB-CG2 3.95Å; Y313-V377 HydrophobicContact CE2-CG2 4.23Å; Y313-V377 PolarHBondContact OH-N 3.38Å; Y313-V377 VanDerWaalsContact OH-N 3.15Å |
| 378 | F | 95.4 | Very high | 76.8 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121.9 | -178.4 | 176.8 | -91.5 | 0 | 0 | 0 | 111.1 | W6 I8 Y374 Y376 K380 | W6-F378 HydrophobicContact CB-CE2 3.82Å; W6-F378 HydrophobicContact CB-CZ 4.48Å; W6-F378 AromaticContact CD1-CZ 3.96Å; W6-F378 AromaticContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CE2 3.74Å; W6-F378 HydrophobicContact CD2-CZ 4.15Å; W6-F378 HydrophobicContact CE3-CE2 4.06Å; W6-F378 AromaticContact CG-CE2 3.64Å; W6-F378 HydrophobicContact CG-CE2 3.64Å; W6-F378 AromaticContact CG-CZ 3.99Å; W6-F378 HydrophobicContact CG-CZ 3.99Å; I8-F378 HydrophobicContact CG2-CD2 3.83Å; I8-F378 HydrophobicContact CG2-CE2 4.5Å; Y374-F378 HydrophobicContact CD2-CB 3.62Å; Y374-F378 AromaticContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD1 3.76Å; Y374-F378 HydrophobicContact CD2-CD2 4.37Å; Y374-F378 AromaticContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CD2-CG 3.66Å; Y374-F378 HydrophobicContact CE2-CB 4.28Å; Y374-F378 AromaticContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD1 3.53Å; Y374-F378 HydrophobicContact CE2-CD2 4.36Å; Y374-F378 AromaticContact CE2-CE1 3.89Å; Y374-F378 HydrophobicContact CE2-CE1 3.89Å; Y374-F378 AromaticContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CG 3.8Å; Y374-F378 HydrophobicContact CE2-CZ 4.45Å; Y374-F378 HydrophobicContact CG-CB 4.18Å; Y374-F378 HydrophobicContact CG-CG 4.41Å; Y376-F378 HydrophobicContact CD2-CB 4.35Å; Y376-F378 HydrophobicContact CE2-CB 4.06Å; Y376-F378 HydrophobicContact CE2-CD2 4.04Å; Y376-F378 HydrophobicContact CE2-CG 4.5Å; Y376-F378 PolarHBondContact O-N 3.5Å; F378-K380 HydrophobicContact CE1-CB 4.33Å |
| 379 | L | 94.5 | Very high | 76.4 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.6 | 170.6 | -59.4 | -179.6 | 0 | 0 | 0 | 110 | L7 R304 V305 | L7-L379 HydrophobicContact CB-CB 4.37Å; L7-L379 PolarHBondContact N-O 3Å; L7-L379 PolarHBondContact O-N 2.94Å; R304-L379 HydrophobicContact CB-CD1 3.59Å; V305-L379 HydrophobicContact CG2-CD1 3.57Å; V305-L379 HydrophobicContact CG2-CG 4.25Å |
| 380 | K | 93.3 | Very high | 76.2 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.6 | 173.9 | -177.9 | 168.7 | 169.8 | 156.9 | 0 | 110.7 | E4 K301 F378 | E4-K380 HydrophobicContact CG-CD 4.48Å; E4-K380 WeakPolarHBondContact OE1-CE 3.08Å; E4-K380 IonicContact OE1-NZ 3.98Å; E4-K380 PolarHBondContact OE1-NZ 2.72Å; E4-K380 IonicContact OE2-NZ 3.75Å; E4-K380 PolarHBondContact OE2-NZ 3.47Å; K301-K380 PolarHBondContact NZ-O 3.33Å; F378-K380 HydrophobicContact CE1-CB 4.33Å |
| 381 | I | 93 | Very high | 75.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.7 | 171.1 | -44.5 | -170.6 | 0 | 0 | 0 | 107.5 | Y5 L7 V119 I298 K301 L323 T383 | Y5-I381 PolarHBondContact N-O 3.02Å; Y5-I381 PolarHBondContact O-N 3.14Å; L7-I381 HydrophobicContact CB-CD1 4.18Å; L7-I381 HydrophobicContact CB-CG1 4.44Å; L7-I381 HydrophobicContact CD2-CD1 4.47Å; V119-I381 HydrophobicContact CG1-CD1 4.15Å; I298-I381 HydrophobicContact CD1-CD1 4.2Å; I298-I381 HydrophobicContact CD1-CG2 4.04Å; K301-I381 HydrophobicContact CD-CB 4.41Å; K301-I381 HydrophobicContact CD-CD1 3.65Å; K301-I381 HydrophobicContact CD-CG1 3.51Å; K301-I381 HydrophobicContact CD-CG2 4.43Å; L323-I381 HydrophobicContact CD1-CD1 4.02Å; I381-T383 HydrophobicContact CG2-CG2 4.33Å |
| 382 | N | 90.9 | Very high | 74.1 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 106.1 | 175.5 | -175 | 1 | 0 | 0 | 0 | 110.2 | G3 R68 D384 | G3-N382 CarbonylContact O-C 3.53Å; G3-N382 WeakPolarHBondContact O-CA 3.48Å; R68-N382 PolarHBondContact NH2-O 2.85Å; N382-D384 VanDerWaalsContact C-N 3.31Å; N382-D384 VanDerWaalsContact OD1-CB 3.3Å; N382-D384 WeakPolarHBondContact OD1-CB 3.23Å; N382-D384 PolarHBondContact OD1-N 3.44Å |
| 383 | T | 88.9 | Confident | 72.2 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 8% | 0.08 | 36% | 0.357 | C | S | . | . | trans | -85.8 | -0.5 | 177.4 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | G3 Y5 I115 V119 F294 I381 L385 | G3-T383 WeakPolarHBondContact CA-OG1 3.49Å; G3-T383 PolarHBondContact O-N 3.49Å; G3-T383 PolarHBondContact O-OG1 3.31Å; Y5-T383 HydrophobicContact CD2-CG2 3.86Å; Y5-T383 HydrophobicContact CE2-CG2 3.73Å; I115-T383 HydrophobicContact CG2-CG2 3.67Å; V119-T383 HydrophobicContact CG2-CG2 4.08Å; F294-T383 HydrophobicContact CZ-CG2 4.24Å; I381-T383 HydrophobicContact CG2-CG2 4.33Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 PolarHBondContact O-N 3.15Å | ||
| 384 | D | 87.2 | Confident | 71.7 | Confident | 57 Ų | 57 | 66.1 Ų | 66.1 | 31% | 0.305 | 36% | 0.355 | S | S | . | . | trans | -77.2 | 89.6 | 165.7 | -62 | -32.6 | 0 | 0 | 0 | 107.9 | G3 R68 N382 | G3-D384 PolarHBondContact N-OD2 3.46Å; R68-D384 PolarHBondContact NH1-O 3.46Å; N382-D384 VanDerWaalsContact C-N 3.31Å; N382-D384 VanDerWaalsContact OD1-CB 3.3Å; N382-D384 WeakPolarHBondContact OD1-CB 3.23Å; N382-D384 PolarHBondContact OD1-N 3.44Å | ||
| 385 | L | 87.3 | Confident | 70.6 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | trans | -87 | -14.9 | -170.9 | -62.9 | 179.4 | 0 | 0 | 0 | 113.8 | T67 R68 V71 I115 F290 F294 W297 T383 | T67-L385 HydrophobicContact CG2-CD1 4.24Å; T67-L385 HydrophobicContact CG2-CD2 4.46Å; R68-L385 HydrophobicContact CG-CD2 4.48Å; V71-L385 HydrophobicContact CB-CB 4.29Å; V71-L385 HydrophobicContact CG1-CB 3.97Å; V71-L385 HydrophobicContact CG2-CB 4.07Å; V71-L385 HydrophobicContact CG2-CD1 3.91Å; I115-L385 HydrophobicContact CD1-CD1 3.92Å; F290-L385 HydrophobicContact CE2-CD1 3.62Å; F290-L385 HydrophobicContact CZ-CD1 3.91Å; F294-L385 HydrophobicContact CD2-CD1 4.24Å; F294-L385 HydrophobicContact CE2-CD1 4.34Å; W297-L385 HydrophobicContact CZ3-CD2 4Å; T383-L385 VanDerWaalsContact C-N 3.32Å; T383-L385 PolarHBondContact O-N 3.15Å | ||
| 386 | T | 82 | Confident | 69.5 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.178 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -95.5 | 135.5 | 173.5 | 57.6 | 0 | 0 | 0 | 0 | 110 | V71 L85 Y86 S388 | V71-T386 HydrophobicContact CG1-CG2 4.08Å; L85-T386 HydrophobicContact CD2-CG2 3.54Å; Y86-T386 PolarHBondContact OH-OG1 3.14Å; Y86-T386 VanDerWaalsContact OH-OG1 3.1Å; T386-S388 PolarHBondContact O-N 3.25Å |
| 387 | E | 63.3 | Low | 68.1 | Low | 165 Ų | 165 | 76.4 Ų | 76.4 | 77% | 0.771 | 41% | 0.411 | S | S | * | . | trans | -60.7 | 111.4 | 166.4 | -74.1 | -175.2 | 174 | 0 | 0 | 108.5 | S389 | E387-S389 PolarHBondContact O-N 3.2Š| ||
| 388 | S | 44.3 | Very low | 66.4 | Low | 92 Ų | 92 | 81.2 Ų | 81.2 | 64% | 0.643 | 44% | 0.437 | S | S | * | . | trans | -75 | 73.6 | 179.9 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | T386 V390 | T386-S388 PolarHBondContact O-N 3.25Å; S388-V390 PolarHBondContact O-N 2.75Å | ||
| 389 | S | 29.9 | Very low | 64.5 | Low | 106 Ų | 106 | 84.5 Ų | 84.5 | 74% | 0.741 | 46% | 0.457 | S | S | * | . | trans | -78.7 | -0.9 | 169 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | E387 K391 | E387-S389 PolarHBondContact O-N 3.2Å; S389-K391 PolarHBondContact O-N 3.47Å | ||
| 390 | V | 30.8 | Very low | 62.4 | Low | 124 Ų | 124 | 89.8 Ų | 89.8 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | trans | -96.6 | 76.8 | 171.2 | -168.3 | 0 | 0 | 0 | 0 | 108.8 | S388 S392 | S388-V390 PolarHBondContact O-N 2.75Å; V390-S392 PolarHBondContact O-N 3.32Å; V390-S392 VanDerWaalsContact O-N 3.16Å | ||
| 391 | K | 26.7 | Very low | 60 | Low | 174 Ų | 174 | 89.2 Ų | 89.2 | 76% | 0.757 | 49% | 0.491 | S | S | * | . | trans | -68.3 | 97.7 | 144.7 | -75.2 | -177.2 | 178.6 | 178.6 | 0 | 105.4 | S389 H393 | S389-K391 PolarHBondContact O-N 3.47Å; K391-H393 VanDerWaalsContact C-N 3.28Å; K391-H393 PolarHBondContact O-N 2.81Å | ||
| 392 | S | 25.9 | Very low | 57.3 | Low | 110 Ų | 110 | 96.7 Ų | 96.7 | 77% | 0.769 | 53% | 0.531 | S | S | * | . | trans | -63.5 | 100.3 | 157.4 | 40.8 | 0 | 0 | 0 | 0 | 106.8 | V390 | V390-S392 PolarHBondContact O-N 3.32Å; V390-S392 VanDerWaalsContact O-N 3.16Å | ||
| 393 | H | 29.9 | Very low | 54.2 | Low | 235 Ų | 235 | 101 Ų | 101 | 100% | 1.088 | 56% | 0.556 | S | S | * | * | trans | -87.7 | 0 | 160.2 | -88.9 | -51.5 | 0 | 0 | 0 | 109.3 | K391 | K391-H393 VanDerWaalsContact C-N 3.28Å; K391-H393 PolarHBondContact O-N 2.81Å |
Retrieved 393 of 393 residues in 371.2 ms
(Link to these results)