| 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 | 60.7 | Low | 90.1 | Very high | 242 Ų | 242 | 113.3 Ų | 113.3 | 100% | 1.192 | 66% | 0.66 | S | S | * | * | 0 | 118.2 | 0 | -88.2 | -177.6 | -93.6 | 0 | 0 | 106.1 | |||||
| 2 | D | 74.4 | Confident | 90.7 | Very high | 149 Ų | 149 | 110 Ų | 110 | 80% | 0.797 | 64% | 0.643 | S | S | * | * | trans | -64.3 | 137.7 | 171 | -63.8 | -33.2 | 0 | 0 | 0 | 108.6 | G4 | D2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | A | 90 | Very high | 91.3 | Very high | 107 Ų | 107 | 109 Ų | 109 | 88% | 0.884 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -68.4 | 124.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 4 | G | 92.6 | Very high | 91.7 | Very high | 69 Ų | 69 | 105 Ų | 105 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 83.8 | -165.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D2 | D2-G4 PolarHBondContact O-N 3.26Š|
| 5 | L | 94.9 | Very high | 92.1 | Very high | 117 Ų | 117 | 109 Ų | 109 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -77.8 | 128.3 | -175.8 | -175 | 63.3 | 0 | 0 | 0 | 110.8 | P7 V10 | L5-P7 WeakPolarHBondContact O-CD 3.26Å; L5-V10 HydrophobicContact CD2-CG2 3.4Å; L5-V10 VanDerWaalsContact CD2-CG2 3.4Å; L5-V10 HydrophobicContact CG-CG2 3.71Å |
| 6 | S | 95.5 | Very high | 92.4 | Very high | 32 Ų | 32 | 111.8 Ų | 111.8 | 22% | 0.224 | 61% | 0.61 | C | S | . | * | trans | -56.8 | 125.2 | 178.1 | 165.8 | 0 | 0 | 0 | 0 | 112.1 | E8 K9 V10 | S6-E8 PolarHBondContact O-N 3.38Å; S6-E8 PolarHBondContact OG-N 3.02Å; S6-K9 WeakPolarHBondContact O-CB 3.36Å; S6-K9 PolarHBondContact O-N 3.35Å; S6-K9 VanDerWaalsContact O-N 3.12Å; S6-K9 PolarHBondContact OG-N 3.11Å; S6-V10 PolarHBondContact O-N 3.42Å; S6-V10 VanDerWaalsContact O-N 3.07Å | ||
| 7 | P | 95.3 | Very high | 92.7 | Very high | 98 Ų | 98 | 108.7 Ų | 108.7 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -58.9 | -33.4 | 177.1 | -26.6 | 35.4 | 0 | 0 | 0 | 113.9 | L5 V10 T11 | L5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-V10 PolarHBondContact O-N 2.96Å; P7-T11 PolarHBondContact O-N 3.32Å; P7-T11 PolarHBondContact O-OG1 3.26Å |
| 8 | E | 96.1 | Very high | 92.9 | Very high | 153 Ų | 153 | 111.9 Ų | 111.9 | 72% | 0.715 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.4 | -41.2 | 176.7 | -63.5 | -179.6 | 173.7 | 0 | 0 | 111.5 | S6 T11 T12 | S6-E8 PolarHBondContact O-N 3.38Å; S6-E8 PolarHBondContact OG-N 3.02Å; E8-T11 PolarHBondContact O-N 3.03Å; E8-T12 WeakPolarHBondContact O-CB 3.47Å; E8-T12 PolarHBondContact O-N 3.48Å; E8-T12 PolarHBondContact O-OG1 3.23Å |
| 9 | K | 96.6 | Very high | 93.2 | Very high | 125 Ų | 125 | 110.6 Ų | 110.6 | 54% | 0.543 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.4 | -44.7 | 173.8 | -70 | -175 | 179.8 | 177.8 | 0 | 111.2 | S6 T11 T12 F13 | S6-K9 WeakPolarHBondContact O-CB 3.36Å; S6-K9 PolarHBondContact O-N 3.35Å; S6-K9 VanDerWaalsContact O-N 3.12Å; S6-K9 PolarHBondContact OG-N 3.11Å; K9-T11 VanDerWaalsContact C-N 3.35Å; K9-T11 PolarHBondContact O-N 3.3Å; K9-T12 WeakPolarHBondContact O-CB 3.3Å; K9-T12 PolarHBondContact O-N 2.94Å; K9-T12 VanDerWaalsContact O-N 3.16Å; K9-F13 HydrophobicContact CB-CE2 4.1Å; K9-F13 HydrophobicContact CB-CZ 4Å; K9-F13 WeakPolarHBondContact O-CD1 3.47Å; K9-F13 WeakPolarHBondContact O-CD2 3.39Å; K9-F13 WeakPolarHBondContact O-CG 3.34Å; K9-F13 PolarHBondContact O-N 3.45Å |
| 10 | V | 97.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 108.4 Ų | 108.4 | 35% | 0.352 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -56.5 | -49.7 | 176.5 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | L5 S6 P7 T12 F13 T14 | L5-V10 HydrophobicContact CD2-CG2 3.4Å; L5-V10 VanDerWaalsContact CD2-CG2 3.4Å; L5-V10 HydrophobicContact CG-CG2 3.71Å; S6-V10 PolarHBondContact O-N 3.42Å; S6-V10 VanDerWaalsContact O-N 3.07Å; P7-V10 PolarHBondContact O-N 2.96Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 3.38Å; V10-F13 PolarHBondContact O-N 2.98Å; V10-F13 VanDerWaalsContact O-N 3.15Å; V10-T14 PolarHBondContact O-N 3.48Å; V10-T14 PolarHBondContact O-OG1 3.21Å; V10-T14 VanDerWaalsContact O-OG1 3.14Å |
| 11 | T | 97.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 108.2 Ų | 108.2 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.3 | -41.9 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | P7 E8 K9 K15 | P7-T11 PolarHBondContact O-N 3.32Å; P7-T11 PolarHBondContact O-OG1 3.26Å; E8-T11 PolarHBondContact O-N 3.03Å; K9-T11 VanDerWaalsContact C-N 3.35Å; K9-T11 PolarHBondContact O-N 3.3Å; T11-K15 WeakPolarHBondContact O-CB 3.39Å; T11-K15 PolarHBondContact O-N 3.05Å |
| 12 | T | 98 | Very high | 95.2 | Very high | 74 Ų | 74 | 102.7 Ų | 102.7 | 45% | 0.454 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -44.5 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 112 | E8 K9 V10 K15 R16 | E8-T12 WeakPolarHBondContact O-CB 3.47Å; E8-T12 PolarHBondContact O-N 3.48Å; E8-T12 PolarHBondContact O-OG1 3.23Å; K9-T12 WeakPolarHBondContact O-CB 3.3Å; K9-T12 PolarHBondContact O-N 2.94Å; K9-T12 VanDerWaalsContact O-N 3.16Å; V10-T12 VanDerWaalsContact C-N 3.26Å; V10-T12 PolarHBondContact O-N 3.38Å; T12-K15 PolarHBondContact O-N 3.15Å; T12-R16 PolarHBondContact O-N 3.5Å; T12-R16 VanDerWaalsContact O-N 3.07Å |
| 13 | F | 97.3 | Very high | 96.3 | Very high | 97 Ų | 97 | 99.1 Ų | 99.1 | 43% | 0.425 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 177.1 | -58.3 | -24.6 | 0 | 0 | 0 | 111.3 | K9 V10 K15 R16 L17 | K9-F13 HydrophobicContact CB-CE2 4.1Å; K9-F13 HydrophobicContact CB-CZ 4Å; K9-F13 WeakPolarHBondContact O-CD1 3.47Å; K9-F13 WeakPolarHBondContact O-CD2 3.39Å; K9-F13 WeakPolarHBondContact O-CG 3.34Å; K9-F13 PolarHBondContact O-N 3.45Å; V10-F13 PolarHBondContact O-N 2.98Å; V10-F13 VanDerWaalsContact O-N 3.15Å; F13-K15 VanDerWaalsContact C-N 3.32Å; F13-K15 PolarHBondContact O-N 3.01Å; F13-R16 PolarHBondContact O-N 3.49Å; F13-R16 VanDerWaalsContact O-N 3.17Å; F13-L17 WeakPolarHBondContact O-CG 3.17Å; F13-L17 PolarHBondContact O-N 2.63Å |
| 14 | T | 96.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 97.2 Ų | 97.2 | 33% | 0.325 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 179 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | V10 R16 L17 R18 | V10-T14 PolarHBondContact O-N 3.48Å; V10-T14 PolarHBondContact O-OG1 3.21Å; V10-T14 VanDerWaalsContact O-OG1 3.14Å; T14-R16 VanDerWaalsContact C-N 3.35Å; T14-R16 PolarHBondContact O-N 3.21Å; T14-L17 PolarHBondContact O-N 3Å; T14-R18 HydrophobicContact CG2-CG 4.31Å; T14-R18 WeakPolarHBondContact O-CB 3.48Å; T14-R18 VanDerWaalsContact O-CG 3.3Å; T14-R18 WeakPolarHBondContact O-CG 3.27Å; T14-R18 PolarHBondContact O-N 3.21Å |
| 15 | K | 97.9 | Very high | 97 | Very high | 165 Ų | 165 | 99.3 Ų | 99.3 | 72% | 0.717 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 176.8 | -173.9 | 178.1 | 179.1 | -179.2 | 0 | 111.5 | T11 T12 F13 S19 | T11-K15 WeakPolarHBondContact O-CB 3.39Å; T11-K15 PolarHBondContact O-N 3.05Å; T12-K15 PolarHBondContact O-N 3.15Å; F13-K15 VanDerWaalsContact C-N 3.32Å; F13-K15 PolarHBondContact O-N 3.01Å; K15-S19 PolarHBondContact O-N 2.81Å |
| 16 | R | 97.4 | Very high | 97.1 | Very high | 153 Ų | 153 | 94.4 Ų | 94.4 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.1 | -51.8 | 177.2 | -172.3 | -178.8 | -60.7 | 176.3 | 0.8 | 111.4 | T12 F13 T14 R18 S19 | T12-R16 PolarHBondContact O-N 3.5Å; T12-R16 VanDerWaalsContact O-N 3.07Å; F13-R16 PolarHBondContact O-N 3.49Å; F13-R16 VanDerWaalsContact O-N 3.17Å; T14-R16 VanDerWaalsContact C-N 3.35Å; T14-R16 PolarHBondContact O-N 3.21Å; R16-R18 PolarHBondContact O-N 3.06Å; R16-S19 WeakPolarHBondContact O-CB 3.4Å; R16-S19 PolarHBondContact O-N 3.4Å; R16-S19 PolarHBondContact O-OG 2.94Å |
| 17 | L | 97.2 | Very high | 97.2 | Very high | 60 Ų | 60 | 96.5 Ų | 96.5 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | -179.7 | -66.7 | 172.5 | 0 | 0 | 0 | 112 | F13 T14 S19 E20 Y23 | F13-L17 WeakPolarHBondContact O-CG 3.17Å; F13-L17 PolarHBondContact O-N 2.63Å; T14-L17 PolarHBondContact O-N 3Å; L17-S19 PolarHBondContact O-N 3.36Å; L17-E20 WeakPolarHBondContact O-CB 3.46Å; L17-E20 PolarHBondContact O-N 3.32Å; L17-Y23 HydrophobicContact CB-CD1 3.76Å; L17-Y23 HydrophobicContact CB-CD2 4.1Å; L17-Y23 HydrophobicContact CB-CE1 3.66Å; L17-Y23 HydrophobicContact CB-CE2 4Å; L17-Y23 HydrophobicContact CB-CG 3.98Å; L17-Y23 HydrophobicContact CD1-CE2 3.92Å; L17-Y23 HydrophobicContact CD2-CD2 3.78Å; L17-Y23 HydrophobicContact CD2-CE2 3.89Å; L17-Y23 HydrophobicContact CD2-CG 4.3Å; L17-Y23 HydrophobicContact CG-CD2 4.37Å; L17-Y23 HydrophobicContact CG-CE2 4.15Å; L17-Y23 WeakPolarHBondContact O-CB 3.29Å; L17-Y23 WeakPolarHBondContact O-CD1 3.31Å |
| 18 | R | 97.1 | Very high | 97.3 | Very high | 166 Ų | 166 | 96.9 Ų | 96.9 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66 | -19 | 176.1 | -73.1 | 180 | 179.7 | 173.1 | 1.3 | 113.9 | T14 R16 E20 L24 | T14-R18 HydrophobicContact CG2-CG 4.31Å; T14-R18 WeakPolarHBondContact O-CB 3.48Å; T14-R18 VanDerWaalsContact O-CG 3.3Å; T14-R18 WeakPolarHBondContact O-CG 3.27Å; T14-R18 PolarHBondContact O-N 3.21Å; R16-R18 PolarHBondContact O-N 3.06Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-L24 HydrophobicContact CG-CD2 4.46Å |
| 19 | S | 97.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 92 Ų | 92 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.2 | 174.7 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | K15 R16 L17 P21 | K15-S19 PolarHBondContact O-N 2.81Å; R16-S19 WeakPolarHBondContact O-CB 3.4Å; R16-S19 PolarHBondContact O-N 3.4Å; R16-S19 PolarHBondContact O-OG 2.94Å; L17-S19 PolarHBondContact O-N 3.36Å; S19-P21 WeakPolarHBondContact O-CD 3.19Å |
| 20 | E | 97.1 | Very high | 97.5 | Very high | 65 Ų | 65 | 87.2 Ų | 87.2 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | trans | -96.7 | 109.6 | 179.1 | -66 | 174.6 | -146.3 | 0 | 0 | 110.4 | L17 R18 R22 Y23 L24 | L17-E20 WeakPolarHBondContact O-CB 3.46Å; L17-E20 PolarHBondContact O-N 3.32Å; R18-E20 VanDerWaalsContact C-N 3.31Å; E20-R22 PolarHBondContact O-N 3.48Å; E20-Y23 WeakPolarHBondContact O-CB 3.45Å; E20-Y23 PolarHBondContact O-N 3.03Å; E20-L24 PolarHBondContact O-N 2.92Å; E20-L24 VanDerWaalsContact O-N 3.15Å | ||
| 21 | P | 97.5 | Very high | 97.5 | Very high | 106 Ų | 106 | 89.5 Ų | 89.5 | 69% | 0.688 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.7 | -36 | -178.6 | -26.2 | 35.4 | 0 | 0 | 0 | 113.3 | S19 Y23 L24 L25 | S19-P21 WeakPolarHBondContact O-CD 3.19Å; P21-Y23 VanDerWaalsContact C-N 3.33Å; P21-Y23 PolarHBondContact O-N 3.24Å; P21-L24 PolarHBondContact O-N 3.14Å; P21-L25 PolarHBondContact O-N 3.17Å |
| 22 | R | 95.8 | Very high | 97.5 | Very high | 126 Ų | 126 | 90 Ų | 90 | 48% | 0.475 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 175.1 | -176.4 | -179 | 65.5 | -178.8 | -2.2 | 111.8 | E20 L25 A26 L347 | E20-R22 PolarHBondContact O-N 3.48Å; R22-L25 PolarHBondContact O-N 3.48Å; R22-A26 WeakPolarHBondContact O-CB 3.14Å; R22-A26 PolarHBondContact O-N 3.37Å; R22-L347 WeakPolarHBondContact CD-O 3.47Å |
| 23 | Y | 96.9 | Very high | 97.4 | Very high | 74 Ų | 74 | 91.1 Ų | 91.1 | 29% | 0.29 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 177 | 175 | -91.7 | 0 | 0 | 0 | 111.3 | L17 E20 P21 L25 A26 Q27 | L17-Y23 HydrophobicContact CB-CD1 3.76Å; L17-Y23 HydrophobicContact CB-CD2 4.1Å; L17-Y23 HydrophobicContact CB-CE1 3.66Å; L17-Y23 HydrophobicContact CB-CE2 4Å; L17-Y23 HydrophobicContact CB-CG 3.98Å; L17-Y23 HydrophobicContact CD1-CE2 3.92Å; L17-Y23 HydrophobicContact CD2-CD2 3.78Å; L17-Y23 HydrophobicContact CD2-CE2 3.89Å; L17-Y23 HydrophobicContact CD2-CG 4.3Å; L17-Y23 HydrophobicContact CG-CD2 4.37Å; L17-Y23 HydrophobicContact CG-CE2 4.15Å; L17-Y23 WeakPolarHBondContact O-CB 3.29Å; L17-Y23 WeakPolarHBondContact O-CD1 3.31Å; E20-Y23 WeakPolarHBondContact O-CB 3.45Å; E20-Y23 PolarHBondContact O-N 3.03Å; P21-Y23 VanDerWaalsContact C-N 3.33Å; P21-Y23 PolarHBondContact O-N 3.24Å; Y23-L25 VanDerWaalsContact C-N 3.35Å; Y23-L25 PolarHBondContact O-N 3.35Å; Y23-A26 PolarHBondContact O-N 3.13Å; Y23-Q27 VanDerWaalsContact O-CB 3.27Å; Y23-Q27 WeakPolarHBondContact O-CB 3.44Å; Y23-Q27 PolarHBondContact O-N 3.33Å |
| 24 | L | 98 | Very high | 97.4 | Very high | 66 Ų | 66 | 90.8 Ų | 90.8 | 35% | 0.346 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177.2 | -66 | 178.2 | 0 | 0 | 0 | 112.1 | R18 E20 P21 Q27 N28 | R18-L24 HydrophobicContact CG-CD2 4.46Å; E20-L24 PolarHBondContact O-N 2.92Å; E20-L24 VanDerWaalsContact O-N 3.15Å; P21-L24 PolarHBondContact O-N 3.14Å; L24-Q27 PolarHBondContact O-N 3.02Å; L24-N28 VanDerWaalsContact O-CG 3.26Å; L24-N28 PolarHBondContact O-N 3.34Å; L24-N28 PolarHBondContact O-ND2 3.44Å |
| 25 | L | 98.1 | Very high | 97.2 | Very high | 114 Ų | 114 | 90.9 Ų | 90.9 | 60% | 0.597 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.9 | -52.1 | 174.5 | 176.4 | 61.8 | 0 | 0 | 0 | 111.1 | P21 R22 Y23 Q27 N28 V29 | P21-L25 PolarHBondContact O-N 3.17Å; R22-L25 PolarHBondContact O-N 3.48Å; Y23-L25 VanDerWaalsContact C-N 3.35Å; Y23-L25 PolarHBondContact O-N 3.35Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.12Å; L25-N28 PolarHBondContact O-N 2.92Å; L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.12Å |
| 26 | A | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 87 Ų | 87 | 11% | 0.107 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R22 Y23 V29 S30 V348 | R22-A26 WeakPolarHBondContact O-CB 3.14Å; R22-A26 PolarHBondContact O-N 3.37Å; Y23-A26 PolarHBondContact O-N 3.13Å; A26-V29 WeakPolarHBondContact O-CG2 3.4Å; A26-V29 PolarHBondContact O-N 3.24Å; A26-S30 WeakPolarHBondContact O-CB 3.39Å; A26-S30 PolarHBondContact O-N 2.79Å; A26-S30 PolarHBondContact O-OG 2.92Å; A26-V348 HydrophobicContact CB-CG1 4.16Å; A26-V348 WeakPolarHBondContact CB-O 3.33Å |
| 27 | Q | 98.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 83 Ų | 83 | 36% | 0.36 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59 | -49.1 | 175.6 | 177.1 | 168.3 | 73 | 0 | 0 | 111.5 | Y23 L24 L25 V29 T31 | Y23-Q27 VanDerWaalsContact O-CB 3.27Å; Y23-Q27 WeakPolarHBondContact O-CB 3.44Å; Y23-Q27 PolarHBondContact O-N 3.33Å; L24-Q27 PolarHBondContact O-N 3.02Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.12Å; Q27-V29 VanDerWaalsContact C-N 3.33Å; Q27-V29 PolarHBondContact O-N 3.26Å; Q27-T31 HydrophobicContact CG-CG2 4.4Å; Q27-T31 VanDerWaalsContact O-CG2 3.26Å; Q27-T31 WeakPolarHBondContact O-CG2 3.35Å; Q27-T31 PolarHBondContact O-N 2.78Å; Q27-T31 VanDerWaalsContact O-N 3.11Å; Q27-T31 PolarHBondContact O-OG1 3.38Å |
| 28 | N | 98.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 81.9 Ų | 81.9 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.8 | -39.1 | -177.5 | -73.2 | -20.6 | 0 | 0 | 0 | 113.3 | L24 L25 T31 C32 | L24-N28 VanDerWaalsContact O-CG 3.26Å; L24-N28 PolarHBondContact O-N 3.34Å; L24-N28 PolarHBondContact O-ND2 3.44Å; L25-N28 PolarHBondContact O-N 2.92Å; N28-T31 PolarHBondContact O-OG1 3.25Å; N28-C32 PolarHBondContact O-SG 3.47Å |
| 29 | V | 97.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 74.1 Ų | 74.1 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -80.9 | -44.5 | -179.2 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | L25 A26 Q27 T31 C32 I33 V38 | L25-V29 WeakPolarHBondContact O-CG2 3.37Å; L25-V29 PolarHBondContact O-N 3.12Å; A26-V29 WeakPolarHBondContact O-CG2 3.4Å; A26-V29 PolarHBondContact O-N 3.24Å; Q27-V29 VanDerWaalsContact C-N 3.33Å; Q27-V29 PolarHBondContact O-N 3.26Å; V29-T31 VanDerWaalsContact C-N 3.27Å; V29-T31 PolarHBondContact O-N 3.47Å; V29-C32 PolarHBondContact O-N 3.46Å; V29-I33 PolarHBondContact O-N 3.34Å; V29-V38 HydrophobicContact CB-CG1 4.48Å; V29-V38 HydrophobicContact CB-CG2 4.29Å; V29-V38 HydrophobicContact CG2-CG1 3.53Å; V29-V38 HydrophobicContact CG2-CG2 4.14Å |
| 30 | S | 97.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 72.1 Ų | 72.1 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -72.5 | -15.9 | -176.1 | -60.6 | 0 | 0 | 0 | 0 | 113.6 | A26 C32 | A26-S30 WeakPolarHBondContact O-CB 3.39Å; A26-S30 PolarHBondContact O-N 2.79Å; A26-S30 PolarHBondContact O-OG 2.92Å; S30-C32 VanDerWaalsContact C-N 3.31Å |
| 31 | T | 97.7 | Very high | 96.9 | Very high | 106 Ų | 106 | 72.2 Ų | 72.2 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.9 | 169.8 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | Q27 N28 V29 | Q27-T31 HydrophobicContact CG-CG2 4.4Å; Q27-T31 VanDerWaalsContact O-CG2 3.26Å; Q27-T31 WeakPolarHBondContact O-CG2 3.35Å; Q27-T31 PolarHBondContact O-N 2.78Å; Q27-T31 VanDerWaalsContact O-N 3.11Å; Q27-T31 PolarHBondContact O-OG1 3.38Å; N28-T31 PolarHBondContact O-OG1 3.25Å; V29-T31 VanDerWaalsContact C-N 3.27Å; V29-T31 PolarHBondContact O-N 3.47Å |
| 32 | C | 97.3 | Very high | 96.9 | Very high | 107 Ų | 107 | 75.5 Ų | 75.5 | 72% | 0.723 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -19.5 | -174.3 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | N28 V29 S30 | N28-C32 PolarHBondContact O-SG 3.47Å; V29-C32 PolarHBondContact O-N 3.46Å; S30-C32 VanDerWaalsContact C-N 3.31Å |
| 33 | I | 97.1 | Very high | 97 | Very high | 96 Ų | 96 | 73.8 Ų | 73.8 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -134 | 151.8 | -173.4 | -57.7 | 177.6 | 0 | 0 | 0 | 108.6 | V29 E37 V38 | V29-I33 PolarHBondContact O-N 3.34Å; I33-E37 HydrophobicContact CG2-CB 4.01Å; I33-V38 HydrophobicContact CB-CG2 3.97Å; I33-V38 HydrophobicContact CG2-CG2 4.08Å |
| 34 | D | 95.9 | Very high | 97.1 | Very high | 90 Ų | 90 | 71 Ų | 71 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | trans | -49.8 | 127.7 | 170.5 | -177.7 | -79.9 | 0 | 0 | 0 | 110.9 | L36 E37 V38 | D34-L36 VanDerWaalsContact C-N 3.28Å; D34-L36 PolarHBondContact O-N 3.27Å; D34-L36 WeakPolarHBondContact OD1-CA 3.47Å; D34-L36 VanDerWaalsContact OD1-CB 3.29Å; D34-L36 WeakPolarHBondContact OD1-CB 3.47Å; D34-L36 PolarHBondContact OD1-N 3.01Å; D34-E37 HydrophobicContact CB-CB 4.31Å; D34-E37 HydrophobicContact CB-CG 3.96Å; D34-E37 WeakPolarHBondContact O-CB 3.37Å; D34-E37 PolarHBondContact O-N 3.47Å; D34-E37 VanDerWaalsContact O-N 3.13Å; D34-E37 PolarHBondContact OD1-N 2.72Å; D34-V38 PolarHBondContact O-N 3.47Å; D34-V38 VanDerWaalsContact O-N 3.14Å | ||
| 35 | P | 94.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 69.1 Ų | 69.1 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -22.6 | -173.3 | -17.8 | 28.2 | 0 | 0 | 0 | 114.9 | C39 F349 | P35-C39 WeakPolarHBondContact O-CB 3.2Å; P35-C39 PolarHBondContact O-N 2.92Å; P35-C39 PolarHBondContact O-SG 3.43Å; P35-F349 HydrophobicContact CB-CZ 3.78Å |
| 36 | L | 90.3 | Very high | 97 | Very high | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.3 | -37.7 | 173.1 | -67.4 | 177.8 | 0 | 0 | 0 | 111.3 | D34 V38 C39 L40 F343 | D34-L36 VanDerWaalsContact C-N 3.28Å; D34-L36 PolarHBondContact O-N 3.27Å; D34-L36 WeakPolarHBondContact OD1-CA 3.47Å; D34-L36 VanDerWaalsContact OD1-CB 3.29Å; D34-L36 WeakPolarHBondContact OD1-CB 3.47Å; D34-L36 PolarHBondContact OD1-N 3.01Å; L36-V38 VanDerWaalsContact C-N 3.3Å; L36-V38 PolarHBondContact O-N 3.45Å; L36-C39 CarbonylContact O-C 3.59Å; L36-C39 PolarHBondContact O-N 2.98Å; L36-C39 VanDerWaalsContact O-N 3.17Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-N 3.12Å; L36-F343 HydrophobicContact CB-CD1 4.47Å; L36-F343 HydrophobicContact CB-CE1 3.94Å; L36-F343 HydrophobicContact CB-CZ 4.12Å; L36-F343 HydrophobicContact CD2-CD2 4.24Å; L36-F343 HydrophobicContact CD2-CE2 4.24Å; L36-F343 HydrophobicContact CD2-CG 4.4Å; L36-F343 HydrophobicContact CD2-CZ 4.39Å; L36-F343 WeakPolarHBondContact O-CD1 3.42Å; L36-F343 VanDerWaalsContact O-CE1 3.26Å; L36-F343 WeakPolarHBondContact O-CE1 3.33Å |
| 37 | E | 95.9 | Very high | 97 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 173.6 | -63.5 | -80.8 | -180 | 0 | 0 | 110.8 | I33 D34 L40 H332 K334 | I33-E37 HydrophobicContact CG2-CB 4.01Å; D34-E37 HydrophobicContact CB-CB 4.31Å; D34-E37 HydrophobicContact CB-CG 3.96Å; D34-E37 WeakPolarHBondContact O-CB 3.37Å; D34-E37 PolarHBondContact O-N 3.47Å; D34-E37 VanDerWaalsContact O-N 3.13Å; D34-E37 PolarHBondContact OD1-N 2.72Å; E37-L40 VanDerWaalsContact O-CB 3.31Å; E37-L40 WeakPolarHBondContact O-CB 3.46Å; E37-L40 PolarHBondContact O-N 3.38Å; E37-H332 IonicContact OE1-NE2 3.05Å; E37-H332 IonicContact OE2-NE2 3.44Å; E37-K334 IonicContact OE1-NZ 3.52Å; E37-K334 PolarHBondContact OE1-NZ 2.83Å |
| 38 | V | 97.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 71.1 Ų | 71.1 | 22% | 0.218 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 171.9 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V29 I33 D34 L36 L40 V348 | V29-V38 HydrophobicContact CB-CG1 4.48Å; V29-V38 HydrophobicContact CB-CG2 4.29Å; V29-V38 HydrophobicContact CG2-CG1 3.53Å; V29-V38 HydrophobicContact CG2-CG2 4.14Å; I33-V38 HydrophobicContact CB-CG2 3.97Å; I33-V38 HydrophobicContact CG2-CG2 4.08Å; D34-V38 PolarHBondContact O-N 3.47Å; D34-V38 VanDerWaalsContact O-N 3.14Å; L36-V38 VanDerWaalsContact C-N 3.3Å; L36-V38 PolarHBondContact O-N 3.45Å; V38-L40 PolarHBondContact O-N 3.32Å; V38-V348 HydrophobicContact CG1-CG1 3.96Å; V38-V348 HydrophobicContact CG1-CG2 4.17Å |
| 39 | C | 97.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.7 | -10.2 | 178.4 | -75.1 | 0 | 0 | 0 | 0 | 113.9 | P35 L36 H41 F343 N344 V348 F349 | P35-C39 WeakPolarHBondContact O-CB 3.2Å; P35-C39 PolarHBondContact O-N 2.92Å; P35-C39 PolarHBondContact O-SG 3.43Å; L36-C39 CarbonylContact O-C 3.59Å; L36-C39 PolarHBondContact O-N 2.98Å; L36-C39 VanDerWaalsContact O-N 3.17Å; C39-H41 PolarHBondContact O-N 3.01Å; C39-H41 VanDerWaalsContact O-N 3.17Å; C39-F343 HydrophobicContact CB-CB 4.04Å; C39-F343 HydrophobicContact CB-CD1 4.1Å; C39-F343 HydrophobicContact CB-CG 4.45Å; C39-F343 CarbonylContact O-C 3.43Å; C39-F343 WeakPolarHBondContact O-CA 3.44Å; C39-N344 PolarHBondContact O-N 3.21Å; C39-V348 HydrophobicContact CB-CG2 4.46Å; C39-F349 WeakPolarHBondContact SG-CE2 3.33Å |
| 40 | L | 98 | Very high | 96.7 | Very high | 47 Ų | 47 | 69 Ų | 69 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 120.1 | -173.5 | -173.8 | 61.9 | 0 | 0 | 0 | 111.7 | L36 E37 V38 R42 V45 H332 L335 V342 F343 | L36-L40 PolarHBondContact O-N 3.44Å; L36-L40 VanDerWaalsContact O-N 3.12Å; E37-L40 VanDerWaalsContact O-CB 3.31Å; E37-L40 WeakPolarHBondContact O-CB 3.46Å; E37-L40 PolarHBondContact O-N 3.38Å; V38-L40 PolarHBondContact O-N 3.32Å; L40-R42 PolarHBondContact O-N 3.16Å; L40-V45 HydrophobicContact CD1-CG2 3.65Å; L40-V45 HydrophobicContact CD2-CG2 4.08Å; L40-V45 HydrophobicContact CG-CG2 3.81Å; L40-H332 HydrophobicContact CD1-CB 4.49Å; L40-L335 HydrophobicContact CD2-CD1 4.22Å; L40-V342 HydrophobicContact CD1-CG2 3.82Å; L40-F343 HydrophobicContact CD1-CE1 4.28Å |
| 41 | H | 98.1 | Very high | 96.7 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | trans | -83 | 105.9 | -176 | -173.2 | -135.4 | 0 | 0 | 0 | 111.1 | C39 Q43 T44 V45 N341 V342 | C39-H41 PolarHBondContact O-N 3.01Å; C39-H41 VanDerWaalsContact O-N 3.17Å; H41-Q43 VanDerWaalsContact C-N 3.31Å; H41-Q43 PolarHBondContact O-N 3.15Å; H41-T44 PolarHBondContact ND1-OG1 3.14Å; H41-T44 PolarHBondContact O-N 3.32Å; H41-V45 PolarHBondContact O-N 2.98Å; H41-V45 VanDerWaalsContact O-N 3.11Å; H41-N341 WeakPolarHBondContact CB-O 3.46Å; H41-V342 PolarHBondContact N-O 3.03Å | ||
| 42 | R | 97.9 | Very high | 96.7 | Very high | 175 Ų | 175 | 70.1 Ų | 70.1 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.3 | -40.2 | -174 | 179.8 | 58 | -176.3 | 176.7 | 2 | 113.7 | L40 V45 Q46 | L40-R42 PolarHBondContact O-N 3.16Å; R42-V45 PolarHBondContact O-N 2.91Å; R42-Q46 WeakPolarHBondContact O-CB 3.32Å; R42-Q46 PolarHBondContact O-N 3.22Å |
| 43 | Q | 98.1 | Very high | 96.7 | Very high | 90 Ų | 90 | 70.3 Ų | 70.3 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 179.9 | -172.2 | 63.3 | 46.7 | 0 | 0 | 111 | H41 V45 Q46 D47 | H41-Q43 VanDerWaalsContact C-N 3.31Å; H41-Q43 PolarHBondContact O-N 3.15Å; Q43-V45 VanDerWaalsContact C-N 3.32Å; Q43-V45 PolarHBondContact O-N 2.83Å; Q43-Q46 PolarHBondContact O-N 3.28Å; Q43-Q46 VanDerWaalsContact O-N 3.12Å; Q43-D47 WeakPolarHBondContact CG-OD2 3.33Å; Q43-D47 PolarHBondContact NE2-OD1 3.47Å; Q43-D47 PolarHBondContact NE2-OD2 2.92Å; Q43-D47 VanDerWaalsContact O-CG 3.3Å; Q43-D47 PolarHBondContact O-N 3.38Å |
| 44 | T | 97.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 68.6 Ų | 68.6 | 9% | 0.092 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 175.1 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | H41 Q46 D47 T48 D339 N341 | H41-T44 PolarHBondContact ND1-OG1 3.14Å; H41-T44 PolarHBondContact O-N 3.32Å; T44-Q46 VanDerWaalsContact C-N 3.33Å; T44-Q46 PolarHBondContact O-N 3.18Å; T44-D47 PolarHBondContact O-N 3.17Å; T44-T48 WeakPolarHBondContact O-CB 3.48Å; T44-T48 PolarHBondContact O-N 3.07Å; T44-T48 VanDerWaalsContact O-N 3.12Å; T44-T48 PolarHBondContact O-OG1 2.97Å; T44-D339 HydrophobicContact CG2-CB 4.36Å; T44-D339 VanDerWaalsContact CG2-OD2 3.23Å; T44-D339 WeakPolarHBondContact CG2-OD2 3.26Å; T44-N341 PolarHBondContact OG1-O 3.49Å |
| 45 | V | 97.7 | Very high | 96.8 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | L40 H41 R42 Q43 T48 L335 I337 | L40-V45 HydrophobicContact CD1-CG2 3.65Å; L40-V45 HydrophobicContact CD2-CG2 4.08Å; L40-V45 HydrophobicContact CG-CG2 3.81Å; H41-V45 PolarHBondContact O-N 2.98Å; H41-V45 VanDerWaalsContact O-N 3.11Å; R42-V45 PolarHBondContact O-N 2.91Å; Q43-V45 VanDerWaalsContact C-N 3.32Å; Q43-V45 PolarHBondContact O-N 2.83Å; V45-T48 PolarHBondContact O-N 3.4Å; V45-L335 HydrophobicContact CG1-CD1 3.83Å; V45-L335 HydrophobicContact CG2-CD1 3.88Å; V45-I337 HydrophobicContact CG2-CD1 4.43Å |
| 46 | Q | 97.8 | Very high | 97 | Very high | 117 Ų | 117 | 65.7 Ų | 65.7 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | -178.9 | -175.2 | 178.1 | -65 | 0 | 0 | 112.6 | R42 Q43 T44 T48 | R42-Q46 WeakPolarHBondContact O-CB 3.32Å; R42-Q46 PolarHBondContact O-N 3.22Å; Q43-Q46 PolarHBondContact O-N 3.28Å; Q43-Q46 VanDerWaalsContact O-N 3.12Å; T44-Q46 VanDerWaalsContact C-N 3.33Å; T44-Q46 PolarHBondContact O-N 3.18Å; Q46-T48 VanDerWaalsContact C-N 3.32Å |
| 47 | D | 96.6 | Very high | 97.3 | Very high | 99 Ų | 99 | 66 Ų | 66 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -84.2 | -11.5 | -177.6 | -61.9 | -21.4 | 0 | 0 | 0 | 112.7 | Q43 T44 V49 | Q43-D47 WeakPolarHBondContact CG-OD2 3.33Å; Q43-D47 PolarHBondContact NE2-OD1 3.47Å; Q43-D47 PolarHBondContact NE2-OD2 2.92Å; Q43-D47 VanDerWaalsContact O-CG 3.3Å; Q43-D47 PolarHBondContact O-N 3.38Å; T44-D47 PolarHBondContact O-N 3.17Å; D47-V49 PolarHBondContact O-N 2.83Å |
| 48 | T | 96.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | trans | -72.6 | 113.8 | -180 | -66.2 | 0 | 0 | 0 | 0 | 111 | T44 V45 Q46 I337 I407 | T44-T48 WeakPolarHBondContact O-CB 3.48Å; T44-T48 PolarHBondContact O-N 3.07Å; T44-T48 VanDerWaalsContact O-N 3.12Å; T44-T48 PolarHBondContact O-OG1 2.97Å; V45-T48 PolarHBondContact O-N 3.4Å; Q46-T48 VanDerWaalsContact C-N 3.32Å; T48-I337 HydrophobicContact CG2-CD1 3.84Å; T48-I337 HydrophobicContact CG2-CG1 3.99Å; T48-I407 HydrophobicContact CG2-CD1 4.07Å; T48-I407 HydrophobicContact CG2-CG2 3.5Å; T48-I407 VanDerWaalsContact CG2-CG2 3.5Å | ||
| 49 | V | 95.4 | Very high | 96.9 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | trans | -123.9 | 122 | 177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | D47 I51 K389 I407 | D47-V49 PolarHBondContact O-N 2.83Å; V49-I51 HydrophobicContact CG1-CB 4.03Å; V49-I51 HydrophobicContact CG1-CG1 3.77Å; V49-I51 PolarHBondContact O-N 3.24Å; V49-K389 PolarHBondContact O-NZ 2.78Å; V49-I407 WeakPolarHBondContact O-CD1 3.36Å | ||
| 50 | H | 96.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 66.9 Ų | 66.9 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | trans | -80.3 | 51.9 | 178.9 | -71 | -106.5 | 0 | 0 | 0 | 112.9 | F52 N402 I407 | H50-F52 HydrophobicContact CB-CE2 4.33Å; H50-N402 WeakPolarHBondContact CB-ND2 3.27Å; H50-I407 VanDerWaalsContact CE1-CG2 3.43Å; H50-I407 WeakPolarHBondContact CE1-CG2 3.4Å | ||
| 51 | I | 96.6 | Very high | 96.8 | Very high | 124 Ų | 124 | 70.1 Ų | 70.1 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | trans | -124.5 | 137.8 | 173.2 | -60.8 | -65.4 | 0 | 0 | 0 | 107.8 | V49 K389 | V49-I51 HydrophobicContact CG1-CB 4.03Å; V49-I51 HydrophobicContact CG1-CG1 3.77Å; V49-I51 PolarHBondContact O-N 3.24Å; I51-K389 WeakPolarHBondContact O-CE 3.47Å; I51-K389 PolarHBondContact O-NZ 3Å | ||
| 52 | F | 98.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | trans | -132.7 | 147.3 | -170.2 | -55.8 | -92 | 0 | 0 | 0 | 110.3 | H50 A377 T379 K389 W390 R391 I407 | H50-F52 HydrophobicContact CB-CE2 4.33Å; F52-A377 HydrophobicContact CB-CB 3.54Å; F52-A377 HydrophobicContact CD1-CB 4.35Å; F52-A377 HydrophobicContact CD2-CB 4.27Å; F52-A377 HydrophobicContact CG-CB 3.8Å; F52-T379 WeakPolarHBondContact CA-OG1 3.38Å; F52-K389 HydrophobicContact CD1-CD 4.32Å; F52-K389 HydrophobicContact CD1-CG 4.14Å; F52-K389 HydrophobicContact CE1-CB 4.41Å; F52-K389 HydrophobicContact CE1-CD 4.05Å; F52-K389 HydrophobicContact CE1-CG 4.04Å; F52-W390 WeakPolarHBondContact CE1-O 3.4Å; F52-R391 HydrophobicContact CD1-CB 3.94Å; F52-R391 HydrophobicContact CD2-CB 3.76Å; F52-R391 HydrophobicContact CD2-CG 4.05Å; F52-R391 HydrophobicContact CE1-CB 3.73Å; F52-R391 HydrophobicContact CE2-CB 3.53Å; F52-R391 HydrophobicContact CE2-CG 3.61Å; F52-R391 HydrophobicContact CG-CB 3.97Å; F52-R391 HydrophobicContact CZ-CB 3.51Å; F52-R391 HydrophobicContact CZ-CG 3.93Å; F52-I407 HydrophobicContact CE1-CD1 4.4Å; F52-I407 HydrophobicContact CE1-CG1 4.19Å; F52-I407 HydrophobicContact CZ-CB 4.21Å; F52-I407 HydrophobicContact CZ-CD1 4.24Å; F52-I407 HydrophobicContact CZ-CG1 4.05Å | ||
| 53 | Q | 97.5 | Very high | 96.8 | Very high | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -75.4 | -44 | -174.8 | -175.7 | -175.7 | -4.4 | 0 | 0 | 113.1 | V378 T379 | Q53-V378 PolarHBondContact N-O 3.24Å; Q53-T379 HydrophobicContact CB-CG2 4.13Å; Q53-T379 PolarHBondContact N-OG1 2.96Å |
| 54 | H | 98.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.6 | -179.3 | -60.4 | -74.3 | 0 | 0 | 0 | 109.1 | K316 A377 V378 D380 | H54-K316 HydrophobicContact CB-CG 4.17Å; H54-A377 CarbonylContact O-C 3.42Å; H54-A377 WeakPolarHBondContact O-CA 3.43Å; H54-A377 WeakPolarHBondContact O-CB 3.41Å; H54-V378 HydrophobicContact CB-CG1 4.08Å; H54-V378 PolarHBondContact N-O 3.39Å; H54-V378 PolarHBondContact O-N 2.78Å; H54-D380 IonicContact CD2-OD2 3.21Å; H54-D380 IonicContact NE2-OD2 3.44Å; H54-D380 PolarHBondContact NE2-OD2 3.28Å |
| 55 | S | 98.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 56% | 0.559 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.7 | 177.1 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | T376 | S55-T376 WeakPolarHBondContact CA-O 3.38Å |
| 56 | I | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | trans | -56.4 | 154.6 | 168.3 | 62.4 | 177.2 | 0 | 0 | 0 | 110.9 | T58 L83 I315 A320 T376 | I56-T58 VanDerWaalsContact CD1-O 3.3Å; I56-T58 WeakPolarHBondContact CD1-O 3.23Å; I56-T58 PolarHBondContact O-N 2.87Å; I56-T58 VanDerWaalsContact O-N 3.15Å; I56-L83 HydrophobicContact CD1-CD1 3.73Å; I56-I315 HydrophobicContact CG2-CG2 4.37Å; I56-A320 HydrophobicContact CD1-CB 4.11Å; I56-T376 HydrophobicContact CD1-CG2 3.88Å; I56-T376 WeakPolarHBondContact CG1-O 3.37Å; I56-T376 PolarHBondContact N-O 3.37Å | ||
| 57 | P | 95.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -62.4 | -25.9 | -174 | -26.6 | 34.3 | 0 | 0 | 0 | 115.1 | ||
| 58 | T | 91.9 | Very high | 97 | Very high | 71 Ų | 71 | 59.8 Ų | 59.8 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | trans | -153.7 | 132.5 | -177.4 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | I56 | I56-T58 VanDerWaalsContact CD1-O 3.3Å; I56-T58 WeakPolarHBondContact CD1-O 3.23Å; I56-T58 PolarHBondContact O-N 2.87Å; I56-T58 VanDerWaalsContact O-N 3.15Å | ||
| 59 | E | 93.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 59 Ų | 59 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | trans | -90.7 | 155 | 170.2 | -58.3 | -163.5 | 129 | 0 | 0 | 111.1 | T376 R391 Y405 | E59-T376 WeakPolarHBondContact OE1-CB 3.44Å; E59-T376 PolarHBondContact OE1-OG1 3.13Å; E59-R391 WeakPolarHBondContact OE1-CD 3.47Å; E59-R391 IonicContact OE1-CZ 3.72Å; E59-R391 IonicContact OE1-NE 2.84Å; E59-R391 PolarHBondContact OE1-NE 3.13Å; E59-R391 IonicContact OE1-NH2 3.62Å; E59-R391 IonicContact OE2-CZ 3.74Å; E59-R391 IonicContact OE2-NE 2.76Å; E59-R391 PolarHBondContact OE2-NE 2.78Å; E59-R391 IonicContact OE2-NH2 3.56Å; E59-R391 PolarHBondContact OE2-NH2 2.68Å; E59-Y405 WeakPolarHBondContact CB-OH 3.39Å; E59-Y405 VanDerWaalsContact OE1-CE1 3.22Å; E59-Y405 WeakPolarHBondContact OE1-CE1 3.37Å | ||
| 60 | G | 95.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -73.1 | 146.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 61 | K | 97.5 | Very high | 97.4 | Very high | 115 Ų | 115 | 54.4 Ų | 54.4 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -137 | 141.1 | 174.6 | -62.2 | -176.5 | -175.7 | -179.6 | 0 | 111 | M86 E93 F94 | K61-M86 HydrophobicContact CB-CE 4.49Å; K61-E93 HydrophobicContact CB-CG 4.16Å; K61-E93 CarbonylContact O-C 3.48Å; K61-E93 VanDerWaalsContact O-CA 3.31Å; K61-E93 WeakPolarHBondContact O-CA 3.48Å; K61-F94 PolarHBondContact O-N 3.37Å |
| 62 | P | 98.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 31% | 0.312 | 26% | 0.261 | S | S | . | . | S | Bend | cis | -70.1 | 172.6 | -9.4 | 32.2 | -37.9 | 0 | 0 | 0 | 112.4 | R82 E95 | P62-R82 PolarHBondContact O-NH1 3.17Å; P62-R82 PolarHBondContact O-NH2 2.86Å; P62-E95 HydrophobicContact CG-CG 4.32Å |
| 63 | I | 98.3 | Very high | 97.5 | Very high | 39 Ų | 39 | 47 Ų | 47 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 135.1 | 166.6 | -63.3 | -65.8 | 0 | 0 | 0 | 108.9 | E393 D398 Y405 | I63-E393 HydrophobicContact CD1-CG 4.36Å; I63-D398 HydrophobicContact CB-CB 4.23Å; I63-D398 HydrophobicContact CG1-CB 4.34Å; I63-D398 HydrophobicContact CG2-CB 4.44Å; I63-Y405 HydrophobicContact CD1-CD2 4.17Å; I63-Y405 HydrophobicContact CD1-CE2 3.37Å |
| 64 | T | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -90.5 | 155.3 | -174.6 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | N79 E95 S395 W396 G397 | T64-N79 WeakPolarHBondContact CG2-OD1 3.49Å; T64-N79 PolarHBondContact OG1-ND2 3.42Å; T64-N79 VanDerWaalsContact OG1-ND2 3.14Å; T64-N79 PolarHBondContact OG1-OD1 2.91Å; T64-E95 HydrophobicContact CG2-CG 4.14Å; T64-E95 VanDerWaalsContact CG2-OE1 3.32Å; T64-E95 WeakPolarHBondContact CG2-OE1 3.48Å; T64-S395 CarbonylContact O-C 3.52Å; T64-S395 WeakPolarHBondContact O-CA 3.39Å; T64-W396 PolarHBondContact O-N 2.9Å; T64-G397 PolarHBondContact O-N 2.83Å |
| 65 | N | 98.7 | Very high | 97.6 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 21% | 0.214 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -141.2 | 110.6 | -178.7 | -163.7 | -24 | 0 | 0 | 0 | 111 | K67 S395 W396 | N65-K67 PolarHBondContact ND2-NZ 2.65Å; N65-K67 PolarHBondContact O-N 3.12Å; N65-K67 WeakPolarHBondContact OD1-CD 3.35Å; N65-K67 PolarHBondContact OD1-N 3.42Å; N65-S395 CarbonylContact C-O 3.57Å; N65-S395 VanDerWaalsContact CA-O 3.27Å; N65-S395 WeakPolarHBondContact CA-O 3.47Å; N65-W396 VanDerWaalsContact CG-C 3.45Å; N65-W396 PolarHBondContact ND2-O 3.11Å |
| 66 | Q | 98.4 | Very high | 97.6 | Very high | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | trans | -76.3 | -11.8 | 178.6 | 76.6 | -170.3 | 63.6 | 0 | 0 | 113.6 | S69 R71 C72 F75 S395 | Q66-S69 PolarHBondContact NE2-O 3.42Å; Q66-S69 PolarHBondContact O-OG 2.83Å; Q66-R71 PolarHBondContact O-NH2 3.17Å; Q66-C72 VanDerWaalsContact OE1-CA 3.28Å; Q66-C72 VanDerWaalsContact OE1-CB 3.22Å; Q66-F75 VanDerWaalsContact CA-CZ 3.49Å; Q66-F75 HydrophobicContact CB-CD1 4.39Å; Q66-F75 HydrophobicContact CB-CD2 3.72Å; Q66-F75 HydrophobicContact CB-CE1 4.31Å; Q66-F75 HydrophobicContact CB-CE2 3.6Å; Q66-F75 HydrophobicContact CB-CG 4.12Å; Q66-F75 HydrophobicContact CB-CZ 3.93Å; Q66-S395 PolarHBondContact N-O 3.05Å; Q66-S395 PolarHBondContact OE1-OG 3.38Å | ||
| 67 | K | 98.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 34.8 Ų | 34.8 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | trans | 53.3 | -137.2 | -177 | -59.6 | -68.3 | -173.8 | -174 | 0 | 111.6 | N65 S69 E171 | N65-K67 PolarHBondContact ND2-NZ 2.65Å; N65-K67 PolarHBondContact O-N 3.12Å; N65-K67 WeakPolarHBondContact OD1-CD 3.35Å; N65-K67 PolarHBondContact OD1-N 3.42Å; K67-S69 VanDerWaalsContact C-N 3.27Å; K67-S69 PolarHBondContact O-N 3.29Å; K67-S69 VanDerWaalsContact O-N 3.15Å; K67-E171 HydrophobicContact CB-CB 3.83Å; K67-E171 HydrophobicContact CB-CG 4.25Å; K67-E171 VanDerWaalsContact CB-O 3.3Å; K67-E171 WeakPolarHBondContact CB-O 3.11Å; K67-E171 HydrophobicContact CG-CB 4Å; K67-E171 HydrophobicContact CG-CG 3.98Å | ||
| 68 | N | 98.4 | Very high | 97.8 | Very high | 132 Ų | 132 | 30.6 Ų | 30.6 | 71% | 0.706 | 16% | 0.161 | S | C | * | . | B | Isolated β-bridge | trans | -91.1 | 59 | -175.4 | -57.5 | -44.5 | 0 | 0 | 0 | 110.6 | E171 A172 S173 | N68-E171 CarbonylContact C-O 3.49Å; N68-E171 WeakPolarHBondContact CA-O 3.4Å; N68-E171 WeakPolarHBondContact CB-O 3.17Å; N68-E171 PolarHBondContact N-O 2.94Å; N68-A172 WeakPolarHBondContact O-CA 3.3Å; N68-S173 PolarHBondContact O-N 2.95Å |
| 69 | S | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -142.9 | 155.5 | 176.1 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | Q66 K67 R71 S170 | Q66-S69 PolarHBondContact NE2-O 3.42Å; Q66-S69 PolarHBondContact O-OG 2.83Å; K67-S69 VanDerWaalsContact C-N 3.27Å; K67-S69 PolarHBondContact O-N 3.29Å; K67-S69 VanDerWaalsContact O-N 3.15Å; S69-R71 PolarHBondContact O-N 3.28Å; S69-R71 PolarHBondContact OG-NE 2.83Å; S69-S170 WeakPolarHBondContact CB-O 3.2Å; S69-S170 PolarHBondContact OG-O 2.84Å |
| 70 | G | 98.4 | Very high | 98.4 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -85.9 | 30.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | C72 D142 A452 | G70-C72 VanDerWaalsContact C-N 3.31Å; G70-C72 PolarHBondContact O-N 3.25Å; G70-D142 PolarHBondContact N-OD2 3.11Å; G70-D142 CarbonylContact O-C 3.41Å; G70-A452 WeakPolarHBondContact O-CB 3.48Å |
| 71 | R | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -87.5 | 16.1 | -169.5 | -62.7 | -178.6 | -63.2 | 155.4 | -1.6 | 114.7 | Q66 S69 W73 I74 F75 F102 E166 S170 | Q66-R71 PolarHBondContact O-NH2 3.17Å; S69-R71 PolarHBondContact O-N 3.28Å; S69-R71 PolarHBondContact OG-NE 2.83Å; R71-W73 VanDerWaalsContact C-N 3.27Å; R71-W73 PolarHBondContact O-N 2.98Å; R71-I74 WeakPolarHBondContact O-CB 3.36Å; R71-I74 PolarHBondContact O-N 3.44Å; R71-F75 HydrophobicContact CB-CD2 3.83Å; R71-F75 HydrophobicContact CB-CE2 3.92Å; R71-F75 WeakPolarHBondContact O-CD2 3.18Å; R71-F75 PolarHBondContact O-N 2.86Å; R71-F102 VanDerWaalsContact CD-CG 3.41Å; R71-F102 HydrophobicContact CG-CD2 3.72Å; R71-F102 HydrophobicContact CG-CE2 3.97Å; R71-F102 HydrophobicContact CG-CG 4.12Å; R71-E166 IonicContact CZ-OE1 2.8Å; R71-E166 IonicContact CZ-OE2 3.79Å; R71-E166 VanDerWaalsContact CZ-OE2 3.23Å; R71-E166 VanDerWaalsContact NH1-CD 3.31Å; R71-E166 IonicContact NH1-OE1 3.12Å; R71-E166 PolarHBondContact NH1-OE1 3.31Å; R71-E166 IonicContact NH1-OE2 2.97Å; R71-E166 PolarHBondContact NH1-OE2 2.88Å; R71-E166 IonicContact NH2-OE1 2.64Å; R71-E166 IonicContact NH2-OE2 3.78Å; R71-E166 PolarHBondContact NH2-OE2 3.5Å; R71-S170 PolarHBondContact NE-O 3.03Å; R71-S170 VanDerWaalsContact NE-O 3.12Å; R71-S170 PolarHBondContact NH2-O 3.49Å | ||
| 72 | C | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.4 | -39.1 | -172.3 | 57.6 | 0 | 0 | 0 | 0 | 113.6 | Q66 G70 I74 F75 S76 H371 A372 L451 A452 | Q66-C72 VanDerWaalsContact OE1-CA 3.28Å; Q66-C72 VanDerWaalsContact OE1-CB 3.22Å; G70-C72 VanDerWaalsContact C-N 3.31Å; G70-C72 PolarHBondContact O-N 3.25Å; C72-I74 PolarHBondContact O-N 2.9Å; C72-F75 PolarHBondContact O-N 2.95Å; C72-S76 VanDerWaalsContact O-CB 3.25Å; C72-S76 WeakPolarHBondContact O-CB 3.35Å; C72-S76 PolarHBondContact O-N 3.33Å; C72-S76 PolarHBondContact O-OG 3.49Å; C72-H371 WeakPolarHBondContact CB-CE1 3.5Å; C72-H371 WeakPolarHBondContact CB-ND1 3.31Å; C72-H371 PolarHBondContact SG-ND1 2.91Å; C72-H371 VanDerWaalsContact SG-ND1 3.37Å; C72-A372 PolarHBondContact SG-N 2.82Å; C72-A372 VanDerWaalsContact SG-N 3.38Å; C72-L451 WeakPolarHBondContact SG-CD2 3.43Å; C72-A452 VanDerWaalsContact SG-CB 3.55Å |
| 73 | W | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 175.2 | 62.3 | -67.6 | 0 | 0 | 0 | 113 | R71 C77 D105 D142 G144 M148 L149 L152 W322 A372 L451 | R71-W73 VanDerWaalsContact C-N 3.27Å; R71-W73 PolarHBondContact O-N 2.98Å; W73-C77 VanDerWaalsContact O-CB 3.3Å; W73-C77 WeakPolarHBondContact O-CB 3.47Å; W73-C77 PolarHBondContact O-N 3.43Å; W73-D105 HydrophobicContact CH2-CB 4.31Å; W73-D105 WeakPolarHBondContact CH2-OD1 3.26Å; W73-D105 HydrophobicContact CZ2-CB 4.38Å; W73-D142 PolarHBondContact NE1-O 2.74Å; W73-G144 VanDerWaalsContact CE3-C 3.49Å; W73-M148 HydrophobicContact CH2-CB 4.16Å; W73-M148 HydrophobicContact CZ3-CB 3.7Å; W73-L149 HydrophobicContact CD2-CD2 4.36Å; W73-L149 HydrophobicContact CE3-CD1 3.86Å; W73-L149 HydrophobicContact CE3-CD2 3.54Å; W73-L149 HydrophobicContact CE3-CG 3.4Å; W73-L149 HydrophobicContact CH2-CD2 4.45Å; W73-L149 HydrophobicContact CZ3-CB 4.49Å; W73-L149 HydrophobicContact CZ3-CD1 4.46Å; W73-L149 HydrophobicContact CZ3-CD2 3.58Å; W73-L149 HydrophobicContact CZ3-CG 3.52Å; W73-L152 HydrophobicContact CH2-CD1 3.95Å; W73-L152 HydrophobicContact CZ3-CD1 4.44Å; W73-W322 HydrophobicContact CB-CZ2 4.16Å; W73-W322 PolarHBondContact O-NE1 3.21Å; W73-A372 HydrophobicContact CB-CB 4.27Å; W73-L451 HydrophobicContact CB-CD1 4.37Å; W73-L451 HydrophobicContact CB-CD2 3.75Å; W73-L451 HydrophobicContact CG-CD2 4.3Å |
| 74 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -49.4 | 174.7 | -67.3 | 167.8 | 0 | 0 | 0 | 110.5 | R71 C72 S76 C77 L78 Q98 L101 F102 L149 | R71-I74 WeakPolarHBondContact O-CB 3.36Å; R71-I74 PolarHBondContact O-N 3.44Å; C72-I74 PolarHBondContact O-N 2.9Å; I74-S76 PolarHBondContact O-N 3.41Å; I74-C77 PolarHBondContact O-N 2.83Å; I74-L78 HydrophobicContact CG2-CD1 3.86Å; I74-L78 HydrophobicContact CG2-CG 4.44Å; I74-L78 WeakPolarHBondContact O-CB 3.41Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 2.86Å; I74-Q98 HydrophobicContact CG2-CB 4.02Å; I74-Q98 HydrophobicContact CG2-CG 4.48Å; I74-L101 HydrophobicContact CD1-CB 4.4Å; I74-L101 HydrophobicContact CG2-CB 4.04Å; I74-L101 HydrophobicContact CG2-CD1 4.27Å; I74-F102 HydrophobicContact CD1-CB 4.14Å; I74-F102 HydrophobicContact CD1-CD2 4.43Å; I74-L149 HydrophobicContact CG1-CD2 3.98Å |
| 75 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | -179 | -87.4 | -102.8 | 0 | 0 | 0 | 111.4 | Q66 R71 C72 C77 L78 N79 Q98 | Q66-F75 VanDerWaalsContact CA-CZ 3.49Å; Q66-F75 HydrophobicContact CB-CD1 4.39Å; Q66-F75 HydrophobicContact CB-CD2 3.72Å; Q66-F75 HydrophobicContact CB-CE1 4.31Å; Q66-F75 HydrophobicContact CB-CE2 3.6Å; Q66-F75 HydrophobicContact CB-CG 4.12Å; Q66-F75 HydrophobicContact CB-CZ 3.93Å; R71-F75 HydrophobicContact CB-CD2 3.83Å; R71-F75 HydrophobicContact CB-CE2 3.92Å; R71-F75 WeakPolarHBondContact O-CD2 3.18Å; R71-F75 PolarHBondContact O-N 2.86Å; C72-F75 PolarHBondContact O-N 2.95Å; F75-C77 PolarHBondContact O-N 3.01Å; F75-L78 PolarHBondContact O-N 3.28Å; F75-N79 VanDerWaalsContact O-CB 3.3Å; F75-N79 WeakPolarHBondContact O-CB 3.46Å; F75-N79 PolarHBondContact O-N 2.85Å; F75-Q98 HydrophobicContact CD1-CG 3.84Å; F75-Q98 HydrophobicContact CD2-CB 3.94Å; F75-Q98 HydrophobicContact CD2-CG 3.83Å; F75-Q98 HydrophobicContact CE1-CB 4.3Å; F75-Q98 HydrophobicContact CE1-CG 3.67Å; F75-Q98 HydrophobicContact CE2-CB 3.48Å; F75-Q98 VanDerWaalsContact CE2-CB 3.48Å; F75-Q98 HydrophobicContact CE2-CG 3.67Å; F75-Q98 HydrophobicContact CG-CG 3.93Å; F75-Q98 HydrophobicContact CZ-CB 3.67Å; F75-Q98 HydrophobicContact CZ-CG 3.57Å |
| 76 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 179.8 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | C72 I74 N79 V80 W322 A372 M373 I374 | C72-S76 VanDerWaalsContact O-CB 3.25Å; C72-S76 WeakPolarHBondContact O-CB 3.35Å; C72-S76 PolarHBondContact O-N 3.33Å; C72-S76 PolarHBondContact O-OG 3.49Å; I74-S76 PolarHBondContact O-N 3.41Å; S76-N79 PolarHBondContact O-N 3.08Å; S76-V80 PolarHBondContact O-N 2.77Å; S76-V80 VanDerWaalsContact O-N 3.1Å; S76-W322 VanDerWaalsContact CB-CD1 3.43Å; S76-A372 VanDerWaalsContact OG-C 3.22Å; S76-A372 PolarHBondContact OG-O 2.91Å; S76-M373 WeakPolarHBondContact OG-CA 3.19Å; S76-M373 PolarHBondContact OG-N 2.89Å; S76-I374 WeakPolarHBondContact O-CG2 3.18Å |
| 77 | C | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.9 | -52.1 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | W73 I74 F75 N79 V80 L81 W146 L149 | W73-C77 VanDerWaalsContact O-CB 3.3Å; W73-C77 WeakPolarHBondContact O-CB 3.47Å; W73-C77 PolarHBondContact O-N 3.43Å; I74-C77 PolarHBondContact O-N 2.83Å; F75-C77 PolarHBondContact O-N 3.01Å; C77-N79 VanDerWaalsContact C-N 3.26Å; C77-N79 PolarHBondContact O-N 3.11Å; C77-V80 PolarHBondContact O-N 2.8Å; C77-L81 WeakPolarHBondContact O-CD1 3.41Å; C77-L81 PolarHBondContact O-N 2.95Å; C77-W146 HydrophobicContact CB-CZ3 4.39Å; C77-L149 HydrophobicContact CB-CD1 3.5Å; C77-L149 HydrophobicContact CB-CD2 4.01Å; C77-L149 HydrophobicContact CB-CG 4.29Å |
| 78 | L | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.6 | -27.7 | -179.4 | -66.1 | 179.8 | 0 | 0 | 0 | 112.9 | I74 F75 L81 R82 F96 Q98 L101 V158 | I74-L78 HydrophobicContact CG2-CD1 3.86Å; I74-L78 HydrophobicContact CG2-CG 4.44Å; I74-L78 WeakPolarHBondContact O-CB 3.41Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 2.86Å; F75-L78 PolarHBondContact O-N 3.28Å; L78-L81 HydrophobicContact CD2-CD2 4.28Å; L78-R82 WeakPolarHBondContact O-CB 3.16Å; L78-R82 WeakPolarHBondContact O-CG 3.32Å; L78-R82 PolarHBondContact O-N 3.5Å; L78-F96 HydrophobicContact CB-CB 4.2Å; L78-F96 HydrophobicContact CB-CD2 4.38Å; L78-F96 HydrophobicContact CD1-CB 3.87Å; L78-F96 HydrophobicContact CD2-CB 3.73Å; L78-F96 HydrophobicContact CD2-CD2 3.96Å; L78-F96 HydrophobicContact CD2-CG 4.07Å; L78-F96 HydrophobicContact CG-CB 4.13Å; L78-Q98 HydrophobicContact CD1-CB 4.33Å; L78-Q98 HydrophobicContact CD1-CG 3.89Å; L78-L101 HydrophobicContact CD1-CD1 4.02Å; L78-L101 HydrophobicContact CD2-CD1 3.89Å; L78-L101 HydrophobicContact CG-CD1 4.12Å; L78-V158 HydrophobicContact CD2-CG1 3.95Å |
| 79 | N | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -34.1 | 171.2 | -79.6 | -9.2 | 0 | 0 | 0 | 112.2 | T64 F75 S76 C77 R82 L83 I374 E393 | T64-N79 WeakPolarHBondContact CG2-OD1 3.49Å; T64-N79 PolarHBondContact OG1-ND2 3.42Å; T64-N79 VanDerWaalsContact OG1-ND2 3.14Å; T64-N79 PolarHBondContact OG1-OD1 2.91Å; F75-N79 VanDerWaalsContact O-CB 3.3Å; F75-N79 WeakPolarHBondContact O-CB 3.46Å; F75-N79 PolarHBondContact O-N 2.85Å; S76-N79 PolarHBondContact O-N 3.08Å; C77-N79 VanDerWaalsContact C-N 3.26Å; C77-N79 PolarHBondContact O-N 3.11Å; N79-R82 WeakPolarHBondContact O-CG 3.31Å; N79-R82 PolarHBondContact OD1-NE 2.95Å; N79-R82 PolarHBondContact OD1-NH2 3.2Å; N79-L83 VanDerWaalsContact O-CG 3.3Å; N79-L83 WeakPolarHBondContact O-CG 3.21Å; N79-I374 HydrophobicContact CB-CD1 3.89Å; N79-I374 HydrophobicContact CB-CG1 4.46Å; N79-I374 HydrophobicContact CB-CG2 4.3Å; N79-E393 PolarHBondContact ND2-OE1 2.85Å |
| 80 | V | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.8 | -51.4 | 170.3 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | S76 C77 R82 L83 P84 Y261 A320 W322 I374 | S76-V80 PolarHBondContact O-N 2.77Å; S76-V80 VanDerWaalsContact O-N 3.1Å; C77-V80 PolarHBondContact O-N 2.8Å; V80-R82 VanDerWaalsContact C-N 3.25Å; V80-R82 PolarHBondContact O-N 2.79Å; V80-L83 PolarHBondContact O-N 2.64Å; V80-P84 WeakPolarHBondContact O-CD 3.46Å; V80-Y261 HydrophobicContact CG1-CD2 4.24Å; V80-Y261 HydrophobicContact CG1-CE2 3.4Å; V80-A320 HydrophobicContact CG1-CB 4.45Å; V80-A320 WeakPolarHBondContact CG1-O 3.1Å; V80-A320 HydrophobicContact CG2-CB 4.26Å; V80-W322 HydrophobicContact CG2-CB 4.25Å; V80-I374 HydrophobicContact CG2-CB 4.13Å; V80-I374 HydrophobicContact CG2-CG2 3.47Å; V80-I374 VanDerWaalsContact CG2-CG2 3.47Å |
| 81 | L | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.7 | -35.3 | -175.4 | -90.2 | 66.5 | 0 | 0 | 0 | 112.5 | C77 L78 L83 P84 F96 I153 V257 Y261 | C77-L81 WeakPolarHBondContact O-CD1 3.41Å; C77-L81 PolarHBondContact O-N 2.95Å; L78-L81 HydrophobicContact CD2-CD2 4.28Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 3.04Å; L81-P84 WeakPolarHBondContact O-CD 3.48Å; L81-F96 HydrophobicContact CB-CD2 4.18Å; L81-F96 HydrophobicContact CB-CE2 3.73Å; L81-I153 HydrophobicContact CD2-CD1 4.15Å; L81-V257 HydrophobicContact CD2-CG1 4.25Å; L81-Y261 HydrophobicContact CD1-CD1 3.44Å; L81-Y261 VanDerWaalsContact CD1-CD1 3.44Å; L81-Y261 HydrophobicContact CD1-CE1 3.32Å; L81-Y261 HydrophobicContact CD1-CG 4.29Å; L81-Y261 HydrophobicContact CG-CD1 3.68Å; L81-Y261 HydrophobicContact CG-CE1 4.12Å; L81-Y261 HydrophobicContact CG-CG 4.27Å |
| 82 | R | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69 | -25.7 | -175.7 | 68.4 | 178.4 | 179 | 167.4 | -3.7 | 113.3 | P62 L78 N79 V80 F85 M86 F94 F96 E393 | P62-R82 PolarHBondContact O-NH1 3.17Å; P62-R82 PolarHBondContact O-NH2 2.86Å; L78-R82 WeakPolarHBondContact O-CB 3.16Å; L78-R82 WeakPolarHBondContact O-CG 3.32Å; L78-R82 PolarHBondContact O-N 3.5Å; N79-R82 WeakPolarHBondContact O-CG 3.31Å; N79-R82 PolarHBondContact OD1-NE 2.95Å; N79-R82 PolarHBondContact OD1-NH2 3.2Å; V80-R82 VanDerWaalsContact C-N 3.25Å; V80-R82 PolarHBondContact O-N 2.79Å; R82-F85 PolarHBondContact O-N 2.86Å; R82-M86 HydrophobicContact CB-SD 4.31Å; R82-M86 HydrophobicContact CG-SD 4.18Å; R82-M86 VanDerWaalsContact O-CB 3.29Å; R82-M86 WeakPolarHBondContact O-CB 3.43Å; R82-M86 WeakPolarHBondContact O-CG 3.46Å; R82-M86 PolarHBondContact O-N 3.04Å; R82-F94 HydrophobicContact CB-CD1 4.04Å; R82-F94 WeakPolarHBondContact CD-O 3.4Å; R82-F94 PolarHBondContact NH1-O 2.97Å; R82-F96 HydrophobicContact CB-CD2 4.17Å; R82-F96 HydrophobicContact CB-CE2 4.04Å; R82-E393 IonicContact CZ-OE1 3.74Å; R82-E393 IonicContact NH2-OE1 3.67Å; R82-E393 PolarHBondContact NH2-OE1 3.19Å |
| 83 | L | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 34.2 Ų | 34.2 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -56 | -172.7 | -55.7 | 168.2 | 0 | 0 | 0 | 112.4 | I56 N79 V80 L81 F85 M86 K87 A320 | I56-L83 HydrophobicContact CD1-CD1 3.73Å; N79-L83 VanDerWaalsContact O-CG 3.3Å; N79-L83 WeakPolarHBondContact O-CG 3.21Å; V80-L83 PolarHBondContact O-N 2.64Å; L81-L83 VanDerWaalsContact C-N 3.29Å; L81-L83 PolarHBondContact O-N 3.04Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 2.87Å; L83-M86 PolarHBondContact O-N 2.97Å; L83-K87 PolarHBondContact O-N 3.48Å; L83-K87 VanDerWaalsContact O-N 3.12Å; L83-A320 HydrophobicContact CD1-CB 3.47Å; L83-A320 VanDerWaalsContact CD1-CB 3.47Å |
| 84 | P | 98.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.8 | -30.7 | 176.4 | 28.5 | -36.5 | 0 | 0 | 0 | 112.1 | V80 L81 K87 K88 L260 | V80-P84 WeakPolarHBondContact O-CD 3.46Å; L81-P84 WeakPolarHBondContact O-CD 3.48Å; P84-K87 PolarHBondContact O-N 3.12Å; P84-K88 WeakPolarHBondContact O-CB 3.36Å; P84-K88 PolarHBondContact O-N 2.84Å; P84-L260 HydrophobicContact CB-CB 4.17Å; P84-L260 HydrophobicContact CG-CB 4.48Å |
| 85 | F | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | 175.8 | -174.7 | -94.9 | 0 | 0 | 0 | 112.3 | R82 L83 K87 K88 H89 L91 F94 F96 W232 F252 H256 V257 L260 | R82-F85 PolarHBondContact O-N 2.86Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 2.87Å; F85-K87 VanDerWaalsContact C-N 3.3Å; F85-K87 PolarHBondContact O-N 3.26Å; F85-K88 PolarHBondContact O-N 2.84Å; F85-H89 AromaticContact CD2-CD2 3.7Å; F85-H89 AromaticContact CE2-CD2 3.47Å; F85-H89 VanDerWaalsContact CE2-CD2 3.47Å; F85-H89 WeakPolarHBondContact CE2-CD2 3.48Å; F85-H89 AromaticContact CE2-NE2 3.58Å; F85-H89 AromaticContact CZ-CD2 3.67Å; F85-H89 PolarHBondContact O-CD2 2.99Å; F85-H89 PolarHBondContact O-N 2.76Å; F85-L91 HydrophobicContact CD1-CD1 4Å; F85-L91 HydrophobicContact CE1-CD1 3.8Å; F85-F94 AromaticContact CD1-CD1 3.83Å; F85-F94 HydrophobicContact CD1-CD1 3.83Å; F85-F94 HydrophobicContact CD1-CD2 4.45Å; F85-F94 AromaticContact CD1-CE1 3.58Å; F85-F94 HydrophobicContact CD1-CE1 3.58Å; F85-F94 HydrophobicContact CD1-CE2 4.22Å; F85-F94 HydrophobicContact CD1-CG 4.26Å; F85-F94 AromaticContact CD1-CZ 3.79Å; F85-F94 HydrophobicContact CD1-CZ 3.79Å; F85-F94 HydrophobicContact CE1-CD1 4.18Å; F85-F94 HydrophobicContact CE1-CD2 4.05Å; F85-F94 AromaticContact CE1-CE1 3.74Å; F85-F94 HydrophobicContact CE1-CE1 3.74Å; F85-F94 AromaticContact CE1-CE2 3.59Å; F85-F94 HydrophobicContact CE1-CE2 3.59Å; F85-F94 HydrophobicContact CE1-CG 4.33Å; F85-F94 AromaticContact CE1-CZ 3.42Å; F85-F94 HydrophobicContact CE1-CZ 3.42Å; F85-F94 VanDerWaalsContact CE1-CZ 3.42Å; F85-F94 HydrophobicContact CZ-CE2 4.47Å; F85-F94 HydrophobicContact CZ-CZ 4.23Å; F85-F96 HydrophobicContact CB-CZ 4.09Å; F85-F96 HydrophobicContact CD1-CE1 4.5Å; F85-F96 HydrophobicContact CD1-CZ 4.15Å; F85-F96 HydrophobicContact CD2-CZ 4.21Å; F85-F96 AromaticContact CG-CZ 3.89Å; F85-F96 HydrophobicContact CG-CZ 3.89Å; F85-W232 HydrophobicContact CE1-CH2 4.12Å; F85-W232 AromaticContact CE1-CZ3 3.95Å; F85-W232 HydrophobicContact CE1-CZ3 3.95Å; F85-W232 AromaticContact CZ-CZ3 3.92Å; F85-W232 HydrophobicContact CZ-CZ3 3.92Å; F85-F252 HydrophobicContact CE1-CZ 4.44Å; F85-F252 HydrophobicContact CE2-CE2 4.49Å; F85-F252 AromaticContact CE2-CZ 3.91Å; F85-F252 HydrophobicContact CE2-CZ 3.91Å; F85-F252 HydrophobicContact CZ-CE2 4.12Å; F85-F252 AromaticContact CZ-CZ 3.61Å; F85-F252 HydrophobicContact CZ-CZ 3.61Å; F85-H256 HydrophobicContact CE2-CB 4.06Å; F85-V257 HydrophobicContact CD2-CG2 3.93Å; F85-V257 HydrophobicContact CE2-CG2 4.09Å; F85-L260 HydrophobicContact CB-CD1 4.45Å; F85-L260 HydrophobicContact CD2-CD1 4.32Å |
| 86 | M | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 175.6 | -75.2 | 173.7 | 71.8 | 0 | 0 | 111.6 | K61 R82 L83 N90 L91 E92 F94 | K61-M86 HydrophobicContact CB-CE 4.49Å; R82-M86 HydrophobicContact CB-SD 4.31Å; R82-M86 HydrophobicContact CG-SD 4.18Å; R82-M86 VanDerWaalsContact O-CB 3.29Å; R82-M86 WeakPolarHBondContact O-CB 3.43Å; R82-M86 WeakPolarHBondContact O-CG 3.46Å; R82-M86 PolarHBondContact O-N 3.04Å; L83-M86 PolarHBondContact O-N 2.97Å; M86-N90 PolarHBondContact O-N 3.07Å; M86-N90 VanDerWaalsContact O-N 3.07Å; M86-L91 HydrophobicContact CB-CB 4.28Å; M86-L91 HydrophobicContact CG-CB 4.23Å; M86-L91 HydrophobicContact CG-CD1 4.44Å; M86-L91 PolarHBondContact O-N 2.88Å; M86-E92 VanDerWaalsContact CE-O 3.31Å; M86-E92 WeakPolarHBondContact CE-O 3.39Å; M86-F94 HydrophobicContact CG-CB 3.57Å; M86-F94 HydrophobicContact CG-CD1 4.35Å; M86-F94 HydrophobicContact CG-CG 4.32Å; M86-F94 HydrophobicContact SD-CB 4.02Å |
| 87 | K | 97.6 | Very high | 98.3 | Very high | 153 Ų | 153 | 36.3 Ų | 36.3 | 67% | 0.665 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -62.2 | -47.7 | 175.9 | -175.4 | 178.7 | 178.9 | -179.1 | 0 | 111.4 | L83 P84 F85 H89 N90 | L83-K87 PolarHBondContact O-N 3.48Å; L83-K87 VanDerWaalsContact O-N 3.12Å; P84-K87 PolarHBondContact O-N 3.12Å; F85-K87 VanDerWaalsContact C-N 3.3Å; F85-K87 PolarHBondContact O-N 3.26Å; K87-H89 PolarHBondContact O-N 2.87Å; K87-N90 PolarHBondContact O-N 3.46Å |
| 88 | K | 97.6 | Very high | 98.3 | Very high | 144 Ų | 144 | 36.4 Ų | 36.4 | 63% | 0.626 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62 | -40.7 | -179 | 177 | 63.2 | 176.6 | -177 | 0 | 112.7 | P84 F85 L260 | P84-K88 WeakPolarHBondContact O-CB 3.36Å; P84-K88 PolarHBondContact O-N 2.84Å; F85-K88 PolarHBondContact O-N 2.84Å; K88-L260 HydrophobicContact CB-CD1 3.59Å; K88-L260 HydrophobicContact CB-CD2 4.18Å; K88-L260 HydrophobicContact CD-CD2 4.23Å; K88-L260 HydrophobicContact CG-CD1 3.83Å; K88-L260 HydrophobicContact CG-CD2 4.03Å |
| 89 | H | 97.1 | Very high | 98.3 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.5 | -175.3 | -70.4 | -77.9 | 0 | 0 | 0 | 113.9 | F85 K87 L91 Y234 M244 | F85-H89 AromaticContact CD2-CD2 3.7Å; F85-H89 AromaticContact CE2-CD2 3.47Å; F85-H89 VanDerWaalsContact CE2-CD2 3.47Å; F85-H89 WeakPolarHBondContact CE2-CD2 3.48Å; F85-H89 AromaticContact CE2-NE2 3.58Å; F85-H89 AromaticContact CZ-CD2 3.67Å; F85-H89 PolarHBondContact O-CD2 2.99Å; F85-H89 PolarHBondContact O-N 2.76Å; K87-H89 PolarHBondContact O-N 2.87Å; H89-L91 VanDerWaalsContact C-N 3.3Å; H89-L91 HydrophobicContact CB-CD1 3.96Å; H89-L91 HydrophobicContact CB-CD2 4.23Å; H89-L91 HydrophobicContact CB-CG 3.79Å; H89-L91 PolarHBondContact O-N 3.28Å; H89-Y234 PolarHBondContact ND1-OH 2.89Å; H89-M244 WeakPolarHBondContact CE1-CE 3.34Å |
| 90 | N | 97.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 36.5 Ų | 36.5 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 46.7 | 179.8 | -165.7 | 29 | 0 | 0 | 0 | 113 | M86 K87 D236 K237 D238 | M86-N90 PolarHBondContact O-N 3.07Å; M86-N90 VanDerWaalsContact O-N 3.07Å; K87-N90 PolarHBondContact O-N 3.46Å; N90-D236 HydrophobicContact CB-CB 4.22Å; N90-D236 WeakPolarHBondContact O-CA 3.39Å; N90-D236 WeakPolarHBondContact O-CB 3.42Å; N90-K237 WeakPolarHBondContact O-CG 3.15Å; N90-K237 PolarHBondContact O-N 2.65Å; N90-K237 WeakPolarHBondContact OD1-CD 3.05Å; N90-D238 PolarHBondContact ND2-OD2 3.23Å |
| 91 | L | 98 | Very high | 98.3 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | trans | -93.8 | 136.7 | -176.2 | -56.2 | 174.7 | 0 | 0 | 0 | 111.2 | F85 M86 H89 F94 W232 Y234 K237 | F85-L91 HydrophobicContact CD1-CD1 4Å; F85-L91 HydrophobicContact CE1-CD1 3.8Å; M86-L91 HydrophobicContact CB-CB 4.28Å; M86-L91 HydrophobicContact CG-CB 4.23Å; M86-L91 HydrophobicContact CG-CD1 4.44Å; M86-L91 PolarHBondContact O-N 2.88Å; H89-L91 VanDerWaalsContact C-N 3.3Å; H89-L91 HydrophobicContact CB-CD1 3.96Å; H89-L91 HydrophobicContact CB-CD2 4.23Å; H89-L91 HydrophobicContact CB-CG 3.79Å; H89-L91 PolarHBondContact O-N 3.28Å; L91-F94 HydrophobicContact CB-CB 4.45Å; L91-F94 HydrophobicContact CD1-CB 3.83Å; L91-F94 HydrophobicContact CD1-CD2 3.72Å; L91-F94 HydrophobicContact CD1-CE2 4.5Å; L91-F94 HydrophobicContact CD1-CG 3.83Å; L91-W232 HydrophobicContact CD1-CH2 3.69Å; L91-W232 HydrophobicContact CD2-CH2 4.06Å; L91-Y234 HydrophobicContact CD2-CD2 3.27Å; L91-Y234 HydrophobicContact CD2-CE2 3.38Å; L91-Y234 HydrophobicContact CD2-CG 4.07Å; L91-K237 VanDerWaalsContact C-CE 3.43Å; L91-K237 WeakPolarHBondContact O-CE 3.16Å | ||
| 92 | E | 96.9 | Very high | 98.3 | Very high | 123 Ų | 123 | 36.4 Ų | 36.4 | 58% | 0.575 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -78.7 | -46 | 170.7 | -171.6 | 169.4 | -167.8 | 0 | 0 | 111.7 | M86 K237 | M86-E92 VanDerWaalsContact CE-O 3.31Å; M86-E92 WeakPolarHBondContact CE-O 3.39Å; E92-K237 HydrophobicContact CB-CG 4.08Å |
| 93 | E | 98.3 | Very high | 98.4 | Very high | 131 Ų | 131 | 36.3 Ų | 36.3 | 61% | 0.612 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -132.3 | 134.8 | -179.4 | -68.6 | -177.6 | -177.5 | 0 | 0 | 110.3 | K61 | K61-E93 HydrophobicContact CB-CG 4.16Å; K61-E93 CarbonylContact O-C 3.48Å; K61-E93 VanDerWaalsContact O-CA 3.31Å; K61-E93 WeakPolarHBondContact O-CA 3.48Å |
| 94 | F | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | trans | -159.5 | 144.7 | 176 | -176.4 | -97.3 | 0 | 0 | 0 | 112.1 | K61 R82 F85 M86 L91 F96 P160 W232 | K61-F94 PolarHBondContact O-N 3.37Å; R82-F94 HydrophobicContact CB-CD1 4.04Å; R82-F94 WeakPolarHBondContact CD-O 3.4Å; R82-F94 PolarHBondContact NH1-O 2.97Å; F85-F94 AromaticContact CD1-CD1 3.83Å; F85-F94 HydrophobicContact CD1-CD1 3.83Å; F85-F94 HydrophobicContact CD1-CD2 4.45Å; F85-F94 AromaticContact CD1-CE1 3.58Å; F85-F94 HydrophobicContact CD1-CE1 3.58Å; F85-F94 HydrophobicContact CD1-CE2 4.22Å; F85-F94 HydrophobicContact CD1-CG 4.26Å; F85-F94 AromaticContact CD1-CZ 3.79Å; F85-F94 HydrophobicContact CD1-CZ 3.79Å; F85-F94 HydrophobicContact CE1-CD1 4.18Å; F85-F94 HydrophobicContact CE1-CD2 4.05Å; F85-F94 AromaticContact CE1-CE1 3.74Å; F85-F94 HydrophobicContact CE1-CE1 3.74Å; F85-F94 AromaticContact CE1-CE2 3.59Å; F85-F94 HydrophobicContact CE1-CE2 3.59Å; F85-F94 HydrophobicContact CE1-CG 4.33Å; F85-F94 AromaticContact CE1-CZ 3.42Å; F85-F94 HydrophobicContact CE1-CZ 3.42Å; F85-F94 VanDerWaalsContact CE1-CZ 3.42Å; F85-F94 HydrophobicContact CZ-CE2 4.47Å; F85-F94 HydrophobicContact CZ-CZ 4.23Å; M86-F94 HydrophobicContact CG-CB 3.57Å; M86-F94 HydrophobicContact CG-CD1 4.35Å; M86-F94 HydrophobicContact CG-CG 4.32Å; M86-F94 HydrophobicContact SD-CB 4.02Å; L91-F94 HydrophobicContact CB-CB 4.45Å; L91-F94 HydrophobicContact CD1-CB 3.83Å; L91-F94 HydrophobicContact CD1-CD2 3.72Å; L91-F94 HydrophobicContact CD1-CE2 4.5Å; L91-F94 HydrophobicContact CD1-CG 3.83Å; F94-F96 AromaticContact CE1-CD1 3.51Å; F94-F96 HydrophobicContact CE1-CD1 3.51Å; F94-F96 AromaticContact CE1-CD2 3.92Å; F94-F96 HydrophobicContact CE1-CD2 3.92Å; F94-F96 AromaticContact CE1-CE1 3.41Å; F94-F96 HydrophobicContact CE1-CE1 3.41Å; F94-F96 VanDerWaalsContact CE1-CE1 3.41Å; F94-F96 AromaticContact CE1-CE2 3.87Å; F94-F96 HydrophobicContact CE1-CE2 3.87Å; F94-F96 AromaticContact CE1-CG 3.75Å; F94-F96 HydrophobicContact CE1-CG 3.75Å; F94-F96 AromaticContact CE1-CZ 3.63Å; F94-F96 HydrophobicContact CE1-CZ 3.63Å; F94-F96 AromaticContact CZ-CD1 3.61Å; F94-F96 HydrophobicContact CZ-CD1 3.61Å; F94-F96 AromaticContact CZ-CE1 3.53Å; F94-F96 HydrophobicContact CZ-CE1 3.53Å; F94-F96 HydrophobicContact CZ-CG 4.26Å; F94-F96 HydrophobicContact CZ-CZ 4.17Å; F94-P160 HydrophobicContact CE2-CB 3.87Å; F94-P160 HydrophobicContact CE2-CG 4.07Å; F94-P160 HydrophobicContact CZ-CB 4.21Å; F94-P160 HydrophobicContact CZ-CG 4.25Å; F94-W232 AromaticContact CD2-CH2 3.62Å; F94-W232 HydrophobicContact CD2-CH2 3.62Å; F94-W232 AromaticContact CD2-CZ2 3.6Å; F94-W232 HydrophobicContact CD2-CZ2 3.6Å; F94-W232 AromaticContact CE2-CH2 3.51Å; F94-W232 HydrophobicContact CE2-CH2 3.51Å; F94-W232 AromaticContact CE2-CZ2 3.58Å; F94-W232 HydrophobicContact CE2-CZ2 3.58Å; F94-W232 HydrophobicContact CE2-CZ3 4.03Å | ||
| 95 | E | 98.9 | Very high | 98.4 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | trans | -136.9 | 139.7 | 167.1 | -68.2 | -176.8 | 78.5 | 0 | 0 | 109 | P62 T64 Q98 K161 | P62-E95 HydrophobicContact CG-CG 4.32Å; T64-E95 HydrophobicContact CG2-CG 4.14Å; T64-E95 VanDerWaalsContact CG2-OE1 3.32Å; T64-E95 WeakPolarHBondContact CG2-OE1 3.48Å; E95-Q98 PolarHBondContact OE1-NE2 3.41Å; E95-K161 HydrophobicContact CB-CB 3.84Å; E95-K161 HydrophobicContact CB-CD 3.67Å; E95-K161 HydrophobicContact CB-CG 4.43Å; E95-K161 VanDerWaalsContact CD-CD 3.5Å; E95-K161 HydrophobicContact CG-CD 4.22Å; E95-K161 WeakPolarHBondContact O-CB 3.47Å; E95-K161 PolarHBondContact O-N 2.84Å; E95-K161 IonicContact OE1-NZ 2.85Å; E95-K161 PolarHBondContact OE1-NZ 2.92Å; E95-K161 WeakPolarHBondContact OE2-CD 3.49Å; E95-K161 IonicContact OE2-NZ 3.64Å; E95-K161 PolarHBondContact OE2-NZ 3.43Å | ||
| 96 | F | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -74.1 | 153.6 | 157.9 | -66.5 | -64.1 | 0 | 0 | 0 | 109.7 | L78 L81 R82 F85 F94 Q98 V158 I159 F252 V257 | L78-F96 HydrophobicContact CB-CB 4.2Å; L78-F96 HydrophobicContact CB-CD2 4.38Å; L78-F96 HydrophobicContact CD1-CB 3.87Å; L78-F96 HydrophobicContact CD2-CB 3.73Å; L78-F96 HydrophobicContact CD2-CD2 3.96Å; L78-F96 HydrophobicContact CD2-CG 4.07Å; L78-F96 HydrophobicContact CG-CB 4.13Å; L81-F96 HydrophobicContact CB-CD2 4.18Å; L81-F96 HydrophobicContact CB-CE2 3.73Å; R82-F96 HydrophobicContact CB-CD2 4.17Å; R82-F96 HydrophobicContact CB-CE2 4.04Å; F85-F96 HydrophobicContact CB-CZ 4.09Å; F85-F96 HydrophobicContact CD1-CE1 4.5Å; F85-F96 HydrophobicContact CD1-CZ 4.15Å; F85-F96 HydrophobicContact CD2-CZ 4.21Å; F85-F96 AromaticContact CG-CZ 3.89Å; F85-F96 HydrophobicContact CG-CZ 3.89Å; F94-F96 AromaticContact CE1-CD1 3.51Å; F94-F96 HydrophobicContact CE1-CD1 3.51Å; F94-F96 AromaticContact CE1-CD2 3.92Å; F94-F96 HydrophobicContact CE1-CD2 3.92Å; F94-F96 AromaticContact CE1-CE1 3.41Å; F94-F96 HydrophobicContact CE1-CE1 3.41Å; F94-F96 VanDerWaalsContact CE1-CE1 3.41Å; F94-F96 AromaticContact CE1-CE2 3.87Å; F94-F96 HydrophobicContact CE1-CE2 3.87Å; F94-F96 AromaticContact CE1-CG 3.75Å; F94-F96 HydrophobicContact CE1-CG 3.75Å; F94-F96 AromaticContact CE1-CZ 3.63Å; F94-F96 HydrophobicContact CE1-CZ 3.63Å; F94-F96 AromaticContact CZ-CD1 3.61Å; F94-F96 HydrophobicContact CZ-CD1 3.61Å; F94-F96 AromaticContact CZ-CE1 3.53Å; F94-F96 HydrophobicContact CZ-CE1 3.53Å; F94-F96 HydrophobicContact CZ-CG 4.26Å; F94-F96 HydrophobicContact CZ-CZ 4.17Å; F96-Q98 VanDerWaalsContact O-CD 3.26Å; F96-Q98 PolarHBondContact O-N 3.36Å; F96-Q98 VanDerWaalsContact O-N 3.17Å; F96-Q98 PolarHBondContact O-OE1 3.44Å; F96-V158 HydrophobicContact CD1-CB 4.11Å; F96-V158 HydrophobicContact CD1-CG2 3.95Å; F96-V158 HydrophobicContact CE1-CG2 3.89Å; F96-V158 HydrophobicContact CG-CB 4.49Å; F96-V158 HydrophobicContact CZ-CG2 4.43Å; F96-I159 CarbonylContact C-O 3.17Å; F96-I159 VanDerWaalsContact CA-O 3.3Å; F96-I159 WeakPolarHBondContact CA-O 3.35Å; F96-F252 HydrophobicContact CD1-CE1 4.25Å; F96-F252 AromaticContact CE1-CE1 3.69Å; F96-F252 HydrophobicContact CE1-CE1 3.69Å; F96-F252 HydrophobicContact CE1-CZ 4.1Å; F96-V257 HydrophobicContact CE1-CG2 3.94Å; F96-V257 HydrophobicContact CZ-CG1 4.24Å; F96-V257 HydrophobicContact CZ-CG2 3.84Å |
| 97 | S | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | trans | -70.1 | 108.9 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | S99 Y100 I159 F164 | S97-S99 PolarHBondContact OG-OG 3.21Å; S97-Y100 VanDerWaalsContact OG-CB 3.27Å; S97-Y100 WeakPolarHBondContact OG-CB 3.35Å; S97-Y100 PolarHBondContact OG-N 3.31Å; S97-I159 PolarHBondContact N-O 3.37Å; S97-F164 WeakPolarHBondContact CB-O 3.44Å; S97-F164 PolarHBondContact OG-O 3.36Å | ||
| 98 | Q | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72 | -36 | 173.2 | -53.9 | 90.6 | -13.2 | 0 | 0 | 111 | I74 F75 L78 E95 F96 Y100 L101 F102 | I74-Q98 HydrophobicContact CG2-CB 4.02Å; I74-Q98 HydrophobicContact CG2-CG 4.48Å; F75-Q98 HydrophobicContact CD1-CG 3.84Å; F75-Q98 HydrophobicContact CD2-CB 3.94Å; F75-Q98 HydrophobicContact CD2-CG 3.83Å; F75-Q98 HydrophobicContact CE1-CB 4.3Å; F75-Q98 HydrophobicContact CE1-CG 3.67Å; F75-Q98 HydrophobicContact CE2-CB 3.48Å; F75-Q98 VanDerWaalsContact CE2-CB 3.48Å; F75-Q98 HydrophobicContact CE2-CG 3.67Å; F75-Q98 HydrophobicContact CG-CG 3.93Å; F75-Q98 HydrophobicContact CZ-CB 3.67Å; F75-Q98 HydrophobicContact CZ-CG 3.57Å; L78-Q98 HydrophobicContact CD1-CB 4.33Å; L78-Q98 HydrophobicContact CD1-CG 3.89Å; E95-Q98 PolarHBondContact OE1-NE2 3.41Å; F96-Q98 VanDerWaalsContact O-CD 3.26Å; F96-Q98 PolarHBondContact O-N 3.36Å; F96-Q98 VanDerWaalsContact O-N 3.17Å; F96-Q98 PolarHBondContact O-OE1 3.44Å; Q98-Y100 VanDerWaalsContact C-N 3.27Å; Q98-Y100 PolarHBondContact O-N 3.44Å; Q98-L101 PolarHBondContact O-N 3.12Å; Q98-F102 WeakPolarHBondContact O-CB 3.24Å; Q98-F102 PolarHBondContact O-N 2.99Å |
| 99 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62 | -31 | 174.1 | 55.5 | 0 | 0 | 0 | 0 | 113 | S97 F102 F103 F164 P165 E166 | S97-S99 PolarHBondContact OG-OG 3.21Å; S99-F102 PolarHBondContact O-N 2.78Å; S99-F103 WeakPolarHBondContact O-CB 3.23Å; S99-F103 PolarHBondContact O-N 3.14Å; S99-F164 VanDerWaalsContact OG-CD1 3.3Å; S99-F164 WeakPolarHBondContact OG-CD1 3.42Å; S99-F164 PolarHBondContact OG-O 2.73Å; S99-P165 PolarHBondContact OG-O 3.48Å; S99-E166 WeakPolarHBondContact CB-OE1 3.15Å; S99-E166 PolarHBondContact N-OE1 3.39Å |
| 100 | Y | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 21.6 Ų | 21.6 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.2 | -49.7 | 177.4 | 176.7 | -99 | 0 | 0 | 0 | 112.1 | S97 Q98 F102 F103 W104 Y156 I159 P226 P249 | S97-Y100 VanDerWaalsContact OG-CB 3.27Å; S97-Y100 WeakPolarHBondContact OG-CB 3.35Å; S97-Y100 PolarHBondContact OG-N 3.31Å; Q98-Y100 VanDerWaalsContact C-N 3.27Å; Q98-Y100 PolarHBondContact O-N 3.44Å; Y100-F102 VanDerWaalsContact C-N 3.31Å; Y100-F102 PolarHBondContact O-N 2.99Å; Y100-F103 PolarHBondContact O-N 3.47Å; Y100-W104 AromaticContact CE1-CD1 3.78Å; Y100-W104 AromaticContact CE1-NE1 3.93Å; Y100-W104 AromaticContact CE2-CD1 3.87Å; Y100-W104 AromaticContact CE2-NE1 3.33Å; Y100-W104 VanDerWaalsContact CE2-NE1 3.33Å; Y100-W104 AromaticContact CZ-CD1 3.59Å; Y100-W104 AromaticContact CZ-NE1 3.24Å; Y100-W104 PolarHBondContact O-N 3.39Å; Y100-W104 PolarHBondContact OH-NE1 2.53Å; Y100-Y156 WeakPolarHBondContact CE1-O 3.47Å; Y100-Y156 PolarHBondContact OH-O 2.88Å; Y100-I159 HydrophobicContact CD1-CD1 4.48Å; Y100-I159 HydrophobicContact CD1-CG1 4.15Å; Y100-I159 HydrophobicContact CD2-CD1 3.38Å; Y100-I159 HydrophobicContact CD2-CG1 3.94Å; Y100-I159 HydrophobicContact CE2-CD1 3.94Å; Y100-I159 HydrophobicContact CG-CD1 3.7Å; Y100-I159 HydrophobicContact CG-CG1 3.74Å; Y100-P226 HydrophobicContact CD2-CB 3.97Å; Y100-P226 HydrophobicContact CE2-CB 3.76Å; Y100-P249 HydrophobicContact CE1-CB 4.32Å; Y100-P249 HydrophobicContact CE2-CB 4.39Å; Y100-P249 HydrophobicContact CE2-CG 4.14Å; Y100-P249 WeakPolarHBondContact OH-CB 3.49Å; Y100-P249 WeakPolarHBondContact OH-CG 3Å |
| 101 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 175.5 | -66.9 | -172 | 0 | 0 | 0 | 111.4 | I74 L78 Q98 F103 W104 D105 L152 I153 G157 V158 | I74-L101 HydrophobicContact CD1-CB 4.4Å; I74-L101 HydrophobicContact CG2-CB 4.04Å; I74-L101 HydrophobicContact CG2-CD1 4.27Å; L78-L101 HydrophobicContact CD1-CD1 4.02Å; L78-L101 HydrophobicContact CD2-CD1 3.89Å; L78-L101 HydrophobicContact CG-CD1 4.12Å; Q98-L101 PolarHBondContact O-N 3.12Å; L101-F103 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.28Å; L101-W104 PolarHBondContact O-N 3.2Å; L101-D105 WeakPolarHBondContact O-CB 3.24Å; L101-D105 PolarHBondContact O-N 2.94Å; L101-L152 HydrophobicContact CD2-CB 4.31Å; L101-I153 HydrophobicContact CD1-CD1 4.02Å; L101-I153 HydrophobicContact CD1-CG1 3.91Å; L101-I153 HydrophobicContact CD2-CG1 4.07Å; L101-G157 WeakPolarHBondContact CD2-O 3.49Å; L101-V158 HydrophobicContact CD1-CG1 4.38Å; L101-V158 HydrophobicContact CD2-CG1 4.43Å |
| 102 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.3 | -177.2 | -125.3 | 0 | 0 | 0 | 112.9 | R71 I74 Q98 S99 Y100 K106 D142 M176 L223 | R71-F102 VanDerWaalsContact CD-CG 3.41Å; R71-F102 HydrophobicContact CG-CD2 3.72Å; R71-F102 HydrophobicContact CG-CE2 3.97Å; R71-F102 HydrophobicContact CG-CG 4.12Å; I74-F102 HydrophobicContact CD1-CB 4.14Å; I74-F102 HydrophobicContact CD1-CD2 4.43Å; Q98-F102 WeakPolarHBondContact O-CB 3.24Å; Q98-F102 PolarHBondContact O-N 2.99Å; S99-F102 PolarHBondContact O-N 2.78Å; Y100-F102 VanDerWaalsContact C-N 3.31Å; Y100-F102 PolarHBondContact O-N 2.99Å; F102-K106 WeakPolarHBondContact O-CB 3.37Å; F102-K106 PolarHBondContact O-N 3.45Å; F102-D142 HydrophobicContact CE2-CB 4.1Å; F102-D142 VanDerWaalsContact CE2-OD1 3.25Å; F102-D142 WeakPolarHBondContact CE2-OD1 3.2Å; F102-D142 VanDerWaalsContact CZ-OD1 3.29Å; F102-D142 WeakPolarHBondContact CZ-OD1 3.27Å; F102-M176 HydrophobicContact CE1-CE 3.6Å; F102-M176 HydrophobicContact CZ-CE 3.69Å; F102-L223 HydrophobicContact CD1-CD1 4.06Å; F102-L223 HydrophobicContact CD1-CD2 4.11Å; F102-L223 HydrophobicContact CE1-CD1 4.31Å; F102-L223 HydrophobicContact CE1-CD2 4.11Å |
| 103 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -54.7 | 173.7 | 178.2 | -82.6 | 0 | 0 | 0 | 110.7 | S99 Y100 L101 D105 K106 I107 F216 A219 L223 G224 P226 | S99-F103 WeakPolarHBondContact O-CB 3.23Å; S99-F103 PolarHBondContact O-N 3.14Å; Y100-F103 PolarHBondContact O-N 3.47Å; L101-F103 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.28Å; F103-D105 PolarHBondContact O-N 3.11Å; F103-K106 PolarHBondContact O-N 2.85Å; F103-I107 HydrophobicContact CD1-CG1 4.39Å; F103-I107 HydrophobicContact CE1-CG1 3.97Å; F103-I107 HydrophobicContact CZ-CG1 4.25Å; F103-I107 PolarHBondContact O-N 3.25Å; F103-F216 AromaticContact CE1-CE2 3.93Å; F103-F216 HydrophobicContact CE1-CE2 3.93Å; F103-F216 HydrophobicContact CE1-CZ 4.17Å; F103-F216 HydrophobicContact CZ-CD2 4.32Å; F103-F216 HydrophobicContact CZ-CE1 4.27Å; F103-F216 AromaticContact CZ-CE2 3.78Å; F103-F216 HydrophobicContact CZ-CE2 3.78Å; F103-F216 AromaticContact CZ-CZ 3.76Å; F103-F216 HydrophobicContact CZ-CZ 3.76Å; F103-A219 HydrophobicContact CD2-CB 4.35Å; F103-A219 HydrophobicContact CE2-CB 4Å; F103-L223 HydrophobicContact CB-CD1 4.12Å; F103-L223 HydrophobicContact CD2-CB 4.07Å; F103-L223 HydrophobicContact CD2-CD1 4.02Å; F103-G224 WeakPolarHBondContact CE2-O 3.14Å; F103-P226 HydrophobicContact CB-CG 4.34Å; F103-P226 HydrophobicContact CD1-CG 3.23Å; F103-P226 HydrophobicContact CD2-CG 4.09Å; F103-P226 HydrophobicContact CE1-CG 3.41Å; F103-P226 VanDerWaalsContact CE1-CG 3.41Å; F103-P226 HydrophobicContact CE2-CG 4.23Å; F103-P226 HydrophobicContact CG-CG 3.62Å; F103-P226 HydrophobicContact CZ-CG 3.92Å |
| 104 | W | 98.9 | Very high | 98.9 | Very high | 44 Ų | 44 | 12.8 Ų | 12.8 | 17% | 0.167 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | -177 | -72.1 | 121 | 0 | 0 | 0 | 112.8 | Y100 L101 K106 I107 E108 L152 Y156 F216 P226 | Y100-W104 AromaticContact CE1-CD1 3.78Å; Y100-W104 AromaticContact CE1-NE1 3.93Å; Y100-W104 AromaticContact CE2-CD1 3.87Å; Y100-W104 AromaticContact CE2-NE1 3.33Å; Y100-W104 VanDerWaalsContact CE2-NE1 3.33Å; Y100-W104 AromaticContact CZ-CD1 3.59Å; Y100-W104 AromaticContact CZ-NE1 3.24Å; Y100-W104 PolarHBondContact O-N 3.39Å; Y100-W104 PolarHBondContact OH-NE1 2.53Å; L101-W104 PolarHBondContact O-N 3.2Å; W104-K106 VanDerWaalsContact C-N 3.32Å; W104-K106 PolarHBondContact O-N 3.12Å; W104-I107 PolarHBondContact O-N 3.43Å; W104-E108 WeakPolarHBondContact O-CB 3.05Å; W104-E108 WeakPolarHBondContact O-CG 3.42Å; W104-E108 PolarHBondContact O-N 3.22Å; W104-L152 HydrophobicContact CB-CD2 3.93Å; W104-Y156 HydrophobicContact CB-CD2 3.74Å; W104-Y156 HydrophobicContact CB-CE2 3.96Å; W104-Y156 HydrophobicContact CB-CG 4.09Å; W104-Y156 AromaticContact CD1-CD1 3.95Å; W104-Y156 AromaticContact CD1-CG 3.69Å; W104-Y156 AromaticContact CD2-CD1 3.43Å; W104-Y156 HydrophobicContact CD2-CD1 3.43Å; W104-Y156 VanDerWaalsContact CD2-CD1 3.43Å; W104-Y156 HydrophobicContact CD2-CD2 4.09Å; W104-Y156 AromaticContact CD2-CE1 3.42Å; W104-Y156 HydrophobicContact CD2-CE1 3.42Å; W104-Y156 VanDerWaalsContact CD2-CE1 3.42Å; W104-Y156 HydrophobicContact CD2-CE2 4.08Å; W104-Y156 AromaticContact CD2-CG 3.76Å; W104-Y156 HydrophobicContact CD2-CG 3.76Å; W104-Y156 AromaticContact CD2-CZ 3.74Å; W104-Y156 AromaticContact CE2-CD1 3.39Å; W104-Y156 AromaticContact CE2-CE1 3.67Å; W104-Y156 AromaticContact CE2-CG 3.98Å; W104-Y156 AromaticContact CE3-CD1 3.87Å; W104-Y156 HydrophobicContact CE3-CD1 3.87Å; W104-Y156 AromaticContact CE3-CE1 3.31Å; W104-Y156 HydrophobicContact CE3-CE1 3.31Å; W104-Y156 HydrophobicContact CE3-CE2 4.05Å; W104-Y156 HydrophobicContact CE3-CG 4.43Å; W104-Y156 AromaticContact CE3-CZ 3.39Å; W104-Y156 AromaticContact CG-CD1 3.8Å; W104-Y156 HydrophobicContact CG-CD1 3.8Å; W104-Y156 AromaticContact CG-CD2 3.74Å; W104-Y156 HydrophobicContact CG-CD2 3.74Å; W104-Y156 HydrophobicContact CG-CE1 4.12Å; W104-Y156 HydrophobicContact CG-CE2 4.07Å; W104-Y156 AromaticContact CG-CG 3.58Å; W104-Y156 HydrophobicContact CG-CG 3.58Å; W104-Y156 HydrophobicContact CH2-CD1 4.23Å; W104-Y156 AromaticContact CH2-CE1 3.77Å; W104-Y156 HydrophobicContact CH2-CE1 3.77Å; W104-Y156 AromaticContact CZ2-CD1 3.82Å; W104-Y156 HydrophobicContact CZ2-CD1 3.82Å; W104-Y156 AromaticContact CZ2-CE1 3.85Å; W104-Y156 HydrophobicContact CZ2-CE1 3.85Å; W104-Y156 HydrophobicContact CZ3-CD1 4.25Å; W104-Y156 AromaticContact CZ3-CE1 3.5Å; W104-Y156 HydrophobicContact CZ3-CE1 3.5Å; W104-Y156 AromaticContact CZ3-CZ 3.87Å; W104-Y156 AromaticContact NE1-CD1 3.69Å; W104-Y156 AromaticContact NE1-CG 3.89Å; W104-F216 HydrophobicContact CZ3-CE2 4.36Å; W104-P226 HydrophobicContact CZ2-CB 4.15Å; W104-P226 HydrophobicContact CZ2-CG 4.1Å |
| 105 | D | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 172.7 | -174.1 | 69.8 | 0 | 0 | 0 | 111.2 | W73 L101 F103 I107 E108 R109 L152 N290 | W73-D105 HydrophobicContact CH2-CB 4.31Å; W73-D105 WeakPolarHBondContact CH2-OD1 3.26Å; W73-D105 HydrophobicContact CZ2-CB 4.38Å; L101-D105 WeakPolarHBondContact O-CB 3.24Å; L101-D105 PolarHBondContact O-N 2.94Å; F103-D105 PolarHBondContact O-N 3.11Å; D105-I107 VanDerWaalsContact C-N 3.35Å; D105-I107 PolarHBondContact O-N 2.81Å; D105-E108 PolarHBondContact O-N 3.3Å; D105-R109 WeakPolarHBondContact O-CB 3.22Å; D105-R109 PolarHBondContact O-N 2.84Å; D105-R109 IonicContact OD1-CZ 2.69Å; D105-R109 IonicContact OD1-NE 2.72Å; D105-R109 IonicContact OD1-NH2 3.9Å; D105-R109 PolarHBondContact OD1-NH2 2.8Å; D105-R109 IonicContact OD2-CZ 2.74Å; D105-R109 IonicContact OD2-NE 2.74Å; D105-R109 PolarHBondContact OD2-NE 2.82Å; D105-R109 IonicContact OD2-NH2 3.32Å; D105-R109 PolarHBondContact OD2-NH2 2.94Å; D105-L152 HydrophobicContact CB-CD1 3.66Å; D105-L152 HydrophobicContact CB-CD2 4.31Å; D105-N290 WeakPolarHBondContact OD1-CB 3.36Å; D105-N290 PolarHBondContact OD1-ND2 3.19Å |
| 106 | K | 98.7 | Very high | 98.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | -176 | -163.6 | 62.3 | 55.9 | 176.4 | 0 | 111.6 | F102 F103 W104 C110 T140 N141 D142 M176 N177 L180 | F102-K106 WeakPolarHBondContact O-CB 3.37Å; F102-K106 PolarHBondContact O-N 3.45Å; F103-K106 PolarHBondContact O-N 2.85Å; W104-K106 VanDerWaalsContact C-N 3.32Å; W104-K106 PolarHBondContact O-N 3.12Å; K106-C110 WeakPolarHBondContact O-CB 3.46Å; K106-C110 PolarHBondContact O-N 3.17Å; K106-C110 VanDerWaalsContact O-N 3.13Å; K106-C110 PolarHBondContact O-SG 3.02Å; K106-T140 HydrophobicContact CD-CG2 4.34Å; K106-T140 PolarHBondContact NZ-O 3.1Å; K106-N141 PolarHBondContact NZ-O 3.42Å; K106-D142 IonicContact NZ-OD1 2.62Å; K106-D142 PolarHBondContact NZ-OD1 3.35Å; K106-M176 HydrophobicContact CG-CE 4.39Å; K106-N177 WeakPolarHBondContact CE-OD1 3.47Å; K106-N177 PolarHBondContact NZ-OD1 2.96Å; K106-L180 HydrophobicContact CD-CD1 3.75Å; K106-L180 HydrophobicContact CG-CD1 3.58Å |
| 107 | I | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 7% | 0.067 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.1 | -54.8 | 177.4 | -59.8 | -53.7 | 0 | 0 | 0 | 110.7 | F103 W104 D105 R109 C110 Y111 I212 V215 F216 A219 | F103-I107 HydrophobicContact CD1-CG1 4.39Å; F103-I107 HydrophobicContact CE1-CG1 3.97Å; F103-I107 HydrophobicContact CZ-CG1 4.25Å; F103-I107 PolarHBondContact O-N 3.25Å; W104-I107 PolarHBondContact O-N 3.43Å; D105-I107 VanDerWaalsContact C-N 3.35Å; D105-I107 PolarHBondContact O-N 2.81Å; I107-R109 VanDerWaalsContact C-N 3.31Å; I107-R109 PolarHBondContact O-N 3.25Å; I107-C110 WeakPolarHBondContact O-CB 3.5Å; I107-C110 PolarHBondContact O-N 2.72Å; I107-Y111 PolarHBondContact O-N 2.83Å; I107-I212 HydrophobicContact CG2-CD1 4.28Å; I107-I212 HydrophobicContact CG2-CG1 4.26Å; I107-V215 HydrophobicContact CD1-CG1 3.82Å; I107-F216 HydrophobicContact CD1-CB 4.28Å; I107-F216 HydrophobicContact CD1-CD2 3.99Å; I107-F216 HydrophobicContact CD1-CG 4.41Å; I107-F216 HydrophobicContact CG1-CD2 4.11Å; I107-F216 HydrophobicContact CG2-CD2 4.34Å; I107-A219 HydrophobicContact CD1-CB 3.58Å |
| 108 | E | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | -174.4 | -72.4 | -80.1 | -150.3 | 0 | 0 | 111.9 | W104 D105 Y111 Y112 K155 Y156 N290 M291 | W104-E108 WeakPolarHBondContact O-CB 3.05Å; W104-E108 WeakPolarHBondContact O-CG 3.42Å; W104-E108 PolarHBondContact O-N 3.22Å; D105-E108 PolarHBondContact O-N 3.3Å; E108-Y111 WeakPolarHBondContact O-CB 3.47Å; E108-Y111 PolarHBondContact O-N 2.91Å; E108-Y112 WeakPolarHBondContact O-CB 3.41Å; E108-Y112 PolarHBondContact O-N 3.12Å; E108-K155 WeakPolarHBondContact OE1-CE 3.43Å; E108-K155 IonicContact OE1-NZ 3.47Å; E108-K155 PolarHBondContact OE1-NZ 2.68Å; E108-Y156 HydrophobicContact CG-CE2 3.95Å; E108-Y156 PolarHBondContact OE1-OH 3.44Å; E108-N290 CarbonylContact C-O 3.5Å; E108-N290 WeakPolarHBondContact CB-O 3.49Å; E108-M291 HydrophobicContact CG-CE 4.03Å |
| 109 | R | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 18.8 Ų | 18.8 | 9% | 0.087 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 175.7 | -176.9 | -178.8 | -59.1 | -82.4 | -3.8 | 112 | D105 I107 Y111 Y112 F113 N141 G143 M148 N290 | D105-R109 WeakPolarHBondContact O-CB 3.22Å; D105-R109 PolarHBondContact O-N 2.84Å; D105-R109 IonicContact OD1-CZ 2.69Å; D105-R109 IonicContact OD1-NE 2.72Å; D105-R109 IonicContact OD1-NH2 3.9Å; D105-R109 PolarHBondContact OD1-NH2 2.8Å; D105-R109 IonicContact OD2-CZ 2.74Å; D105-R109 IonicContact OD2-NE 2.74Å; D105-R109 PolarHBondContact OD2-NE 2.82Å; D105-R109 IonicContact OD2-NH2 3.32Å; D105-R109 PolarHBondContact OD2-NH2 2.94Å; I107-R109 VanDerWaalsContact C-N 3.31Å; I107-R109 PolarHBondContact O-N 3.25Å; R109-Y111 VanDerWaalsContact C-N 3.32Å; R109-Y112 PolarHBondContact O-N 3.15Å; R109-F113 WeakPolarHBondContact O-CB 3.19Å; R109-F113 PolarHBondContact O-N 3.45Å; R109-N141 PolarHBondContact NE-O 3.46Å; R109-G143 PolarHBondContact NH2-O 2.98Å; R109-G143 VanDerWaalsContact NH2-O 3.12Å; R109-M148 PolarHBondContact NH2-SD 3.37Å; R109-M148 VanDerWaalsContact NH2-SD 3.39Å; R109-N290 HydrophobicContact CB-CB 4.32Å; R109-N290 PolarHBondContact N-O 2.8Å; R109-N290 VanDerWaalsContact N-O 3.08Å |
| 110 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 173.6 | -70 | 0 | 0 | 0 | 0 | 110.4 | K106 I107 Y112 F113 L114 L184 I212 V215 | K106-C110 WeakPolarHBondContact O-CB 3.46Å; K106-C110 PolarHBondContact O-N 3.17Å; K106-C110 VanDerWaalsContact O-N 3.13Å; K106-C110 PolarHBondContact O-SG 3.02Å; I107-C110 WeakPolarHBondContact O-CB 3.5Å; I107-C110 PolarHBondContact O-N 2.72Å; C110-Y112 PolarHBondContact O-N 3.35Å; C110-F113 PolarHBondContact O-N 2.89Å; C110-L114 WeakPolarHBondContact O-CG 3.49Å; C110-L114 PolarHBondContact O-N 3.34Å; C110-L184 HydrophobicContact CB-CD1 4.36Å; C110-L184 HydrophobicContact CB-CD2 4.1Å; C110-I212 HydrophobicContact CB-CD1 4Å; C110-V215 HydrophobicContact CB-CB 4.47Å; C110-V215 HydrophobicContact CB-CG1 3.71Å; C110-V215 HydrophobicContact CB-CG2 4.1Å |
| 111 | Y | 98.9 | Very high | 98.8 | Very high | 61 Ų | 61 | 19.2 Ų | 19.2 | 24% | 0.239 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.7 | -172.6 | -119 | 0 | 0 | 0 | 111.6 | I107 E108 R109 F113 L114 H115 I208 I212 V292 | I107-Y111 PolarHBondContact O-N 2.83Å; E108-Y111 WeakPolarHBondContact O-CB 3.47Å; E108-Y111 PolarHBondContact O-N 2.91Å; R109-Y111 VanDerWaalsContact C-N 3.32Å; Y111-F113 VanDerWaalsContact C-N 3.33Å; Y111-F113 PolarHBondContact O-N 2.9Å; Y111-L114 PolarHBondContact O-N 3.04Å; Y111-H115 AromaticContact CE1-NE2 3.77Å; Y111-H115 AromaticContact CE2-CD2 3.9Å; Y111-H115 AromaticContact CE2-NE2 3.48Å; Y111-H115 WeakPolarHBondContact CE2-NE2 3.24Å; Y111-H115 AromaticContact CZ-CD2 3.79Å; Y111-H115 AromaticContact CZ-NE2 3.18Å; Y111-H115 PolarHBondContact O-CD2 3.09Å; Y111-H115 PolarHBondContact O-N 3.39Å; Y111-H115 PolarHBondContact OH-NE2 2.69Å; Y111-H115 VanDerWaalsContact OH-NE2 3.13Å; Y111-I208 HydrophobicContact CD2-CG2 3.69Å; Y111-I208 HydrophobicContact CE2-CG2 3.4Å; Y111-I208 VanDerWaalsContact CE2-CG2 3.4Å; Y111-I212 HydrophobicContact CD2-CB 4.42Å; Y111-I212 HydrophobicContact CD2-CD1 4.43Å; Y111-I212 HydrophobicContact CD2-CG1 4.26Å; Y111-V292 HydrophobicContact CD1-CB 4.05Å; Y111-V292 HydrophobicContact CD1-CG2 3.55Å; Y111-V292 HydrophobicContact CE1-CB 3.87Å; Y111-V292 HydrophobicContact CE1-CG1 4.48Å; Y111-V292 HydrophobicContact CE1-CG2 3.69Å; Y111-V292 HydrophobicContact CG-CG2 4.39Å |
| 112 | Y | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 24.5 Ų | 24.5 | 22% | 0.22 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.9 | -45.5 | 173.9 | -177.7 | -94 | 0 | 0 | 0 | 112.5 | E108 R109 C110 L114 H115 A116 F287 G289 V292 | E108-Y112 WeakPolarHBondContact O-CB 3.41Å; E108-Y112 PolarHBondContact O-N 3.12Å; R109-Y112 PolarHBondContact O-N 3.15Å; C110-Y112 PolarHBondContact O-N 3.35Å; Y112-L114 PolarHBondContact O-N 3.47Å; Y112-H115 PolarHBondContact O-N 2.6Å; Y112-A116 PolarHBondContact O-N 2.95Å; Y112-F287 WeakPolarHBondContact CE1-O 3.4Å; Y112-F287 WeakPolarHBondContact OH-CA 3.29Å; Y112-G289 WeakPolarHBondContact CD1-O 3.12Å; Y112-V292 HydrophobicContact CD2-CG2 4.34Å |
| 113 | F | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 178 | 174.3 | -94.5 | 0 | 0 | 0 | 113 | R109 C110 Y111 H115 A116 C117 L135 L136 P139 L184 C188 | R109-F113 WeakPolarHBondContact O-CB 3.19Å; R109-F113 PolarHBondContact O-N 3.45Å; C110-F113 PolarHBondContact O-N 2.89Å; Y111-F113 VanDerWaalsContact C-N 3.33Å; Y111-F113 PolarHBondContact O-N 2.9Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3Å; F113-A116 WeakPolarHBondContact O-CB 3.35Å; F113-A116 PolarHBondContact O-N 3.19Å; F113-C117 WeakPolarHBondContact CE1-SG 3.37Å; F113-C117 WeakPolarHBondContact CZ-SG 3.37Å; F113-C117 PolarHBondContact O-N 2.85Å; F113-C117 PolarHBondContact O-SG 3.24Å; F113-L135 HydrophobicContact CE2-CB 3.92Å; F113-L135 VanDerWaalsContact CE2-O 3.3Å; F113-L135 WeakPolarHBondContact CE2-O 3.44Å; F113-L136 HydrophobicContact CZ-CD2 3.91Å; F113-P139 HydrophobicContact CD1-CB 4.08Å; F113-P139 HydrophobicContact CD2-CB 3.52Å; F113-P139 HydrophobicContact CE1-CB 4.11Å; F113-P139 HydrophobicContact CE2-CB 3.55Å; F113-P139 HydrophobicContact CE2-CG 4.36Å; F113-P139 HydrophobicContact CG-CB 3.79Å; F113-P139 HydrophobicContact CZ-CB 3.85Å; F113-P139 HydrophobicContact CZ-CG 4.27Å; F113-L184 HydrophobicContact CD1-CB 4.01Å; F113-L184 HydrophobicContact CD1-CD1 3.96Å; F113-L184 HydrophobicContact CD1-CD2 4.1Å; F113-L184 HydrophobicContact CD1-CG 4.26Å; F113-L184 HydrophobicContact CE1-CB 3.79Å; F113-L184 HydrophobicContact CE1-CD1 4.48Å; F113-L184 HydrophobicContact CG-CD1 4.42Å; F113-C188 HydrophobicContact CE1-CB 4.42Å; F113-C188 HydrophobicContact CZ-CB 4.44Å |
| 114 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.2 | -65.1 | 175.8 | 0 | 0 | 0 | 111.4 | C110 Y111 Y112 C117 V118 L184 Y187 L191 I208 M211 | C110-L114 WeakPolarHBondContact O-CG 3.49Å; C110-L114 PolarHBondContact O-N 3.34Å; Y111-L114 PolarHBondContact O-N 3.04Å; Y112-L114 PolarHBondContact O-N 3.47Å; L114-C117 WeakPolarHBondContact O-CB 3.41Å; L114-C117 PolarHBondContact O-N 2.82Å; L114-V118 PolarHBondContact O-N 3.18Å; L114-L184 HydrophobicContact CD2-CD2 4.05Å; L114-L184 HydrophobicContact CG-CD2 4.39Å; L114-Y187 HydrophobicContact CD2-CD2 3.9Å; L114-Y187 HydrophobicContact CD2-CG 4.21Å; L114-L191 HydrophobicContact CB-CD1 4.01Å; L114-L191 HydrophobicContact CD2-CD1 3.78Å; L114-L191 HydrophobicContact CG-CD1 4.47Å; L114-I208 HydrophobicContact CB-CG1 4.31Å; L114-I208 HydrophobicContact CB-CG2 4.24Å; L114-I208 HydrophobicContact CD1-CG2 4.02Å; L114-M211 HydrophobicContact CD1-CB 3.78Å; L114-M211 HydrophobicContact CD1-SD 4.44Å; L114-M211 HydrophobicContact CD2-SD 4.14Å |
| 115 | H | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 30% | 0.301 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 172.6 | -80.4 | -94.5 | 0 | 0 | 0 | 112 | Y111 Y112 F113 C117 V118 E119 V292 | Y111-H115 AromaticContact CE1-NE2 3.77Å; Y111-H115 AromaticContact CE2-CD2 3.9Å; Y111-H115 AromaticContact CE2-NE2 3.48Å; Y111-H115 WeakPolarHBondContact CE2-NE2 3.24Å; Y111-H115 AromaticContact CZ-CD2 3.79Å; Y111-H115 AromaticContact CZ-NE2 3.18Å; Y111-H115 PolarHBondContact O-CD2 3.09Å; Y111-H115 PolarHBondContact O-N 3.39Å; Y111-H115 PolarHBondContact OH-NE2 2.69Å; Y111-H115 VanDerWaalsContact OH-NE2 3.13Å; Y112-H115 PolarHBondContact O-N 2.6Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3Å; H115-C117 VanDerWaalsContact C-N 3.29Å; H115-C117 PolarHBondContact O-N 3.14Å; H115-V118 PolarHBondContact O-N 2.9Å; H115-E119 PolarHBondContact O-N 2.71Å; H115-V292 HydrophobicContact CB-CG2 3.99Å |
| 116 | A | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -35 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y112 F113 E119 T120 L135 F287 | Y112-A116 PolarHBondContact O-N 2.95Å; F113-A116 WeakPolarHBondContact O-CB 3.35Å; F113-A116 PolarHBondContact O-N 3.19Å; A116-E119 PolarHBondContact O-N 3.38Å; A116-T120 WeakPolarHBondContact O-CB 3.07Å; A116-T120 VanDerWaalsContact O-CG2 3.32Å; A116-T120 WeakPolarHBondContact O-CG2 3.33Å; A116-T120 PolarHBondContact O-N 2.77Å; A116-T120 PolarHBondContact O-OG1 3.29Å; A116-L135 HydrophobicContact CB-CD1 4.48Å; A116-F287 HydrophobicContact CB-CD1 3.55Å; A116-F287 HydrophobicContact CB-CE1 3.74Å |
| 117 | C | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 173.7 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | F113 L114 H115 T120 A121 C188 L191 | F113-C117 WeakPolarHBondContact CE1-SG 3.37Å; F113-C117 WeakPolarHBondContact CZ-SG 3.37Å; F113-C117 PolarHBondContact O-N 2.85Å; F113-C117 PolarHBondContact O-SG 3.24Å; L114-C117 WeakPolarHBondContact O-CB 3.41Å; L114-C117 PolarHBondContact O-N 2.82Å; H115-C117 VanDerWaalsContact C-N 3.29Å; H115-C117 PolarHBondContact O-N 3.14Å; C117-T120 PolarHBondContact O-OG1 3.22Å; C117-A121 VanDerWaalsContact O-CB 3.27Å; C117-A121 WeakPolarHBondContact O-CB 3.27Å; C117-A121 PolarHBondContact O-N 3.35Å; C117-C188 HydrophobicContact CB-CB 4.47Å; C117-C188 VanDerWaalsContact SG-CB 3.59Å; C117-C188 PolarHBondContact SG-SG 3.02Å; C117-L191 HydrophobicContact CB-CD1 4.12Å |
| 118 | V | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L114 H115 A121 Q122 L191 V195 L204 I208 | L114-V118 PolarHBondContact O-N 3.18Å; H115-V118 PolarHBondContact O-N 2.9Å; V118-A121 WeakPolarHBondContact O-CB 3.39Å; V118-A121 PolarHBondContact O-N 3.43Å; V118-Q122 HydrophobicContact CG1-CG 4.41Å; V118-Q122 VanDerWaalsContact O-CG 3.31Å; V118-Q122 WeakPolarHBondContact O-CG 3.22Å; V118-Q122 PolarHBondContact O-N 3.22Å; V118-L191 HydrophobicContact CG2-CB 4.22Å; V118-L191 HydrophobicContact CG2-CD1 4.21Å; V118-L191 HydrophobicContact CG2-CD2 4.11Å; V118-L191 HydrophobicContact CG2-CG 4.41Å; V118-V195 HydrophobicContact CG1-CG2 4.13Å; V118-L204 HydrophobicContact CG1-CD1 4.12Å; V118-L204 HydrophobicContact CG2-CD2 4.3Å; V118-I208 HydrophobicContact CG2-CD1 4.15Å |
| 119 | E | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -49.3 | -179.7 | -170 | -167.6 | 135.4 | 0 | 0 | 111.7 | H115 A116 A121 Q122 R123 F287 | H115-E119 PolarHBondContact O-N 2.71Å; A116-E119 PolarHBondContact O-N 3.38Å; E119-A121 VanDerWaalsContact C-N 3.3Å; E119-A121 PolarHBondContact O-N 2.92Å; E119-Q122 PolarHBondContact O-N 3.04Å; E119-R123 WeakPolarHBondContact O-CG 3.36Å; E119-R123 PolarHBondContact O-N 3.26Å; E119-R123 IonicContact OE1-NH1 2.94Å; E119-R123 PolarHBondContact OE1-NH1 3.19Å; E119-F287 HydrophobicContact CB-CE1 4.45Å; E119-F287 HydrophobicContact CG-CZ 4.43Å; E119-F287 VanDerWaalsContact OE1-CZ 3.28Å; E119-F287 WeakPolarHBondContact OE1-CZ 3.17Å; E119-F287 WeakPolarHBondContact OE2-CE1 3.47Å |
| 120 | T | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -31.8 | 179 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | A116 C117 K124 E125 L131 L135 F287 | A116-T120 WeakPolarHBondContact O-CB 3.07Å; A116-T120 VanDerWaalsContact O-CG2 3.32Å; A116-T120 WeakPolarHBondContact O-CG2 3.33Å; A116-T120 PolarHBondContact O-N 2.77Å; A116-T120 PolarHBondContact O-OG1 3.29Å; C117-T120 PolarHBondContact O-OG1 3.22Å; T120-K124 PolarHBondContact O-N 2.87Å; T120-E125 HydrophobicContact CG2-CG 4.48Å; T120-E125 WeakPolarHBondContact O-CB 3.2Å; T120-E125 PolarHBondContact O-N 2.72Å; T120-L131 HydrophobicContact CG2-CD2 3.98Å; T120-L131 HydrophobicContact CG2-CG 4.33Å; T120-L135 HydrophobicContact CG2-CD1 3.89Å; T120-F287 HydrophobicContact CG2-CE1 4.41Å; T120-F287 HydrophobicContact CG2-CE2 3.99Å; T120-F287 HydrophobicContact CG2-CZ 3.72Å |
| 121 | A | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C117 V118 E119 R123 K124 R192 V195 | C117-A121 VanDerWaalsContact O-CB 3.27Å; C117-A121 WeakPolarHBondContact O-CB 3.27Å; C117-A121 PolarHBondContact O-N 3.35Å; V118-A121 WeakPolarHBondContact O-CB 3.39Å; V118-A121 PolarHBondContact O-N 3.43Å; E119-A121 VanDerWaalsContact C-N 3.3Å; E119-A121 PolarHBondContact O-N 2.92Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 2.77Å; A121-K124 WeakPolarHBondContact O-CA 3.08Å; A121-K124 PolarHBondContact O-N 3.17Å; A121-R192 HydrophobicContact CB-CB 4.42Å; A121-R192 HydrophobicContact CB-CG 3.92Å; A121-V195 HydrophobicContact CB-CB 3.83Å; A121-V195 HydrophobicContact CB-CG1 3.8Å; A121-V195 HydrophobicContact CB-CG2 3.97Å |
| 122 | Q | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 178 | -72.3 | 171.1 | -10 | 0 | 0 | 112 | V118 E119 K124 V195 | V118-Q122 HydrophobicContact CG1-CG 4.41Å; V118-Q122 VanDerWaalsContact O-CG 3.31Å; V118-Q122 WeakPolarHBondContact O-CG 3.22Å; V118-Q122 PolarHBondContact O-N 3.22Å; E119-Q122 PolarHBondContact O-N 3.04Å; Q122-K124 PolarHBondContact O-N 3.45Å; Q122-V195 HydrophobicContact CG-CG1 3.92Å; Q122-V195 HydrophobicContact CG-CG2 4.48Å |
| 123 | R | 98.4 | Very high | 98.6 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -5 | 171.1 | -71 | 165.9 | 54.2 | 164.7 | -1.8 | 113.8 | E119 A121 E125 E286 | E119-R123 WeakPolarHBondContact O-CG 3.36Å; E119-R123 PolarHBondContact O-N 3.26Å; E119-R123 IonicContact OE1-NH1 2.94Å; E119-R123 PolarHBondContact OE1-NH1 3.19Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 2.77Å; R123-E125 HydrophobicContact CB-CG 4Å; R123-E125 IonicContact CZ-OE1 3.1Å; R123-E125 IonicContact NE-OE1 3.36Å; R123-E125 IonicContact NH2-OE1 3.61Å; R123-E125 PolarHBondContact NH2-OE1 3.38Å; R123-E125 VanDerWaalsContact NH2-OE1 3.1Å; R123-E125 PolarHBondContact O-N 3.2Å; R123-E286 IonicContact CZ-OE1 2.96Å; R123-E286 VanDerWaalsContact CZ-OE1 3.28Å; R123-E286 IonicContact NH1-OE1 3.75Å; R123-E286 PolarHBondContact NH1-OE1 2.99Å; R123-E286 IonicContact NH2-OE1 2.7Å; R123-E286 PolarHBondContact NH2-OE1 3.46Å |
| 124 | K | 98.4 | Very high | 98.6 | Very high | 186 Ų | 186 | 60.7 Ų | 60.7 | 81% | 0.809 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 30.7 | -176.4 | -53.7 | -178.7 | 179.8 | -178.7 | 0 | 113.2 | T120 A121 Q122 | T120-K124 PolarHBondContact O-N 2.87Å; A121-K124 WeakPolarHBondContact O-CA 3.08Å; A121-K124 PolarHBondContact O-N 3.17Å; Q122-K124 PolarHBondContact O-N 3.45Å |
| 125 | E | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | trans | -64.3 | 127.8 | 173.2 | -66 | -72.7 | 174.6 | 0 | 0 | 109.1 | T120 R123 L131 V132 R192 | T120-E125 HydrophobicContact CG2-CG 4.48Å; T120-E125 WeakPolarHBondContact O-CB 3.2Å; T120-E125 PolarHBondContact O-N 2.72Å; R123-E125 HydrophobicContact CB-CG 4Å; R123-E125 IonicContact CZ-OE1 3.1Å; R123-E125 IonicContact NE-OE1 3.36Å; R123-E125 IonicContact NH2-OE1 3.61Å; R123-E125 PolarHBondContact NH2-OE1 3.38Å; R123-E125 VanDerWaalsContact NH2-OE1 3.1Å; R123-E125 PolarHBondContact O-N 3.2Å; E125-L131 HydrophobicContact CG-CD2 4.02Å; E125-V132 HydrophobicContact CB-CG2 3.76Å; E125-R192 PolarHBondContact O-NH1 3.03Å; E125-R192 PolarHBondContact O-NH2 3.23Å | ||
| 126 | P | 98.3 | Very high | 98.6 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | trans | -68.8 | 145.6 | -178.6 | 26.7 | -31 | 0 | 0 | 0 | 110.8 | D128 G129 V132 | P126-D128 VanDerWaalsContact C-N 3.29Å; P126-D128 PolarHBondContact O-N 3.05Å; P126-G129 WeakPolarHBondContact O-CA 3.42Å; P126-G129 PolarHBondContact O-N 3.28Å; P126-V132 WeakPolarHBondContact O-CG2 3.38Å | ||
| 127 | V | 97.9 | Very high | 98.5 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -34.1 | -174.7 | 65.6 | 0 | 0 | 0 | 0 | 112.4 | G129 V132 Q133 | V127-G129 VanDerWaalsContact C-N 3.28Å; V127-V132 HydrophobicContact CG2-CG1 4.21Å; V127-Q133 PolarHBondContact O-NE2 2.85Å |
| 128 | D | 98.2 | Very high | 98.5 | Very high | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.7 | 173.2 | 60.9 | -22.8 | 0 | 0 | 0 | 112.8 | P126 | P126-D128 VanDerWaalsContact C-N 3.29Å; P126-D128 PolarHBondContact O-N 3.05Å |
| 129 | G | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -68.8 | 154.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P126 V127 L131 V132 Q133 | P126-G129 WeakPolarHBondContact O-CA 3.42Å; P126-G129 PolarHBondContact O-N 3.28Å; V127-G129 VanDerWaalsContact C-N 3.28Å; G129-L131 VanDerWaalsContact C-N 3.3Å; G129-L131 PolarHBondContact O-N 3.12Å; G129-V132 PolarHBondContact O-N 3.29Å; G129-Q133 WeakPolarHBondContact O-CB 3.49Å; G129-Q133 WeakPolarHBondContact O-CG 3.27Å; G129-Q133 PolarHBondContact O-N 2.85Å |
| 130 | R | 98.6 | Very high | 98.2 | Very high | 169 Ų | 169 | 61.8 Ų | 61.8 | 64% | 0.638 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54.3 | -43.7 | -176.3 | -172.2 | 177.1 | -175.6 | 175.2 | 4 | 113.1 | F134 W445 | R130-F134 VanDerWaalsContact O-CB 3.23Å; R130-F134 WeakPolarHBondContact O-CB 3.34Å; R130-F134 PolarHBondContact O-N 3.32Å; R130-W445 HydrophobicContact CB-CH2 4.41Å; R130-W445 HydrophobicContact CB-CZ3 4.27Å; R130-W445 HydrophobicContact CG-CD2 4.18Å; R130-W445 HydrophobicContact CG-CE3 3.9Å; R130-W445 HydrophobicContact CG-CH2 4.07Å; R130-W445 HydrophobicContact CG-CZ2 4.34Å; R130-W445 HydrophobicContact CG-CZ3 3.85Å; R130-W445 VanDerWaalsContact CZ-CE2 3.42Å; R130-W445 VanDerWaalsContact NE-CE2 3.28Å; R130-W445 VanDerWaalsContact NH2-CD1 3.27Å |
| 131 | L | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -53.4 | -178.4 | 176.6 | 56.8 | 0 | 0 | 0 | 111.7 | T120 E125 G129 Q133 F134 L135 F287 A444 W445 | T120-L131 HydrophobicContact CG2-CD2 3.98Å; T120-L131 HydrophobicContact CG2-CG 4.33Å; E125-L131 HydrophobicContact CG-CD2 4.02Å; G129-L131 VanDerWaalsContact C-N 3.3Å; G129-L131 PolarHBondContact O-N 3.12Å; L131-Q133 PolarHBondContact O-N 2.94Å; L131-F134 WeakPolarHBondContact O-CB 3.22Å; L131-F134 PolarHBondContact O-N 3.32Å; L131-L135 HydrophobicContact CD1-CD1 4.21Å; L131-L135 HydrophobicContact CD1-CG 4.24Å; L131-L135 HydrophobicContact CG-CD1 4.38Å; L131-L135 WeakPolarHBondContact O-CG 3.28Å; L131-L135 PolarHBondContact O-N 2.91Å; L131-F287 HydrophobicContact CD1-CD2 3.9Å; L131-F287 HydrophobicContact CD1-CE2 4.15Å; L131-F287 HydrophobicContact CD2-CE2 3.94Å; L131-A444 HydrophobicContact CD1-CB 3.68Å; L131-W445 HydrophobicContact CB-CZ3 4.08Å; L131-W445 HydrophobicContact CD1-CZ3 4.39Å |
| 132 | V | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | E125 P126 V127 G129 F134 L135 L136 | E125-V132 HydrophobicContact CB-CG2 3.76Å; P126-V132 WeakPolarHBondContact O-CG2 3.38Å; V127-V132 HydrophobicContact CG2-CG1 4.21Å; G129-V132 PolarHBondContact O-N 3.29Å; V132-F134 VanDerWaalsContact C-N 3.34Å; V132-F134 PolarHBondContact O-N 3.44Å; V132-L135 PolarHBondContact O-N 3.15Å; V132-L136 HydrophobicContact CG1-CD1 3.73Å; V132-L136 HydrophobicContact CG1-CG 4.33Å; V132-L136 WeakPolarHBondContact O-CB 3.26Å; V132-L136 VanDerWaalsContact O-CG 3.27Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 3.07Å |
| 133 | Q | 98.8 | Very high | 98 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.1 | -71.6 | -61.6 | -52.3 | 0 | 0 | 112.7 | V127 G129 L131 L136 S137 | V127-Q133 PolarHBondContact O-NE2 2.85Å; G129-Q133 WeakPolarHBondContact O-CB 3.49Å; G129-Q133 WeakPolarHBondContact O-CG 3.27Å; G129-Q133 PolarHBondContact O-N 2.85Å; L131-Q133 PolarHBondContact O-N 2.94Å; Q133-L136 PolarHBondContact O-N 2.83Å; Q133-S137 PolarHBondContact O-N 3.35Å; Q133-S137 VanDerWaalsContact O-N 3.09Å |
| 134 | F | 98.6 | Very high | 97.9 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 173 | 172.7 | -99.9 | 0 | 0 | 0 | 111.3 | R130 L131 V132 L136 S137 A444 W445 | R130-F134 VanDerWaalsContact O-CB 3.23Å; R130-F134 WeakPolarHBondContact O-CB 3.34Å; R130-F134 PolarHBondContact O-N 3.32Å; L131-F134 WeakPolarHBondContact O-CB 3.22Å; L131-F134 PolarHBondContact O-N 3.32Å; V132-F134 VanDerWaalsContact C-N 3.34Å; V132-F134 PolarHBondContact O-N 3.44Å; F134-L136 VanDerWaalsContact C-N 3.27Å; F134-L136 PolarHBondContact O-N 3.36Å; F134-S137 VanDerWaalsContact O-CB 3.3Å; F134-S137 WeakPolarHBondContact O-CB 3.41Å; F134-S137 PolarHBondContact O-N 2.69Å; F134-S137 VanDerWaalsContact O-N 3.09Å; F134-S137 PolarHBondContact O-OG 2.8Å; F134-A444 HydrophobicContact CD1-CB 3.73Å; F134-A444 VanDerWaalsContact CE1-C 3.41Å; F134-A444 HydrophobicContact CE1-CB 3.74Å; F134-A444 WeakPolarHBondContact CE1-O 3.33Å; F134-A444 WeakPolarHBondContact CZ-O 3.33Å; F134-W445 HydrophobicContact CB-CE3 4.46Å; F134-W445 HydrophobicContact CD1-CB 4.5Å; F134-W445 HydrophobicContact CD2-CB 3.63Å; F134-W445 HydrophobicContact CE2-CB 3.78Å; F134-W445 HydrophobicContact CG-CB 4.02Å; F134-W445 HydrophobicContact CZ-CB 4.29Å |
| 135 | L | 98.6 | Very high | 98 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -37.1 | 178.1 | -65.3 | 177.6 | 0 | 0 | 0 | 111.9 | F113 A116 T120 L131 V132 S137 F287 | F113-L135 HydrophobicContact CE2-CB 3.92Å; F113-L135 VanDerWaalsContact CE2-O 3.3Å; F113-L135 WeakPolarHBondContact CE2-O 3.44Å; A116-L135 HydrophobicContact CB-CD1 4.48Å; T120-L135 HydrophobicContact CG2-CD1 3.89Å; L131-L135 HydrophobicContact CD1-CD1 4.21Å; L131-L135 HydrophobicContact CD1-CG 4.24Å; L131-L135 HydrophobicContact CG-CD1 4.38Å; L131-L135 WeakPolarHBondContact O-CG 3.28Å; L131-L135 PolarHBondContact O-N 2.91Å; V132-L135 PolarHBondContact O-N 3.15Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 2.69Å; L135-F287 HydrophobicContact CD1-CD2 4.41Å; L135-F287 HydrophobicContact CD1-CG 4.42Å; L135-F287 HydrophobicContact CD2-CB 3.75Å; L135-F287 HydrophobicContact CD2-CG 4.19Å |
| 136 | L | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 43 Ų | 43 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.8 | -11.5 | 178.4 | -68.9 | 168.9 | 0 | 0 | 0 | 114.4 | F113 V132 Q133 F134 R185 C188 | F113-L136 HydrophobicContact CZ-CD2 3.91Å; V132-L136 HydrophobicContact CG1-CD1 3.73Å; V132-L136 HydrophobicContact CG1-CG 4.33Å; V132-L136 WeakPolarHBondContact O-CB 3.26Å; V132-L136 VanDerWaalsContact O-CG 3.27Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 3.07Å; Q133-L136 PolarHBondContact O-N 2.83Å; F134-L136 VanDerWaalsContact C-N 3.27Å; F134-L136 PolarHBondContact O-N 3.36Å; L136-R185 HydrophobicContact CD2-CB 4.36Å; L136-R185 HydrophobicContact CD2-CG 3.83Å; L136-R185 PolarHBondContact O-NE 3.15Å; L136-R185 PolarHBondContact O-NH2 2.88Å; L136-C188 HydrophobicContact CD2-CB 3.77Å |
| 137 | S | 98 | Very high | 98 | Very high | 71 Ų | 71 | 40.1 Ų | 40.1 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.8 | -46 | -174.4 | 70 | 0 | 0 | 0 | 0 | 112.3 | Q133 F134 L135 R185 | Q133-S137 PolarHBondContact O-N 3.35Å; Q133-S137 VanDerWaalsContact O-N 3.09Å; F134-S137 VanDerWaalsContact O-CB 3.3Å; F134-S137 WeakPolarHBondContact O-CB 3.41Å; F134-S137 PolarHBondContact O-N 2.69Å; F134-S137 VanDerWaalsContact O-N 3.09Å; F134-S137 PolarHBondContact O-OG 2.8Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 2.69Å; S137-R185 PolarHBondContact O-NH2 2.67Å |
| 138 | N | 97.4 | Very high | 98 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 35% | 0.353 | 19% | 0.187 | S | C | . | . | trans | -156.2 | 69.4 | 175.8 | -171.9 | 22.1 | 0 | 0 | 0 | 111.9 | T140 N141 N181 | N138-T140 PolarHBondContact O-N 3.29Å; N138-N141 WeakPolarHBondContact ND2-CB 3.41Å; N138-N141 PolarHBondContact O-N 3.19Å; N138-N141 VanDerWaalsContact O-N 3.14Å; N138-N181 PolarHBondContact OD1-ND2 3.4Å | ||
| 139 | P | 96.4 | Very high | 98 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.8 | -175.3 | 25.2 | -35.2 | 0 | 0 | 0 | 114 | F113 N181 L184 | F113-P139 HydrophobicContact CD1-CB 4.08Å; F113-P139 HydrophobicContact CD2-CB 3.52Å; F113-P139 HydrophobicContact CE1-CB 4.11Å; F113-P139 HydrophobicContact CE2-CB 3.55Å; F113-P139 HydrophobicContact CE2-CG 4.36Å; F113-P139 HydrophobicContact CG-CB 3.79Å; F113-P139 HydrophobicContact CZ-CB 3.85Å; F113-P139 HydrophobicContact CZ-CG 4.27Å; P139-N181 WeakPolarHBondContact CD-OD1 3.4Å; P139-N181 WeakPolarHBondContact CG-OD1 3.18Å; P139-L184 HydrophobicContact CB-CB 4.45Å; P139-L184 HydrophobicContact CB-CD1 3.71Å; P139-L184 HydrophobicContact CG-CB 4Å; P139-L184 HydrophobicContact CG-CD1 3.9Å |
| 140 | T | 95.2 | Very high | 98 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 39.3 | 173.1 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | K106 N138 D142 N177 L180 N181 L184 | K106-T140 HydrophobicContact CD-CG2 4.34Å; K106-T140 PolarHBondContact NZ-O 3.1Å; N138-T140 PolarHBondContact O-N 3.29Å; T140-D142 PolarHBondContact O-N 3.11Å; T140-N177 PolarHBondContact O-OD1 2.79Å; T140-N177 PolarHBondContact OG1-O 3.31Å; T140-L180 HydrophobicContact CG2-CB 3.48Å; T140-L180 VanDerWaalsContact CG2-CB 3.48Å; T140-L180 HydrophobicContact CG2-CD1 4.3Å; T140-N181 PolarHBondContact N-OD1 3.12Å; T140-N181 PolarHBondContact OG1-ND2 3.4Å; T140-N181 PolarHBondContact OG1-OD1 2.91Å; T140-L184 HydrophobicContact CG2-CD1 3.41Å; T140-L184 VanDerWaalsContact CG2-CD1 3.41Å; T140-L184 HydrophobicContact CG2-CG 4.36Å |
| 141 | N | 95.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 22.3 Ų | 22.3 | 28% | 0.278 | 12% | 0.12 | S | C | . | . | trans | -51.8 | 141.6 | 170.8 | -163.5 | -2.1 | 0 | 0 | 0 | 110.2 | K106 R109 N138 G143 A452 | K106-N141 PolarHBondContact NZ-O 3.42Å; R109-N141 PolarHBondContact NE-O 3.46Å; N138-N141 WeakPolarHBondContact ND2-CB 3.41Å; N138-N141 PolarHBondContact O-N 3.19Å; N138-N141 VanDerWaalsContact O-N 3.14Å; N141-G143 VanDerWaalsContact C-N 3.3Å; N141-G143 PolarHBondContact OD1-N 3.4Å; N141-G143 VanDerWaalsContact OD1-N 3.1Å; N141-A452 PolarHBondContact ND2-O 3.29Å; N141-A452 PolarHBondContact OD1-O 3.14Å | ||
| 142 | D | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -76.3 | -25.5 | 171.7 | -72.3 | -6.9 | 0 | 0 | 0 | 111.6 | G70 W73 F102 K106 T140 S173 N177 | G70-D142 PolarHBondContact N-OD2 3.11Å; G70-D142 CarbonylContact O-C 3.41Å; W73-D142 PolarHBondContact NE1-O 2.74Å; F102-D142 HydrophobicContact CE2-CB 4.1Å; F102-D142 VanDerWaalsContact CE2-OD1 3.25Å; F102-D142 WeakPolarHBondContact CE2-OD1 3.2Å; F102-D142 VanDerWaalsContact CZ-OD1 3.29Å; F102-D142 WeakPolarHBondContact CZ-OD1 3.27Å; K106-D142 IonicContact NZ-OD1 2.62Å; K106-D142 PolarHBondContact NZ-OD1 3.35Å; T140-D142 PolarHBondContact O-N 3.11Å; D142-S173 WeakPolarHBondContact OD2-CB 3.4Å; D142-S173 PolarHBondContact OD2-OG 2.83Å; D142-N177 PolarHBondContact OD1-ND2 2.98Å; D142-N177 PolarHBondContact OD1-OD1 2.77Å |
| 143 | G | 97.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | trans | -62.7 | 151.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R109 N141 L451 | R109-G143 PolarHBondContact NH2-O 2.98Å; R109-G143 VanDerWaalsContact NH2-O 3.12Å; N141-G143 VanDerWaalsContact C-N 3.3Å; N141-G143 PolarHBondContact OD1-N 3.4Å; N141-G143 VanDerWaalsContact OD1-N 3.1Å; G143-L451 CarbonylContact C-O 3.54Å; G143-L451 WeakPolarHBondContact CA-O 3.46Å | ||
| 144 | G | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | trans | -166.8 | 175 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | W73 M148 L451 | W73-G144 VanDerWaalsContact CE3-C 3.49Å; G144-M148 VanDerWaalsContact CA-SD 3.6Å; G144-L451 PolarHBondContact N-O 3.4Å; G144-L451 WeakPolarHBondContact O-CB 3.42Å; G144-L451 WeakPolarHBondContact O-CD1 3.43Å | ||
| 145 | Q | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | trans | -118.6 | 172.2 | -171.2 | -62.9 | -66.1 | -7.4 | 0 | 0 | 112.2 | D147 M148 L149 L288 T297 Y299 M369 E419 G449 S450 | Q145-D147 PolarHBondContact O-N 3.11Å; Q145-M148 HydrophobicContact CB-CE 4.38Å; Q145-M148 HydrophobicContact CB-CG 4.41Å; Q145-M148 HydrophobicContact CB-SD 4.38Å; Q145-M148 HydrophobicContact CG-CE 4.24Å; Q145-M148 PolarHBondContact N-SD 2.96Å; Q145-M148 WeakPolarHBondContact O-CB 3.41Å; Q145-M148 PolarHBondContact O-N 2.96Å; Q145-M148 VanDerWaalsContact O-N 3.17Å; Q145-L149 PolarHBondContact O-N 3.07Å; Q145-L288 HydrophobicContact CG-CD1 4.41Å; Q145-L288 HydrophobicContact CG-CD2 4.02Å; Q145-L288 HydrophobicContact CG-CG 4.34Å; Q145-T297 HydrophobicContact CB-CG2 3.8Å; Q145-T297 HydrophobicContact CG-CG2 4.02Å; Q145-Y299 WeakPolarHBondContact CG-OH 3.45Å; Q145-Y299 PolarHBondContact NE2-OH 3.42Å; Q145-Y299 PolarHBondContact OE1-OH 2.88Å; Q145-M369 VanDerWaalsContact NE2-CE 3.31Å; Q145-M369 VanDerWaalsContact OE1-CE 3.29Å; Q145-E419 PolarHBondContact OE1-OE2 2.8Å; Q145-G449 PolarHBondContact NE2-O 3.05Å; Q145-S450 PolarHBondContact NE2-O 3.25Å | ||
| 146 | W | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.8 | -51 | -178.6 | -177.5 | -104.2 | 0 | 0 | 0 | 114 | C77 M148 L149 V150 Y261 I263 K266 C268 W322 V421 | C77-W146 HydrophobicContact CB-CZ3 4.39Å; W146-M148 PolarHBondContact O-N 3.49Å; W146-L149 HydrophobicContact CE3-CD1 3.92Å; W146-L149 HydrophobicContact CZ3-CD1 4.32Å; W146-L149 WeakPolarHBondContact O-CA 3.32Å; W146-L149 VanDerWaalsContact O-CB 3.29Å; W146-L149 WeakPolarHBondContact O-CB 3.17Å; W146-L149 PolarHBondContact O-N 3.01Å; W146-V150 PolarHBondContact O-N 3.28Å; W146-V150 VanDerWaalsContact O-N 3.1Å; W146-Y261 HydrophobicContact CH2-CE1 4.32Å; W146-I263 HydrophobicContact CH2-CD1 4.12Å; W146-I263 HydrophobicContact CH2-CG1 3.77Å; W146-I263 HydrophobicContact CZ2-CD1 3.95Å; W146-I263 HydrophobicContact CZ2-CG1 3.28Å; W146-K266 HydrophobicContact CH2-CB 4.49Å; W146-K266 HydrophobicContact CH2-CG 4.41Å; W146-K266 HydrophobicContact CZ2-CB 3.54Å; W146-K266 HydrophobicContact CZ2-CG 3.75Å; W146-C268 HydrophobicContact CB-CB 4.47Å; W146-W322 HydrophobicContact CE3-CD2 4.25Å; W146-W322 HydrophobicContact CE3-CG 4.24Å; W146-W322 HydrophobicContact CZ3-CB 4.17Å; W146-W322 HydrophobicContact CZ3-CG 4.15Å; W146-V421 HydrophobicContact CB-CG2 3.92Å; W146-V421 HydrophobicContact CD2-CB 4.17Å; W146-V421 HydrophobicContact CD2-CG1 3.59Å; W146-V421 HydrophobicContact CD2-CG2 3.7Å; W146-V421 VanDerWaalsContact CE2-CG1 3.42Å; W146-V421 HydrophobicContact CE3-CB 4.19Å; W146-V421 HydrophobicContact CE3-CG1 3.88Å; W146-V421 HydrophobicContact CE3-CG2 3.88Å; W146-V421 HydrophobicContact CG-CG1 4.16Å; W146-V421 HydrophobicContact CG-CG2 3.68Å; W146-V421 HydrophobicContact CH2-CG1 3.84Å; W146-V421 HydrophobicContact CZ2-CG1 3.56Å; W146-V421 HydrophobicContact CZ3-CB 4.48Å; W146-V421 HydrophobicContact CZ3-CG1 3.99Å |
| 147 | D | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.3 | -25.1 | -179.8 | -75.1 | -68.9 | 0 | 0 | 0 | 112.9 | Q145 L149 V150 N151 R295 L298 | Q145-D147 PolarHBondContact O-N 3.11Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-V150 WeakPolarHBondContact O-CB 3.3Å; D147-V150 PolarHBondContact O-N 3.48Å; D147-N151 VanDerWaalsContact O-CG 3.3Å; D147-N151 PolarHBondContact O-N 2.8Å; D147-N151 PolarHBondContact O-ND2 2.81Å; D147-R295 HydrophobicContact CB-CB 4.47Å; D147-R295 IonicContact OD1-CZ 2.96Å; D147-R295 IonicContact OD1-NE 2.84Å; D147-R295 PolarHBondContact OD1-NE 3.36Å; D147-R295 VanDerWaalsContact OD1-NE 3.14Å; D147-R295 IonicContact OD1-NH2 3.14Å; D147-R295 PolarHBondContact OD1-NH2 3.35Å; D147-L298 PolarHBondContact OD2-N 2.97Å |
| 148 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.3 | -36.3 | 172 | -64.9 | 180 | -168.8 | 0 | 0 | 111.4 | W73 R109 G144 Q145 W146 L152 L288 N290 | W73-M148 HydrophobicContact CH2-CB 4.16Å; W73-M148 HydrophobicContact CZ3-CB 3.7Å; R109-M148 PolarHBondContact NH2-SD 3.37Å; R109-M148 VanDerWaalsContact NH2-SD 3.39Å; G144-M148 VanDerWaalsContact CA-SD 3.6Å; Q145-M148 HydrophobicContact CB-CE 4.38Å; Q145-M148 HydrophobicContact CB-CG 4.41Å; Q145-M148 HydrophobicContact CB-SD 4.38Å; Q145-M148 HydrophobicContact CG-CE 4.24Å; Q145-M148 PolarHBondContact N-SD 2.96Å; Q145-M148 WeakPolarHBondContact O-CB 3.41Å; Q145-M148 PolarHBondContact O-N 2.96Å; Q145-M148 VanDerWaalsContact O-N 3.17Å; W146-M148 PolarHBondContact O-N 3.49Å; M148-L152 VanDerWaalsContact O-CG 3.26Å; M148-L152 WeakPolarHBondContact O-CG 3.06Å; M148-L152 PolarHBondContact O-N 2.77Å; M148-L288 HydrophobicContact CE-CD1 3.62Å; M148-L288 HydrophobicContact CE-CG 3.71Å; M148-N290 WeakPolarHBondContact CA-OD1 3.38Å; M148-N290 HydrophobicContact CB-CB 4.24Å; M148-N290 WeakPolarHBondContact CB-ND2 3.06Å; M148-N290 HydrophobicContact CG-CB 3.98Å; M148-N290 PolarHBondContact O-ND2 2.88Å; M148-N290 VanDerWaalsContact O-ND2 3.16Å; M148-N290 HydrophobicContact SD-CB 4.06Å |
| 149 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 171.8 | -66.3 | 157.5 | 0 | 0 | 0 | 111 | W73 I74 C77 Q145 W146 D147 N151 L152 I153 I263 | W73-L149 HydrophobicContact CD2-CD2 4.36Å; W73-L149 HydrophobicContact CE3-CD1 3.86Å; W73-L149 HydrophobicContact CE3-CD2 3.54Å; W73-L149 HydrophobicContact CE3-CG 3.4Å; W73-L149 HydrophobicContact CH2-CD2 4.45Å; W73-L149 HydrophobicContact CZ3-CB 4.49Å; W73-L149 HydrophobicContact CZ3-CD1 4.46Å; W73-L149 HydrophobicContact CZ3-CD2 3.58Å; W73-L149 HydrophobicContact CZ3-CG 3.52Å; I74-L149 HydrophobicContact CG1-CD2 3.98Å; C77-L149 HydrophobicContact CB-CD1 3.5Å; C77-L149 HydrophobicContact CB-CD2 4.01Å; C77-L149 HydrophobicContact CB-CG 4.29Å; Q145-L149 PolarHBondContact O-N 3.07Å; W146-L149 HydrophobicContact CE3-CD1 3.92Å; W146-L149 HydrophobicContact CZ3-CD1 4.32Å; W146-L149 WeakPolarHBondContact O-CA 3.32Å; W146-L149 VanDerWaalsContact O-CB 3.29Å; W146-L149 WeakPolarHBondContact O-CB 3.17Å; W146-L149 PolarHBondContact O-N 3.01Å; D147-L149 VanDerWaalsContact C-N 3.33Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 3.34Å; L149-L152 PolarHBondContact O-N 3.31Å; L149-I153 HydrophobicContact CB-CD1 4.46Å; L149-I153 WeakPolarHBondContact O-CB 3.39Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 2.98Å; L149-I263 HydrophobicContact CB-CD1 4.18Å |
| 150 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | W146 D147 L152 I153 E154 I263 Q264 R295 | W146-V150 PolarHBondContact O-N 3.28Å; W146-V150 VanDerWaalsContact O-N 3.1Å; D147-V150 WeakPolarHBondContact O-CB 3.3Å; D147-V150 PolarHBondContact O-N 3.48Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.2Å; V150-I153 PolarHBondContact O-N 2.8Å; V150-E154 HydrophobicContact CG1-CG 4.08Å; V150-E154 VanDerWaalsContact O-CB 3.29Å; V150-E154 WeakPolarHBondContact O-CB 3.41Å; V150-E154 WeakPolarHBondContact O-CG 3.43Å; V150-E154 PolarHBondContact O-N 2.99Å; V150-I263 HydrophobicContact CG1-CG2 4.23Å; V150-I263 HydrophobicContact CG2-CD1 4.11Å; V150-I263 HydrophobicContact CG2-CG1 4Å; V150-I263 HydrophobicContact CG2-CG2 4.39Å; V150-Q264 HydrophobicContact CG1-CG 4.38Å; V150-R295 VanDerWaalsContact CG1-CD 3.48Å |
| 151 | N | 98.9 | Very high | 98.5 | Very high | 12 Ų | 12 | 14.2 Ų | 14.2 | 6% | 0.064 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55 | -48.3 | 176.6 | -72 | -25.8 | 0 | 0 | 0 | 111.7 | D147 L149 K155 N290 M291 R295 | D147-N151 VanDerWaalsContact O-CG 3.3Å; D147-N151 PolarHBondContact O-N 2.8Å; D147-N151 PolarHBondContact O-ND2 2.81Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 3.34Å; N151-K155 VanDerWaalsContact O-CB 3.24Å; N151-K155 WeakPolarHBondContact O-CB 3.35Å; N151-K155 PolarHBondContact O-N 3Å; N151-N290 PolarHBondContact ND2-OD1 3.39Å; N151-M291 HydrophobicContact CB-CB 4.24Å; N151-M291 HydrophobicContact CB-CE 3.9Å; N151-M291 HydrophobicContact CB-SD 4.02Å; N151-M291 WeakPolarHBondContact O-CE 3.36Å; N151-R295 PolarHBondContact ND2-O 3.36Å; N151-R295 VanDerWaalsContact ND2-O 3.13Å; N151-R295 VanDerWaalsContact OD1-CB 3.29Å; N151-R295 WeakPolarHBondContact OD1-CB 3.42Å; N151-R295 PolarHBondContact OD1-N 3.07Å |
| 152 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.5 | -47.9 | -177.5 | -65.7 | 167.4 | 0 | 0 | 0 | 112.3 | W73 L101 W104 D105 M148 L149 V150 K155 Y156 N290 M291 | W73-L152 HydrophobicContact CH2-CD1 3.95Å; W73-L152 HydrophobicContact CZ3-CD1 4.44Å; L101-L152 HydrophobicContact CD2-CB 4.31Å; W104-L152 HydrophobicContact CB-CD2 3.93Å; D105-L152 HydrophobicContact CB-CD1 3.66Å; D105-L152 HydrophobicContact CB-CD2 4.31Å; M148-L152 VanDerWaalsContact O-CG 3.26Å; M148-L152 WeakPolarHBondContact O-CG 3.06Å; M148-L152 PolarHBondContact O-N 2.77Å; L149-L152 PolarHBondContact O-N 3.31Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.2Å; L152-K155 PolarHBondContact O-N 3.38Å; L152-Y156 HydrophobicContact CD2-CD2 4.3Å; L152-Y156 HydrophobicContact CD2-CE2 4.47Å; L152-Y156 WeakPolarHBondContact O-CA 3.47Å; L152-Y156 WeakPolarHBondContact O-CB 3.31Å; L152-Y156 PolarHBondContact O-N 3.33Å; L152-N290 WeakPolarHBondContact CG-ND2 3.48Å; L152-M291 HydrophobicContact CD2-CE 4.4Å |
| 153 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -71 | -38.2 | -174.4 | -70.4 | 168.1 | 0 | 0 | 0 | 111 | L81 L101 L149 V150 G157 V158 Y253 I263 | L81-I153 HydrophobicContact CD2-CD1 4.15Å; L101-I153 HydrophobicContact CD1-CD1 4.02Å; L101-I153 HydrophobicContact CD1-CG1 3.91Å; L101-I153 HydrophobicContact CD2-CG1 4.07Å; L149-I153 HydrophobicContact CB-CD1 4.46Å; L149-I153 WeakPolarHBondContact O-CB 3.39Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 2.98Å; V150-I153 PolarHBondContact O-N 2.8Å; I153-G157 WeakPolarHBondContact O-CA 3.11Å; I153-G157 PolarHBondContact O-N 3.41Å; I153-V158 HydrophobicContact CD1-CG1 4.29Å; I153-V158 HydrophobicContact CG1-CG1 3.91Å; I153-V158 HydrophobicContact CG2-CG1 4.31Å; I153-Y253 HydrophobicContact CG2-CD1 4.23Å; I153-Y253 HydrophobicContact CG2-CD2 3.74Å; I153-Y253 HydrophobicContact CG2-CE1 3.94Å; I153-Y253 HydrophobicContact CG2-CE2 3.45Å; I153-Y253 VanDerWaalsContact CG2-CE2 3.45Å; I153-Y253 HydrophobicContact CG2-CG 4.15Å; I153-I263 HydrophobicContact CB-CD1 4.34Å; I153-I263 HydrophobicContact CD1-CD1 3.51Å; I153-I263 HydrophobicContact CG1-CD1 4.46Å; I153-I263 HydrophobicContact CG2-CG2 4.34Å |
| 154 | E | 98.6 | Very high | 98.7 | Very high | 39 Ų | 39 | 22 Ų | 22 | 18% | 0.182 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.3 | -34.9 | 176.3 | -71 | -64.4 | 152.1 | 0 | 0 | 112.4 | V150 Y253 K258 I263 Q264 | V150-E154 HydrophobicContact CG1-CG 4.08Å; V150-E154 VanDerWaalsContact O-CB 3.29Å; V150-E154 WeakPolarHBondContact O-CB 3.41Å; V150-E154 WeakPolarHBondContact O-CG 3.43Å; V150-E154 PolarHBondContact O-N 2.99Å; E154-Y253 PolarHBondContact OE1-OH 3.31Å; E154-K258 IonicContact OE1-NZ 2.68Å; E154-K258 PolarHBondContact OE1-NZ 2.76Å; E154-K258 IonicContact OE2-NZ 2.75Å; E154-K258 PolarHBondContact OE2-NZ 2.93Å; E154-I263 HydrophobicContact CG-CG2 4.32Å; E154-Q264 VanDerWaalsContact CD-CD 3.49Å; E154-Q264 HydrophobicContact CG-CG 4.1Å; E154-Q264 VanDerWaalsContact OE1-CD 3.3Å; E154-Q264 VanDerWaalsContact OE1-CG 3.27Å; E154-Q264 WeakPolarHBondContact OE1-CG 3.36Å |
| 155 | K | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 25.7 Ų | 25.7 | 39% | 0.387 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -83.5 | -38.5 | -180 | -173.1 | 171.7 | -179.2 | -178.9 | 0 | 113.5 | E108 N151 L152 Q250 M291 | E108-K155 WeakPolarHBondContact OE1-CE 3.43Å; E108-K155 IonicContact OE1-NZ 3.47Å; E108-K155 PolarHBondContact OE1-NZ 2.68Å; N151-K155 VanDerWaalsContact O-CB 3.24Å; N151-K155 WeakPolarHBondContact O-CB 3.35Å; N151-K155 PolarHBondContact O-N 3Å; L152-K155 PolarHBondContact O-N 3.38Å; K155-Q250 PolarHBondContact O-NE2 2.76Å; K155-M291 HydrophobicContact CB-CE 4.08Å; K155-M291 HydrophobicContact CD-CE 3.57Å; K155-M291 HydrophobicContact CD-SD 3.69Å; K155-M291 HydrophobicContact CG-CE 4.43Å |
| 156 | Y | 98.8 | Very high | 98.7 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 13% | 0.125 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -117.6 | -8.2 | -170.7 | -61.8 | -72.8 | 0 | 0 | 0 | 113.7 | Y100 W104 E108 L152 P249 M291 | Y100-Y156 WeakPolarHBondContact CE1-O 3.47Å; Y100-Y156 PolarHBondContact OH-O 2.88Å; W104-Y156 HydrophobicContact CB-CD2 3.74Å; W104-Y156 HydrophobicContact CB-CE2 3.96Å; W104-Y156 HydrophobicContact CB-CG 4.09Å; W104-Y156 AromaticContact CD1-CD1 3.95Å; W104-Y156 AromaticContact CD1-CG 3.69Å; W104-Y156 AromaticContact CD2-CD1 3.43Å; W104-Y156 HydrophobicContact CD2-CD1 3.43Å; W104-Y156 VanDerWaalsContact CD2-CD1 3.43Å; W104-Y156 HydrophobicContact CD2-CD2 4.09Å; W104-Y156 AromaticContact CD2-CE1 3.42Å; W104-Y156 HydrophobicContact CD2-CE1 3.42Å; W104-Y156 VanDerWaalsContact CD2-CE1 3.42Å; W104-Y156 HydrophobicContact CD2-CE2 4.08Å; W104-Y156 AromaticContact CD2-CG 3.76Å; W104-Y156 HydrophobicContact CD2-CG 3.76Å; W104-Y156 AromaticContact CD2-CZ 3.74Å; W104-Y156 AromaticContact CE2-CD1 3.39Å; W104-Y156 AromaticContact CE2-CE1 3.67Å; W104-Y156 AromaticContact CE2-CG 3.98Å; W104-Y156 AromaticContact CE3-CD1 3.87Å; W104-Y156 HydrophobicContact CE3-CD1 3.87Å; W104-Y156 AromaticContact CE3-CE1 3.31Å; W104-Y156 HydrophobicContact CE3-CE1 3.31Å; W104-Y156 HydrophobicContact CE3-CE2 4.05Å; W104-Y156 HydrophobicContact CE3-CG 4.43Å; W104-Y156 AromaticContact CE3-CZ 3.39Å; W104-Y156 AromaticContact CG-CD1 3.8Å; W104-Y156 HydrophobicContact CG-CD1 3.8Å; W104-Y156 AromaticContact CG-CD2 3.74Å; W104-Y156 HydrophobicContact CG-CD2 3.74Å; W104-Y156 HydrophobicContact CG-CE1 4.12Å; W104-Y156 HydrophobicContact CG-CE2 4.07Å; W104-Y156 AromaticContact CG-CG 3.58Å; W104-Y156 HydrophobicContact CG-CG 3.58Å; W104-Y156 HydrophobicContact CH2-CD1 4.23Å; W104-Y156 AromaticContact CH2-CE1 3.77Å; W104-Y156 HydrophobicContact CH2-CE1 3.77Å; W104-Y156 AromaticContact CZ2-CD1 3.82Å; W104-Y156 HydrophobicContact CZ2-CD1 3.82Å; W104-Y156 AromaticContact CZ2-CE1 3.85Å; W104-Y156 HydrophobicContact CZ2-CE1 3.85Å; W104-Y156 HydrophobicContact CZ3-CD1 4.25Å; W104-Y156 AromaticContact CZ3-CE1 3.5Å; W104-Y156 HydrophobicContact CZ3-CE1 3.5Å; W104-Y156 AromaticContact CZ3-CZ 3.87Å; W104-Y156 AromaticContact NE1-CD1 3.69Å; W104-Y156 AromaticContact NE1-CG 3.89Å; E108-Y156 HydrophobicContact CG-CE2 3.95Å; E108-Y156 PolarHBondContact OE1-OH 3.44Å; L152-Y156 HydrophobicContact CD2-CD2 4.3Å; L152-Y156 HydrophobicContact CD2-CE2 4.47Å; L152-Y156 WeakPolarHBondContact O-CA 3.47Å; L152-Y156 WeakPolarHBondContact O-CB 3.31Å; L152-Y156 PolarHBondContact O-N 3.33Å; Y156-P249 WeakPolarHBondContact O-CB 3.09Å; Y156-M291 HydrophobicContact CE2-CE 4.01Å |
| 157 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | 67.1 | -157.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L101 I153 | L101-G157 WeakPolarHBondContact CD2-O 3.49Å; I153-G157 WeakPolarHBondContact O-CA 3.11Å; I153-G157 PolarHBondContact O-N 3.41Å | ||
| 158 | V | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | trans | -138.1 | 160.9 | 175.4 | -67.8 | 0 | 0 | 0 | 0 | 108.2 | L78 F96 L101 I153 F252 Y253 V257 | L78-V158 HydrophobicContact CD2-CG1 3.95Å; F96-V158 HydrophobicContact CD1-CB 4.11Å; F96-V158 HydrophobicContact CD1-CG2 3.95Å; F96-V158 HydrophobicContact CE1-CG2 3.89Å; F96-V158 HydrophobicContact CG-CB 4.49Å; F96-V158 HydrophobicContact CZ-CG2 4.43Å; L101-V158 HydrophobicContact CD1-CG1 4.38Å; L101-V158 HydrophobicContact CD2-CG1 4.43Å; I153-V158 HydrophobicContact CD1-CG1 4.29Å; I153-V158 HydrophobicContact CG1-CG1 3.91Å; I153-V158 HydrophobicContact CG2-CG1 4.31Å; V158-F252 HydrophobicContact CG2-CD1 4.22Å; V158-F252 HydrophobicContact CG2-CE1 4.15Å; V158-F252 WeakPolarHBondContact O-CD1 3.09Å; V158-Y253 HydrophobicContact CG2-CD2 4.19Å; V158-V257 HydrophobicContact CG2-CB 4.39Å; V158-V257 HydrophobicContact CG2-CG1 4.35Å; V158-V257 HydrophobicContact CG2-CG2 3.87Å | ||
| 159 | I | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -140.2 | 158 | 176.4 | 59.6 | 178.2 | 0 | 0 | 0 | 111 | F96 S97 Y100 C163 F164 P227 I230 P249 | F96-I159 CarbonylContact C-O 3.17Å; F96-I159 VanDerWaalsContact CA-O 3.3Å; F96-I159 WeakPolarHBondContact CA-O 3.35Å; S97-I159 PolarHBondContact N-O 3.37Å; Y100-I159 HydrophobicContact CD1-CD1 4.48Å; Y100-I159 HydrophobicContact CD1-CG1 4.15Å; Y100-I159 HydrophobicContact CD2-CD1 3.38Å; Y100-I159 HydrophobicContact CD2-CG1 3.94Å; Y100-I159 HydrophobicContact CE2-CD1 3.94Å; Y100-I159 HydrophobicContact CG-CD1 3.7Å; Y100-I159 HydrophobicContact CG-CG1 3.74Å; I159-C163 HydrophobicContact CD1-CB 4.46Å; I159-F164 HydrophobicContact CD1-CB 3.42Å; I159-F164 VanDerWaalsContact CD1-CB 3.42Å; I159-F164 HydrophobicContact CD1-CG 4.37Å; I159-F164 HydrophobicContact CG1-CB 4.41Å; I159-P227 HydrophobicContact CD1-CG 3.99Å; I159-I230 HydrophobicContact CB-CD1 4.17Å; I159-I230 HydrophobicContact CB-CG2 4.47Å; I159-I230 HydrophobicContact CG2-CD1 3.91Å; I159-I230 HydrophobicContact CG2-CG2 4.06Å; I159-P249 HydrophobicContact CG2-CB 3.58Å; I159-P249 HydrophobicContact CG2-CG 3.68Å | ||
| 160 | P | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -58.9 | 140.1 | 170 | -24.7 | 36.5 | 0 | 0 | 0 | 111.8 | F94 K162 C163 I230 W232 F252 | F94-P160 HydrophobicContact CE2-CB 3.87Å; F94-P160 HydrophobicContact CE2-CG 4.07Å; F94-P160 HydrophobicContact CZ-CB 4.21Å; F94-P160 HydrophobicContact CZ-CG 4.25Å; P160-K162 PolarHBondContact O-N 3.21Å; P160-K162 VanDerWaalsContact O-N 3.12Å; P160-C163 WeakPolarHBondContact O-CB 3.45Å; P160-C163 PolarHBondContact O-N 3.49Å; P160-I230 HydrophobicContact CG-CD1 4.47Å; P160-W232 HydrophobicContact CB-CD2 3.97Å; P160-W232 HydrophobicContact CB-CG 3.92Å; P160-W232 HydrophobicContact CG-CB 3.98Å; P160-W232 HydrophobicContact CG-CD2 3.53Å; P160-W232 HydrophobicContact CG-CE3 3.83Å; P160-W232 HydrophobicContact CG-CG 3.58Å; P160-F252 HydrophobicContact CG-CE2 3.9Å; P160-F252 HydrophobicContact CG-CZ 3.77Å |
| 161 | K | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 21% | 0.213 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -55.2 | -32 | 178.6 | -173.1 | 175 | -177.7 | 178 | 0 | 113.3 | E95 C163 F164 P165 | E95-K161 HydrophobicContact CB-CB 3.84Å; E95-K161 HydrophobicContact CB-CD 3.67Å; E95-K161 HydrophobicContact CB-CG 4.43Å; E95-K161 VanDerWaalsContact CD-CD 3.5Å; E95-K161 HydrophobicContact CG-CD 4.22Å; E95-K161 WeakPolarHBondContact O-CB 3.47Å; E95-K161 PolarHBondContact O-N 2.84Å; E95-K161 IonicContact OE1-NZ 2.85Å; E95-K161 PolarHBondContact OE1-NZ 2.92Å; E95-K161 WeakPolarHBondContact OE2-CD 3.49Å; E95-K161 IonicContact OE2-NZ 3.64Å; E95-K161 PolarHBondContact OE2-NZ 3.43Å; K161-C163 PolarHBondContact O-N 3.35Å; K161-F164 CarbonylContact O-C 3.53Å; K161-F164 PolarHBondContact O-N 3.13Å; K161-P165 WeakPolarHBondContact O-CA 3.3Å |
| 162 | K | 98.3 | Very high | 98.7 | Very high | 179 Ų | 179 | 40.7 Ų | 40.7 | 78% | 0.778 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -66.6 | -20.4 | 176.9 | -64.4 | -173.7 | 179.9 | 179.6 | 0 | 113.7 | P160 | P160-K162 PolarHBondContact O-N 3.21Å; P160-K162 VanDerWaalsContact O-N 3.12Å |
| 163 | C | 98.6 | Very high | 98.7 | Very high | 35 Ų | 35 | 41 Ų | 41 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -89.4 | -18.4 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 113 | I159 P160 K161 I230 | I159-C163 HydrophobicContact CD1-CB 4.46Å; P160-C163 WeakPolarHBondContact O-CB 3.45Å; P160-C163 PolarHBondContact O-N 3.49Å; K161-C163 PolarHBondContact O-N 3.35Å; C163-I230 HydrophobicContact CB-CB 4.28Å; C163-I230 HydrophobicContact CB-CG2 3.78Å |
| 164 | F | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -150.6 | 94 | 172 | -168.5 | -108.2 | 0 | 0 | 0 | 108.5 | S97 S99 I159 K161 L223 S225 P226 | S97-F164 WeakPolarHBondContact CB-O 3.44Å; S97-F164 PolarHBondContact OG-O 3.36Å; S99-F164 VanDerWaalsContact OG-CD1 3.3Å; S99-F164 WeakPolarHBondContact OG-CD1 3.42Å; S99-F164 PolarHBondContact OG-O 2.73Å; I159-F164 HydrophobicContact CD1-CB 3.42Å; I159-F164 VanDerWaalsContact CD1-CB 3.42Å; I159-F164 HydrophobicContact CD1-CG 4.37Å; I159-F164 HydrophobicContact CG1-CB 4.41Å; K161-F164 CarbonylContact O-C 3.53Å; K161-F164 PolarHBondContact O-N 3.13Å; F164-L223 VanDerWaalsContact CZ-O 3.27Å; F164-L223 WeakPolarHBondContact CZ-O 3.23Å; F164-S225 WeakPolarHBondContact CE2-O 3.47Å; F164-P226 HydrophobicContact CZ-CG 4.48Å |
| 165 | P | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 55.7 Ų | 55.7 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | trans | -75.2 | 176.7 | -171.6 | 31.8 | -36.3 | 0 | 0 | 0 | 112.3 | S99 K161 | S99-P165 PolarHBondContact OG-O 3.48Å; K161-P165 WeakPolarHBondContact O-CA 3.3Å | ||
| 166 | E | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | trans | -67.9 | 152.8 | 167.5 | -68.9 | -69.4 | 123.9 | 0 | 0 | 110.9 | R71 S99 S170 E171 | R71-E166 IonicContact CZ-OE1 2.8Å; R71-E166 IonicContact CZ-OE2 3.79Å; R71-E166 VanDerWaalsContact CZ-OE2 3.23Å; R71-E166 VanDerWaalsContact NH1-CD 3.31Å; R71-E166 IonicContact NH1-OE1 3.12Å; R71-E166 PolarHBondContact NH1-OE1 3.31Å; R71-E166 IonicContact NH1-OE2 2.97Å; R71-E166 PolarHBondContact NH1-OE2 2.88Å; R71-E166 IonicContact NH2-OE1 2.64Å; R71-E166 IonicContact NH2-OE2 3.78Å; R71-E166 PolarHBondContact NH2-OE2 3.5Å; S99-E166 WeakPolarHBondContact CB-OE1 3.15Å; S99-E166 PolarHBondContact N-OE1 3.39Å; E166-S170 WeakPolarHBondContact CA-OG 3.16Å; E166-S170 VanDerWaalsContact CD-OG 3.28Å; E166-S170 VanDerWaalsContact OE2-CB 3.27Å; E166-S170 WeakPolarHBondContact OE2-CB 3.48Å; E166-S170 PolarHBondContact OE2-OG 2.81Å; E166-E171 HydrophobicContact CB-CG 4.16Å; E166-E171 HydrophobicContact CG-CG 4.41Å | ||
| 167 | S | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | trans | -118.3 | 171.3 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 109.4 | S169 S170 E171 C222 | S167-S169 PolarHBondContact O-N 2.97Å; S167-S169 PolarHBondContact OG-N 3.46Å; S167-S170 PolarHBondContact N-OG 3.41Å; S167-S170 PolarHBondContact O-N 3.03Å; S167-S170 PolarHBondContact O-OG 3.3Å; S167-S170 PolarHBondContact OG-N 2.99Å; S167-S170 VanDerWaalsContact OG-N 3.09Å; S167-S170 PolarHBondContact OG-OG 3.35Å; S167-E171 PolarHBondContact O-N 3.02Å; S167-C222 PolarHBondContact OG-O 3.23Å | ||
| 168 | H | 98.7 | Very high | 98.7 | Very high | 153 Ų | 153 | 54.1 Ų | 54.1 | 71% | 0.708 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -55.8 | -43.4 | 172.1 | -178.2 | 77.2 | 0 | 0 | 0 | 111.9 | S170 E171 A172 | H168-S170 PolarHBondContact O-N 3.01Å; H168-E171 PolarHBondContact O-N 3.34Å; H168-A172 PolarHBondContact O-N 3.13Å |
| 169 | S | 98.6 | Very high | 98.7 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.3 | -25.7 | -176.2 | -47.8 | 0 | 0 | 0 | 0 | 112.8 | S167 A172 S173 C222 | S167-S169 PolarHBondContact O-N 2.97Å; S167-S169 PolarHBondContact OG-N 3.46Å; S169-A172 CarbonylContact O-C 3.27Å; S169-S173 WeakPolarHBondContact O-CA 3.49Å; S169-S173 PolarHBondContact O-N 2.81Å; S169-S173 VanDerWaalsContact O-N 3.17Å; S169-C222 WeakPolarHBondContact CB-O 3.46Å; S169-C222 WeakPolarHBondContact OG-CB 3.4Å; S169-C222 PolarHBondContact OG-O 3.45Å; S169-C222 VanDerWaalsContact OG-O 3.12Å |
| 170 | S | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.6 | -32.9 | 173.6 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | S69 R71 E166 S167 H168 | S69-S170 WeakPolarHBondContact CB-O 3.2Å; S69-S170 PolarHBondContact OG-O 2.84Å; R71-S170 PolarHBondContact NE-O 3.03Å; R71-S170 VanDerWaalsContact NE-O 3.12Å; R71-S170 PolarHBondContact NH2-O 3.49Å; E166-S170 WeakPolarHBondContact CA-OG 3.16Å; E166-S170 VanDerWaalsContact CD-OG 3.28Å; E166-S170 VanDerWaalsContact OE2-CB 3.27Å; E166-S170 WeakPolarHBondContact OE2-CB 3.48Å; E166-S170 PolarHBondContact OE2-OG 2.81Å; S167-S170 PolarHBondContact N-OG 3.41Å; S167-S170 PolarHBondContact O-N 3.03Å; S167-S170 PolarHBondContact O-OG 3.3Å; S167-S170 PolarHBondContact OG-N 2.99Å; S167-S170 VanDerWaalsContact OG-N 3.09Å; S167-S170 PolarHBondContact OG-OG 3.35Å; H168-S170 PolarHBondContact O-N 3.01Å |
| 171 | E | 98.7 | Very high | 98.7 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -87.5 | -12.4 | 175.6 | -65.3 | -169.3 | 160.5 | 0 | 0 | 114.4 | K67 N68 E166 S167 H168 | K67-E171 HydrophobicContact CB-CB 3.83Å; K67-E171 HydrophobicContact CB-CG 4.25Å; K67-E171 VanDerWaalsContact CB-O 3.3Å; K67-E171 WeakPolarHBondContact CB-O 3.11Å; K67-E171 HydrophobicContact CG-CB 4Å; K67-E171 HydrophobicContact CG-CG 3.98Å; N68-E171 CarbonylContact C-O 3.49Å; N68-E171 WeakPolarHBondContact CA-O 3.4Å; N68-E171 WeakPolarHBondContact CB-O 3.17Å; N68-E171 PolarHBondContact N-O 2.94Å; E166-E171 HydrophobicContact CB-CG 4.16Å; E166-E171 HydrophobicContact CG-CG 4.41Å; S167-E171 PolarHBondContact O-N 3.02Å; H168-E171 PolarHBondContact O-N 3.34Å |
| 172 | A | 98.7 | Very high | 98.7 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -147.3 | 69.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N68 H168 S169 R174 | N68-A172 WeakPolarHBondContact O-CA 3.3Å; H168-A172 PolarHBondContact O-N 3.13Å; S169-A172 CarbonylContact O-C 3.27Å; A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 PolarHBondContact O-N 2.93Å |
| 173 | S | 98.6 | Very high | 98.7 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.9 | -166 | 59.5 | 0 | 0 | 0 | 0 | 115.8 | N68 D142 S169 R175 M176 N177 | N68-S173 PolarHBondContact O-N 2.95Å; D142-S173 WeakPolarHBondContact OD2-CB 3.4Å; D142-S173 PolarHBondContact OD2-OG 2.83Å; S169-S173 WeakPolarHBondContact O-CA 3.49Å; S169-S173 PolarHBondContact O-N 2.81Å; S169-S173 VanDerWaalsContact O-N 3.17Å; S173-R175 VanDerWaalsContact C-N 3.29Å; S173-R175 PolarHBondContact O-N 3.48Å; S173-R175 VanDerWaalsContact O-N 3.11Å; S173-M176 PolarHBondContact O-N 3.03Å; S173-M176 VanDerWaalsContact O-N 3.14Å; S173-N177 PolarHBondContact O-N 2.84Å |
| 174 | R | 98.6 | Very high | 98.7 | Very high | 176 Ų | 176 | 54 Ų | 54 | 66% | 0.664 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -47 | -47.6 | -174 | -178.6 | 178.3 | 176.6 | 176.9 | 3.8 | 113.3 | A172 N177 D178 | A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 PolarHBondContact O-N 2.93Å; R174-N177 PolarHBondContact O-N 3.4Å; R174-D178 WeakPolarHBondContact O-CB 3.29Å; R174-D178 PolarHBondContact O-N 3.01Å |
| 175 | R | 98.6 | Very high | 98.7 | Very high | 171 Ų | 171 | 58.6 Ų | 58.6 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -70.4 | -40.2 | -174.9 | -63.1 | -55.1 | -171.5 | -176.6 | 5.1 | 113.1 | S173 D178 I179 | S173-R175 VanDerWaalsContact C-N 3.29Å; S173-R175 PolarHBondContact O-N 3.48Å; S173-R175 VanDerWaalsContact O-N 3.11Å; R175-D178 IonicContact NH1-OD2 2.78Å; R175-D178 PolarHBondContact O-N 2.67Å; R175-I179 WeakPolarHBondContact O-CG1 3.25Å; R175-I179 PolarHBondContact O-N 3.1Å |
| 176 | M | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.5 | -178.6 | -174.2 | 70 | 0 | 0 | 110.3 | F102 K106 S173 D178 I179 L180 V218 C222 L223 | F102-M176 HydrophobicContact CE1-CE 3.6Å; F102-M176 HydrophobicContact CZ-CE 3.69Å; K106-M176 HydrophobicContact CG-CE 4.39Å; S173-M176 PolarHBondContact O-N 3.03Å; S173-M176 VanDerWaalsContact O-N 3.14Å; M176-D178 PolarHBondContact O-N 3.34Å; M176-I179 PolarHBondContact O-N 3.37Å; M176-L180 HydrophobicContact CG-CD1 3.98Å; M176-L180 HydrophobicContact CG-CG 4.49Å; M176-L180 WeakPolarHBondContact O-CG 3.46Å; M176-L180 PolarHBondContact O-N 3.4Å; M176-V218 HydrophobicContact CG-CG1 4.39Å; M176-C222 HydrophobicContact CB-CB 4.34Å; M176-C222 HydrophobicContact CG-CB 3.89Å; M176-C222 HydrophobicContact SD-CB 3.54Å; M176-C222 VanDerWaalsContact SD-CB 3.54Å; M176-L223 HydrophobicContact CE-CD1 4.33Å; M176-L223 HydrophobicContact CE-CD2 4.46Å; M176-L223 HydrophobicContact SD-CD1 4.01Å; M176-L223 HydrophobicContact SD-CD2 4.09Å; M176-L223 HydrophobicContact SD-CG 3.9Å |
| 177 | N | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -38.6 | 178.2 | -72.2 | -19.1 | 0 | 0 | 0 | 112.4 | K106 T140 D142 S173 R174 I179 L180 N181 | K106-N177 WeakPolarHBondContact CE-OD1 3.47Å; K106-N177 PolarHBondContact NZ-OD1 2.96Å; T140-N177 PolarHBondContact O-OD1 2.79Å; T140-N177 PolarHBondContact OG1-O 3.31Å; D142-N177 PolarHBondContact OD1-ND2 2.98Å; D142-N177 PolarHBondContact OD1-OD1 2.77Å; S173-N177 PolarHBondContact O-N 2.84Å; R174-N177 PolarHBondContact O-N 3.4Å; N177-I179 VanDerWaalsContact C-N 3.32Å; N177-I179 PolarHBondContact O-N 3.23Å; N177-L180 PolarHBondContact O-N 2.99Å; N177-N181 WeakPolarHBondContact O-CB 3.21Å; N177-N181 VanDerWaalsContact O-CG 3.24Å; N177-N181 PolarHBondContact O-N 3.31Å; N177-N181 PolarHBondContact O-ND2 3.46Å |
| 178 | D | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 56.2 Ų | 56.2 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 175.4 | -72.2 | -22.9 | 0 | 0 | 0 | 111.3 | R174 R175 M176 H182 | R174-D178 WeakPolarHBondContact O-CB 3.29Å; R174-D178 PolarHBondContact O-N 3.01Å; R175-D178 IonicContact NH1-OD2 2.78Å; R175-D178 PolarHBondContact O-N 2.67Å; M176-D178 PolarHBondContact O-N 3.34Å; D178-H182 WeakPolarHBondContact O-CB 3.14Å; D178-H182 PolarHBondContact O-N 3.21Å; D178-H182 VanDerWaalsContact O-N 3.1Å |
| 179 | I | 98.8 | Very high | 98.8 | Very high | 87 Ų | 87 | 54 Ų | 54 | 45% | 0.446 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -49.7 | 178.2 | -66 | 165.9 | 0 | 0 | 0 | 110.7 | R175 M176 N177 H182 K183 V218 | R175-I179 WeakPolarHBondContact O-CG1 3.25Å; R175-I179 PolarHBondContact O-N 3.1Å; M176-I179 PolarHBondContact O-N 3.37Å; N177-I179 VanDerWaalsContact C-N 3.32Å; N177-I179 PolarHBondContact O-N 3.23Å; I179-H182 WeakPolarHBondContact O-CB 3.26Å; I179-H182 PolarHBondContact O-N 3.01Å; I179-K183 PolarHBondContact O-N 3.45Å; I179-K183 VanDerWaalsContact O-N 3.11Å; I179-V218 HydrophobicContact CG2-CG1 4.1Å; I179-V218 HydrophobicContact CG2-CG2 4.22Å |
| 180 | L | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | -179.1 | -67.2 | 172.9 | 0 | 0 | 0 | 111.6 | K106 T140 M176 N177 H182 K183 L184 V215 V218 | K106-L180 HydrophobicContact CD-CD1 3.75Å; K106-L180 HydrophobicContact CG-CD1 3.58Å; T140-L180 HydrophobicContact CG2-CB 3.48Å; T140-L180 VanDerWaalsContact CG2-CB 3.48Å; T140-L180 HydrophobicContact CG2-CD1 4.3Å; M176-L180 HydrophobicContact CG-CD1 3.98Å; M176-L180 HydrophobicContact CG-CG 4.49Å; M176-L180 WeakPolarHBondContact O-CG 3.46Å; M176-L180 PolarHBondContact O-N 3.4Å; N177-L180 PolarHBondContact O-N 2.99Å; L180-H182 VanDerWaalsContact C-N 3.26Å; L180-H182 PolarHBondContact O-N 2.77Å; L180-K183 PolarHBondContact O-N 2.71Å; L180-K183 VanDerWaalsContact O-N 3.17Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.13Å; L180-L184 PolarHBondContact O-N 2.87Å; L180-V215 HydrophobicContact CD2-CB 4.43Å; L180-V215 HydrophobicContact CD2-CG1 4.06Å; L180-V215 HydrophobicContact CD2-CG2 4.4Å; L180-V218 HydrophobicContact CD2-CB 3.81Å; L180-V218 HydrophobicContact CD2-CG1 3.7Å; L180-V218 HydrophobicContact CD2-CG2 4.41Å; L180-V218 HydrophobicContact CG-CG1 3.98Å |
| 181 | N | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.5 | -39.5 | 175.2 | -81.4 | -31.3 | 0 | 0 | 0 | 111.9 | N138 P139 T140 N177 R185 | N138-N181 PolarHBondContact OD1-ND2 3.4Å; P139-N181 WeakPolarHBondContact CD-OD1 3.4Å; P139-N181 WeakPolarHBondContact CG-OD1 3.18Å; T140-N181 PolarHBondContact N-OD1 3.12Å; T140-N181 PolarHBondContact OG1-ND2 3.4Å; T140-N181 PolarHBondContact OG1-OD1 2.91Å; N177-N181 WeakPolarHBondContact O-CB 3.21Å; N177-N181 VanDerWaalsContact O-CG 3.24Å; N177-N181 PolarHBondContact O-N 3.31Å; N177-N181 PolarHBondContact O-ND2 3.46Å; N181-R185 WeakPolarHBondContact O-CD 3.4Å; N181-R185 VanDerWaalsContact O-CG 3.23Å; N181-R185 WeakPolarHBondContact O-CG 3.33Å; N181-R185 PolarHBondContact O-N 3.22Å; N181-R185 VanDerWaalsContact O-N 3.13Å |
| 182 | H | 98.8 | Very high | 98.8 | Very high | 124 Ų | 124 | 57.4 Ų | 57.4 | 57% | 0.574 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61 | -51.7 | 174.7 | 180 | 86.1 | 0 | 0 | 0 | 111.5 | D178 I179 L180 L184 R185 E186 | D178-H182 WeakPolarHBondContact O-CB 3.14Å; D178-H182 PolarHBondContact O-N 3.21Å; D178-H182 VanDerWaalsContact O-N 3.1Å; I179-H182 WeakPolarHBondContact O-CB 3.26Å; I179-H182 PolarHBondContact O-N 3.01Å; L180-H182 VanDerWaalsContact C-N 3.26Å; L180-H182 PolarHBondContact O-N 2.77Å; H182-L184 PolarHBondContact O-N 3.28Å; H182-R185 PolarHBondContact O-N 3.45Å; H182-E186 PolarHBondContact O-N 2.88Å; H182-E186 VanDerWaalsContact O-N 3.11Å |
| 183 | K | 98.8 | Very high | 98.8 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.9 | -70.3 | -59.3 | -56.3 | 179.8 | 0 | 112.6 | I179 L180 R185 E186 Y187 E214 | I179-K183 PolarHBondContact O-N 3.45Å; I179-K183 VanDerWaalsContact O-N 3.11Å; L180-K183 PolarHBondContact O-N 2.71Å; L180-K183 VanDerWaalsContact O-N 3.17Å; K183-R185 VanDerWaalsContact C-N 3.31Å; K183-R185 PolarHBondContact O-N 2.75Å; K183-E186 WeakPolarHBondContact CE-OE2 3.49Å; K183-E186 VanDerWaalsContact NZ-CD 3.25Å; K183-E186 IonicContact NZ-OE1 3Å; K183-E186 PolarHBondContact NZ-OE1 3.29Å; K183-E186 IonicContact NZ-OE2 2.69Å; K183-E186 PolarHBondContact NZ-OE2 3.48Å; K183-E186 WeakPolarHBondContact O-CB 3.49Å; K183-E186 PolarHBondContact O-N 2.86Å; K183-Y187 HydrophobicContact CB-CE2 4.06Å; K183-Y187 VanDerWaalsContact CE-CE1 3.46Å; K183-Y187 WeakPolarHBondContact CE-OH 3.4Å; K183-Y187 WeakPolarHBondContact O-CB 3.36Å; K183-Y187 WeakPolarHBondContact O-CD1 3.47Å; K183-Y187 WeakPolarHBondContact O-CD2 3.25Å; K183-Y187 PolarHBondContact O-N 3.31Å; K183-E214 WeakPolarHBondContact CE-OE2 3.49Å; K183-E214 IonicContact NZ-OE2 2.85Å; K183-E214 PolarHBondContact NZ-OE2 2.92Å |
| 184 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 178 | -70.5 | -172.8 | 0 | 0 | 0 | 112.8 | C110 F113 L114 P139 T140 L180 H182 Y187 C188 V215 | C110-L184 HydrophobicContact CB-CD1 4.36Å; C110-L184 HydrophobicContact CB-CD2 4.1Å; F113-L184 HydrophobicContact CD1-CB 4.01Å; F113-L184 HydrophobicContact CD1-CD1 3.96Å; F113-L184 HydrophobicContact CD1-CD2 4.1Å; F113-L184 HydrophobicContact CD1-CG 4.26Å; F113-L184 HydrophobicContact CE1-CB 3.79Å; F113-L184 HydrophobicContact CE1-CD1 4.48Å; F113-L184 HydrophobicContact CG-CD1 4.42Å; L114-L184 HydrophobicContact CD2-CD2 4.05Å; L114-L184 HydrophobicContact CG-CD2 4.39Å; P139-L184 HydrophobicContact CB-CB 4.45Å; P139-L184 HydrophobicContact CB-CD1 3.71Å; P139-L184 HydrophobicContact CG-CB 4Å; P139-L184 HydrophobicContact CG-CD1 3.9Å; T140-L184 HydrophobicContact CG2-CD1 3.41Å; T140-L184 VanDerWaalsContact CG2-CD1 3.41Å; T140-L184 HydrophobicContact CG2-CG 4.36Å; L180-L184 WeakPolarHBondContact O-CB 3.48Å; L180-L184 WeakPolarHBondContact O-CG 3.13Å; L180-L184 PolarHBondContact O-N 2.87Å; H182-L184 PolarHBondContact O-N 3.28Å; L184-Y187 HydrophobicContact CD2-CD2 4.08Å; L184-Y187 PolarHBondContact O-N 3.28Å; L184-C188 WeakPolarHBondContact O-CB 3.44Å; L184-C188 PolarHBondContact O-N 2.95Å; L184-V215 HydrophobicContact CD2-CG2 4.41Å |
| 185 | R | 98.9 | Very high | 98.8 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 42% | 0.415 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.2 | -41 | 173.7 | -70.6 | 164.8 | 179.6 | 150.8 | 0.8 | 111.8 | L136 S137 N181 H182 K183 Y187 C188 L189 | L136-R185 HydrophobicContact CD2-CB 4.36Å; L136-R185 HydrophobicContact CD2-CG 3.83Å; L136-R185 PolarHBondContact O-NE 3.15Å; L136-R185 PolarHBondContact O-NH2 2.88Å; S137-R185 PolarHBondContact O-NH2 2.67Å; N181-R185 WeakPolarHBondContact O-CD 3.4Å; N181-R185 VanDerWaalsContact O-CG 3.23Å; N181-R185 WeakPolarHBondContact O-CG 3.33Å; N181-R185 PolarHBondContact O-N 3.22Å; N181-R185 VanDerWaalsContact O-N 3.13Å; H182-R185 PolarHBondContact O-N 3.45Å; K183-R185 VanDerWaalsContact C-N 3.31Å; K183-R185 PolarHBondContact O-N 2.75Å; R185-Y187 VanDerWaalsContact C-N 3.33Å; R185-C188 PolarHBondContact O-N 3.4Å; R185-L189 PolarHBondContact O-N 3.1Å |
| 186 | E | 98.9 | Very high | 98.8 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 171.6 | -175.9 | -163.8 | 141.1 | 0 | 0 | 111.3 | H182 K183 L189 R190 | H182-E186 PolarHBondContact O-N 2.88Å; H182-E186 VanDerWaalsContact O-N 3.11Å; K183-E186 WeakPolarHBondContact CE-OE2 3.49Å; K183-E186 VanDerWaalsContact NZ-CD 3.25Å; K183-E186 IonicContact NZ-OE1 3Å; K183-E186 PolarHBondContact NZ-OE1 3.29Å; K183-E186 IonicContact NZ-OE2 2.69Å; K183-E186 PolarHBondContact NZ-OE2 3.48Å; K183-E186 WeakPolarHBondContact O-CB 3.49Å; K183-E186 PolarHBondContact O-N 2.86Å; E186-L189 WeakPolarHBondContact O-CB 3.19Å; E186-L189 PolarHBondContact O-N 2.8Å; E186-R190 PolarHBondContact O-N 3.11Å; E186-R190 VanDerWaalsContact O-N 3.07Å |
| 187 | Y | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 178.8 | -62.1 | -18.2 | 0 | 0 | 0 | 112.9 | L114 K183 L184 R185 L189 R190 L191 M211 E214 V215 | L114-Y187 HydrophobicContact CD2-CD2 3.9Å; L114-Y187 HydrophobicContact CD2-CG 4.21Å; K183-Y187 HydrophobicContact CB-CE2 4.06Å; K183-Y187 VanDerWaalsContact CE-CE1 3.46Å; K183-Y187 WeakPolarHBondContact CE-OH 3.4Å; K183-Y187 WeakPolarHBondContact O-CB 3.36Å; K183-Y187 WeakPolarHBondContact O-CD1 3.47Å; K183-Y187 WeakPolarHBondContact O-CD2 3.25Å; K183-Y187 PolarHBondContact O-N 3.31Å; L184-Y187 HydrophobicContact CD2-CD2 4.08Å; L184-Y187 PolarHBondContact O-N 3.28Å; R185-Y187 VanDerWaalsContact C-N 3.33Å; Y187-L189 VanDerWaalsContact C-N 3.32Å; Y187-L189 PolarHBondContact O-N 3.13Å; Y187-R190 PolarHBondContact O-N 2.86Å; Y187-L191 WeakPolarHBondContact O-CB 3.35Å; Y187-L191 VanDerWaalsContact O-CG 3.31Å; Y187-L191 WeakPolarHBondContact O-CG 3.46Å; Y187-L191 PolarHBondContact O-N 3.15Å; Y187-M211 HydrophobicContact CD1-CB 4.43Å; Y187-M211 HydrophobicContact CD1-CE 4.11Å; Y187-M211 HydrophobicContact CD1-CG 3.67Å; Y187-M211 HydrophobicContact CD1-SD 4.07Å; Y187-M211 HydrophobicContact CD2-CB 3.7Å; Y187-M211 HydrophobicContact CD2-CG 3.79Å; Y187-M211 HydrophobicContact CD2-SD 4.19Å; Y187-M211 HydrophobicContact CE1-CB 4.37Å; Y187-M211 HydrophobicContact CE1-CG 3.82Å; Y187-M211 HydrophobicContact CE2-CB 3.62Å; Y187-M211 HydrophobicContact CE2-CG 3.93Å; Y187-M211 HydrophobicContact CG-CB 4.11Å; Y187-M211 HydrophobicContact CG-CE 4.26Å; Y187-M211 HydrophobicContact CG-CG 3.65Å; Y187-M211 HydrophobicContact CG-SD 3.72Å; Y187-E214 WeakPolarHBondContact OH-CB 3.37Å; Y187-E214 PolarHBondContact OH-OE2 3.22Å; Y187-V215 HydrophobicContact CE2-CG2 4.34Å |
| 188 | C | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.5 | -47.9 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 111 | F113 C117 L136 L184 R185 R190 L191 R192 | F113-C188 HydrophobicContact CE1-CB 4.42Å; F113-C188 HydrophobicContact CZ-CB 4.44Å; C117-C188 HydrophobicContact CB-CB 4.47Å; C117-C188 VanDerWaalsContact SG-CB 3.59Å; C117-C188 PolarHBondContact SG-SG 3.02Å; L136-C188 HydrophobicContact CD2-CB 3.77Å; L184-C188 WeakPolarHBondContact O-CB 3.44Å; L184-C188 PolarHBondContact O-N 2.95Å; R185-C188 PolarHBondContact O-N 3.4Å; C188-R190 PolarHBondContact O-N 3.28Å; C188-L191 PolarHBondContact O-N 3.19Å; C188-R192 VanDerWaalsContact O-CB 3.31Å; C188-R192 WeakPolarHBondContact O-CB 3.3Å; C188-R192 WeakPolarHBondContact O-CG 3.11Å; C188-R192 PolarHBondContact O-N 3.28Å |
| 189 | L | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 56% | 0.56 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57 | -49.8 | 175.2 | 172.9 | 64.1 | 0 | 0 | 0 | 111.4 | R185 E186 Y187 R192 N193 | R185-L189 PolarHBondContact O-N 3.1Å; E186-L189 WeakPolarHBondContact O-CB 3.19Å; E186-L189 PolarHBondContact O-N 2.8Å; Y187-L189 VanDerWaalsContact C-N 3.32Å; Y187-L189 PolarHBondContact O-N 3.13Å; L189-R192 PolarHBondContact O-N 3.14Å; L189-N193 VanDerWaalsContact O-CG 3.29Å; L189-N193 PolarHBondContact O-N 3.21Å |
| 190 | R | 98.8 | Very high | 98.6 | Very high | 118 Ų | 118 | 58.1 Ų | 58.1 | 45% | 0.445 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | -178.8 | -179 | 171.7 | 165 | -161.8 | -2.3 | 112.2 | E186 Y187 C188 R192 N193 M194 M211 | E186-R190 PolarHBondContact O-N 3.11Å; E186-R190 VanDerWaalsContact O-N 3.07Å; Y187-R190 PolarHBondContact O-N 2.86Å; C188-R190 PolarHBondContact O-N 3.28Å; R190-R192 VanDerWaalsContact C-N 3.34Å; R190-R192 PolarHBondContact O-N 2.96Å; R190-N193 PolarHBondContact O-N 3.28Å; R190-M194 HydrophobicContact CG-SD 4.26Å; R190-M194 WeakPolarHBondContact O-CG 3.36Å; R190-M194 PolarHBondContact O-N 3.23Å; R190-M211 HydrophobicContact CB-CE 4.05Å; R190-M211 HydrophobicContact CG-CE 3.87Å |
| 191 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 179.7 | -70.1 | 171.5 | 0 | 0 | 0 | 111.7 | L114 C117 V118 Y187 C188 N193 M194 V195 L204 I208 M211 | L114-L191 HydrophobicContact CB-CD1 4.01Å; L114-L191 HydrophobicContact CD2-CD1 3.78Å; L114-L191 HydrophobicContact CG-CD1 4.47Å; C117-L191 HydrophobicContact CB-CD1 4.12Å; V118-L191 HydrophobicContact CG2-CB 4.22Å; V118-L191 HydrophobicContact CG2-CD1 4.21Å; V118-L191 HydrophobicContact CG2-CD2 4.11Å; V118-L191 HydrophobicContact CG2-CG 4.41Å; Y187-L191 WeakPolarHBondContact O-CB 3.35Å; Y187-L191 VanDerWaalsContact O-CG 3.31Å; Y187-L191 WeakPolarHBondContact O-CG 3.46Å; Y187-L191 PolarHBondContact O-N 3.15Å; C188-L191 PolarHBondContact O-N 3.19Å; L191-N193 PolarHBondContact O-N 2.83Å; L191-M194 HydrophobicContact CD2-SD 4.48Å; L191-M194 WeakPolarHBondContact O-CB 3.36Å; L191-M194 PolarHBondContact O-N 2.94Å; L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.29Å; L191-L204 HydrophobicContact CD2-CD2 4.29Å; L191-I208 HydrophobicContact CD1-CG1 4.34Å; L191-I208 HydrophobicContact CD2-CG1 3.89Å; L191-M211 HydrophobicContact CD1-SD 4.01Å; L191-M211 HydrophobicContact CD2-CE 4.01Å; L191-M211 HydrophobicContact CD2-SD 4.04Å; L191-M211 HydrophobicContact CG-CE 3.95Å; L191-M211 HydrophobicContact CG-SD 3.95Å |
| 192 | R | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 70.5 Ų | 70.5 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.7 | -71.1 | 177.9 | 67.2 | 79.2 | 5.9 | 112 | A121 E125 C188 L189 R190 M194 V195 A196 | A121-R192 HydrophobicContact CB-CB 4.42Å; A121-R192 HydrophobicContact CB-CG 3.92Å; E125-R192 PolarHBondContact O-NH1 3.03Å; E125-R192 PolarHBondContact O-NH2 3.23Å; C188-R192 VanDerWaalsContact O-CB 3.31Å; C188-R192 WeakPolarHBondContact O-CB 3.3Å; C188-R192 WeakPolarHBondContact O-CG 3.11Å; C188-R192 PolarHBondContact O-N 3.28Å; L189-R192 PolarHBondContact O-N 3.14Å; R190-R192 VanDerWaalsContact C-N 3.34Å; R190-R192 PolarHBondContact O-N 2.96Å; R192-M194 VanDerWaalsContact C-N 3.35Å; R192-V195 PolarHBondContact O-N 2.77Å; R192-A196 WeakPolarHBondContact O-CB 3.41Å; R192-A196 PolarHBondContact O-N 3.49Å |
| 193 | N | 98.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 69.2 Ų | 69.2 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 175 | -71.1 | -14.5 | 0 | 0 | 0 | 112.2 | L189 R190 L191 A196 S197 | L189-N193 VanDerWaalsContact O-CG 3.29Å; L189-N193 PolarHBondContact O-N 3.21Å; R190-N193 PolarHBondContact O-N 3.28Å; L191-N193 PolarHBondContact O-N 2.83Å; N193-A196 PolarHBondContact O-N 3.17Å; N193-S197 WeakPolarHBondContact O-CB 3.09Å; N193-S197 PolarHBondContact O-N 2.94Å; N193-S197 PolarHBondContact O-OG 3.48Å |
| 194 | M | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.2 | -70.7 | 176.3 | 70.2 | 0 | 0 | 111.3 | R190 L191 R192 A196 S197 D198 A199 E203 L204 A207 | R190-M194 HydrophobicContact CG-SD 4.26Å; R190-M194 WeakPolarHBondContact O-CG 3.36Å; R190-M194 PolarHBondContact O-N 3.23Å; L191-M194 HydrophobicContact CD2-SD 4.48Å; L191-M194 WeakPolarHBondContact O-CB 3.36Å; L191-M194 PolarHBondContact O-N 2.94Å; R192-M194 VanDerWaalsContact C-N 3.35Å; M194-A196 VanDerWaalsContact C-N 3.33Å; M194-A196 PolarHBondContact O-N 3.42Å; M194-S197 CarbonylContact O-C 3.49Å; M194-S197 PolarHBondContact O-N 3.1Å; M194-S197 VanDerWaalsContact O-N 3.14Å; M194-D198 PolarHBondContact O-N 2.85Å; M194-A199 HydrophobicContact CB-CB 3.87Å; M194-A199 HydrophobicContact CE-CB 4.29Å; M194-A199 WeakPolarHBondContact O-CB 3.29Å; M194-A199 PolarHBondContact O-N 3.5Å; M194-E203 HydrophobicContact CE-CB 4.31Å; M194-E203 WeakPolarHBondContact CE-O 3.44Å; M194-L204 HydrophobicContact CB-CD2 3.8Å; M194-L204 HydrophobicContact CE-CD2 4.13Å; M194-L204 HydrophobicContact SD-CD2 4.49Å; M194-A207 HydrophobicContact CE-CB 3.7Å; M194-A207 HydrophobicContact SD-CB 3.76Å |
| 195 | V | 98.6 | Very high | 98.5 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 15% | 0.145 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | V118 A121 Q122 L191 R192 S197 D198 L204 | V118-V195 HydrophobicContact CG1-CG2 4.13Å; A121-V195 HydrophobicContact CB-CB 3.83Å; A121-V195 HydrophobicContact CB-CG1 3.8Å; A121-V195 HydrophobicContact CB-CG2 3.97Å; Q122-V195 HydrophobicContact CG-CG1 3.92Å; Q122-V195 HydrophobicContact CG-CG2 4.48Å; L191-V195 WeakPolarHBondContact O-CG2 3.44Å; L191-V195 PolarHBondContact O-N 3.29Å; R192-V195 PolarHBondContact O-N 2.77Å; V195-S197 PolarHBondContact O-N 3.31Å; V195-D198 PolarHBondContact O-N 2.95Å; V195-L204 HydrophobicContact CG2-CD1 4.19Å; V195-L204 HydrophobicContact CG2-CD2 4.05Å |
| 196 | A | 98.1 | Very high | 98.4 | Very high | 81 Ų | 81 | 70.7 Ų | 70.7 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.8 | -20.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R192 N193 M194 | R192-A196 WeakPolarHBondContact O-CB 3.41Å; R192-A196 PolarHBondContact O-N 3.49Å; N193-A196 PolarHBondContact O-N 3.17Å; M194-A196 VanDerWaalsContact C-N 3.33Å; M194-A196 PolarHBondContact O-N 3.42Å |
| 197 | S | 98.1 | Very high | 98.4 | Very high | 95 Ų | 95 | 66.8 Ų | 66.8 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 18 | 175.9 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | N193 M194 V195 A199 | N193-S197 WeakPolarHBondContact O-CB 3.09Å; N193-S197 PolarHBondContact O-N 2.94Å; N193-S197 PolarHBondContact O-OG 3.48Å; M194-S197 CarbonylContact O-C 3.49Å; M194-S197 PolarHBondContact O-N 3.1Å; M194-S197 VanDerWaalsContact O-N 3.14Å; V195-S197 PolarHBondContact O-N 3.31Å; S197-A199 VanDerWaalsContact C-N 3.26Å; S197-A199 PolarHBondContact O-N 3.01Å |
| 198 | D | 97.7 | Very high | 98.4 | Very high | 146 Ų | 146 | 66.9 Ų | 66.9 | 78% | 0.781 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 34.8 | 179.3 | -61.4 | -54.6 | 0 | 0 | 0 | 114.4 | M194 V195 T200 | M194-D198 PolarHBondContact O-N 2.85Å; V195-D198 PolarHBondContact O-N 2.95Å; D198-T200 PolarHBondContact O-N 3.21Å |
| 199 | A | 98.1 | Very high | 98.4 | Very high | 25 Ų | 25 | 70.6 Ų | 70.6 | 21% | 0.207 | 38% | 0.383 | C | S | . | . | trans | -56.6 | 140.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M194 S197 E203 L204 | M194-A199 HydrophobicContact CB-CB 3.87Å; M194-A199 HydrophobicContact CE-CB 4.29Å; M194-A199 WeakPolarHBondContact O-CB 3.29Å; M194-A199 PolarHBondContact O-N 3.5Å; S197-A199 VanDerWaalsContact C-N 3.26Å; S197-A199 PolarHBondContact O-N 3.01Å; A199-E203 HydrophobicContact CB-CB 4.44Å; A199-L204 HydrophobicContact CB-CD2 4.48Å; A199-L204 HydrophobicContact CB-CG 4.29Å | ||
| 200 | T | 98.2 | Very high | 98.4 | Very high | 75 Ų | 75 | 68.5 Ų | 68.5 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | trans | -68.6 | 160.8 | 179.4 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | D198 V202 E203 L204 | D198-T200 PolarHBondContact O-N 3.21Å; T200-V202 PolarHBondContact O-N 2.9Å; T200-E203 WeakPolarHBondContact CB-OE2 3.38Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.37Å; T200-E203 PolarHBondContact N-OE2 2.74Å; T200-E203 PolarHBondContact O-N 3.41Å; T200-E203 WeakPolarHBondContact OG1-CG 3.3Å; T200-E203 PolarHBondContact OG1-N 3.08Å; T200-E203 PolarHBondContact OG1-OE2 3.02Å; T200-L204 WeakPolarHBondContact O-CG 3.48Å; T200-L204 PolarHBondContact O-N 3.4Å | ||
| 201 | K | 97.2 | Very high | 98.4 | Very high | 179 Ų | 179 | 63 Ų | 63 | 78% | 0.778 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.1 | -32.4 | 174.6 | -68.5 | -175.5 | 178.1 | -178.3 | 0 | 112.7 | S205 | K201-S205 WeakPolarHBondContact O-CB 3.48Å; K201-S205 PolarHBondContact O-N 3.04Å |
| 202 | V | 98.2 | Very high | 98.4 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 56% | 0.564 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.2 | -50 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | T200 L204 S205 E206 | T200-V202 PolarHBondContact O-N 2.9Å; V202-L204 VanDerWaalsContact C-N 3.31Å; V202-L204 PolarHBondContact O-N 3Å; V202-S205 WeakPolarHBondContact O-CB 3.27Å; V202-S205 PolarHBondContact O-N 2.72Å; V202-S205 VanDerWaalsContact O-N 3.08Å; V202-E206 HydrophobicContact CG1-CG 4.5Å; V202-E206 WeakPolarHBondContact O-CG 3.33Å; V202-E206 PolarHBondContact O-N 3.11Å |
| 203 | E | 98.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 68 Ų | 68 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 178 | -69.5 | 163.2 | 134.8 | 0 | 0 | 112.2 | M194 A199 T200 A207 | M194-E203 HydrophobicContact CE-CB 4.31Å; M194-E203 WeakPolarHBondContact CE-O 3.44Å; A199-E203 HydrophobicContact CB-CB 4.44Å; T200-E203 WeakPolarHBondContact CB-OE2 3.38Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.37Å; T200-E203 PolarHBondContact N-OE2 2.74Å; T200-E203 PolarHBondContact O-N 3.41Å; T200-E203 WeakPolarHBondContact OG1-CG 3.3Å; T200-E203 PolarHBondContact OG1-N 3.08Å; T200-E203 PolarHBondContact OG1-OE2 3.02Å; E203-A207 WeakPolarHBondContact O-CB 3.5Å; E203-A207 PolarHBondContact O-N 3.08Å |
| 204 | L | 98.5 | Very high | 98.4 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.1 | -72.6 | 168.1 | 0 | 0 | 0 | 111.7 | V118 L191 M194 V195 A199 T200 V202 A207 I208 | V118-L204 HydrophobicContact CG1-CD1 4.12Å; V118-L204 HydrophobicContact CG2-CD2 4.3Å; L191-L204 HydrophobicContact CD2-CD2 4.29Å; M194-L204 HydrophobicContact CB-CD2 3.8Å; M194-L204 HydrophobicContact CE-CD2 4.13Å; M194-L204 HydrophobicContact SD-CD2 4.49Å; V195-L204 HydrophobicContact CG2-CD1 4.19Å; V195-L204 HydrophobicContact CG2-CD2 4.05Å; A199-L204 HydrophobicContact CB-CD2 4.48Å; A199-L204 HydrophobicContact CB-CG 4.29Å; T200-L204 WeakPolarHBondContact O-CG 3.48Å; T200-L204 PolarHBondContact O-N 3.4Å; V202-L204 VanDerWaalsContact C-N 3.31Å; V202-L204 PolarHBondContact O-N 3Å; L204-A207 PolarHBondContact O-N 3.26Å; L204-I208 VanDerWaalsContact O-CG1 3.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.3Å; L204-I208 PolarHBondContact O-N 3.13Å |
| 205 | S | 98.3 | Very high | 98.4 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 177.3 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | K201 V202 A207 I208 D209 | K201-S205 WeakPolarHBondContact O-CB 3.48Å; K201-S205 PolarHBondContact O-N 3.04Å; V202-S205 WeakPolarHBondContact O-CB 3.27Å; V202-S205 PolarHBondContact O-N 2.72Å; V202-S205 VanDerWaalsContact O-N 3.08Å; S205-A207 VanDerWaalsContact C-N 3.29Å; S205-A207 PolarHBondContact O-N 3.17Å; S205-I208 PolarHBondContact O-N 2.94Å; S205-I208 VanDerWaalsContact O-N 3.13Å; S205-D209 VanDerWaalsContact O-CG 3.3Å; S205-D209 PolarHBondContact O-N 3.12Å |
| 206 | E | 98.5 | Very high | 98.4 | Very high | 117 Ų | 117 | 69 Ų | 69 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 179.4 | -70 | 175.6 | 171 | 0 | 0 | 112.2 | V202 D209 S210 | V202-E206 HydrophobicContact CG1-CG 4.5Å; V202-E206 WeakPolarHBondContact O-CG 3.33Å; V202-E206 PolarHBondContact O-N 3.11Å; E206-D209 PolarHBondContact O-N 2.78Å; E206-S210 PolarHBondContact O-N 3.36Å; E206-S210 VanDerWaalsContact O-N 3.08Å; E206-S210 PolarHBondContact O-OG 3Å |
| 207 | A | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | M194 E203 L204 S205 D209 S210 M211 | M194-A207 HydrophobicContact CE-CB 3.7Å; M194-A207 HydrophobicContact SD-CB 3.76Å; E203-A207 WeakPolarHBondContact O-CB 3.5Å; E203-A207 PolarHBondContact O-N 3.08Å; L204-A207 PolarHBondContact O-N 3.26Å; S205-A207 VanDerWaalsContact C-N 3.29Å; S205-A207 PolarHBondContact O-N 3.17Å; A207-D209 VanDerWaalsContact C-N 3.34Å; A207-S210 PolarHBondContact O-N 3.06Å; A207-M211 HydrophobicContact CB-CE 4.4Å; A207-M211 WeakPolarHBondContact O-CG 3.29Å; A207-M211 PolarHBondContact O-N 2.93Å |
| 208 | I | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.1 | -69.1 | 170.8 | 0 | 0 | 0 | 110.6 | Y111 L114 V118 L191 L204 S205 S210 M211 I212 | Y111-I208 HydrophobicContact CD2-CG2 3.69Å; Y111-I208 HydrophobicContact CE2-CG2 3.4Å; Y111-I208 VanDerWaalsContact CE2-CG2 3.4Å; L114-I208 HydrophobicContact CB-CG1 4.31Å; L114-I208 HydrophobicContact CB-CG2 4.24Å; L114-I208 HydrophobicContact CD1-CG2 4.02Å; V118-I208 HydrophobicContact CG2-CD1 4.15Å; L191-I208 HydrophobicContact CD1-CG1 4.34Å; L191-I208 HydrophobicContact CD2-CG1 3.89Å; L204-I208 VanDerWaalsContact O-CG1 3.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.3Å; L204-I208 PolarHBondContact O-N 3.13Å; S205-I208 PolarHBondContact O-N 2.94Å; S205-I208 VanDerWaalsContact O-N 3.13Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 3.05Å; I208-M211 WeakPolarHBondContact O-CB 3.16Å; I208-M211 PolarHBondContact O-N 3Å; I208-M211 VanDerWaalsContact O-N 3.17Å; I208-I212 PolarHBondContact O-N 2.9Å |
| 209 | D | 98.7 | Very high | 98.5 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.9 | -70.4 | -22.7 | 0 | 0 | 0 | 111.4 | S205 E206 A207 I212 E213 | S205-D209 VanDerWaalsContact O-CG 3.3Å; S205-D209 PolarHBondContact O-N 3.12Å; E206-D209 PolarHBondContact O-N 2.78Å; A207-D209 VanDerWaalsContact C-N 3.34Å; D209-I212 WeakPolarHBondContact O-CG2 3.3Å; D209-I212 PolarHBondContact O-N 3.28Å; D209-E213 PolarHBondContact O-N 3.43Å; D209-E213 VanDerWaalsContact O-N 3.09Å |
| 210 | S | 98.7 | Very high | 98.5 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | E206 A207 I208 E213 E214 | E206-S210 PolarHBondContact O-N 3.36Å; E206-S210 VanDerWaalsContact O-N 3.08Å; E206-S210 PolarHBondContact O-OG 3Å; A207-S210 PolarHBondContact O-N 3.06Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 3.05Å; S210-E213 PolarHBondContact O-N 2.72Å; S210-E214 PolarHBondContact O-N 2.88Å |
| 211 | M | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 179 | -71.7 | 166.9 | -175.8 | 0 | 0 | 112.1 | L114 Y187 R190 L191 A207 I208 E213 E214 V215 | L114-M211 HydrophobicContact CD1-CB 3.78Å; L114-M211 HydrophobicContact CD1-SD 4.44Å; L114-M211 HydrophobicContact CD2-SD 4.14Å; Y187-M211 HydrophobicContact CD1-CB 4.43Å; Y187-M211 HydrophobicContact CD1-CE 4.11Å; Y187-M211 HydrophobicContact CD1-CG 3.67Å; Y187-M211 HydrophobicContact CD1-SD 4.07Å; Y187-M211 HydrophobicContact CD2-CB 3.7Å; Y187-M211 HydrophobicContact CD2-CG 3.79Å; Y187-M211 HydrophobicContact CD2-SD 4.19Å; Y187-M211 HydrophobicContact CE1-CB 4.37Å; Y187-M211 HydrophobicContact CE1-CG 3.82Å; Y187-M211 HydrophobicContact CE2-CB 3.62Å; Y187-M211 HydrophobicContact CE2-CG 3.93Å; Y187-M211 HydrophobicContact CG-CB 4.11Å; Y187-M211 HydrophobicContact CG-CE 4.26Å; Y187-M211 HydrophobicContact CG-CG 3.65Å; Y187-M211 HydrophobicContact CG-SD 3.72Å; R190-M211 HydrophobicContact CB-CE 4.05Å; R190-M211 HydrophobicContact CG-CE 3.87Å; L191-M211 HydrophobicContact CD1-SD 4.01Å; L191-M211 HydrophobicContact CD2-CE 4.01Å; L191-M211 HydrophobicContact CD2-SD 4.04Å; L191-M211 HydrophobicContact CG-CE 3.95Å; L191-M211 HydrophobicContact CG-SD 3.95Å; A207-M211 HydrophobicContact CB-CE 4.4Å; A207-M211 WeakPolarHBondContact O-CG 3.29Å; A207-M211 PolarHBondContact O-N 2.93Å; I208-M211 WeakPolarHBondContact O-CB 3.16Å; I208-M211 PolarHBondContact O-N 3Å; I208-M211 VanDerWaalsContact O-N 3.17Å; M211-E213 VanDerWaalsContact C-N 3.33Å; M211-E214 PolarHBondContact O-N 3.04Å; M211-V215 WeakPolarHBondContact O-CG2 3.48Å; M211-V215 PolarHBondContact O-N 3.48Å; M211-V215 VanDerWaalsContact O-N 3.17Å |
| 212 | I | 98.7 | Very high | 98.6 | Very high | 28 Ų | 28 | 57.2 Ų | 57.2 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.7 | -28.1 | 179.9 | -157.5 | 66.5 | 0 | 0 | 0 | 111.7 | I107 C110 Y111 I208 D209 E214 V215 F216 | I107-I212 HydrophobicContact CG2-CD1 4.28Å; I107-I212 HydrophobicContact CG2-CG1 4.26Å; C110-I212 HydrophobicContact CB-CD1 4Å; Y111-I212 HydrophobicContact CD2-CB 4.42Å; Y111-I212 HydrophobicContact CD2-CD1 4.43Å; Y111-I212 HydrophobicContact CD2-CG1 4.26Å; I208-I212 PolarHBondContact O-N 2.9Å; D209-I212 WeakPolarHBondContact O-CG2 3.3Å; D209-I212 PolarHBondContact O-N 3.28Å; I212-E214 VanDerWaalsContact C-N 3.35Å; I212-V215 HydrophobicContact CD1-CB 4.04Å; I212-V215 HydrophobicContact CD1-CG1 4.15Å; I212-V215 HydrophobicContact CD1-CG2 4.34Å; I212-V215 WeakPolarHBondContact O-CB 3.31Å; I212-V215 PolarHBondContact O-N 3.45Å; I212-F216 WeakPolarHBondContact O-CB 3.47Å; I212-F216 PolarHBondContact O-N 3.03Å |
| 213 | E | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 53.2 Ų | 53.2 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 170 | -167.4 | -166.3 | 141.6 | 0 | 0 | 111.6 | D209 S210 M211 F216 R217 | D209-E213 PolarHBondContact O-N 3.43Å; D209-E213 VanDerWaalsContact O-N 3.09Å; S210-E213 PolarHBondContact O-N 2.72Å; M211-E213 VanDerWaalsContact C-N 3.33Å; E213-F216 WeakPolarHBondContact O-CB 3.43Å; E213-F216 PolarHBondContact O-N 2.82Å; E213-R217 PolarHBondContact O-N 3.23Å; E213-R217 IonicContact OE1-NH2 3.81Å |
| 214 | E | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.411 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.9 | -72.6 | -169.7 | -150.6 | 0 | 0 | 112.2 | K183 Y187 S210 M211 I212 F216 R217 V218 | K183-E214 WeakPolarHBondContact CE-OE2 3.49Å; K183-E214 IonicContact NZ-OE2 2.85Å; K183-E214 PolarHBondContact NZ-OE2 2.92Å; Y187-E214 WeakPolarHBondContact OH-CB 3.37Å; Y187-E214 PolarHBondContact OH-OE2 3.22Å; S210-E214 PolarHBondContact O-N 2.88Å; M211-E214 PolarHBondContact O-N 3.04Å; I212-E214 VanDerWaalsContact C-N 3.35Å; E214-F216 VanDerWaalsContact C-N 3.35Å; E214-R217 WeakPolarHBondContact O-CB 3.41Å; E214-R217 PolarHBondContact O-N 3.39Å; E214-V218 WeakPolarHBondContact O-CG2 3.25Å; E214-V218 PolarHBondContact O-N 3.45Å; E214-V218 VanDerWaalsContact O-N 3.08Å |
| 215 | V | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | I107 C110 L180 L184 Y187 M211 I212 R217 V218 A219 | I107-V215 HydrophobicContact CD1-CG1 3.82Å; C110-V215 HydrophobicContact CB-CB 4.47Å; C110-V215 HydrophobicContact CB-CG1 3.71Å; C110-V215 HydrophobicContact CB-CG2 4.1Å; L180-V215 HydrophobicContact CD2-CB 4.43Å; L180-V215 HydrophobicContact CD2-CG1 4.06Å; L180-V215 HydrophobicContact CD2-CG2 4.4Å; L184-V215 HydrophobicContact CD2-CG2 4.41Å; Y187-V215 HydrophobicContact CE2-CG2 4.34Å; M211-V215 WeakPolarHBondContact O-CG2 3.48Å; M211-V215 PolarHBondContact O-N 3.48Å; M211-V215 VanDerWaalsContact O-N 3.17Å; I212-V215 HydrophobicContact CD1-CB 4.04Å; I212-V215 HydrophobicContact CD1-CG1 4.15Å; I212-V215 HydrophobicContact CD1-CG2 4.34Å; I212-V215 WeakPolarHBondContact O-CB 3.31Å; I212-V215 PolarHBondContact O-N 3.45Å; V215-R217 VanDerWaalsContact C-N 3.31Å; V215-R217 PolarHBondContact O-N 2.87Å; V215-V218 PolarHBondContact O-N 2.99Å; V215-A219 WeakPolarHBondContact O-CB 3.38Å; V215-A219 PolarHBondContact O-N 3.24Å |
| 216 | F | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 51.9 Ų | 51.9 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 177.8 | -159.9 | -83.5 | 0 | 0 | 0 | 111 | F103 W104 I107 I212 E213 E214 V218 A219 S220 | F103-F216 AromaticContact CE1-CE2 3.93Å; F103-F216 HydrophobicContact CE1-CE2 3.93Å; F103-F216 HydrophobicContact CE1-CZ 4.17Å; F103-F216 HydrophobicContact CZ-CD2 4.32Å; F103-F216 HydrophobicContact CZ-CE1 4.27Å; F103-F216 AromaticContact CZ-CE2 3.78Å; F103-F216 HydrophobicContact CZ-CE2 3.78Å; F103-F216 AromaticContact CZ-CZ 3.76Å; F103-F216 HydrophobicContact CZ-CZ 3.76Å; W104-F216 HydrophobicContact CZ3-CE2 4.36Å; I107-F216 HydrophobicContact CD1-CB 4.28Å; I107-F216 HydrophobicContact CD1-CD2 3.99Å; I107-F216 HydrophobicContact CD1-CG 4.41Å; I107-F216 HydrophobicContact CG1-CD2 4.11Å; I107-F216 HydrophobicContact CG2-CD2 4.34Å; I212-F216 WeakPolarHBondContact O-CB 3.47Å; I212-F216 PolarHBondContact O-N 3.03Å; E213-F216 WeakPolarHBondContact O-CB 3.43Å; E213-F216 PolarHBondContact O-N 2.82Å; E214-F216 VanDerWaalsContact C-N 3.35Å; F216-V218 PolarHBondContact O-N 3.36Å; F216-A219 PolarHBondContact O-N 3.03Å; F216-S220 WeakPolarHBondContact CD1-OG 3.39Å; F216-S220 VanDerWaalsContact CE1-OG 3.29Å; F216-S220 WeakPolarHBondContact CE1-OG 3.27Å; F216-S220 WeakPolarHBondContact O-CB 3.36Å; F216-S220 PolarHBondContact O-N 2.89Å; F216-S220 PolarHBondContact O-OG 3.41Å; F216-S220 VanDerWaalsContact O-OG 3.13Å |
| 217 | R | 98.8 | Very high | 98.5 | Very high | 153 Ų | 153 | 48 Ų | 48 | 58% | 0.577 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -55.7 | -49.5 | 174.2 | -178 | -175.7 | -59.8 | -79.8 | -5.3 | 112 | E213 E214 V215 V221 | E213-R217 PolarHBondContact O-N 3.23Å; E213-R217 IonicContact OE1-NH2 3.81Å; E214-R217 WeakPolarHBondContact O-CB 3.41Å; E214-R217 PolarHBondContact O-N 3.39Å; V215-R217 VanDerWaalsContact C-N 3.31Å; V215-R217 PolarHBondContact O-N 2.87Å; R217-V221 WeakPolarHBondContact O-CB 3.34Å; R217-V221 WeakPolarHBondContact O-CG2 3.39Å; R217-V221 PolarHBondContact O-N 3.4Å |
| 218 | V | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 179.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | M176 I179 L180 E214 V215 F216 S220 V221 C222 | M176-V218 HydrophobicContact CG-CG1 4.39Å; I179-V218 HydrophobicContact CG2-CG1 4.1Å; I179-V218 HydrophobicContact CG2-CG2 4.22Å; L180-V218 HydrophobicContact CD2-CB 3.81Å; L180-V218 HydrophobicContact CD2-CG1 3.7Å; L180-V218 HydrophobicContact CD2-CG2 4.41Å; L180-V218 HydrophobicContact CG-CG1 3.98Å; E214-V218 WeakPolarHBondContact O-CG2 3.25Å; E214-V218 PolarHBondContact O-N 3.45Å; E214-V218 VanDerWaalsContact O-N 3.08Å; V215-V218 PolarHBondContact O-N 2.99Å; F216-V218 PolarHBondContact O-N 3.36Å; V218-S220 PolarHBondContact O-N 3.22Å; V218-V221 PolarHBondContact O-N 3.04Å; V218-C222 WeakPolarHBondContact O-CB 3.41Å; V218-C222 PolarHBondContact O-N 2.83Å; V218-C222 PolarHBondContact O-SG 3.31Å |
| 219 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | F103 I107 V215 F216 V221 C222 L223 | F103-A219 HydrophobicContact CD2-CB 4.35Å; F103-A219 HydrophobicContact CE2-CB 4Å; I107-A219 HydrophobicContact CD1-CB 3.58Å; V215-A219 WeakPolarHBondContact O-CB 3.38Å; V215-A219 PolarHBondContact O-N 3.24Å; F216-A219 PolarHBondContact O-N 3.03Å; A219-V221 PolarHBondContact O-N 2.87Å; A219-C222 PolarHBondContact O-N 3.37Å; A219-L223 VanDerWaalsContact O-CB 3.28Å; A219-L223 WeakPolarHBondContact O-CB 3.37Å; A219-L223 WeakPolarHBondContact O-CG 3.36Å; A219-L223 PolarHBondContact O-N 2.98Å |
| 220 | S | 98.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 178.1 | -66 | 0 | 0 | 0 | 0 | 112.9 | F216 V218 C222 G224 | F216-S220 WeakPolarHBondContact CD1-OG 3.39Å; F216-S220 VanDerWaalsContact CE1-OG 3.29Å; F216-S220 WeakPolarHBondContact CE1-OG 3.27Å; F216-S220 WeakPolarHBondContact O-CB 3.36Å; F216-S220 PolarHBondContact O-N 2.89Å; F216-S220 PolarHBondContact O-OG 3.41Å; F216-S220 VanDerWaalsContact O-OG 3.13Å; V218-S220 PolarHBondContact O-N 3.22Å; S220-C222 VanDerWaalsContact C-N 3.33Å; S220-G224 CarbonylContact O-C 3.38Å; S220-G224 WeakPolarHBondContact O-CA 3.39Å; S220-G224 PolarHBondContact O-N 2.9Å |
| 221 | V | 98.8 | Very high | 98.3 | Very high | 120 Ų | 120 | 55 Ų | 55 | 73% | 0.727 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 173.6 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | R217 V218 A219 | R217-V221 WeakPolarHBondContact O-CB 3.34Å; R217-V221 WeakPolarHBondContact O-CG2 3.39Å; R217-V221 PolarHBondContact O-N 3.4Å; V218-V221 PolarHBondContact O-N 3.04Å; A219-V221 PolarHBondContact O-N 2.87Å |
| 222 | C | 98.8 | Very high | 98.3 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82 | -33.2 | -175.7 | -77.6 | 0 | 0 | 0 | 0 | 114.4 | S167 S169 M176 V218 A219 S220 | S167-C222 PolarHBondContact OG-O 3.23Å; S169-C222 WeakPolarHBondContact CB-O 3.46Å; S169-C222 WeakPolarHBondContact OG-CB 3.4Å; S169-C222 PolarHBondContact OG-O 3.45Å; S169-C222 VanDerWaalsContact OG-O 3.12Å; M176-C222 HydrophobicContact CB-CB 4.34Å; M176-C222 HydrophobicContact CG-CB 3.89Å; M176-C222 HydrophobicContact SD-CB 3.54Å; M176-C222 VanDerWaalsContact SD-CB 3.54Å; V218-C222 WeakPolarHBondContact O-CB 3.41Å; V218-C222 PolarHBondContact O-N 2.83Å; V218-C222 PolarHBondContact O-SG 3.31Å; A219-C222 PolarHBondContact O-N 3.37Å; S220-C222 VanDerWaalsContact C-N 3.33Å |
| 223 | L | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -119.3 | -13.7 | -168.2 | -56.5 | 176.9 | 0 | 0 | 0 | 113.5 | F102 F103 F164 M176 A219 | F102-L223 HydrophobicContact CD1-CD1 4.06Å; F102-L223 HydrophobicContact CD1-CD2 4.11Å; F102-L223 HydrophobicContact CE1-CD1 4.31Å; F102-L223 HydrophobicContact CE1-CD2 4.11Å; F103-L223 HydrophobicContact CB-CD1 4.12Å; F103-L223 HydrophobicContact CD2-CB 4.07Å; F103-L223 HydrophobicContact CD2-CD1 4.02Å; F164-L223 VanDerWaalsContact CZ-O 3.27Å; F164-L223 WeakPolarHBondContact CZ-O 3.23Å; M176-L223 HydrophobicContact CE-CD1 4.33Å; M176-L223 HydrophobicContact CE-CD2 4.46Å; M176-L223 HydrophobicContact SD-CD1 4.01Å; M176-L223 HydrophobicContact SD-CD2 4.09Å; M176-L223 HydrophobicContact SD-CG 3.9Å; A219-L223 VanDerWaalsContact O-CB 3.28Å; A219-L223 WeakPolarHBondContact O-CB 3.37Å; A219-L223 WeakPolarHBondContact O-CG 3.36Å; A219-L223 PolarHBondContact O-N 2.98Å |
| 224 | G | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 54 Ų | 54 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | trans | 86.5 | 176.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F103 S220 | F103-G224 WeakPolarHBondContact CE2-O 3.14Å; S220-G224 CarbonylContact O-C 3.38Å; S220-G224 WeakPolarHBondContact O-CA 3.39Å; S220-G224 PolarHBondContact O-N 2.9Å | ||
| 225 | S | 97.1 | Very high | 98.2 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -99.7 | 125.2 | 178.8 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | F164 | F164-S225 WeakPolarHBondContact CE2-O 3.47Š|
| 226 | P | 97.1 | Very high | 98.1 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 142 | 174.8 | -22.6 | 31.6 | 0 | 0 | 0 | 111.7 | Y100 F103 W104 F164 | Y100-P226 HydrophobicContact CD2-CB 3.97Å; Y100-P226 HydrophobicContact CE2-CB 3.76Å; F103-P226 HydrophobicContact CB-CG 4.34Å; F103-P226 HydrophobicContact CD1-CG 3.23Å; F103-P226 HydrophobicContact CD2-CG 4.09Å; F103-P226 HydrophobicContact CE1-CG 3.41Å; F103-P226 VanDerWaalsContact CE1-CG 3.41Å; F103-P226 HydrophobicContact CE2-CG 4.23Å; F103-P226 HydrophobicContact CG-CG 3.62Å; F103-P226 HydrophobicContact CZ-CG 3.92Å; W104-P226 HydrophobicContact CZ2-CB 4.15Å; W104-P226 HydrophobicContact CZ2-CG 4.1Å; F164-P226 HydrophobicContact CZ-CG 4.48Å |
| 227 | P | 97.4 | Very high | 98.1 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 139.4 | -179.1 | 30.2 | -34.6 | 0 | 0 | 0 | 111.9 | I159 T229 I230 | I159-P227 HydrophobicContact CD1-CG 3.99Å; P227-T229 VanDerWaalsContact C-N 3.33Å; P227-I230 HydrophobicContact CB-CG2 4.23Å; P227-I230 HydrophobicContact CG-CG2 3.68Å |
| 228 | D | 97.1 | Very high | 98 | Very high | 145 Ų | 145 | 57.4 Ų | 57.4 | 78% | 0.775 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -66.8 | -38.2 | 171.5 | -64.2 | -36.5 | 0 | 0 | 0 | 111.7 | T248 P249 | D228-T248 WeakPolarHBondContact O-CA 3.05Å; D228-P249 WeakPolarHBondContact O-CD 3.48Å |
| 229 | T | 98.4 | Very high | 98 | Very high | 83 Ų | 83 | 63.6 Ų | 63.6 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -137.7 | 149.3 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | P227 L247 T248 | P227-T229 VanDerWaalsContact C-N 3.33Å; T229-L247 CarbonylContact C-O 3.54Å; T229-L247 VanDerWaalsContact CA-O 3.25Å; T229-L247 WeakPolarHBondContact CA-O 2.98Å; T229-T248 HydrophobicContact CG2-CG2 4.23Å |
| 230 | I | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147 | 176.7 | 60.9 | 163.7 | 0 | 0 | 0 | 110.6 | I159 P160 C163 P227 P246 L247 F252 | I159-I230 HydrophobicContact CB-CD1 4.17Å; I159-I230 HydrophobicContact CB-CG2 4.47Å; I159-I230 HydrophobicContact CG2-CD1 3.91Å; I159-I230 HydrophobicContact CG2-CG2 4.06Å; P160-I230 HydrophobicContact CG-CD1 4.47Å; C163-I230 HydrophobicContact CB-CB 4.28Å; C163-I230 HydrophobicContact CB-CG2 3.78Å; P227-I230 HydrophobicContact CB-CG2 4.23Å; P227-I230 HydrophobicContact CG-CG2 3.68Å; I230-P246 WeakPolarHBondContact O-CA 3.36Å; I230-L247 WeakPolarHBondContact CG1-O 3.21Å; I230-L247 PolarHBondContact N-O 2.93Å; I230-L247 PolarHBondContact O-N 3.46Å; I230-F252 HydrophobicContact CD1-CB 4.18Å; I230-F252 HydrophobicContact CD1-CD2 3.81Å; I230-F252 HydrophobicContact CD1-CE2 4.4Å; I230-F252 HydrophobicContact CD1-CG 4Å |
| 231 | C | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 100.7 | 164.6 | -167 | 0 | 0 | 0 | 0 | 107.4 | R243 | C231-R243 VanDerWaalsContact SG-CD 3.54Å; C231-R243 VanDerWaalsContact SG-CG 3.56Å |
| 232 | W | 98.2 | Very high | 97.9 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 5% | 0.045 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.9 | -174.9 | 178.9 | 48.6 | 0 | 0 | 0 | 110.6 | F85 L91 F94 P160 Y234 R243 M244 F252 | F85-W232 HydrophobicContact CE1-CH2 4.12Å; F85-W232 AromaticContact CE1-CZ3 3.95Å; F85-W232 HydrophobicContact CE1-CZ3 3.95Å; F85-W232 AromaticContact CZ-CZ3 3.92Å; F85-W232 HydrophobicContact CZ-CZ3 3.92Å; L91-W232 HydrophobicContact CD1-CH2 3.69Å; L91-W232 HydrophobicContact CD2-CH2 4.06Å; F94-W232 AromaticContact CD2-CH2 3.62Å; F94-W232 HydrophobicContact CD2-CH2 3.62Å; F94-W232 AromaticContact CD2-CZ2 3.6Å; F94-W232 HydrophobicContact CD2-CZ2 3.6Å; F94-W232 AromaticContact CE2-CH2 3.51Å; F94-W232 HydrophobicContact CE2-CH2 3.51Å; F94-W232 AromaticContact CE2-CZ2 3.58Å; F94-W232 HydrophobicContact CE2-CZ2 3.58Å; F94-W232 HydrophobicContact CE2-CZ3 4.03Å; P160-W232 HydrophobicContact CB-CD2 3.97Å; P160-W232 HydrophobicContact CB-CG 3.92Å; P160-W232 HydrophobicContact CG-CB 3.98Å; P160-W232 HydrophobicContact CG-CD2 3.53Å; P160-W232 HydrophobicContact CG-CE3 3.83Å; P160-W232 HydrophobicContact CG-CG 3.58Å; W232-Y234 AromaticContact CD2-CD1 3.81Å; W232-Y234 HydrophobicContact CD2-CD1 3.81Å; W232-Y234 HydrophobicContact CD2-CE1 4.47Å; W232-Y234 AromaticContact CE2-CD1 3.84Å; W232-Y234 AromaticContact CE3-CD1 3.58Å; W232-Y234 HydrophobicContact CE3-CD1 3.58Å; W232-Y234 AromaticContact CE3-CE1 3.79Å; W232-Y234 HydrophobicContact CE3-CE1 3.79Å; W232-Y234 AromaticContact CH2-CD1 3.42Å; W232-Y234 HydrophobicContact CH2-CD1 3.42Å; W232-Y234 VanDerWaalsContact CH2-CD1 3.42Å; W232-Y234 HydrophobicContact CH2-CD2 4.3Å; W232-Y234 AromaticContact CH2-CE1 3.77Å; W232-Y234 HydrophobicContact CH2-CE1 3.77Å; W232-Y234 AromaticContact CH2-CG 3.7Å; W232-Y234 HydrophobicContact CH2-CG 3.7Å; W232-Y234 AromaticContact CZ2-CD1 3.67Å; W232-Y234 HydrophobicContact CZ2-CD1 3.67Å; W232-Y234 HydrophobicContact CZ2-CE1 4.47Å; W232-Y234 AromaticContact CZ2-CG 3.73Å; W232-Y234 HydrophobicContact CZ2-CG 3.73Å; W232-Y234 AromaticContact CZ3-CD1 3.38Å; W232-Y234 HydrophobicContact CZ3-CD1 3.38Å; W232-Y234 AromaticContact CZ3-CE1 3.4Å; W232-Y234 HydrophobicContact CZ3-CE1 3.4Å; W232-Y234 HydrophobicContact CZ3-CG 4.15Å; W232-R243 CarbonylContact O-C 3.48Å; W232-R243 WeakPolarHBondContact O-CA 3.42Å; W232-M244 HydrophobicContact CE3-CB 4.48Å; W232-M244 HydrophobicContact CE3-SD 4.5Å; W232-M244 PolarHBondContact N-O 2.92Å; W232-M244 PolarHBondContact O-N 3.13Å; W232-F252 HydrophobicContact CE3-CE2 4.34Å |
| 233 | E | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 75.2 Ų | 75.2 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137.8 | 175.9 | -62.3 | -176.7 | 163.5 | 0 | 0 | 110.3 | F241 H242 R243 | E233-F241 HydrophobicContact CB-CE2 3.91Å; E233-F241 HydrophobicContact CB-CZ 4.26Å; E233-F241 HydrophobicContact CG-CE2 4.05Å; E233-F241 HydrophobicContact CG-CZ 3.91Å; E233-H242 WeakPolarHBondContact CA-O 3.34Å; E233-R243 HydrophobicContact CG-CB 4.34Å; E233-R243 HydrophobicContact CG-CG 4.1Å; E233-R243 IonicContact OE1-CZ 3.61Å; E233-R243 IonicContact OE1-NE 2.87Å; E233-R243 PolarHBondContact OE1-NE 3.28Å; E233-R243 IonicContact OE1-NH2 2.77Å; E233-R243 PolarHBondContact OE1-NH2 3.01Å |
| 234 | Y | 97.9 | Very high | 97.7 | Very high | 26 Ų | 26 | 75.5 Ų | 75.5 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 164.5 | 178 | 67.1 | -86.8 | 0 | 0 | 0 | 111.3 | H89 L91 W232 H242 | H89-Y234 PolarHBondContact ND1-OH 2.89Å; L91-Y234 HydrophobicContact CD2-CD2 3.27Å; L91-Y234 HydrophobicContact CD2-CE2 3.38Å; L91-Y234 HydrophobicContact CD2-CG 4.07Å; W232-Y234 AromaticContact CD2-CD1 3.81Å; W232-Y234 HydrophobicContact CD2-CD1 3.81Å; W232-Y234 HydrophobicContact CD2-CE1 4.47Å; W232-Y234 AromaticContact CE2-CD1 3.84Å; W232-Y234 AromaticContact CE3-CD1 3.58Å; W232-Y234 HydrophobicContact CE3-CD1 3.58Å; W232-Y234 AromaticContact CE3-CE1 3.79Å; W232-Y234 HydrophobicContact CE3-CE1 3.79Å; W232-Y234 AromaticContact CH2-CD1 3.42Å; W232-Y234 HydrophobicContact CH2-CD1 3.42Å; W232-Y234 VanDerWaalsContact CH2-CD1 3.42Å; W232-Y234 HydrophobicContact CH2-CD2 4.3Å; W232-Y234 AromaticContact CH2-CE1 3.77Å; W232-Y234 HydrophobicContact CH2-CE1 3.77Å; W232-Y234 AromaticContact CH2-CG 3.7Å; W232-Y234 HydrophobicContact CH2-CG 3.7Å; W232-Y234 AromaticContact CZ2-CD1 3.67Å; W232-Y234 HydrophobicContact CZ2-CD1 3.67Å; W232-Y234 HydrophobicContact CZ2-CE1 4.47Å; W232-Y234 AromaticContact CZ2-CG 3.73Å; W232-Y234 HydrophobicContact CZ2-CG 3.73Å; W232-Y234 AromaticContact CZ3-CD1 3.38Å; W232-Y234 HydrophobicContact CZ3-CD1 3.38Å; W232-Y234 AromaticContact CZ3-CE1 3.4Å; W232-Y234 HydrophobicContact CZ3-CE1 3.4Å; W232-Y234 HydrophobicContact CZ3-CG 4.15Å; Y234-H242 HydrophobicContact CD1-CB 3.98Å; Y234-H242 HydrophobicContact CD2-CB 4.1Å; Y234-H242 HydrophobicContact CE1-CB 3.55Å; Y234-H242 HydrophobicContact CE2-CB 3.66Å; Y234-H242 AromaticContact CE2-CD2 3.66Å; Y234-H242 AromaticContact CE2-CG 3.77Å; Y234-H242 HydrophobicContact CG-CB 4.25Å; Y234-H242 AromaticContact CZ-CG 3.76Å; Y234-H242 PolarHBondContact N-O 3.47Å; Y234-H242 PolarHBondContact O-N 3.32Å |
| 235 | R | 98.1 | Very high | 97.6 | Very high | 165 Ų | 165 | 75.5 Ų | 75.5 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.6 | 163.7 | -69.6 | -174.4 | -179.1 | -87.5 | -2.2 | 109 | K239 N240 | R235-K239 PolarHBondContact NH1-O 3.33Å; R235-N240 WeakPolarHBondContact CA-O 3.44Å |
| 236 | D | 97.6 | Very high | 97.6 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 10% | 0.102 | 38% | 0.382 | C | S | . | . | trans | -77 | 179.5 | 172.6 | 64.6 | 14.6 | 0 | 0 | 0 | 111.1 | N90 D238 K239 N240 H242 | N90-D236 HydrophobicContact CB-CB 4.22Å; N90-D236 WeakPolarHBondContact O-CA 3.39Å; N90-D236 WeakPolarHBondContact O-CB 3.42Å; D236-D238 PolarHBondContact O-N 3.43Å; D236-D238 VanDerWaalsContact OD1-C 3.29Å; D236-D238 WeakPolarHBondContact OD1-CA 3.47Å; D236-D238 WeakPolarHBondContact OD1-CB 3.32Å; D236-D238 PolarHBondContact OD1-N 3.5Å; D236-K239 WeakPolarHBondContact O-CA 3.44Å; D236-K239 PolarHBondContact O-N 3.26Å; D236-K239 PolarHBondContact OD1-N 3.1Å; D236-N240 PolarHBondContact N-O 2.94Å; D236-N240 PolarHBondContact OD1-N 3.03Å; D236-H242 IonicContact OD2-CD2 3.73Å; D236-H242 IonicContact OD2-CE1 3.37Å; D236-H242 IonicContact OD2-NE2 2.83Å; D236-H242 PolarHBondContact OD2-NE2 3.46Å | ||
| 237 | K | 96.9 | Very high | 97.6 | Very high | 106 Ų | 106 | 76.4 Ų | 76.4 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.6 | 176.2 | -70.7 | 179.3 | -167 | 170.4 | 0 | 113.6 | N90 L91 E92 K239 | N90-K237 WeakPolarHBondContact O-CG 3.15Å; N90-K237 PolarHBondContact O-N 2.65Å; N90-K237 WeakPolarHBondContact OD1-CD 3.05Å; L91-K237 VanDerWaalsContact C-CE 3.43Å; L91-K237 WeakPolarHBondContact O-CE 3.16Å; E92-K237 HydrophobicContact CB-CG 4.08Å; K237-K239 PolarHBondContact O-N 2.94Å |
| 238 | D | 98.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 77 Ų | 77 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.8 | 177.6 | -56.9 | -45.5 | 0 | 0 | 0 | 112.4 | N90 D236 N240 | N90-D238 PolarHBondContact ND2-OD2 3.23Å; D236-D238 PolarHBondContact O-N 3.43Å; D236-D238 VanDerWaalsContact OD1-C 3.29Å; D236-D238 WeakPolarHBondContact OD1-CA 3.47Å; D236-D238 WeakPolarHBondContact OD1-CB 3.32Å; D236-D238 PolarHBondContact OD1-N 3.5Å; D238-N240 WeakPolarHBondContact CB-ND2 3.47Å; D238-N240 PolarHBondContact O-N 3.48Å |
| 239 | K | 97.4 | Very high | 97.7 | Very high | 161 Ų | 161 | 70.6 Ų | 70.6 | 70% | 0.7 | 35% | 0.35 | S | S | * | . | trans | 67 | 13 | -178.6 | -51 | 177.3 | 179.9 | 177 | 0 | 113.9 | R235 D236 K237 | R235-K239 PolarHBondContact NH1-O 3.33Å; D236-K239 WeakPolarHBondContact O-CA 3.44Å; D236-K239 PolarHBondContact O-N 3.26Å; D236-K239 PolarHBondContact OD1-N 3.1Å; K237-K239 PolarHBondContact O-N 2.94Å | ||
| 240 | N | 98.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 70 Ų | 70 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | trans | -73.1 | 140.2 | 175.2 | -61.3 | -52.1 | 0 | 0 | 0 | 110.3 | R235 D236 D238 H242 | R235-N240 WeakPolarHBondContact CA-O 3.44Å; D236-N240 PolarHBondContact N-O 2.94Å; D236-N240 PolarHBondContact OD1-N 3.03Å; D238-N240 WeakPolarHBondContact CB-ND2 3.47Å; D238-N240 PolarHBondContact O-N 3.48Å; N240-H242 PolarHBondContact O-CD2 3.35Å; N240-H242 VanDerWaalsContact O-CD2 3.26Å | ||
| 241 | F | 98.2 | Very high | 97.8 | Very high | 105 Ų | 105 | 73.5 Ų | 73.5 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 132.6 | 176.1 | 172.3 | -93.3 | 0 | 0 | 0 | 110.4 | E233 R243 | E233-F241 HydrophobicContact CB-CE2 3.91Å; E233-F241 HydrophobicContact CB-CZ 4.26Å; E233-F241 HydrophobicContact CG-CE2 4.05Å; E233-F241 HydrophobicContact CG-CZ 3.91Å; F241-R243 HydrophobicContact CE1-CB 4.06Å; F241-R243 HydrophobicContact CZ-CB 4.17Å |
| 242 | H | 98.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.5 | 174.6 | -63.6 | -88 | 0 | 0 | 0 | 109.9 | E233 Y234 D236 N240 | E233-H242 WeakPolarHBondContact CA-O 3.34Å; Y234-H242 HydrophobicContact CD1-CB 3.98Å; Y234-H242 HydrophobicContact CD2-CB 4.1Å; Y234-H242 HydrophobicContact CE1-CB 3.55Å; Y234-H242 HydrophobicContact CE2-CB 3.66Å; Y234-H242 AromaticContact CE2-CD2 3.66Å; Y234-H242 AromaticContact CE2-CG 3.77Å; Y234-H242 HydrophobicContact CG-CB 4.25Å; Y234-H242 AromaticContact CZ-CG 3.76Å; Y234-H242 PolarHBondContact N-O 3.47Å; Y234-H242 PolarHBondContact O-N 3.32Å; D236-H242 IonicContact OD2-CD2 3.73Å; D236-H242 IonicContact OD2-CE1 3.37Å; D236-H242 IonicContact OD2-NE2 2.83Å; D236-H242 PolarHBondContact OD2-NE2 3.46Å; N240-H242 PolarHBondContact O-CD2 3.35Å; N240-H242 VanDerWaalsContact O-CD2 3.26Å |
| 243 | R | 97.7 | Very high | 97.8 | Very high | 155 Ų | 155 | 69.8 Ų | 69.8 | 59% | 0.585 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.8 | 172.7 | -179.4 | -175.7 | -76.8 | 177.7 | -0.5 | 108.9 | C231 W232 E233 F241 | C231-R243 VanDerWaalsContact SG-CD 3.54Å; C231-R243 VanDerWaalsContact SG-CG 3.56Å; W232-R243 CarbonylContact O-C 3.48Å; W232-R243 WeakPolarHBondContact O-CA 3.42Å; E233-R243 HydrophobicContact CG-CB 4.34Å; E233-R243 HydrophobicContact CG-CG 4.1Å; E233-R243 IonicContact OE1-CZ 3.61Å; E233-R243 IonicContact OE1-NE 2.87Å; E233-R243 PolarHBondContact OE1-NE 3.28Å; E233-R243 IonicContact OE1-NH2 2.77Å; E233-R243 PolarHBondContact OE1-NH2 3.01Å; F241-R243 HydrophobicContact CE1-CB 4.06Å; F241-R243 HydrophobicContact CZ-CB 4.17Å |
| 244 | M | 96.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 72 Ų | 72 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 105.3 | 177.1 | -169.8 | -178.2 | -72 | 0 | 0 | 108.6 | H89 W232 L247 F252 H256 | H89-M244 WeakPolarHBondContact CE1-CE 3.34Å; W232-M244 HydrophobicContact CE3-CB 4.48Å; W232-M244 HydrophobicContact CE3-SD 4.5Å; W232-M244 PolarHBondContact N-O 2.92Å; W232-M244 PolarHBondContact O-N 3.13Å; M244-L247 HydrophobicContact CG-CD1 3.75Å; M244-L247 HydrophobicContact SD-CD1 4.44Å; M244-F252 HydrophobicContact CG-CD2 4.43Å; M244-F252 HydrophobicContact SD-CD2 3.48Å; M244-F252 WeakPolarHBondContact SD-CD2 3.34Å; M244-F252 HydrophobicContact SD-CE2 3.31Å; M244-F252 WeakPolarHBondContact SD-CE2 3.41Å; M244-F252 HydrophobicContact SD-CZ 4.45Å; M244-H256 HydrophobicContact CE-CB 4.4Å; M244-H256 HydrophobicContact SD-CB 4.26Å; M244-H256 PolarHBondContact SD-CD2 3.07Å |
| 245 | G | 94.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.6 | 168.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 246 | P | 97.3 | Very high | 97.9 | Very high | 105 Ų | 105 | 70.2 Ų | 70.2 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -73.1 | 131.5 | 3.8 | 29.8 | -34.7 | 0 | 0 | 0 | 112.7 | I230 | I230-P246 WeakPolarHBondContact O-CA 3.36Å |
| 247 | L | 97.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 69.3 Ų | 69.3 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 144.6 | 175.8 | -66.8 | 173.5 | 0 | 0 | 0 | 109.6 | T229 I230 M244 Q251 F252 | T229-L247 CarbonylContact C-O 3.54Å; T229-L247 VanDerWaalsContact CA-O 3.25Å; T229-L247 WeakPolarHBondContact CA-O 2.98Å; I230-L247 WeakPolarHBondContact CG1-O 3.21Å; I230-L247 PolarHBondContact N-O 2.93Å; I230-L247 PolarHBondContact O-N 3.46Å; M244-L247 HydrophobicContact CG-CD1 3.75Å; M244-L247 HydrophobicContact SD-CD1 4.44Å; L247-Q251 HydrophobicContact CB-CB 4.29Å; L247-Q251 HydrophobicContact CD2-CB 4.09Å; L247-F252 HydrophobicContact CD1-CB 4.37Å; L247-F252 HydrophobicContact CD1-CD2 4.46Å |
| 248 | T | 98.7 | Very high | 98 | Very high | 48 Ų | 48 | 66.5 Ų | 66.5 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | trans | -69.2 | 156 | 162.8 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | D228 T229 Q250 Q251 F252 | D228-T248 WeakPolarHBondContact O-CA 3.05Å; T229-T248 HydrophobicContact CG2-CG2 4.23Å; T248-Q250 PolarHBondContact O-N 2.92Å; T248-Q251 PolarHBondContact O-N 2.89Å; T248-Q251 VanDerWaalsContact O-N 3.1Å; T248-Q251 WeakPolarHBondContact OG1-CB 2.93Å; T248-Q251 VanDerWaalsContact OG1-CG 3.26Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.36Å; T248-Q251 PolarHBondContact OG1-N 3.24Å; T248-Q251 VanDerWaalsContact OG1-N 3.16Å; T248-Q251 PolarHBondContact OG1-OE1 3.49Å; T248-F252 PolarHBondContact O-N 2.88Å | ||
| 249 | P | 98.7 | Very high | 98 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51.8 | -38.1 | 171.8 | -31.6 | 38.1 | 0 | 0 | 0 | 114.3 | Y100 Y156 I159 D228 Y253 | Y100-P249 HydrophobicContact CE1-CB 4.32Å; Y100-P249 HydrophobicContact CE2-CB 4.39Å; Y100-P249 HydrophobicContact CE2-CG 4.14Å; Y100-P249 WeakPolarHBondContact OH-CB 3.49Å; Y100-P249 WeakPolarHBondContact OH-CG 3Å; Y156-P249 WeakPolarHBondContact O-CB 3.09Å; I159-P249 HydrophobicContact CG2-CB 3.58Å; I159-P249 HydrophobicContact CG2-CG 3.68Å; D228-P249 WeakPolarHBondContact O-CD 3.48Å; P249-Y253 PolarHBondContact O-N 3.2Å |
| 250 | Q | 98.4 | Very high | 98 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 175.8 | -77.3 | -172.2 | 23.4 | 0 | 0 | 112.4 | K155 T248 Y253 R254 | K155-Q250 PolarHBondContact O-NE2 2.76Å; T248-Q250 PolarHBondContact O-N 2.92Å; Q250-Y253 PolarHBondContact O-N 3.38Å; Q250-R254 WeakPolarHBondContact O-CB 3.16Å; Q250-R254 WeakPolarHBondContact O-CG 3.43Å; Q250-R254 PolarHBondContact O-N 3.12Å |
| 251 | Q | 98.7 | Very high | 98 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 176.4 | -76.4 | 166.5 | -47.5 | 0 | 0 | 110.7 | L247 T248 Y253 R254 E255 | L247-Q251 HydrophobicContact CB-CB 4.29Å; L247-Q251 HydrophobicContact CD2-CB 4.09Å; T248-Q251 PolarHBondContact O-N 2.89Å; T248-Q251 VanDerWaalsContact O-N 3.1Å; T248-Q251 WeakPolarHBondContact OG1-CB 2.93Å; T248-Q251 VanDerWaalsContact OG1-CG 3.26Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.36Å; T248-Q251 PolarHBondContact OG1-N 3.24Å; T248-Q251 VanDerWaalsContact OG1-N 3.16Å; T248-Q251 PolarHBondContact OG1-OE1 3.49Å; Q251-Y253 VanDerWaalsContact C-N 3.3Å; Q251-Y253 PolarHBondContact O-N 2.72Å; Q251-R254 PolarHBondContact O-N 2.66Å; Q251-E255 VanDerWaalsContact O-CB 3.27Å; Q251-E255 WeakPolarHBondContact O-CB 3.37Å; Q251-E255 WeakPolarHBondContact O-CG 3.2Å; Q251-E255 PolarHBondContact O-N 2.87Å |
| 252 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 176.2 | 177.7 | -85.5 | 0 | 0 | 0 | 111.8 | F85 F96 V158 P160 I230 W232 M244 L247 T248 H256 V257 | F85-F252 HydrophobicContact CE1-CZ 4.44Å; F85-F252 HydrophobicContact CE2-CE2 4.49Å; F85-F252 AromaticContact CE2-CZ 3.91Å; F85-F252 HydrophobicContact CE2-CZ 3.91Å; F85-F252 HydrophobicContact CZ-CE2 4.12Å; F85-F252 AromaticContact CZ-CZ 3.61Å; F85-F252 HydrophobicContact CZ-CZ 3.61Å; F96-F252 HydrophobicContact CD1-CE1 4.25Å; F96-F252 AromaticContact CE1-CE1 3.69Å; F96-F252 HydrophobicContact CE1-CE1 3.69Å; F96-F252 HydrophobicContact CE1-CZ 4.1Å; V158-F252 HydrophobicContact CG2-CD1 4.22Å; V158-F252 HydrophobicContact CG2-CE1 4.15Å; V158-F252 WeakPolarHBondContact O-CD1 3.09Å; P160-F252 HydrophobicContact CG-CE2 3.9Å; P160-F252 HydrophobicContact CG-CZ 3.77Å; I230-F252 HydrophobicContact CD1-CB 4.18Å; I230-F252 HydrophobicContact CD1-CD2 3.81Å; I230-F252 HydrophobicContact CD1-CE2 4.4Å; I230-F252 HydrophobicContact CD1-CG 4Å; W232-F252 HydrophobicContact CE3-CE2 4.34Å; M244-F252 HydrophobicContact CG-CD2 4.43Å; M244-F252 HydrophobicContact SD-CD2 3.48Å; M244-F252 WeakPolarHBondContact SD-CD2 3.34Å; M244-F252 HydrophobicContact SD-CE2 3.31Å; M244-F252 WeakPolarHBondContact SD-CE2 3.41Å; M244-F252 HydrophobicContact SD-CZ 4.45Å; L247-F252 HydrophobicContact CD1-CB 4.37Å; L247-F252 HydrophobicContact CD1-CD2 4.46Å; T248-F252 PolarHBondContact O-N 2.88Å; F252-H256 WeakPolarHBondContact O-CB 3.16Å; F252-H256 PolarHBondContact O-N 2.92Å; F252-H256 VanDerWaalsContact O-N 3.07Å; F252-V257 HydrophobicContact CD1-CG2 4.17Å; F252-V257 HydrophobicContact CE1-CG2 3.78Å |
| 253 | Y | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -62.3 | -54.6 | 174.3 | 170.9 | -116.3 | 0 | 0 | 0 | 112.4 | I153 E154 V158 P249 Q250 Q251 E255 V257 K258 | I153-Y253 HydrophobicContact CG2-CD1 4.23Å; I153-Y253 HydrophobicContact CG2-CD2 3.74Å; I153-Y253 HydrophobicContact CG2-CE1 3.94Å; I153-Y253 HydrophobicContact CG2-CE2 3.45Å; I153-Y253 VanDerWaalsContact CG2-CE2 3.45Å; I153-Y253 HydrophobicContact CG2-CG 4.15Å; E154-Y253 PolarHBondContact OE1-OH 3.31Å; V158-Y253 HydrophobicContact CG2-CD2 4.19Å; P249-Y253 PolarHBondContact O-N 3.2Å; Q250-Y253 PolarHBondContact O-N 3.38Å; Q251-Y253 VanDerWaalsContact C-N 3.3Å; Q251-Y253 PolarHBondContact O-N 2.72Å; Y253-E255 VanDerWaalsContact C-N 3.35Å; Y253-E255 PolarHBondContact O-N 2.78Å; Y253-V257 HydrophobicContact CD2-CB 3.8Å; Y253-V257 HydrophobicContact CD2-CG1 3.97Å; Y253-V257 HydrophobicContact CE2-CB 4.35Å; Y253-V257 HydrophobicContact CE2-CG1 4.18Å; Y253-V257 CarbonylContact O-C 3.37Å; Y253-V257 WeakPolarHBondContact O-CA 3.49Å; Y253-V257 PolarHBondContact O-N 3.09Å; Y253-K258 HydrophobicContact CD2-CB 4.39Å; Y253-K258 HydrophobicContact CE1-CB 4.08Å; Y253-K258 HydrophobicContact CE1-CD 3.75Å; Y253-K258 HydrophobicContact CE1-CG 4.26Å; Y253-K258 HydrophobicContact CE2-CB 3.88Å; Y253-K258 HydrophobicContact CE2-CG 4.49Å; Y253-K258 WeakPolarHBondContact O-CB 3.5Å; Y253-K258 PolarHBondContact O-N 3.21Å |
| 254 | R | 98.4 | Very high | 98 | Very high | 136 Ų | 136 | 47 Ų | 47 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -64.5 | -36.9 | -173.5 | -72 | 178.7 | -176.1 | 170.2 | 7 | 113.2 | Q250 Q251 P259 | Q250-R254 WeakPolarHBondContact O-CB 3.16Å; Q250-R254 WeakPolarHBondContact O-CG 3.43Å; Q250-R254 PolarHBondContact O-N 3.12Å; Q251-R254 PolarHBondContact O-N 2.66Å; R254-P259 WeakPolarHBondContact O-CD 3.19Å |
| 255 | E | 98.3 | Very high | 98.1 | Very high | 102 Ų | 102 | 48.5 Ų | 48.5 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -90.8 | -32.8 | -173.3 | -63.4 | 173.8 | -152.1 | 0 | 0 | 112.7 | Q251 Y253 | Q251-E255 VanDerWaalsContact O-CB 3.27Å; Q251-E255 WeakPolarHBondContact O-CB 3.37Å; Q251-E255 WeakPolarHBondContact O-CG 3.2Å; Q251-E255 PolarHBondContact O-N 2.87Å; Y253-E255 VanDerWaalsContact C-N 3.35Å; Y253-E255 PolarHBondContact O-N 2.78Å |
| 256 | H | 98.3 | Very high | 98.3 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 23% | 0.231 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -119.1 | -18.9 | -170.4 | -56.9 | -61.7 | 0 | 0 | 0 | 115.3 | F85 M244 F252 L260 | F85-H256 HydrophobicContact CE2-CB 4.06Å; M244-H256 HydrophobicContact CE-CB 4.4Å; M244-H256 HydrophobicContact SD-CB 4.26Å; M244-H256 PolarHBondContact SD-CD2 3.07Å; F252-H256 WeakPolarHBondContact O-CB 3.16Å; F252-H256 PolarHBondContact O-N 2.92Å; F252-H256 VanDerWaalsContact O-N 3.07Å; H256-L260 VanDerWaalsContact O-CD1 3.3Å; H256-L260 WeakPolarHBondContact O-CD1 3.32Å |
| 257 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -112.4 | -54.4 | -176.9 | -177 | 0 | 0 | 0 | 0 | 111.7 | L81 F85 F96 V158 F252 Y253 P259 L260 Y261 | L81-V257 HydrophobicContact CD2-CG1 4.25Å; F85-V257 HydrophobicContact CD2-CG2 3.93Å; F85-V257 HydrophobicContact CE2-CG2 4.09Å; F96-V257 HydrophobicContact CE1-CG2 3.94Å; F96-V257 HydrophobicContact CZ-CG1 4.24Å; F96-V257 HydrophobicContact CZ-CG2 3.84Å; V158-V257 HydrophobicContact CG2-CB 4.39Å; V158-V257 HydrophobicContact CG2-CG1 4.35Å; V158-V257 HydrophobicContact CG2-CG2 3.87Å; F252-V257 HydrophobicContact CD1-CG2 4.17Å; F252-V257 HydrophobicContact CE1-CG2 3.78Å; Y253-V257 HydrophobicContact CD2-CB 3.8Å; Y253-V257 HydrophobicContact CD2-CG1 3.97Å; Y253-V257 HydrophobicContact CE2-CB 4.35Å; Y253-V257 HydrophobicContact CE2-CG1 4.18Å; Y253-V257 CarbonylContact O-C 3.37Å; Y253-V257 WeakPolarHBondContact O-CA 3.49Å; Y253-V257 PolarHBondContact O-N 3.09Å; V257-P259 VanDerWaalsContact C-N 3.32Å; V257-L260 WeakPolarHBondContact O-CA 3.45Å; V257-L260 WeakPolarHBondContact O-CB 3.44Å; V257-L260 PolarHBondContact O-N 3.47Å; V257-Y261 PolarHBondContact O-N 3.09Å |
| 258 | K | 98.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.7 | -177.8 | -170.1 | 167.9 | -176 | 141.9 | 0 | 114 | E154 Y253 L260 Y261 N262 | E154-K258 IonicContact OE1-NZ 2.68Å; E154-K258 PolarHBondContact OE1-NZ 2.76Å; E154-K258 IonicContact OE2-NZ 2.75Å; E154-K258 PolarHBondContact OE2-NZ 2.93Å; Y253-K258 HydrophobicContact CD2-CB 4.39Å; Y253-K258 HydrophobicContact CE1-CB 4.08Å; Y253-K258 HydrophobicContact CE1-CD 3.75Å; Y253-K258 HydrophobicContact CE1-CG 4.26Å; Y253-K258 HydrophobicContact CE2-CB 3.88Å; Y253-K258 HydrophobicContact CE2-CG 4.49Å; Y253-K258 WeakPolarHBondContact O-CB 3.5Å; Y253-K258 PolarHBondContact O-N 3.21Å; K258-L260 PolarHBondContact O-N 2.93Å; K258-Y261 CarbonylContact O-C 3.59Å; K258-N262 VanDerWaalsContact CE-OD1 3.29Å; K258-N262 WeakPolarHBondContact CE-OD1 3.23Å; K258-N262 HydrophobicContact CG-CB 4.23Å; K258-N262 PolarHBondContact O-N 3.46Å |
| 259 | P | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 40.1 Ų | 40.1 | 60% | 0.604 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.2 | 176.4 | -22.2 | 35.7 | 0 | 0 | 0 | 114.2 | R254 V257 | R254-P259 WeakPolarHBondContact O-CD 3.19Å; V257-P259 VanDerWaalsContact C-N 3.32Å |
| 260 | L | 97.9 | Very high | 98.4 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -35.6 | 179.3 | -52.6 | 178.5 | 0 | 0 | 0 | 111.8 | P84 F85 K88 H256 V257 K258 | P84-L260 HydrophobicContact CB-CB 4.17Å; P84-L260 HydrophobicContact CG-CB 4.48Å; F85-L260 HydrophobicContact CB-CD1 4.45Å; F85-L260 HydrophobicContact CD2-CD1 4.32Å; K88-L260 HydrophobicContact CB-CD1 3.59Å; K88-L260 HydrophobicContact CB-CD2 4.18Å; K88-L260 HydrophobicContact CD-CD2 4.23Å; K88-L260 HydrophobicContact CG-CD1 3.83Å; K88-L260 HydrophobicContact CG-CD2 4.03Å; H256-L260 VanDerWaalsContact O-CD1 3.3Å; H256-L260 WeakPolarHBondContact O-CD1 3.32Å; V257-L260 WeakPolarHBondContact O-CA 3.45Å; V257-L260 WeakPolarHBondContact O-CB 3.44Å; V257-L260 PolarHBondContact O-N 3.47Å; K258-L260 PolarHBondContact O-N 2.93Å |
| 261 | Y | 97.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | trans | -147.8 | 98.3 | 178.6 | -168.5 | -83.9 | 0 | 0 | 0 | 109.1 | V80 L81 W146 V257 K258 K266 E319 | V80-Y261 HydrophobicContact CG1-CD2 4.24Å; V80-Y261 HydrophobicContact CG1-CE2 3.4Å; L81-Y261 HydrophobicContact CD1-CD1 3.44Å; L81-Y261 VanDerWaalsContact CD1-CD1 3.44Å; L81-Y261 HydrophobicContact CD1-CE1 3.32Å; L81-Y261 HydrophobicContact CD1-CG 4.29Å; L81-Y261 HydrophobicContact CG-CD1 3.68Å; L81-Y261 HydrophobicContact CG-CE1 4.12Å; L81-Y261 HydrophobicContact CG-CG 4.27Å; W146-Y261 HydrophobicContact CH2-CE1 4.32Å; V257-Y261 PolarHBondContact O-N 3.09Å; K258-Y261 CarbonylContact O-C 3.59Å; Y261-K266 HydrophobicContact CE1-CD 4.37Å; Y261-K266 HydrophobicContact CE1-CG 4.04Å; Y261-K266 HydrophobicContact CE2-CD 4.36Å; Y261-K266 VanDerWaalsContact CE2-CE 3.42Å; Y261-E319 HydrophobicContact CE2-CG 4.15Å | ||
| 262 | N | 98.2 | Very high | 98.4 | Very high | 32 Ų | 32 | 33 Ų | 33 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | trans | -86.2 | 113.3 | 175.4 | -178.4 | 12.9 | 0 | 0 | 0 | 109.8 | K258 Q264 D265 K266 | K258-N262 VanDerWaalsContact CE-OD1 3.29Å; K258-N262 WeakPolarHBondContact CE-OD1 3.23Å; K258-N262 HydrophobicContact CG-CB 4.23Å; K258-N262 PolarHBondContact O-N 3.46Å; N262-Q264 PolarHBondContact O-N 3.42Å; N262-Q264 WeakPolarHBondContact OD1-CB 3.2Å; N262-Q264 PolarHBondContact OD1-N 2.85Å; N262-Q264 VanDerWaalsContact OD1-N 3.13Å; N262-D265 HydrophobicContact CB-CB 4.37Å; N262-D265 VanDerWaalsContact CB-OD2 3.29Å; N262-D265 WeakPolarHBondContact CB-OD2 3.43Å; N262-D265 VanDerWaalsContact ND2-CG 3.28Å; N262-D265 PolarHBondContact ND2-OD2 3.29Å; N262-D265 PolarHBondContact O-N 2.98Å; N262-D265 VanDerWaalsContact O-N 3.16Å; N262-K266 WeakPolarHBondContact O-CE 3.36Å | ||
| 263 | I | 97.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -65.7 | -24.3 | -178 | -156.2 | 174.1 | 0 | 0 | 0 | 112.2 | W146 L149 V150 I153 E154 D265 K266 | W146-I263 HydrophobicContact CH2-CD1 4.12Å; W146-I263 HydrophobicContact CH2-CG1 3.77Å; W146-I263 HydrophobicContact CZ2-CD1 3.95Å; W146-I263 HydrophobicContact CZ2-CG1 3.28Å; L149-I263 HydrophobicContact CB-CD1 4.18Å; V150-I263 HydrophobicContact CG1-CG2 4.23Å; V150-I263 HydrophobicContact CG2-CD1 4.11Å; V150-I263 HydrophobicContact CG2-CG1 4Å; V150-I263 HydrophobicContact CG2-CG2 4.39Å; I153-I263 HydrophobicContact CB-CD1 4.34Å; I153-I263 HydrophobicContact CD1-CD1 3.51Å; I153-I263 HydrophobicContact CG1-CD1 4.46Å; I153-I263 HydrophobicContact CG2-CG2 4.34Å; E154-I263 HydrophobicContact CG-CG2 4.32Å; I263-D265 VanDerWaalsContact C-N 3.31Å; I263-D265 PolarHBondContact O-N 3.2Å; I263-K266 PolarHBondContact O-N 3.23Å |
| 264 | Q | 97.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 35 Ų | 35 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -76.1 | -16.8 | 178.6 | -62.4 | 179.9 | -48.6 | 0 | 0 | 113.7 | V150 E154 N262 K266 | V150-Q264 HydrophobicContact CG1-CG 4.38Å; E154-Q264 VanDerWaalsContact CD-CD 3.49Å; E154-Q264 HydrophobicContact CG-CG 4.1Å; E154-Q264 VanDerWaalsContact OE1-CD 3.3Å; E154-Q264 VanDerWaalsContact OE1-CG 3.27Å; E154-Q264 WeakPolarHBondContact OE1-CG 3.36Å; N262-Q264 PolarHBondContact O-N 3.42Å; N262-Q264 WeakPolarHBondContact OD1-CB 3.2Å; N262-Q264 PolarHBondContact OD1-N 2.85Å; N262-Q264 VanDerWaalsContact OD1-N 3.13Å; Q264-K266 VanDerWaalsContact C-N 3.25Å |
| 265 | D | 98.2 | Very high | 98.4 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -84.6 | -3.2 | 176.3 | -70.8 | -37.8 | 0 | 0 | 0 | 112.6 | N262 I263 K424 | N262-D265 HydrophobicContact CB-CB 4.37Å; N262-D265 VanDerWaalsContact CB-OD2 3.29Å; N262-D265 WeakPolarHBondContact CB-OD2 3.43Å; N262-D265 VanDerWaalsContact ND2-CG 3.28Å; N262-D265 PolarHBondContact ND2-OD2 3.29Å; N262-D265 PolarHBondContact O-N 2.98Å; N262-D265 VanDerWaalsContact O-N 3.16Å; I263-D265 VanDerWaalsContact C-N 3.31Å; I263-D265 PolarHBondContact O-N 3.2Å; D265-K424 HydrophobicContact CB-CD 4.4Å; D265-K424 WeakPolarHBondContact O-CB 3.37Å; D265-K424 PolarHBondContact O-N 3.11Å; D265-K424 WeakPolarHBondContact OD1-CE 3.42Å; D265-K424 IonicContact OD1-NZ 3.28Å; D265-K424 PolarHBondContact OD1-NZ 3.41Å |
| 266 | K | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.8 | -177.1 | -46.1 | -55.1 | 173.1 | 177.6 | 0 | 110.8 | W146 Y261 N262 I263 Q264 E319 V421 V422 D423 | W146-K266 HydrophobicContact CH2-CB 4.49Å; W146-K266 HydrophobicContact CH2-CG 4.41Å; W146-K266 HydrophobicContact CZ2-CB 3.54Å; W146-K266 HydrophobicContact CZ2-CG 3.75Å; Y261-K266 HydrophobicContact CE1-CD 4.37Å; Y261-K266 HydrophobicContact CE1-CG 4.04Å; Y261-K266 HydrophobicContact CE2-CD 4.36Å; Y261-K266 VanDerWaalsContact CE2-CE 3.42Å; N262-K266 WeakPolarHBondContact O-CE 3.36Å; I263-K266 PolarHBondContact O-N 3.23Å; Q264-K266 VanDerWaalsContact C-N 3.25Å; K266-E319 IonicContact NZ-OE1 2.76Å; K266-E319 PolarHBondContact NZ-OE1 3.16Å; K266-E319 IonicContact NZ-OE2 3.21Å; K266-E319 PolarHBondContact NZ-OE2 2.78Å; K266-V421 HydrophobicContact CB-CG1 3.66Å; K266-V422 CarbonylContact C-O 3.59Å; K266-V422 WeakPolarHBondContact CA-O 3.33Å; K266-D423 HydrophobicContact CD-CB 4.09Å; K266-D423 IonicContact NZ-OD2 2.81Å; K266-D423 PolarHBondContact NZ-OD2 3.07Å |
| 267 | V | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.4 | -177.3 | 179.4 | 0 | 0 | 0 | 0 | 109 | L269 V421 V422 K424 L427 L432 M435 | V267-L269 HydrophobicContact CG1-CD2 4.11Å; V267-V421 WeakPolarHBondContact O-CA 3.37Å; V267-V422 PolarHBondContact N-O 2.8Å; V267-V422 PolarHBondContact O-N 3.5Å; V267-K424 HydrophobicContact CG2-CB 3.94Å; V267-L427 HydrophobicContact CB-CD1 3.57Å; V267-L427 HydrophobicContact CG1-CD1 3.65Å; V267-L427 HydrophobicContact CG2-CD1 3.99Å; V267-L432 HydrophobicContact CG2-CD2 3.99Å; V267-M435 HydrophobicContact CG1-CG 4.17Å; V267-M435 HydrophobicContact CG1-SD 4.02Å |
| 268 | C | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 111.6 | 174.6 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | W146 N300 E419 V421 | W146-C268 HydrophobicContact CB-CB 4.47Å; C268-N300 WeakPolarHBondContact O-CB 3.5Å; C268-N300 PolarHBondContact O-N 3.32Å; C268-E419 VanDerWaalsContact SG-CD 3.57Å; C268-E419 VanDerWaalsContact SG-CG 3.59Å; C268-E419 PolarHBondContact SG-OE1 3.44Å; C268-V421 HydrophobicContact CB-CG2 4.24Å |
| 269 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.7 | 170.2 | -59.7 | -173.4 | 0 | 0 | 0 | 109.7 | V267 N300 Q302 L306 L307 A310 E419 V420 L427 V431 | V267-L269 HydrophobicContact CG1-CD2 4.11Å; L269-N300 WeakPolarHBondContact CA-O 3.36Å; L269-N300 HydrophobicContact CD2-CB 3.87Å; L269-Q302 HydrophobicContact CD2-CG 4.17Å; L269-L306 HydrophobicContact CD1-CD2 4.14Å; L269-L307 HydrophobicContact CB-CD1 4.19Å; L269-L307 HydrophobicContact CB-CG 3.95Å; L269-L307 HydrophobicContact CD1-CG 4.46Å; L269-A310 HydrophobicContact CD1-CB 4.44Å; L269-E419 CarbonylContact O-C 3.57Å; L269-E419 VanDerWaalsContact O-CA 3.27Å; L269-E419 WeakPolarHBondContact O-CA 3.33Å; L269-V420 HydrophobicContact CB-CG2 4.03Å; L269-V420 HydrophobicContact CD1-CG2 4.47Å; L269-V420 PolarHBondContact N-O 3.41Å; L269-V420 PolarHBondContact O-N 3.22Å; L269-L427 HydrophobicContact CD1-CD2 3.68Å; L269-L427 HydrophobicContact CD2-CD1 4.13Å; L269-L427 HydrophobicContact CG-CD1 4.44Å; L269-L427 HydrophobicContact CG-CD2 4.44Å; L269-V431 HydrophobicContact CD2-CG1 3.86Å |
| 270 | V | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 157.3 | 171.2 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | Y299 N300 N301 Q302 Y418 E419 M448 | V270-Y299 HydrophobicContact CG1-CD1 3.56Å; V270-Y299 HydrophobicContact CG1-CD2 4.47Å; V270-Y299 HydrophobicContact CG1-CE1 4.26Å; V270-Y299 HydrophobicContact CG1-CG 3.69Å; V270-Y299 HydrophobicContact CG2-CG 4.42Å; V270-N300 PolarHBondContact N-O 2.98Å; V270-N301 HydrophobicContact CG2-CB 3.95Å; V270-N301 WeakPolarHBondContact O-CA 3.39Å; V270-N301 PolarHBondContact O-OD1 3.45Å; V270-Q302 PolarHBondContact O-N 3.3Å; V270-Y418 CarbonylContact C-O 3.58Å; V270-Y418 WeakPolarHBondContact CA-O 3.48Å; V270-Y418 WeakPolarHBondContact CB-O 3.46Å; V270-E419 HydrophobicContact CG1-CB 4.22Å; V270-E419 HydrophobicContact CG1-CG 3.99Å; V270-M448 HydrophobicContact CB-CE 3.74Å; V270-M448 HydrophobicContact CG1-CE 4.02Å; V270-M448 HydrophobicContact CG2-CE 4.14Å |
| 271 | N | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -118.7 | 96.5 | 164.4 | 178.5 | -112.5 | 0 | 0 | 0 | 109.7 | P273 Y279 Q302 I304 L307 K358 Y418 | N271-P273 WeakPolarHBondContact O-CD 3.41Å; N271-Y279 WeakPolarHBondContact ND2-CE1 3.3Å; N271-Y279 PolarHBondContact ND2-OH 2.8Å; N271-Y279 VanDerWaalsContact ND2-OH 3.08Å; N271-Q302 PolarHBondContact ND2-O 2.85Å; N271-I304 HydrophobicContact CB-CB 4.37Å; N271-I304 HydrophobicContact CB-CD1 3.78Å; N271-I304 PolarHBondContact ND2-N 2.87Å; N271-L307 HydrophobicContact CB-CD1 4.39Å; N271-L307 HydrophobicContact CB-CD2 3.9Å; N271-K358 PolarHBondContact OD1-NZ 3.02Å; N271-Y418 PolarHBondContact N-O 2.84Å | ||
| 272 | D | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -106.8 | 99.7 | 170.2 | -178.3 | -0.4 | 0 | 0 | 0 | 109.2 | R274 N277 N301 M448 | D272-R274 VanDerWaalsContact CG-NE 3.32Å; D272-R274 PolarHBondContact O-N 3.32Å; D272-R274 VanDerWaalsContact OD1-CB 3.23Å; D272-R274 WeakPolarHBondContact OD1-CB 3.37Å; D272-R274 WeakPolarHBondContact OD1-CG 3.36Å; D272-R274 IonicContact OD1-CZ 3.23Å; D272-R274 PolarHBondContact OD1-N 2.91Å; D272-R274 VanDerWaalsContact OD1-N 3.08Å; D272-R274 IonicContact OD1-NE 2.8Å; D272-R274 PolarHBondContact OD1-NE 3.03Å; D272-R274 IonicContact OD1-NH2 2.72Å; D272-R274 IonicContact OD2-CZ 3.03Å; D272-R274 IonicContact OD2-NE 2.86Å; D272-R274 PolarHBondContact OD2-NE 3.12Å; D272-R274 IonicContact OD2-NH2 3.04Å; D272-R274 PolarHBondContact OD2-NH2 2.7Å; D272-N277 PolarHBondContact OD2-ND2 3.38Å; D272-N301 PolarHBondContact N-OD1 3.21Å; D272-N301 PolarHBondContact O-ND2 3.21Å; D272-N301 PolarHBondContact O-OD1 3.21Å; D272-M448 HydrophobicContact CB-CE 4.19Å; D272-M448 HydrophobicContact CB-CG 4.25Å; D272-M448 HydrophobicContact CB-SD 4.05Å | ||
| 273 | P | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 22% | 0.221 | 19% | 0.191 | C | C | . | . | trans | -82.2 | 7.4 | -177.7 | 34.7 | -38.3 | 0 | 0 | 0 | 113.4 | N271 K358 A359 L362 | N271-P273 WeakPolarHBondContact O-CD 3.41Å; P273-K358 HydrophobicContact CG-CB 3.93Å; P273-K358 HydrophobicContact CG-CD 4.01Å; P273-K358 HydrophobicContact CG-CG 3.79Å; P273-A359 HydrophobicContact CB-CB 4.28Å; P273-A359 HydrophobicContact CG-CB 4.05Å; P273-A359 WeakPolarHBondContact O-CB 3.44Å; P273-L362 HydrophobicContact CG-CD1 4.36Å | ||
| 274 | R | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -61.3 | 130.2 | 179.1 | -69.8 | 179.5 | -66.8 | 172.7 | -1.5 | 109.8 | D272 Q276 N277 L362 I363 D446 M448 | D272-R274 VanDerWaalsContact CG-NE 3.32Å; D272-R274 PolarHBondContact O-N 3.32Å; D272-R274 VanDerWaalsContact OD1-CB 3.23Å; D272-R274 WeakPolarHBondContact OD1-CB 3.37Å; D272-R274 WeakPolarHBondContact OD1-CG 3.36Å; D272-R274 IonicContact OD1-CZ 3.23Å; D272-R274 PolarHBondContact OD1-N 2.91Å; D272-R274 VanDerWaalsContact OD1-N 3.08Å; D272-R274 IonicContact OD1-NE 2.8Å; D272-R274 PolarHBondContact OD1-NE 3.03Å; D272-R274 IonicContact OD1-NH2 2.72Å; D272-R274 IonicContact OD2-CZ 3.03Å; D272-R274 IonicContact OD2-NE 2.86Å; D272-R274 PolarHBondContact OD2-NE 3.12Å; D272-R274 IonicContact OD2-NH2 3.04Å; D272-R274 PolarHBondContact OD2-NH2 2.7Å; R274-Q276 PolarHBondContact O-N 3.19Å; R274-N277 PolarHBondContact NE-ND2 3.44Å; R274-N277 PolarHBondContact NH2-ND2 3.26Å; R274-N277 PolarHBondContact O-N 3.32Å; R274-L362 HydrophobicContact CG-CB 4.16Å; R274-L362 HydrophobicContact CG-CD1 4.2Å; R274-I363 HydrophobicContact CG-CD1 4.2Å; R274-I363 HydrophobicContact CG-CG1 3.9Å; R274-D446 IonicContact CZ-OD1 3.92Å; R274-D446 IonicContact CZ-OD2 3.8Å; R274-D446 IonicContact NH1-OD1 2.67Å; R274-D446 PolarHBondContact NH1-OD1 2.89Å; R274-D446 IonicContact NH1-OD2 3.24Å; R274-D446 PolarHBondContact NH1-OD2 2.86Å; R274-D446 IonicContact NH2-OD1 3.5Å; R274-D446 PolarHBondContact NH2-OD1 3.48Å; R274-D446 IonicContact NH2-OD2 2.65Å; R274-D446 PolarHBondContact NH2-OD2 3.23Å; R274-M448 VanDerWaalsContact NH2-CG 3.34Å | ||
| 275 | P | 97.9 | Very high | 98.5 | Very high | 111 Ų | 111 | 31.9 Ų | 31.9 | 72% | 0.721 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.8 | -171.3 | -28.5 | 35.2 | 0 | 0 | 0 | 115.3 | N277 | P275-N277 VanDerWaalsContact C-N 3.25Å; P275-N277 PolarHBondContact O-N 3.05Å |
| 276 | Q | 97.3 | Very high | 98.5 | Very high | 113 Ų | 113 | 31.8 Ų | 31.8 | 53% | 0.528 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.3 | 178.1 | 69.8 | -85.5 | 21.9 | 0 | 0 | 114.2 | R274 P278 | R274-Q276 PolarHBondContact O-N 3.19Å; Q276-P278 WeakPolarHBondContact O-CD 3.34Å |
| 277 | N | 98.1 | Very high | 98.5 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -113.2 | 79.4 | -176.8 | -66.1 | -17.3 | 0 | 0 | 0 | 109.7 | D272 R274 P275 Y283 N301 | D272-N277 PolarHBondContact OD2-ND2 3.38Å; R274-N277 PolarHBondContact NE-ND2 3.44Å; R274-N277 PolarHBondContact NH2-ND2 3.26Å; R274-N277 PolarHBondContact O-N 3.32Å; P275-N277 VanDerWaalsContact C-N 3.25Å; P275-N277 PolarHBondContact O-N 3.05Å; N277-Y283 WeakPolarHBondContact CA-OH 3.41Å; N277-Y283 HydrophobicContact CB-CE1 3.98Å; N277-N301 PolarHBondContact O-ND2 2.78Å |
| 278 | P | 98.2 | Very high | 98.5 | Very high | 71 Ų | 71 | 33.4 Ų | 33.4 | 46% | 0.461 | 18% | 0.178 | S | C | . | . | trans | -58.9 | 148.9 | 179.3 | 25 | -35.1 | 0 | 0 | 0 | 112.2 | Q276 K281 Y283 | Q276-P278 WeakPolarHBondContact O-CD 3.34Å; P278-K281 HydrophobicContact CG-CG 3.99Å; P278-Y283 WeakPolarHBondContact CD-OH 3.48Å; P278-Y283 VanDerWaalsContact N-OH 3.1Å; P278-Y283 PolarHBondContact O-OH 3.33Å | ||
| 279 | Y | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 33.7 Ų | 33.7 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -65.7 | 161.8 | 169.6 | -58.2 | -45 | 0 | 0 | 0 | 111.7 | N271 K281 N301 Q302 P303 | N271-Y279 WeakPolarHBondContact ND2-CE1 3.3Å; N271-Y279 PolarHBondContact ND2-OH 2.8Å; N271-Y279 VanDerWaalsContact ND2-OH 3.08Å; Y279-K281 VanDerWaalsContact C-N 3.26Å; Y279-K281 PolarHBondContact O-N 3.02Å; Y279-N301 CarbonylContact C-O 3.47Å; Y279-N301 WeakPolarHBondContact CA-O 3.33Å; Y279-Q302 WeakPolarHBondContact CE1-O 3.46Å; Y279-P303 HydrophobicContact CD2-CB 4.24Å; Y279-P303 HydrophobicContact CD2-CG 3.66Å; Y279-P303 HydrophobicContact CE2-CB 4.13Å; Y279-P303 HydrophobicContact CE2-CG 4.07Å; Y279-P303 HydrophobicContact CG-CG 4.04Å |
| 280 | G | 98.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 27% | 0.268 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 72 | 21 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N301 Q437 | G280-N301 PolarHBondContact N-O 3.1Å; G280-Q437 PolarHBondContact O-NE2 3.19Å; G280-Q437 VanDerWaalsContact O-NE2 3.09Å |
| 281 | K | 98.8 | Very high | 98.4 | Very high | 95 Ų | 95 | 34.4 Ų | 34.4 | 41% | 0.413 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.4 | 178.4 | -67.1 | -58.1 | -175.7 | -176.4 | 0 | 111.3 | P278 Y279 Y283 N301 V434 | P278-K281 HydrophobicContact CG-CG 3.99Å; Y279-K281 VanDerWaalsContact C-N 3.26Å; Y279-K281 PolarHBondContact O-N 3.02Å; K281-Y283 HydrophobicContact CB-CD2 4.41Å; K281-Y283 HydrophobicContact CB-CE2 3.52Å; K281-Y283 WeakPolarHBondContact O-CD2 3.32Å; K281-Y283 WeakPolarHBondContact O-CE2 3.32Å; K281-N301 PolarHBondContact O-N 2.85Å; K281-N301 VanDerWaalsContact O-N 3.07Å; K281-V434 VanDerWaalsContact C-CG1 3.41Å |
| 282 | L | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133 | 175.5 | -164.3 | 67.4 | 0 | 0 | 0 | 109.9 | L298 Y299 V434 M435 Q437 A439 V440 | L282-L298 HydrophobicContact CD1-CB 4.2Å; L282-L298 HydrophobicContact CD2-CD1 4.37Å; L282-L298 HydrophobicContact CD2-CD2 4.14Å; L282-L298 HydrophobicContact CG-CD2 4.33Å; L282-Y299 WeakPolarHBondContact CA-O 3.4Å; L282-V434 HydrophobicContact CB-CG1 4.05Å; L282-V434 HydrophobicContact CD1-CG1 4.49Å; L282-M435 HydrophobicContact CD1-CE 4.32Å; L282-M435 HydrophobicContact CD1-SD 3.71Å; L282-Q437 HydrophobicContact CB-CB 4.14Å; L282-Q437 VanDerWaalsContact CD2-O 3.28Å; L282-Q437 WeakPolarHBondContact CD2-O 3.18Å; L282-A439 HydrophobicContact CB-CB 4.42Å; L282-A439 HydrophobicContact CD2-CB 4.03Å; L282-A439 HydrophobicContact CG-CB 3.99Å; L282-A439 CarbonylContact O-C 3.59Å; L282-A439 WeakPolarHBondContact O-CA 3.4Å; L282-V440 PolarHBondContact O-N 2.92Å |
| 283 | Y | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 155.8 | 177.4 | -59.5 | -96.1 | 0 | 0 | 0 | 110.6 | N277 P278 K281 L298 Y299 N301 V440 L442 | N277-Y283 WeakPolarHBondContact CA-OH 3.41Å; N277-Y283 HydrophobicContact CB-CE1 3.98Å; P278-Y283 WeakPolarHBondContact CD-OH 3.48Å; P278-Y283 VanDerWaalsContact N-OH 3.1Å; P278-Y283 PolarHBondContact O-OH 3.33Å; K281-Y283 HydrophobicContact CB-CD2 4.41Å; K281-Y283 HydrophobicContact CB-CE2 3.52Å; K281-Y283 WeakPolarHBondContact O-CD2 3.32Å; K281-Y283 WeakPolarHBondContact O-CE2 3.32Å; Y283-L298 WeakPolarHBondContact O-CA 3.3Å; Y283-Y299 PolarHBondContact N-O 3.49Å; Y283-Y299 PolarHBondContact O-N 2.99Å; Y283-N301 HydrophobicContact CD2-CB 3.8Å; Y283-N301 HydrophobicContact CE2-CB 3.51Å; Y283-V440 CarbonylContact C-O 3.5Å; Y283-V440 WeakPolarHBondContact CA-O 3.29Å; Y283-V440 HydrophobicContact CD1-CB 3.73Å; Y283-V440 HydrophobicContact CD1-CG1 4.08Å; Y283-V440 HydrophobicContact CE1-CB 3.96Å; Y283-V440 HydrophobicContact CE1-CG1 4.15Å; Y283-V440 HydrophobicContact CE1-CG2 4.36Å; Y283-L442 HydrophobicContact CD1-CD1 4.2Å; Y283-L442 HydrophobicContact CD1-CD2 3.99Å; Y283-L442 HydrophobicContact CD1-CG 4.14Å |
| 284 | S | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 160 | 167.3 | -166.9 | 0 | 0 | 0 | 0 | 108.2 | T297 V440 V441 L442 | S284-T297 WeakPolarHBondContact CA-O 3.42Å; S284-T297 VanDerWaalsContact CB-O 3.32Å; S284-T297 WeakPolarHBondContact CB-O 3.2Å; S284-T297 PolarHBondContact OG-O 3.46Å; S284-V440 PolarHBondContact N-O 3.17Å; S284-V441 CarbonylContact O-C 3.59Å; S284-V441 WeakPolarHBondContact O-CA 3.35Å; S284-L442 PolarHBondContact O-N 2.74Å |
| 285 | V | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | F287 L288 Y299 L442 P443 D446 | V285-F287 PolarHBondContact O-N 3.39Å; V285-L288 HydrophobicContact CB-CB 3.66Å; V285-L288 HydrophobicContact CB-CD2 3.64Å; V285-L288 HydrophobicContact CB-CG 4.32Å; V285-L288 HydrophobicContact CG1-CB 3.87Å; V285-L288 HydrophobicContact CG1-CD2 4.17Å; V285-L288 HydrophobicContact CG2-CD2 3.93Å; V285-L288 WeakPolarHBondContact O-CB 3.37Å; V285-L288 PolarHBondContact O-N 2.95Å; V285-L288 VanDerWaalsContact O-N 3.16Å; V285-Y299 HydrophobicContact CG2-CD2 4.46Å; V285-Y299 HydrophobicContact CG2-CE2 3.89Å; V285-L442 HydrophobicContact CG2-CB 4.28Å; V285-L442 HydrophobicContact CG2-CD1 4.37Å; V285-P443 WeakPolarHBondContact CG1-O 3.43Å; V285-D446 HydrophobicContact CG1-CB 4.44Å |
| 286 | E | 98.5 | Very high | 98.1 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 133.9 | -179.7 | -159.4 | -169.9 | -166.3 | 0 | 0 | 110.8 | R123 L288 V441 L442 A444 | R123-E286 IonicContact CZ-OE1 2.96Å; R123-E286 VanDerWaalsContact CZ-OE1 3.28Å; R123-E286 IonicContact NH1-OE1 3.75Å; R123-E286 PolarHBondContact NH1-OE1 2.99Å; R123-E286 IonicContact NH2-OE1 2.7Å; R123-E286 PolarHBondContact NH2-OE1 3.46Å; E286-L288 PolarHBondContact O-N 3.25Å; E286-V441 HydrophobicContact CB-CG1 3.9Å; E286-V441 HydrophobicContact CG-CG1 4.32Å; E286-L442 WeakPolarHBondContact CB-O 3.41Å; E286-L442 PolarHBondContact N-O 3.5Å; E286-A444 HydrophobicContact CB-CB 4.3Å; E286-A444 WeakPolarHBondContact O-CA 3.39Å; E286-A444 WeakPolarHBondContact O-CB 3.36Å |
| 287 | F | 98.1 | Very high | 98.2 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 11% | 0.114 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 15 | -177 | -59.1 | -73.3 | 0 | 0 | 0 | 116.5 | Y112 A116 E119 T120 L131 L135 V285 G289 | Y112-F287 WeakPolarHBondContact CE1-O 3.4Å; Y112-F287 WeakPolarHBondContact OH-CA 3.29Å; A116-F287 HydrophobicContact CB-CD1 3.55Å; A116-F287 HydrophobicContact CB-CE1 3.74Å; E119-F287 HydrophobicContact CB-CE1 4.45Å; E119-F287 HydrophobicContact CG-CZ 4.43Å; E119-F287 VanDerWaalsContact OE1-CZ 3.28Å; E119-F287 WeakPolarHBondContact OE1-CZ 3.17Å; E119-F287 WeakPolarHBondContact OE2-CE1 3.47Å; T120-F287 HydrophobicContact CG2-CE1 4.41Å; T120-F287 HydrophobicContact CG2-CE2 3.99Å; T120-F287 HydrophobicContact CG2-CZ 3.72Å; L131-F287 HydrophobicContact CD1-CD2 3.9Å; L131-F287 HydrophobicContact CD1-CE2 4.15Å; L131-F287 HydrophobicContact CD2-CE2 3.94Å; L135-F287 HydrophobicContact CD1-CD2 4.41Å; L135-F287 HydrophobicContact CD1-CG 4.42Å; L135-F287 HydrophobicContact CD2-CB 3.75Å; L135-F287 HydrophobicContact CD2-CG 4.19Å; V285-F287 PolarHBondContact O-N 3.39Å; F287-G289 PolarHBondContact O-N 3.25Å |
| 288 | L | 98.1 | Very high | 98.2 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | trans | -87.7 | 79.1 | 171.6 | -173.1 | 67.2 | 0 | 0 | 0 | 110.7 | Q145 M148 V285 E286 T297 Y299 G449 | Q145-L288 HydrophobicContact CG-CD1 4.41Å; Q145-L288 HydrophobicContact CG-CD2 4.02Å; Q145-L288 HydrophobicContact CG-CG 4.34Å; M148-L288 HydrophobicContact CE-CD1 3.62Å; M148-L288 HydrophobicContact CE-CG 3.71Å; V285-L288 HydrophobicContact CB-CB 3.66Å; V285-L288 HydrophobicContact CB-CD2 3.64Å; V285-L288 HydrophobicContact CB-CG 4.32Å; V285-L288 HydrophobicContact CG1-CB 3.87Å; V285-L288 HydrophobicContact CG1-CD2 4.17Å; V285-L288 HydrophobicContact CG2-CD2 3.93Å; V285-L288 WeakPolarHBondContact O-CB 3.37Å; V285-L288 PolarHBondContact O-N 2.95Å; V285-L288 VanDerWaalsContact O-N 3.16Å; E286-L288 PolarHBondContact O-N 3.25Å; L288-T297 HydrophobicContact CD2-CG2 3.92Å; L288-T297 HydrophobicContact CG-CG2 4.5Å; L288-T297 PolarHBondContact O-OG1 3.5Å; L288-Y299 HydrophobicContact CD2-CE2 4.45Å; L288-Y299 WeakPolarHBondContact CD2-OH 3.41Å; L288-G449 VanDerWaalsContact CD1-O 3.29Å; L288-G449 WeakPolarHBondContact CD1-O 3.09Å; L288-G449 VanDerWaalsContact CD2-CA 3.44Å | ||
| 289 | G | 96.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | trans | -148.4 | 167.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y112 F287 | Y112-G289 WeakPolarHBondContact CD1-O 3.12Å; F287-G289 PolarHBondContact O-N 3.25Å | ||
| 290 | N | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -126.5 | 0.7 | 174.8 | 72.6 | -25.2 | 0 | 0 | 0 | 113.3 | D105 E108 R109 M148 N151 L152 | D105-N290 WeakPolarHBondContact OD1-CB 3.36Å; D105-N290 PolarHBondContact OD1-ND2 3.19Å; E108-N290 CarbonylContact C-O 3.5Å; E108-N290 WeakPolarHBondContact CB-O 3.49Å; R109-N290 HydrophobicContact CB-CB 4.32Å; R109-N290 PolarHBondContact N-O 2.8Å; R109-N290 VanDerWaalsContact N-O 3.08Å; M148-N290 WeakPolarHBondContact CA-OD1 3.38Å; M148-N290 HydrophobicContact CB-CB 4.24Å; M148-N290 WeakPolarHBondContact CB-ND2 3.06Å; M148-N290 HydrophobicContact CG-CB 3.98Å; M148-N290 PolarHBondContact O-ND2 2.88Å; M148-N290 VanDerWaalsContact O-ND2 3.16Å; M148-N290 HydrophobicContact SD-CB 4.06Å; N151-N290 PolarHBondContact ND2-OD1 3.39Å; L152-N290 WeakPolarHBondContact CG-ND2 3.48Å |
| 291 | M | 98.7 | Very high | 98.3 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -148.8 | 126.7 | -174.4 | -173 | 178.2 | -67.4 | 0 | 0 | 110.7 | E108 N151 L152 K155 Y156 G293 G294 | E108-M291 HydrophobicContact CG-CE 4.03Å; N151-M291 HydrophobicContact CB-CB 4.24Å; N151-M291 HydrophobicContact CB-CE 3.9Å; N151-M291 HydrophobicContact CB-SD 4.02Å; N151-M291 WeakPolarHBondContact O-CE 3.36Å; L152-M291 HydrophobicContact CD2-CE 4.4Å; K155-M291 HydrophobicContact CB-CE 4.08Å; K155-M291 HydrophobicContact CD-CE 3.57Å; K155-M291 HydrophobicContact CD-SD 3.69Å; K155-M291 HydrophobicContact CG-CE 4.43Å; Y156-M291 HydrophobicContact CE2-CE 4.01Å; M291-G293 PolarHBondContact O-N 2.77Å; M291-G294 PolarHBondContact O-N 3.08Å; M291-G294 VanDerWaalsContact O-N 3.07Å |
| 292 | V | 98.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 29 Ų | 29 | 34% | 0.339 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 126.8 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | Y111 Y112 H115 G294 | Y111-V292 HydrophobicContact CD1-CB 4.05Å; Y111-V292 HydrophobicContact CD1-CG2 3.55Å; Y111-V292 HydrophobicContact CE1-CB 3.87Å; Y111-V292 HydrophobicContact CE1-CG1 4.48Å; Y111-V292 HydrophobicContact CE1-CG2 3.69Å; Y111-V292 HydrophobicContact CG-CG2 4.39Å; Y112-V292 HydrophobicContact CD2-CG2 4.34Å; H115-V292 HydrophobicContact CB-CG2 3.99Å; V292-G294 PolarHBondContact O-N 2.82Å |
| 293 | G | 97.7 | Very high | 98.2 | Very high | 85 Ų | 85 | 31.4 Ų | 31.4 | 88% | 0.876 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 6.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M291 | M291-G293 PolarHBondContact O-N 2.77Š|
| 294 | G | 97.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 26% | 0.258 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -72.8 | 178.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | M291 V292 R296 | M291-G294 PolarHBondContact O-N 3.08Å; M291-G294 VanDerWaalsContact O-N 3.07Å; V292-G294 PolarHBondContact O-N 2.82Å; G294-R296 PolarHBondContact O-N 3.39Å |
| 295 | R | 96.9 | Very high | 98.2 | Very high | 95 Ų | 95 | 35.9 Ų | 35.9 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 137.5 | 170.4 | -65.8 | 171.9 | 60 | 129.1 | -4.3 | 109.5 | D147 V150 N151 | D147-R295 HydrophobicContact CB-CB 4.47Å; D147-R295 IonicContact OD1-CZ 2.96Å; D147-R295 IonicContact OD1-NE 2.84Å; D147-R295 PolarHBondContact OD1-NE 3.36Å; D147-R295 VanDerWaalsContact OD1-NE 3.14Å; D147-R295 IonicContact OD1-NH2 3.14Å; D147-R295 PolarHBondContact OD1-NH2 3.35Å; V150-R295 VanDerWaalsContact CG1-CD 3.48Å; N151-R295 PolarHBondContact ND2-O 3.36Å; N151-R295 VanDerWaalsContact ND2-O 3.13Å; N151-R295 VanDerWaalsContact OD1-CB 3.29Å; N151-R295 WeakPolarHBondContact OD1-CB 3.42Å; N151-R295 PolarHBondContact OD1-N 3.07Å |
| 296 | R | 97.2 | Very high | 98.2 | Very high | 148 Ų | 148 | 37.6 Ų | 37.6 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -70.6 | 148.5 | 169.2 | -56.8 | -179.5 | 86.8 | -179.3 | 6.2 | 108.4 | G294 L298 | G294-R296 PolarHBondContact O-N 3.39Å; R296-L298 HydrophobicContact CB-CD2 4.38Å; R296-L298 PolarHBondContact O-N 3.26Å |
| 297 | T | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 118.7 | 169 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | Q145 S284 L288 Y299 | Q145-T297 HydrophobicContact CB-CG2 3.8Å; Q145-T297 HydrophobicContact CG-CG2 4.02Å; S284-T297 WeakPolarHBondContact CA-O 3.42Å; S284-T297 VanDerWaalsContact CB-O 3.32Å; S284-T297 WeakPolarHBondContact CB-O 3.2Å; S284-T297 PolarHBondContact OG-O 3.46Å; L288-T297 HydrophobicContact CD2-CG2 3.92Å; L288-T297 HydrophobicContact CG-CG2 4.5Å; L288-T297 PolarHBondContact O-OG1 3.5Å; T297-Y299 HydrophobicContact CG2-CD1 4.26Å; T297-Y299 HydrophobicContact CG2-CE1 3.51Å; T297-Y299 HydrophobicContact CG2-CE2 4.31Å |
| 298 | L | 98.5 | Very high | 98.3 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 18% | 0.178 | 20% | 0.195 | C | C | . | . | trans | -119.8 | 130.9 | -175.7 | -66.4 | 179.8 | 0 | 0 | 0 | 111.2 | D147 L282 Y283 R296 M435 A439 | D147-L298 PolarHBondContact OD2-N 2.97Å; L282-L298 HydrophobicContact CD1-CB 4.2Å; L282-L298 HydrophobicContact CD2-CD1 4.37Å; L282-L298 HydrophobicContact CD2-CD2 4.14Å; L282-L298 HydrophobicContact CG-CD2 4.33Å; Y283-L298 WeakPolarHBondContact O-CA 3.3Å; R296-L298 HydrophobicContact CB-CD2 4.38Å; R296-L298 PolarHBondContact O-N 3.26Å; L298-M435 HydrophobicContact CB-CE 4.21Å; L298-M435 HydrophobicContact CD1-CE 4.22Å; L298-A439 HydrophobicContact CD2-CB 3.9Å | ||
| 299 | Y | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.1 | -178.9 | -61.8 | -35.4 | 0 | 0 | 0 | 110.8 | Q145 V270 L282 Y283 V285 L288 T297 N301 M448 | Q145-Y299 WeakPolarHBondContact CG-OH 3.45Å; Q145-Y299 PolarHBondContact NE2-OH 3.42Å; Q145-Y299 PolarHBondContact OE1-OH 2.88Å; V270-Y299 HydrophobicContact CG1-CD1 3.56Å; V270-Y299 HydrophobicContact CG1-CD2 4.47Å; V270-Y299 HydrophobicContact CG1-CE1 4.26Å; V270-Y299 HydrophobicContact CG1-CG 3.69Å; V270-Y299 HydrophobicContact CG2-CG 4.42Å; L282-Y299 WeakPolarHBondContact CA-O 3.4Å; Y283-Y299 PolarHBondContact N-O 3.49Å; Y283-Y299 PolarHBondContact O-N 2.99Å; V285-Y299 HydrophobicContact CG2-CD2 4.46Å; V285-Y299 HydrophobicContact CG2-CE2 3.89Å; L288-Y299 HydrophobicContact CD2-CE2 4.45Å; L288-Y299 WeakPolarHBondContact CD2-OH 3.41Å; T297-Y299 HydrophobicContact CG2-CD1 4.26Å; T297-Y299 HydrophobicContact CG2-CE1 3.51Å; T297-Y299 HydrophobicContact CG2-CE2 4.31Å; Y299-N301 PolarHBondContact O-N 3.37Å; Y299-M448 HydrophobicContact CD2-CB 4.43Å; Y299-M448 HydrophobicContact CE2-CB 4.13Å; Y299-M448 WeakPolarHBondContact CE2-O 3.36Å; Y299-M448 VanDerWaalsContact CZ-O 3.23Å; Y299-M448 PolarHBondContact OH-O 3.1Å |
| 300 | N | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 100.7 | 172 | -172.8 | -22.4 | 0 | 0 | 0 | 108.8 | C268 L269 V270 Q302 V431 V434 M435 | C268-N300 WeakPolarHBondContact O-CB 3.5Å; C268-N300 PolarHBondContact O-N 3.32Å; L269-N300 WeakPolarHBondContact CA-O 3.36Å; L269-N300 HydrophobicContact CD2-CB 3.87Å; V270-N300 PolarHBondContact N-O 2.98Å; N300-Q302 PolarHBondContact O-N 3.47Å; N300-Q302 WeakPolarHBondContact OD1-CG 3.42Å; N300-Q302 PolarHBondContact OD1-NE2 3.3Å; N300-V431 PolarHBondContact ND2-O 2.93Å; N300-V434 WeakPolarHBondContact OD1-CG1 3.32Å; N300-M435 HydrophobicContact CB-SD 3.91Å |
| 301 | N | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123.2 | -174.2 | -168.7 | 23.2 | 0 | 0 | 0 | 111.3 | V270 D272 N277 Y279 G280 K281 Y283 Y299 | V270-N301 HydrophobicContact CG2-CB 3.95Å; V270-N301 WeakPolarHBondContact O-CA 3.39Å; V270-N301 PolarHBondContact O-OD1 3.45Å; D272-N301 PolarHBondContact N-OD1 3.21Å; D272-N301 PolarHBondContact O-ND2 3.21Å; D272-N301 PolarHBondContact O-OD1 3.21Å; N277-N301 PolarHBondContact O-ND2 2.78Å; Y279-N301 CarbonylContact C-O 3.47Å; Y279-N301 WeakPolarHBondContact CA-O 3.33Å; G280-N301 PolarHBondContact N-O 3.1Å; K281-N301 PolarHBondContact O-N 2.85Å; K281-N301 VanDerWaalsContact O-N 3.07Å; Y283-N301 HydrophobicContact CD2-CB 3.8Å; Y283-N301 HydrophobicContact CE2-CB 3.51Å; Y299-N301 PolarHBondContact O-N 3.37Å |
| 302 | Q | 98.9 | Very high | 98.4 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | trans | -138.8 | 157.2 | -172.9 | -65.9 | -63.9 | -15.8 | 0 | 0 | 112.1 | L269 V270 N271 Y279 N300 L306 L307 V431 | L269-Q302 HydrophobicContact CD2-CG 4.17Å; V270-Q302 PolarHBondContact O-N 3.3Å; N271-Q302 PolarHBondContact ND2-O 2.85Å; Y279-Q302 WeakPolarHBondContact CE1-O 3.46Å; N300-Q302 PolarHBondContact O-N 3.47Å; N300-Q302 WeakPolarHBondContact OD1-CG 3.42Å; N300-Q302 PolarHBondContact OD1-NE2 3.3Å; Q302-L306 HydrophobicContact CB-CB 4.42Å; Q302-L306 HydrophobicContact CB-CD2 3.58Å; Q302-L306 HydrophobicContact CG-CD2 3.49Å; Q302-L306 VanDerWaalsContact CG-CD2 3.49Å; Q302-L307 HydrophobicContact CB-CD1 3.7Å; Q302-V431 HydrophobicContact CG-CG1 4.39Å | ||
| 303 | P | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | trans | -59.8 | 141.4 | 172.2 | -18.6 | 30.6 | 0 | 0 | 0 | 110.8 | Y279 Q305 L306 L307 | Y279-P303 HydrophobicContact CD2-CB 4.24Å; Y279-P303 HydrophobicContact CD2-CG 3.66Å; Y279-P303 HydrophobicContact CE2-CB 4.13Å; Y279-P303 HydrophobicContact CE2-CG 4.07Å; Y279-P303 HydrophobicContact CG-CG 4.04Å; P303-Q305 PolarHBondContact O-N 3.16Å; P303-L306 WeakPolarHBondContact O-CB 3.27Å; P303-L306 PolarHBondContact O-N 3.34Å; P303-L307 WeakPolarHBondContact O-CD1 3.44Å | ||
| 304 | I | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 30.9 Ų | 30.9 | 18% | 0.179 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.4 | -29.8 | -175.8 | -164.7 | 55.9 | 0 | 0 | 0 | 113.8 | N271 L306 L307 K308 F413 | N271-I304 HydrophobicContact CB-CB 4.37Å; N271-I304 HydrophobicContact CB-CD1 3.78Å; N271-I304 PolarHBondContact ND2-N 2.87Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 3.09Å; I304-L307 HydrophobicContact CD1-CB 4.48Å; I304-L307 HydrophobicContact CD1-CD2 4.27Å; I304-L307 PolarHBondContact O-N 3.26Å; I304-K308 WeakPolarHBondContact O-CG 3.2Å; I304-K308 PolarHBondContact O-N 3.28Å; I304-K308 VanDerWaalsContact O-N 3.1Å; I304-F413 HydrophobicContact CD1-CD1 3.92Å; I304-F413 HydrophobicContact CD1-CE1 3.8Å; I304-F413 HydrophobicContact CG1-CD1 4.34Å |
| 305 | Q | 98.3 | Very high | 98.5 | Very high | 69 Ų | 69 | 29.7 Ų | 29.7 | 32% | 0.322 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 177.2 | -168.7 | 59.4 | 46.1 | 0 | 0 | 112.4 | P303 L307 K308 N309 | P303-Q305 PolarHBondContact O-N 3.16Å; Q305-L307 VanDerWaalsContact C-N 3.35Å; Q305-K308 PolarHBondContact O-N 3.2Å; Q305-N309 PolarHBondContact NE2-OD1 3.04Å; Q305-N309 WeakPolarHBondContact O-CB 3.3Å; Q305-N309 PolarHBondContact O-N 3.23Å; Q305-N309 PolarHBondContact O-OD1 2.86Å |
| 306 | L | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 22% | 0.215 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 176.3 | -173.4 | 87.5 | 0 | 0 | 0 | 110.6 | L269 Q302 P303 I304 K308 N309 A310 P428 V431 | L269-L306 HydrophobicContact CD1-CD2 4.14Å; Q302-L306 HydrophobicContact CB-CB 4.42Å; Q302-L306 HydrophobicContact CB-CD2 3.58Å; Q302-L306 HydrophobicContact CG-CD2 3.49Å; Q302-L306 VanDerWaalsContact CG-CD2 3.49Å; P303-L306 WeakPolarHBondContact O-CB 3.27Å; P303-L306 PolarHBondContact O-N 3.34Å; I304-L306 VanDerWaalsContact C-N 3.34Å; I304-L306 PolarHBondContact O-N 3.09Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.17Å; L306-N309 PolarHBondContact O-N 3.36Å; L306-A310 WeakPolarHBondContact O-CB 3.5Å; L306-A310 PolarHBondContact O-N 3.19Å; L306-P428 HydrophobicContact CD1-CG 4.48Å; L306-V431 HydrophobicContact CD1-CG2 4.29Å; L306-V431 HydrophobicContact CD2-CG1 4.09Å; L306-V431 HydrophobicContact CD2-CG2 3.65Å |
| 307 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 177.3 | -78.4 | 70.7 | 0 | 0 | 0 | 111 | L269 N271 Q302 P303 I304 Q305 A311 F413 V420 | L269-L307 HydrophobicContact CB-CD1 4.19Å; L269-L307 HydrophobicContact CB-CG 3.95Å; L269-L307 HydrophobicContact CD1-CG 4.46Å; N271-L307 HydrophobicContact CB-CD1 4.39Å; N271-L307 HydrophobicContact CB-CD2 3.9Å; Q302-L307 HydrophobicContact CB-CD1 3.7Å; P303-L307 WeakPolarHBondContact O-CD1 3.44Å; I304-L307 HydrophobicContact CD1-CB 4.48Å; I304-L307 HydrophobicContact CD1-CD2 4.27Å; I304-L307 PolarHBondContact O-N 3.26Å; Q305-L307 VanDerWaalsContact C-N 3.35Å; L307-A311 VanDerWaalsContact O-CB 3.26Å; L307-A311 WeakPolarHBondContact O-CB 3.42Å; L307-A311 PolarHBondContact O-N 2.95Å; L307-F413 HydrophobicContact CB-CE1 4.43Å; L307-V420 HydrophobicContact CB-CG1 4.45Å; L307-V420 HydrophobicContact CB-CG2 3.76Å; L307-V420 HydrophobicContact CD2-CG1 4.49Å; L307-V420 HydrophobicContact CD2-CG2 4.02Å; L307-V420 HydrophobicContact CG-CG2 3.68Å |
| 308 | K | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 176.1 | -69.7 | 175.2 | 173.8 | -170.6 | 0 | 111.5 | I304 Q305 L306 A311 A312 Y387 W390 D410 F413 S414 | I304-K308 WeakPolarHBondContact O-CG 3.2Å; I304-K308 PolarHBondContact O-N 3.28Å; I304-K308 VanDerWaalsContact O-N 3.1Å; Q305-K308 PolarHBondContact O-N 3.2Å; L306-K308 VanDerWaalsContact C-N 3.33Å; L306-K308 PolarHBondContact O-N 3.17Å; K308-A311 PolarHBondContact O-N 2.62Å; K308-A312 WeakPolarHBondContact O-CB 3.33Å; K308-A312 PolarHBondContact O-N 2.76Å; K308-Y387 HydrophobicContact CB-CD2 3.97Å; K308-Y387 HydrophobicContact CB-CE2 3.76Å; K308-Y387 HydrophobicContact CD-CD2 4.48Å; K308-W390 HydrophobicContact CB-CH2 4.15Å; K308-W390 HydrophobicContact CB-CZ2 3.97Å; K308-W390 HydrophobicContact CG-CZ2 4.01Å; K308-W390 WeakPolarHBondContact O-CH2 3.4Å; K308-D410 WeakPolarHBondContact CD-OD1 3.44Å; K308-D410 WeakPolarHBondContact CE-OD1 3.43Å; K308-D410 PolarHBondContact NZ-O 2.77Å; K308-D410 IonicContact NZ-OD1 2.71Å; K308-D410 PolarHBondContact NZ-OD1 3.1Å; K308-D410 IonicContact NZ-OD2 3.38Å; K308-D410 PolarHBondContact NZ-OD2 3.46Å; K308-F413 HydrophobicContact CD-CD1 4.35Å; K308-F413 HydrophobicContact CG-CD1 3.71Å; K308-F413 HydrophobicContact CG-CD2 4.42Å; K308-F413 HydrophobicContact CG-CE1 3.65Å; K308-F413 HydrophobicContact CG-CE2 4.35Å; K308-F413 HydrophobicContact CG-CG 4.15Å; K308-F413 HydrophobicContact CG-CZ 3.98Å; K308-S414 PolarHBondContact NZ-OG 2.81Å |
| 309 | N | 98.6 | Very high | 98.6 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.7 | -50.9 | -179.6 | -68.2 | 0.1 | 0 | 0 | 0 | 111.2 | Q305 L306 A311 A312 D313 Y387 | Q305-N309 PolarHBondContact NE2-OD1 3.04Å; Q305-N309 WeakPolarHBondContact O-CB 3.3Å; Q305-N309 PolarHBondContact O-N 3.23Å; Q305-N309 PolarHBondContact O-OD1 2.86Å; L306-N309 PolarHBondContact O-N 3.36Å; N309-A311 VanDerWaalsContact C-N 3.32Å; N309-A311 PolarHBondContact O-N 3.48Å; N309-A312 PolarHBondContact O-N 3.39Å; N309-D313 WeakPolarHBondContact O-CB 3.09Å; N309-D313 VanDerWaalsContact O-CG 3.27Å; N309-D313 PolarHBondContact O-N 3.33Å; N309-Y387 WeakPolarHBondContact CA-OH 3.3Å; N309-Y387 PolarHBondContact OD1-OH 2.89Å |
| 310 | A | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L269 L306 S314 V422 L427 | L269-A310 HydrophobicContact CD1-CB 4.44Å; L306-A310 WeakPolarHBondContact O-CB 3.5Å; L306-A310 PolarHBondContact O-N 3.19Å; A310-S314 WeakPolarHBondContact O-CB 3.35Å; A310-S314 PolarHBondContact O-N 2.79Å; A310-V422 HydrophobicContact CB-CG1 4.33Å; A310-V422 HydrophobicContact CB-CG2 4.07Å; A310-L427 HydrophobicContact CB-CD2 3.78Å |
| 311 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L307 K308 N309 S314 I315 V321 L375 W390 | L307-A311 VanDerWaalsContact O-CB 3.26Å; L307-A311 WeakPolarHBondContact O-CB 3.42Å; L307-A311 PolarHBondContact O-N 2.95Å; K308-A311 PolarHBondContact O-N 2.62Å; N309-A311 VanDerWaalsContact C-N 3.32Å; N309-A311 PolarHBondContact O-N 3.48Å; A311-S314 PolarHBondContact O-N 2.85Å; A311-I315 WeakPolarHBondContact O-CG1 3.38Å; A311-I315 PolarHBondContact O-N 3.4Å; A311-V321 HydrophobicContact CB-CG1 4.09Å; A311-V321 HydrophobicContact CB-CG2 4.2Å; A311-L375 HydrophobicContact CB-CD1 3.95Å; A311-W390 HydrophobicContact CB-CZ3 4.18Å |
| 312 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K308 N309 S314 I315 K316 V378 Y387 W390 | K308-A312 WeakPolarHBondContact O-CB 3.33Å; K308-A312 PolarHBondContact O-N 2.76Å; N309-A312 PolarHBondContact O-N 3.39Å; A312-S314 VanDerWaalsContact C-N 3.31Å; A312-S314 PolarHBondContact O-N 3.24Å; A312-I315 PolarHBondContact O-N 2.84Å; A312-K316 WeakPolarHBondContact O-CB 3.39Å; A312-K316 VanDerWaalsContact O-CG 3.29Å; A312-K316 WeakPolarHBondContact O-CG 3.29Å; A312-K316 PolarHBondContact O-N 3.24Å; A312-V378 HydrophobicContact CB-CG1 4.23Å; A312-Y387 HydrophobicContact CB-CD1 4.28Å; A312-Y387 HydrophobicContact CB-CE1 3.38Å; A312-Y387 HydrophobicContact CB-CE2 4.29Å; A312-Y387 VanDerWaalsContact CB-OH 3.29Å; A312-Y387 WeakPolarHBondContact CB-OH 3.47Å; A312-W390 HydrophobicContact CB-CH2 4.01Å; A312-W390 HydrophobicContact CB-CZ3 4.17Å |
| 313 | D | 98.5 | Very high | 98.6 | Very high | 72 Ų | 72 | 28.6 Ų | 28.6 | 39% | 0.385 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | 176.2 | -69.8 | -15.9 | 0 | 0 | 0 | 110.9 | N309 I315 K316 E317 F426 | N309-D313 WeakPolarHBondContact O-CB 3.09Å; N309-D313 VanDerWaalsContact O-CG 3.27Å; N309-D313 PolarHBondContact O-N 3.33Å; D313-I315 PolarHBondContact O-N 3.02Å; D313-K316 PolarHBondContact O-N 3Å; D313-E317 PolarHBondContact O-N 3.19Å; D313-F426 HydrophobicContact CB-CD1 3.94Å |
| 314 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.2 | -173.3 | 0 | 0 | 0 | 0 | 112.6 | A310 A311 A312 K316 E317 G318 E319 | A310-S314 WeakPolarHBondContact O-CB 3.35Å; A310-S314 PolarHBondContact O-N 2.79Å; A311-S314 PolarHBondContact O-N 2.85Å; A312-S314 VanDerWaalsContact C-N 3.31Å; A312-S314 PolarHBondContact O-N 3.24Å; S314-K316 VanDerWaalsContact C-N 3.34Å; S314-K316 PolarHBondContact O-N 3.46Å; S314-E317 CarbonylContact O-C 3.56Å; S314-E317 PolarHBondContact O-N 2.69Å; S314-G318 PolarHBondContact O-N 2.98Å; S314-G318 VanDerWaalsContact O-N 3.13Å; S314-E319 CarbonylContact C-O 3.59Å; S314-E319 VanDerWaalsContact C-O 3.24Å; S314-E319 PolarHBondContact O-N 2.68Å; S314-E319 VanDerWaalsContact O-O 3.12Å; S314-E319 PolarHBondContact OG-O 2.89Å |
| 315 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.5 | -69.5 | 165.1 | 0 | 0 | 0 | 110.7 | I56 A311 A312 D313 E317 G318 E319 V321 L375 V378 W390 | I56-I315 HydrophobicContact CG2-CG2 4.37Å; A311-I315 WeakPolarHBondContact O-CG1 3.38Å; A311-I315 PolarHBondContact O-N 3.4Å; A312-I315 PolarHBondContact O-N 2.84Å; D313-I315 PolarHBondContact O-N 3.02Å; I315-E317 VanDerWaalsContact C-N 3.28Å; I315-E317 PolarHBondContact O-N 3.16Å; I315-G318 WeakPolarHBondContact O-CA 3.04Å; I315-G318 PolarHBondContact O-N 3.23Å; I315-E319 PolarHBondContact N-O 3.23Å; I315-V321 HydrophobicContact CG1-CG2 4.25Å; I315-L375 HydrophobicContact CD1-CB 3.82Å; I315-V378 HydrophobicContact CB-CG1 4.5Å; I315-V378 HydrophobicContact CD1-CB 4.3Å; I315-V378 HydrophobicContact CD1-CG1 4.48Å; I315-V378 HydrophobicContact CG2-CG1 4.17Å; I315-W390 HydrophobicContact CD1-CE3 4.24Å; I315-W390 HydrophobicContact CD1-CZ3 4.23Å |
| 316 | K | 98.3 | Very high | 98.6 | Very high | 83 Ų | 83 | 21.4 Ų | 21.4 | 36% | 0.361 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64.9 | -32.4 | 179.3 | -74.9 | 172 | 177.8 | 179.3 | 0 | 112.1 | H54 A312 D313 S314 G318 D380 | H54-K316 HydrophobicContact CB-CG 4.17Å; A312-K316 WeakPolarHBondContact O-CB 3.39Å; A312-K316 VanDerWaalsContact O-CG 3.29Å; A312-K316 WeakPolarHBondContact O-CG 3.29Å; A312-K316 PolarHBondContact O-N 3.24Å; D313-K316 PolarHBondContact O-N 3Å; S314-K316 VanDerWaalsContact C-N 3.34Å; S314-K316 PolarHBondContact O-N 3.46Å; K316-G318 VanDerWaalsContact C-N 3.26Å; K316-G318 PolarHBondContact O-N 2.74Å; K316-D380 VanDerWaalsContact NZ-CG 3.26Å; K316-D380 IonicContact NZ-OD1 3.02Å; K316-D380 PolarHBondContact NZ-OD1 3.14Å; K316-D380 IonicContact NZ-OD2 2.85Å; K316-D380 PolarHBondContact NZ-OD2 2.95Å |
| 317 | E | 98 | Very high | 98.6 | Very high | 129 Ų | 129 | 20 Ų | 20 | 60% | 0.603 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 7.1 | 170.6 | -72.5 | -60 | 138.5 | 0 | 0 | 113.9 | D313 S314 I315 F426 | D313-E317 PolarHBondContact O-N 3.19Å; S314-E317 CarbonylContact O-C 3.56Å; S314-E317 PolarHBondContact O-N 2.69Å; I315-E317 VanDerWaalsContact C-N 3.28Å; I315-E317 PolarHBondContact O-N 3.16Å; E317-F426 HydrophobicContact CB-CE1 3.77Å; E317-F426 HydrophobicContact CB-CZ 3.73Å; E317-F426 HydrophobicContact CG-CE1 3.68Å; E317-F426 HydrophobicContact CG-CZ 4.16Å |
| 318 | G | 97.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 22.6 Ų | 22.6 | 32% | 0.32 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 19 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116 | S314 I315 K316 | S314-G318 PolarHBondContact O-N 2.98Å; S314-G318 VanDerWaalsContact O-N 3.13Å; I315-G318 WeakPolarHBondContact O-CA 3.04Å; I315-G318 PolarHBondContact O-N 3.23Å; K316-G318 VanDerWaalsContact C-N 3.26Å; K316-G318 PolarHBondContact O-N 2.74Å |
| 319 | E | 98.4 | Very high | 98.5 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | trans | -110.8 | 124.4 | 175 | -174.5 | 172.5 | 119.6 | 0 | 0 | 111.3 | Y261 K266 S314 I315 | Y261-E319 HydrophobicContact CE2-CG 4.15Å; K266-E319 IonicContact NZ-OE1 2.76Å; K266-E319 PolarHBondContact NZ-OE1 3.16Å; K266-E319 IonicContact NZ-OE2 3.21Å; K266-E319 PolarHBondContact NZ-OE2 2.78Å; S314-E319 CarbonylContact C-O 3.59Å; S314-E319 VanDerWaalsContact C-O 3.24Å; S314-E319 PolarHBondContact O-N 2.68Å; S314-E319 VanDerWaalsContact O-O 3.12Å; S314-E319 PolarHBondContact OG-O 2.89Å; I315-E319 PolarHBondContact N-O 3.23Å | ||
| 320 | A | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | trans | -69.5 | 151.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I56 V80 L83 I374 L375 | I56-A320 HydrophobicContact CD1-CB 4.11Å; V80-A320 HydrophobicContact CG1-CB 4.45Å; V80-A320 WeakPolarHBondContact CG1-O 3.1Å; V80-A320 HydrophobicContact CG2-CB 4.26Å; L83-A320 HydrophobicContact CD1-CB 3.47Å; L83-A320 VanDerWaalsContact CD1-CB 3.47Å; A320-I374 HydrophobicContact CB-CD1 4.09Å; A320-L375 WeakPolarHBondContact CA-O 3.42Å; A320-L375 WeakPolarHBondContact CB-O 3.41Å | ||
| 321 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.2 | -171.4 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | A311 I315 I374 L375 V420 V422 | A311-V321 HydrophobicContact CB-CG1 4.09Å; A311-V321 HydrophobicContact CB-CG2 4.2Å; I315-V321 HydrophobicContact CG1-CG2 4.25Å; V321-I374 CarbonylContact O-C 3.58Å; V321-I374 WeakPolarHBondContact O-CA 3.16Å; V321-L375 HydrophobicContact CB-CB 4.14Å; V321-L375 HydrophobicContact CB-CD1 4.18Å; V321-L375 HydrophobicContact CB-CG 4.39Å; V321-L375 HydrophobicContact CG1-CD1 4.23Å; V321-L375 PolarHBondContact N-O 3.07Å; V321-L375 VanDerWaalsContact N-O 3.13Å; V321-L375 PolarHBondContact O-N 2.87Å; V321-V420 HydrophobicContact CG1-CB 4.07Å; V321-V422 HydrophobicContact CG1-CG1 3.95Å; V321-V422 HydrophobicContact CG2-CG1 4.27Å |
| 322 | W | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.5 | 168 | -179.1 | 106.5 | 0 | 0 | 0 | 108.8 | W73 S76 V80 W146 A372 E419 V421 L451 | W73-W322 HydrophobicContact CB-CZ2 4.16Å; W73-W322 PolarHBondContact O-NE1 3.21Å; S76-W322 VanDerWaalsContact CB-CD1 3.43Å; V80-W322 HydrophobicContact CG2-CB 4.25Å; W146-W322 HydrophobicContact CE3-CD2 4.25Å; W146-W322 HydrophobicContact CE3-CG 4.24Å; W146-W322 HydrophobicContact CZ3-CB 4.17Å; W146-W322 HydrophobicContact CZ3-CG 4.15Å; W322-A372 HydrophobicContact CH2-CB 4.27Å; W322-A372 HydrophobicContact CZ2-CB 3.46Å; W322-A372 VanDerWaalsContact CZ2-CB 3.46Å; W322-E419 WeakPolarHBondContact CH2-OE2 3.17Å; W322-E419 HydrophobicContact CZ3-CB 4.3Å; W322-E419 HydrophobicContact CZ3-CG 3.78Å; W322-E419 WeakPolarHBondContact CZ3-OE1 3.35Å; W322-V421 HydrophobicContact CB-CB 4.31Å; W322-V421 HydrophobicContact CD2-CG2 4.34Å; W322-V421 HydrophobicContact CE3-CB 4.13Å; W322-V421 HydrophobicContact CE3-CG2 3.5Å; W322-V421 HydrophobicContact CZ3-CG2 3.96Å; W322-V421 PolarHBondContact O-N 3.39Å; W322-L451 HydrophobicContact CH2-CD1 3.48Å; W322-L451 VanDerWaalsContact CH2-CD1 3.48Å; W322-L451 HydrophobicContact CZ2-CD1 3.57Å |
| 323 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 154.1 | 177 | 79.3 | -80.6 | 0 | 0 | 0 | 112.1 | C325 A372 M373 L375 V392 M408 V417 E419 V420 | F323-C325 HydrophobicContact CD2-CB 4.14Å; F323-C325 HydrophobicContact CE2-CB 3.91Å; F323-A372 CarbonylContact O-C 3.24Å; F323-A372 WeakPolarHBondContact O-CA 3.05Å; F323-M373 HydrophobicContact CD1-CB 4.27Å; F323-M373 WeakPolarHBondContact CD1-O 3.13Å; F323-M373 HydrophobicContact CE1-CB 3.53Å; F323-M373 HydrophobicContact CE2-CE 4.12Å; F323-M373 HydrophobicContact CZ-CB 3.79Å; F323-M373 HydrophobicContact CZ-CE 3.73Å; F323-M373 PolarHBondContact N-O 2.92Å; F323-M373 PolarHBondContact O-N 3.27Å; F323-L375 HydrophobicContact CD1-CD1 4.36Å; F323-L375 HydrophobicContact CD1-CD2 3.68Å; F323-L375 HydrophobicContact CD1-CG 3.57Å; F323-L375 HydrophobicContact CE1-CD2 3.38Å; F323-L375 HydrophobicContact CE1-CG 3.8Å; F323-L375 HydrophobicContact CG-CD2 4.35Å; F323-L375 HydrophobicContact CG-CG 4.25Å; F323-L375 HydrophobicContact CZ-CD2 3.86Å; F323-V392 HydrophobicContact CE1-CG1 3.82Å; F323-V392 HydrophobicContact CE1-CG2 4.19Å; F323-V392 HydrophobicContact CZ-CG1 3.81Å; F323-V392 HydrophobicContact CZ-CG2 3.91Å; F323-M408 HydrophobicContact CE2-CE 4.43Å; F323-M408 HydrophobicContact CE2-SD 4.19Å; F323-M408 HydrophobicContact CZ-CE 4.35Å; F323-M408 HydrophobicContact CZ-SD 4.32Å; F323-V417 HydrophobicContact CD2-CG1 4.13Å; F323-V417 HydrophobicContact CD2-CG2 3.92Å; F323-V417 HydrophobicContact CE2-CG2 3.99Å; F323-E419 CarbonylContact C-O 2.85Å; F323-E419 WeakPolarHBondContact CA-O 3.45Å; F323-E419 VanDerWaalsContact CB-O 3.23Å; F323-E419 WeakPolarHBondContact CB-O 3.38Å; F323-V420 HydrophobicContact CB-CG1 3.91Å |
| 324 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M369 Y418 E419 | G324-M369 WeakPolarHBondContact CA-SD 3.31Å; G324-Y418 PolarHBondContact O-N 2.86Å; G324-E419 PolarHBondContact N-O 3.28Å; G324-E419 PolarHBondContact O-N 2.94Å |
| 325 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 172.1 | -172.3 | 66.8 | 0 | 0 | 0 | 0 | 113 | F323 T370 H371 M373 W412 Y416 V417 | F323-C325 HydrophobicContact CD2-CB 4.14Å; F323-C325 HydrophobicContact CE2-CB 3.91Å; C325-T370 PolarHBondContact O-N 3.33Å; C325-H371 PolarHBondContact N-O 3.32Å; C325-H371 PolarHBondContact O-N 2.77Å; C325-M373 WeakPolarHBondContact SG-CE 3.16Å; C325-W412 HydrophobicContact CB-CH2 3.79Å; C325-W412 HydrophobicContact CB-CZ3 3.91Å; C325-Y416 CarbonylContact C-O 3.12Å; C325-Y416 WeakPolarHBondContact CA-O 3.46Å; C325-Y416 WeakPolarHBondContact CB-O 3.46Å; C325-V417 HydrophobicContact CB-CG2 4.2Å |
| 326 | D | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | trans | -91.9 | 85.1 | 162.3 | -163.9 | -16.4 | 0 | 0 | 0 | 110.8 | G328 K329 S367 L368 T370 W412 Y416 Y418 | D326-G328 PolarHBondContact O-N 3.33Å; D326-G328 VanDerWaalsContact O-N 3.14Å; D326-G328 PolarHBondContact OD1-N 3.36Å; D326-K329 HydrophobicContact CB-CG 4.02Å; D326-K329 VanDerWaalsContact CG-CG 3.49Å; D326-K329 PolarHBondContact O-N 3.24Å; D326-K329 IonicContact OD1-NZ 2.69Å; D326-K329 WeakPolarHBondContact OD2-CG 3.34Å; D326-K329 IonicContact OD2-NZ 3.23Å; D326-K329 PolarHBondContact OD2-NZ 2.95Å; D326-S367 PolarHBondContact OD2-OG 3.05Å; D326-S367 VanDerWaalsContact OD2-OG 3.1Å; D326-L368 WeakPolarHBondContact CB-O 3.23Å; D326-T370 WeakPolarHBondContact CA-OG1 3.14Å; D326-T370 PolarHBondContact OD1-OG1 3.19Å; D326-T370 VanDerWaalsContact OD1-OG1 3.11Å; D326-W412 VanDerWaalsContact O-CZ2 3.3Å; D326-W412 WeakPolarHBondContact O-CZ2 3.47Å; D326-Y416 HydrophobicContact CB-CD1 4.28Å; D326-Y416 PolarHBondContact N-O 3.02Å; D326-Y418 HydrophobicContact CB-CE2 4.11Å | ||
| 327 | V | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 30 Ų | 30 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.4 | -172.2 | 71 | 0 | 0 | 0 | 0 | 113.5 | K329 F331 T370 H371 M373 W396 | V327-K329 VanDerWaalsContact C-N 3.3Å; V327-K329 PolarHBondContact O-N 2.97Å; V327-F331 HydrophobicContact CG2-CD1 4.4Å; V327-F331 HydrophobicContact CG2-CE1 4.33Å; V327-F331 WeakPolarHBondContact O-CB 3.02Å; V327-F331 VanDerWaalsContact O-CD1 3.24Å; V327-F331 WeakPolarHBondContact O-CD1 3.38Å; V327-F331 VanDerWaalsContact O-CG 3.23Å; V327-F331 WeakPolarHBondContact O-CG 3.4Å; V327-T370 PolarHBondContact N-OG1 3.39Å; V327-H371 HydrophobicContact CB-CB 3.84Å; V327-H371 HydrophobicContact CG1-CB 3.41Å; V327-H371 VanDerWaalsContact CG1-CB 3.41Å; V327-M373 HydrophobicContact CB-CE 4.23Å; V327-M373 HydrophobicContact CG2-CE 3.69Å; V327-M373 HydrophobicContact CG2-SD 4.22Å; V327-W396 HydrophobicContact CG1-CH2 3.98Å; V327-W396 HydrophobicContact CG1-CZ2 4.25Å; V327-W396 HydrophobicContact CG2-CH2 3.87Å |
| 328 | G | 96.9 | Very high | 97.7 | Very high | 53 Ų | 53 | 23.9 Ų | 23.9 | 55% | 0.546 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | D326 | D326-G328 PolarHBondContact O-N 3.33Å; D326-G328 VanDerWaalsContact O-N 3.14Å; D326-G328 PolarHBondContact OD1-N 3.36Å |
| 329 | K | 98 | Very high | 97.8 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 22% | 0.222 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 131.8 | -174.3 | -62.6 | -62.1 | -164.3 | -63.4 | 0 | 110.8 | D326 V327 F331 D366 W412 Y416 | D326-K329 HydrophobicContact CB-CG 4.02Å; D326-K329 VanDerWaalsContact CG-CG 3.49Å; D326-K329 PolarHBondContact O-N 3.24Å; D326-K329 IonicContact OD1-NZ 2.69Å; D326-K329 WeakPolarHBondContact OD2-CG 3.34Å; D326-K329 IonicContact OD2-NZ 3.23Å; D326-K329 PolarHBondContact OD2-NZ 2.95Å; V327-K329 VanDerWaalsContact C-N 3.3Å; V327-K329 PolarHBondContact O-N 2.97Å; K329-F331 PolarHBondContact O-N 2.74Å; K329-F331 VanDerWaalsContact O-N 3.12Å; K329-D366 WeakPolarHBondContact CE-O 3.48Å; K329-D366 PolarHBondContact NZ-O 3.31Å; K329-W412 PolarHBondContact O-NE1 3.44Å; K329-Y416 HydrophobicContact CB-CD1 3.64Å; K329-Y416 HydrophobicContact CB-CD2 3.92Å; K329-Y416 HydrophobicContact CB-CE1 3.49Å; K329-Y416 VanDerWaalsContact CB-CE1 3.49Å; K329-Y416 HydrophobicContact CB-CE2 3.75Å; K329-Y416 HydrophobicContact CB-CG 3.87Å; K329-Y416 HydrophobicContact CD-CE1 4.35Å; K329-Y416 HydrophobicContact CG-CD1 3.77Å; K329-Y416 HydrophobicContact CG-CE1 3.55Å; K329-Y416 HydrophobicContact CG-CG 4.47Å |
| 330 | H | 97.8 | Very high | 97.7 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 7% | 0.074 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 47.4 | 177.9 | -61.7 | -94.3 | 0 | 0 | 0 | 113.2 | D339 M340 V342 Y416 | H330-D339 PolarHBondContact O-N 3.46Å; H330-M340 PolarHBondContact ND1-O 2.99Å; H330-V342 HydrophobicContact CB-CG1 4.49Å; H330-V342 WeakPolarHBondContact O-CG1 3.47Å; H330-Y416 AromaticContact CD2-CE2 3.45Å; H330-Y416 VanDerWaalsContact CD2-CE2 3.45Å; H330-Y416 WeakPolarHBondContact CD2-CE2 3.45Å; H330-Y416 AromaticContact CD2-CZ 3.66Å; H330-Y416 PolarHBondContact CD2-OH 2.94Å; H330-Y416 PolarHBondContact NE2-OH 3.13Å |
| 331 | F | 97.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.8 | -171.7 | 172.4 | -126.3 | 0 | 0 | 0 | 111.5 | V327 K329 S333 I337 N338 F343 W396 L406 | V327-F331 HydrophobicContact CG2-CD1 4.4Å; V327-F331 HydrophobicContact CG2-CE1 4.33Å; V327-F331 WeakPolarHBondContact O-CB 3.02Å; V327-F331 VanDerWaalsContact O-CD1 3.24Å; V327-F331 WeakPolarHBondContact O-CD1 3.38Å; V327-F331 VanDerWaalsContact O-CG 3.23Å; V327-F331 WeakPolarHBondContact O-CG 3.4Å; K329-F331 PolarHBondContact O-N 2.74Å; K329-F331 VanDerWaalsContact O-N 3.12Å; F331-S333 VanDerWaalsContact CZ-CA 3.41Å; F331-I337 WeakPolarHBondContact CA-O 3.33Å; F331-I337 WeakPolarHBondContact CD2-O 3.27Å; F331-N338 WeakPolarHBondContact CD2-ND2 3.26Å; F331-N338 WeakPolarHBondContact CD2-OD1 3.43Å; F331-F343 WeakPolarHBondContact O-CE2 3.46Å; F331-F343 WeakPolarHBondContact O-CZ 3.49Å; F331-W396 HydrophobicContact CE1-CH2 4.06Å; F331-W396 AromaticContact CE1-CZ3 3.66Å; F331-W396 HydrophobicContact CE1-CZ3 3.66Å; F331-W396 HydrophobicContact CZ-CH2 4.46Å; F331-W396 AromaticContact CZ-CZ3 3.77Å; F331-W396 HydrophobicContact CZ-CZ3 3.77Å; F331-L406 HydrophobicContact CE2-CD1 3.99Å; F331-L406 HydrophobicContact CE2-CD2 4.11Å; F331-L406 HydrophobicContact CZ-CD1 4.29Å; F331-L406 HydrophobicContact CZ-CD2 4.29Å |
| 332 | H | 97.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 99 | 172.4 | -168.5 | -80.7 | 0 | 0 | 0 | 110.9 | E37 L40 K334 L335 G336 I337 V342 F343 | E37-H332 IonicContact OE1-NE2 3.05Å; E37-H332 IonicContact OE2-NE2 3.44Å; L40-H332 HydrophobicContact CD1-CB 4.49Å; H332-K334 PolarHBondContact O-N 3.08Å; H332-L335 WeakPolarHBondContact ND1-CB 3.47Å; H332-L335 VanDerWaalsContact ND1-CG 3.33Å; H332-L335 WeakPolarHBondContact ND1-CG 3.34Å; H332-L335 PolarHBondContact ND1-N 3.43Å; H332-L335 PolarHBondContact O-N 3.49Å; H332-G336 PolarHBondContact O-N 3.25Å; H332-I337 PolarHBondContact N-O 3.32Å; H332-I337 PolarHBondContact O-N 3.21Å; H332-V342 HydrophobicContact CB-CG2 3.91Å; H332-F343 HydrophobicContact CB-CZ 4.17Å |
| 333 | S | 93.5 | Very high | 97.6 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 37% | 0.371 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -39.7 | -167.5 | 64 | 0 | 0 | 0 | 0 | 115.6 | F331 L335 G336 G401 | F331-S333 VanDerWaalsContact CZ-CA 3.41Å; S333-L335 VanDerWaalsContact C-N 3.32Å; S333-L335 PolarHBondContact O-N 2.97Å; S333-G336 PolarHBondContact O-N 3.02Å; S333-G401 PolarHBondContact O-N 2.85Å |
| 334 | K | 93.9 | Very high | 97.5 | Very high | 140 Ų | 140 | 29.2 Ų | 29.2 | 61% | 0.609 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -35.5 | 179.4 | -64.8 | 174.7 | -172.1 | 149.8 | 0 | 112.4 | E37 H332 G401 | E37-K334 IonicContact OE1-NZ 3.52Å; E37-K334 PolarHBondContact OE1-NZ 2.83Å; H332-K334 PolarHBondContact O-N 3.08Å; K334-G401 PolarHBondContact O-N 3.34Å |
| 335 | L | 96.4 | Very high | 97.5 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 34% | 0.335 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -17.2 | -179.3 | -63.7 | 175.1 | 0 | 0 | 0 | 112 | L40 V45 H332 S333 I337 | L40-L335 HydrophobicContact CD2-CD1 4.22Å; V45-L335 HydrophobicContact CG1-CD1 3.83Å; V45-L335 HydrophobicContact CG2-CD1 3.88Å; H332-L335 WeakPolarHBondContact ND1-CB 3.47Å; H332-L335 VanDerWaalsContact ND1-CG 3.33Å; H332-L335 WeakPolarHBondContact ND1-CG 3.34Å; H332-L335 PolarHBondContact ND1-N 3.43Å; H332-L335 PolarHBondContact O-N 3.49Å; S333-L335 VanDerWaalsContact C-N 3.32Å; S333-L335 PolarHBondContact O-N 2.97Å; L335-I337 HydrophobicContact CB-CD1 3.69Å; L335-I337 HydrophobicContact CB-CG1 3.76Å; L335-I337 HydrophobicContact CD1-CD1 4.05Å |
| 336 | G | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 42 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H332 S333 L406 I407 | H332-G336 PolarHBondContact O-N 3.25Å; S333-G336 PolarHBondContact O-N 3.02Å; G336-L406 CarbonylContact O-C 3.52Å; G336-L406 WeakPolarHBondContact O-CA 3.05Å; G336-L406 WeakPolarHBondContact O-CB 3.49Å; G336-I407 PolarHBondContact O-N 3.46Å |
| 337 | I | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.4 | -175.1 | -54.3 | 178.4 | 0 | 0 | 0 | 109.5 | V45 T48 F331 H332 L335 D339 V342 I407 | V45-I337 HydrophobicContact CG2-CD1 4.43Å; T48-I337 HydrophobicContact CG2-CD1 3.84Å; T48-I337 HydrophobicContact CG2-CG1 3.99Å; F331-I337 WeakPolarHBondContact CA-O 3.33Å; F331-I337 WeakPolarHBondContact CD2-O 3.27Å; H332-I337 PolarHBondContact N-O 3.32Å; H332-I337 PolarHBondContact O-N 3.21Å; L335-I337 HydrophobicContact CB-CD1 3.69Å; L335-I337 HydrophobicContact CB-CG1 3.76Å; L335-I337 HydrophobicContact CD1-CD1 4.05Å; I337-D339 HydrophobicContact CG2-CB 3.77Å; I337-V342 HydrophobicContact CB-CG2 4.23Å; I337-V342 HydrophobicContact CG2-CB 4.4Å; I337-V342 HydrophobicContact CG2-CG2 3.97Å; I337-I407 HydrophobicContact CB-CG2 4.39Å; I337-I407 HydrophobicContact CG1-CG2 4.1Å; I337-I407 HydrophobicContact CG2-CG2 4.4Å |
| 338 | N | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 94.1 | 168.7 | -69.4 | 98.3 | 0 | 0 | 0 | 108.1 | F331 L406 I407 M408 T409 W412 | F331-N338 WeakPolarHBondContact CD2-ND2 3.26Å; F331-N338 WeakPolarHBondContact CD2-OD1 3.43Å; N338-L406 WeakPolarHBondContact OD1-CD1 3.26Å; N338-I407 PolarHBondContact N-O 2.81Å; N338-M408 HydrophobicContact CB-CB 3.99Å; N338-M408 HydrophobicContact CB-CG 4.07Å; N338-M408 WeakPolarHBondContact O-CA 3.47Å; N338-T409 PolarHBondContact O-N 3.46Å; N338-W412 HydrophobicContact CB-CD2 3.74Å; N338-W412 HydrophobicContact CB-CE3 4.27Å; N338-W412 HydrophobicContact CB-CG 3.89Å; N338-W412 HydrophobicContact CB-CZ2 4.28Å; N338-W412 WeakPolarHBondContact ND2-CZ2 3.45Å |
| 339 | D | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 10% | 0.096 | 21% | 0.209 | C | C | . | . | trans | -145.2 | 128.5 | -175.8 | -176.1 | -19.9 | 0 | 0 | 0 | 109.9 | T44 H330 I337 N341 V342 T409 | T44-D339 HydrophobicContact CG2-CB 4.36Å; T44-D339 VanDerWaalsContact CG2-OD2 3.23Å; T44-D339 WeakPolarHBondContact CG2-OD2 3.26Å; H330-D339 PolarHBondContact O-N 3.46Å; I337-D339 HydrophobicContact CG2-CB 3.77Å; D339-N341 PolarHBondContact O-N 3.43Å; D339-N341 WeakPolarHBondContact OD1-CB 3.32Å; D339-N341 PolarHBondContact OD1-N 3.43Å; D339-V342 HydrophobicContact CB-CB 4.22Å; D339-V342 WeakPolarHBondContact O-CB 3.44Å; D339-V342 VanDerWaalsContact O-CG1 3.24Å; D339-V342 WeakPolarHBondContact O-CG1 3.49Å; D339-V342 PolarHBondContact O-N 3.23Å; D339-T409 HydrophobicContact CB-CG2 3.78Å; D339-T409 VanDerWaalsContact CG-CG2 3.46Å; D339-T409 WeakPolarHBondContact OD2-CG2 3.29Å | ||
| 340 | M | 98.1 | Very high | 97.1 | Very high | 19 Ų | 19 | 42 Ų | 42 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -26 | 174.8 | -64.1 | -52.1 | -63 | 0 | 0 | 113.3 | H330 K354 D411 E415 Y416 | H330-M340 PolarHBondContact ND1-O 2.99Å; M340-K354 WeakPolarHBondContact O-CE 3.46Å; M340-K354 PolarHBondContact O-NZ 3.02Å; M340-D411 HydrophobicContact CG-CB 3.92Å; M340-E415 HydrophobicContact CE-CB 4.31Å; M340-E415 HydrophobicContact CE-CG 3.9Å; M340-E415 HydrophobicContact CG-CG 4.47Å; M340-E415 HydrophobicContact SD-CB 3.92Å; M340-E415 HydrophobicContact SD-CG 3.86Å; M340-Y416 HydrophobicContact CE-CE2 3.86Å; M340-Y416 HydrophobicContact SD-CD2 3.95Å; M340-Y416 HydrophobicContact SD-CE2 3.46Å; M340-Y416 WeakPolarHBondContact SD-CE2 3.31Å |
| 341 | N | 97.8 | Very high | 97 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 3.4 | -176.9 | -58.5 | -45.3 | 0 | 0 | 0 | 114 | H41 T44 D339 F343 K354 | H41-N341 WeakPolarHBondContact CB-O 3.46Å; T44-N341 PolarHBondContact OG1-O 3.49Å; D339-N341 PolarHBondContact O-N 3.43Å; D339-N341 WeakPolarHBondContact OD1-CB 3.32Å; D339-N341 PolarHBondContact OD1-N 3.43Å; N341-F343 PolarHBondContact O-N 2.9Å; N341-K354 PolarHBondContact OD1-NZ 2.97Å |
| 342 | V | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -63.7 | -27.5 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 112.9 | L40 H41 H330 H332 I337 D339 | L40-V342 HydrophobicContact CD1-CG2 3.82Å; H41-V342 PolarHBondContact N-O 3.03Å; H330-V342 HydrophobicContact CB-CG1 4.49Å; H330-V342 WeakPolarHBondContact O-CG1 3.47Å; H332-V342 HydrophobicContact CB-CG2 3.91Å; I337-V342 HydrophobicContact CB-CG2 4.23Å; I337-V342 HydrophobicContact CG2-CB 4.4Å; I337-V342 HydrophobicContact CG2-CG2 3.97Å; D339-V342 HydrophobicContact CB-CB 4.22Å; D339-V342 WeakPolarHBondContact O-CB 3.44Å; D339-V342 VanDerWaalsContact O-CG1 3.24Å; D339-V342 WeakPolarHBondContact O-CG1 3.49Å; D339-V342 PolarHBondContact O-N 3.23Å |
| 343 | F | 98.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -124 | 127.9 | -179.3 | -60.7 | -55.5 | 0 | 0 | 0 | 112.7 | L36 C39 L40 F331 H332 N341 H345 | L36-F343 HydrophobicContact CB-CD1 4.47Å; L36-F343 HydrophobicContact CB-CE1 3.94Å; L36-F343 HydrophobicContact CB-CZ 4.12Å; L36-F343 HydrophobicContact CD2-CD2 4.24Å; L36-F343 HydrophobicContact CD2-CE2 4.24Å; L36-F343 HydrophobicContact CD2-CG 4.4Å; L36-F343 HydrophobicContact CD2-CZ 4.39Å; L36-F343 WeakPolarHBondContact O-CD1 3.42Å; L36-F343 VanDerWaalsContact O-CE1 3.26Å; L36-F343 WeakPolarHBondContact O-CE1 3.33Å; C39-F343 HydrophobicContact CB-CB 4.04Å; C39-F343 HydrophobicContact CB-CD1 4.1Å; C39-F343 HydrophobicContact CB-CG 4.45Å; C39-F343 CarbonylContact O-C 3.43Å; C39-F343 WeakPolarHBondContact O-CA 3.44Å; L40-F343 HydrophobicContact CD1-CE1 4.28Å; F331-F343 WeakPolarHBondContact O-CE2 3.46Å; F331-F343 WeakPolarHBondContact O-CZ 3.49Å; H332-F343 HydrophobicContact CB-CZ 4.17Å; N341-F343 PolarHBondContact O-N 2.9Å; F343-H345 WeakPolarHBondContact CB-CE1 3.38Å; F343-H345 PolarHBondContact O-N 2.76Å |
| 344 | N | 97.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | trans | -99.3 | 67 | -179.8 | -159.9 | -16.6 | 0 | 0 | 0 | 112.6 | C39 E346 L347 V348 | C39-N344 PolarHBondContact O-N 3.21Å; N344-E346 VanDerWaalsContact C-N 3.29Å; N344-E346 PolarHBondContact O-N 3.09Å; N344-L347 HydrophobicContact CB-CB 4.17Å; N344-L347 PolarHBondContact O-N 2.65Å; N344-L347 WeakPolarHBondContact OD1-CB 3.41Å; N344-L347 PolarHBondContact OD1-N 2.7Å; N344-V348 PolarHBondContact O-N 3.08Å | ||
| 345 | H | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -37.8 | -179.9 | -64.2 | 89.7 | 0 | 0 | 0 | 113.2 | F343 V348 F349 V351 V353 | F343-H345 WeakPolarHBondContact CB-CE1 3.38Å; F343-H345 PolarHBondContact O-N 2.76Å; H345-V348 PolarHBondContact O-N 2.97Å; H345-F349 HydrophobicContact CB-CD2 4.45Å; H345-F349 WeakPolarHBondContact O-CB 3.43Å; H345-F349 PolarHBondContact O-N 3.49Å; H345-V351 CarbonylContact C-O 3.5Å; H345-V353 HydrophobicContact CB-CG1 4.42Å; H345-V353 HydrophobicContact CB-CG2 4.15Å; H345-V353 WeakPolarHBondContact ND1-CG2 3.24Å |
| 346 | E | 96.2 | Very high | 97 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | -179.9 | -70.8 | 177.2 | -167.2 | 0 | 0 | 111.9 | N344 G350 V351 S352 | N344-E346 VanDerWaalsContact C-N 3.29Å; N344-E346 PolarHBondContact O-N 3.09Å; E346-G350 WeakPolarHBondContact O-CA 3.43Å; E346-G350 PolarHBondContact O-N 3.25Å; E346-V351 WeakPolarHBondContact CA-O 3.48Å; E346-V351 PolarHBondContact N-O 2.88Å; E346-S352 WeakPolarHBondContact OE1-CB 3.26Å; E346-S352 PolarHBondContact OE1-OG 3.38Å |
| 347 | L | 96.5 | Very high | 97 | Very high | 96 Ų | 96 | 52.3 Ų | 52.3 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 176.4 | -179 | 66.5 | 0 | 0 | 0 | 111.7 | R22 N344 | R22-L347 WeakPolarHBondContact CD-O 3.47Å; N344-L347 HydrophobicContact CB-CB 4.17Å; N344-L347 PolarHBondContact O-N 2.65Å; N344-L347 WeakPolarHBondContact OD1-CB 3.41Å; N344-L347 PolarHBondContact OD1-N 2.7Å |
| 348 | V | 97.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -78.3 | -48.4 | -173.7 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | A26 V38 C39 N344 H345 | A26-V348 HydrophobicContact CB-CG1 4.16Å; A26-V348 WeakPolarHBondContact CB-O 3.33Å; V38-V348 HydrophobicContact CG1-CG1 3.96Å; V38-V348 HydrophobicContact CG1-CG2 4.17Å; C39-V348 HydrophobicContact CB-CG2 4.46Å; N344-V348 PolarHBondContact O-N 3.08Å; H345-V348 PolarHBondContact O-N 2.97Å |
| 349 | F | 96.6 | Very high | 97.1 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -104.9 | -10.3 | -172.1 | -59.6 | -67.8 | 0 | 0 | 0 | 114.1 | P35 C39 H345 V351 | P35-F349 HydrophobicContact CB-CZ 3.78Å; C39-F349 WeakPolarHBondContact SG-CE2 3.33Å; H345-F349 HydrophobicContact CB-CD2 4.45Å; H345-F349 WeakPolarHBondContact O-CB 3.43Å; H345-F349 PolarHBondContact O-N 3.49Å; F349-V351 HydrophobicContact CB-CG2 3.76Å; F349-V351 PolarHBondContact O-N 3.18Å |
| 350 | G | 95.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 70 | 15.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E346 | E346-G350 WeakPolarHBondContact O-CA 3.43Å; E346-G350 PolarHBondContact O-N 3.25Å |
| 351 | V | 95.9 | Very high | 97.1 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | trans | -131 | 143.4 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | H345 E346 F349 | H345-V351 CarbonylContact C-O 3.5Å; E346-V351 WeakPolarHBondContact CA-O 3.48Å; E346-V351 PolarHBondContact N-O 2.88Å; F349-V351 HydrophobicContact CB-CG2 3.76Å; F349-V351 PolarHBondContact O-N 3.18Å | ||
| 352 | S | 94.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | trans | -91 | 141.9 | 173.6 | -162.2 | 0 | 0 | 0 | 0 | 110.9 | E346 K354 | E346-S352 WeakPolarHBondContact OE1-CB 3.26Å; E346-S352 PolarHBondContact OE1-OG 3.38Å; S352-K354 PolarHBondContact OG-N 3.47Å | ||
| 353 | V | 94.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -109 | 11.2 | 171.4 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | H345 | H345-V353 HydrophobicContact CB-CG1 4.42Å; H345-V353 HydrophobicContact CB-CG2 4.15Å; H345-V353 WeakPolarHBondContact ND1-CG2 3.24Å |
| 354 | K | 95.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | trans | -106.9 | 11.4 | -175.4 | -62.9 | 179.7 | 177.3 | -179.3 | 0 | 113.6 | M340 N341 S352 | M340-K354 WeakPolarHBondContact O-CE 3.46Å; M340-K354 PolarHBondContact O-NZ 3.02Å; N341-K354 PolarHBondContact OD1-NZ 2.97Å; S352-K354 PolarHBondContact OG-N 3.47Å | ||
| 355 | N | 96.6 | Very high | 97.2 | Very high | 126 Ų | 126 | 65.2 Ų | 65.2 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | trans | -76.7 | -27.4 | -171.6 | -64.9 | -33 | 0 | 0 | 0 | 113.7 | ||||
| 356 | L | 98.1 | Very high | 97.2 | Very high | 69 Ų | 69 | 67.5 Ų | 67.5 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -81.9 | 129.8 | 178.5 | -61.5 | 179.5 | 0 | 0 | 0 | 109.5 | E360 R361 D366 | L356-E360 HydrophobicContact CB-CB 4.24Å; L356-E360 HydrophobicContact CD2-CB 4.17Å; L356-R361 HydrophobicContact CB-CG 3.51Å; L356-R361 HydrophobicContact CD1-CG 4.12Å; L356-R361 HydrophobicContact CG-CG 4.48Å; L356-R361 PolarHBondContact O-NH1 3.21Å; L356-D366 HydrophobicContact CD1-CB 4.27Å |
| 357 | S | 98.6 | Very high | 97.3 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | trans | -66 | 163.3 | 166.9 | 66 | 0 | 0 | 0 | 0 | 111.6 | A359 E360 R361 | S357-A359 PolarHBondContact O-N 3.47Å; S357-E360 WeakPolarHBondContact CB-OE2 3.27Å; S357-E360 PolarHBondContact N-OE2 2.81Å; S357-E360 PolarHBondContact O-N 3Å; S357-E360 VanDerWaalsContact O-N 3.12Å; S357-E360 VanDerWaalsContact OG-CD 3.31Å; S357-E360 WeakPolarHBondContact OG-CG 3.36Å; S357-E360 PolarHBondContact OG-N 3.16Å; S357-E360 PolarHBondContact OG-OE2 3.27Å; S357-R361 WeakPolarHBondContact O-CG 3.37Å; S357-R361 PolarHBondContact O-N 2.9Å | ||
| 358 | K | 98.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.5 | -38.8 | 175.9 | -171.2 | 175.5 | -173.3 | -179.1 | 0 | 113.5 | N271 P273 L362 S414 E415 V417 Y418 | N271-K358 PolarHBondContact OD1-NZ 3.02Å; P273-K358 HydrophobicContact CG-CB 3.93Å; P273-K358 HydrophobicContact CG-CD 4.01Å; P273-K358 HydrophobicContact CG-CG 3.79Å; K358-L362 PolarHBondContact O-N 2.97Å; K358-S414 WeakPolarHBondContact CD-O 3.32Å; K358-S414 PolarHBondContact NZ-O 3.07Å; K358-E415 WeakPolarHBondContact CD-O 3.4Å; K358-E415 WeakPolarHBondContact CE-O 3.18Å; K358-E415 WeakPolarHBondContact CG-O 3.41Å; K358-V417 PolarHBondContact NZ-O 3.19Å; K358-Y418 HydrophobicContact CD-CE1 4.36Å; K358-Y418 VanDerWaalsContact CE-CE1 3.45Å; K358-Y418 HydrophobicContact CG-CE1 4.05Å |
| 359 | A | 98.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P273 S357 R361 L362 I363 | P273-A359 HydrophobicContact CB-CB 4.28Å; P273-A359 HydrophobicContact CG-CB 4.05Å; P273-A359 WeakPolarHBondContact O-CB 3.44Å; S357-A359 PolarHBondContact O-N 3.47Å; A359-R361 PolarHBondContact O-N 2.82Å; A359-L362 PolarHBondContact O-N 3.44Å; A359-I363 WeakPolarHBondContact O-CD1 3.42Å; A359-I363 VanDerWaalsContact O-CG1 3.26Å; A359-I363 WeakPolarHBondContact O-CG1 3.43Å; A359-I363 PolarHBondContact O-N 2.98Å |
| 360 | E | 98.8 | Very high | 97.5 | Very high | 82 Ų | 82 | 57 Ų | 57 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 178.1 | -70 | 162.1 | 139.1 | 0 | 0 | 111.4 | L356 S357 L362 I363 Y364 | L356-E360 HydrophobicContact CB-CB 4.24Å; L356-E360 HydrophobicContact CD2-CB 4.17Å; S357-E360 WeakPolarHBondContact CB-OE2 3.27Å; S357-E360 PolarHBondContact N-OE2 2.81Å; S357-E360 PolarHBondContact O-N 3Å; S357-E360 VanDerWaalsContact O-N 3.12Å; S357-E360 VanDerWaalsContact OG-CD 3.31Å; S357-E360 WeakPolarHBondContact OG-CG 3.36Å; S357-E360 PolarHBondContact OG-N 3.16Å; S357-E360 PolarHBondContact OG-OE2 3.27Å; E360-L362 VanDerWaalsContact C-N 3.31Å; E360-L362 PolarHBondContact O-N 3.18Å; E360-I363 PolarHBondContact O-N 3.37Å; E360-Y364 HydrophobicContact CB-CD2 4.45Å; E360-Y364 WeakPolarHBondContact O-CB 3.46Å; E360-Y364 WeakPolarHBondContact O-CD2 3.26Å; E360-Y364 PolarHBondContact O-N 3.13Å |
| 361 | R | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 176.2 | -64.8 | -173.3 | -56.5 | -98.5 | 7.1 | 112.6 | L356 S357 A359 G365 D366 S367 E415 | L356-R361 HydrophobicContact CB-CG 3.51Å; L356-R361 HydrophobicContact CD1-CG 4.12Å; L356-R361 HydrophobicContact CG-CG 4.48Å; L356-R361 PolarHBondContact O-NH1 3.21Å; S357-R361 WeakPolarHBondContact O-CG 3.37Å; S357-R361 PolarHBondContact O-N 2.9Å; A359-R361 PolarHBondContact O-N 2.82Å; R361-G365 PolarHBondContact O-N 3.37Å; R361-D366 HydrophobicContact CB-CB 4.03Å; R361-D366 VanDerWaalsContact CD-OD2 3.27Å; R361-D366 WeakPolarHBondContact CD-OD2 3.23Å; R361-D366 HydrophobicContact CG-CB 4.19Å; R361-D366 WeakPolarHBondContact CG-OD2 3.46Å; R361-D366 PolarHBondContact O-N 3.43Å; R361-S367 PolarHBondContact O-N 3.34Å; R361-S367 VanDerWaalsContact O-N 3.15Å; R361-E415 IonicContact CZ-OE2 2.95Å; R361-E415 VanDerWaalsContact CZ-OE2 3.24Å; R361-E415 IonicContact NH1-OE2 3.79Å; R361-E415 PolarHBondContact NH1-OE2 3.47Å; R361-E415 PolarHBondContact NH2-O 3.23Å; R361-E415 IonicContact NH2-OE2 3.78Å; R361-E415 PolarHBondContact NH2-OE2 2.92Å |
| 362 | L | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 173.6 | -76.7 | 166.9 | 0 | 0 | 0 | 112.4 | P273 R274 K358 A359 E360 S367 Y418 P447 M448 | P273-L362 HydrophobicContact CG-CD1 4.36Å; R274-L362 HydrophobicContact CG-CB 4.16Å; R274-L362 HydrophobicContact CG-CD1 4.2Å; K358-L362 PolarHBondContact O-N 2.97Å; A359-L362 PolarHBondContact O-N 3.44Å; E360-L362 VanDerWaalsContact C-N 3.31Å; E360-L362 PolarHBondContact O-N 3.18Å; L362-S367 WeakPolarHBondContact CD2-O 3.14Å; L362-Y418 HydrophobicContact CD1-CD1 4.36Å; L362-Y418 HydrophobicContact CD1-CE1 3.8Å; L362-Y418 HydrophobicContact CD2-CD1 4.3Å; L362-Y418 HydrophobicContact CD2-CE1 3.69Å; L362-Y418 HydrophobicContact CG-CE1 3.84Å; L362-P447 HydrophobicContact CD2-CB 4.01Å; L362-P447 HydrophobicContact CD2-CG 4.16Å; L362-M448 HydrophobicContact CD2-SD 4.31Å |
| 363 | I | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 42% | 0.415 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | -176.7 | -68.6 | 163.8 | 0 | 0 | 0 | 111.5 | R274 A359 E360 | R274-I363 HydrophobicContact CG-CD1 4.2Å; R274-I363 HydrophobicContact CG-CG1 3.9Å; A359-I363 WeakPolarHBondContact O-CD1 3.42Å; A359-I363 VanDerWaalsContact O-CG1 3.26Å; A359-I363 WeakPolarHBondContact O-CG1 3.43Å; A359-I363 PolarHBondContact O-N 2.98Å; E360-I363 PolarHBondContact O-N 3.37Å |
| 364 | Y | 98.3 | Very high | 98.1 | Very high | 186 Ų | 186 | 46 Ų | 46 | 73% | 0.729 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 9.1 | -174.3 | -72 | -90.2 | 0 | 0 | 0 | 113.9 | E360 | E360-Y364 HydrophobicContact CB-CD2 4.45Å; E360-Y364 WeakPolarHBondContact O-CB 3.46Å; E360-Y364 WeakPolarHBondContact O-CD2 3.26Å; E360-Y364 PolarHBondContact O-N 3.13Å |
| 365 | G | 97.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 62% | 0.619 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 25.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | R361 | R361-G365 PolarHBondContact O-N 3.37Š|
| 366 | D | 98 | Very high | 98.4 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -88.2 | -32.9 | 177.2 | -179.1 | 74.3 | 0 | 0 | 0 | 112.3 | K329 L356 R361 | K329-D366 WeakPolarHBondContact CE-O 3.48Å; K329-D366 PolarHBondContact NZ-O 3.31Å; L356-D366 HydrophobicContact CD1-CB 4.27Å; R361-D366 HydrophobicContact CB-CB 4.03Å; R361-D366 VanDerWaalsContact CD-OD2 3.27Å; R361-D366 WeakPolarHBondContact CD-OD2 3.23Å; R361-D366 HydrophobicContact CG-CB 4.19Å; R361-D366 WeakPolarHBondContact CG-OD2 3.46Å; R361-D366 PolarHBondContact O-N 3.43Å |
| 367 | S | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -144.8 | 143.1 | -176.3 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | D326 R361 L362 Y418 | D326-S367 PolarHBondContact OD2-OG 3.05Å; D326-S367 VanDerWaalsContact OD2-OG 3.1Å; R361-S367 PolarHBondContact O-N 3.34Å; R361-S367 VanDerWaalsContact O-N 3.15Å; L362-S367 WeakPolarHBondContact CD2-O 3.14Å; S367-Y418 WeakPolarHBondContact CB-OH 3.38Å; S367-Y418 PolarHBondContact OG-OH 3.08Å | ||
| 368 | L | 98 | Very high | 98.5 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | trans | -163.6 | 169 | 177 | 57.3 | 108.2 | 0 | 0 | 0 | 108.4 | D326 T370 P447 S450 | D326-L368 WeakPolarHBondContact CB-O 3.23Å; L368-T370 HydrophobicContact CD1-CG2 4.16Å; L368-T370 PolarHBondContact O-N 3.49Å; L368-P447 HydrophobicContact CB-CB 3.97Å; L368-S450 WeakPolarHBondContact CD1-OG 3.37Å | ||
| 369 | M | 97.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | trans | -69.5 | 121.1 | 179.7 | 177.9 | 166.6 | 65.7 | 0 | 0 | 111.4 | Q145 G324 Y418 E419 S450 L451 | Q145-M369 VanDerWaalsContact NE2-CE 3.31Å; Q145-M369 VanDerWaalsContact OE1-CE 3.29Å; G324-M369 WeakPolarHBondContact CA-SD 3.31Å; M369-Y418 HydrophobicContact CB-CD2 4.14Å; M369-E419 WeakPolarHBondContact CE-OE2 3.4Å; M369-E419 HydrophobicContact SD-CB 3.98Å; M369-E419 VanDerWaalsContact SD-OE2 3.33Å; M369-S450 WeakPolarHBondContact CB-O 3.49Å; M369-S450 WeakPolarHBondContact CE-O 3.42Å; M369-S450 CarbonylContact O-C 3.52Å; M369-S450 VanDerWaalsContact O-C 3.27Å; M369-S450 WeakPolarHBondContact O-CB 3.33Å; M369-S450 VanDerWaalsContact O-O 3.08Å; M369-S450 PolarHBondContact O-OG 2.91Å; M369-L451 HydrophobicContact CE-CB 4.11Å; M369-L451 HydrophobicContact CE-CD1 3.86Å; M369-L451 HydrophobicContact CE-CG 4.26Å; M369-L451 HydrophobicContact CG-CB 4.42Å; M369-L451 HydrophobicContact CG-CD1 4.31Å; M369-L451 HydrophobicContact CG-CG 4.09Å; M369-L451 HydrophobicContact SD-CD1 3.87Å; M369-L451 HydrophobicContact SD-CG 4.3Å | ||
| 370 | T | 98.1 | Very high | 98.4 | Very high | 44 Ų | 44 | 31.4 Ų | 31.4 | 27% | 0.27 | 17% | 0.167 | S | C | . | . | trans | -119.7 | -18.6 | -175.4 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | C325 D326 V327 L368 A452 | C325-T370 PolarHBondContact O-N 3.33Å; D326-T370 WeakPolarHBondContact CA-OG1 3.14Å; D326-T370 PolarHBondContact OD1-OG1 3.19Å; D326-T370 VanDerWaalsContact OD1-OG1 3.11Å; V327-T370 PolarHBondContact N-OG1 3.39Å; L368-T370 HydrophobicContact CD1-CG2 4.16Å; L368-T370 PolarHBondContact O-N 3.49Å; T370-A452 WeakPolarHBondContact O-CA 3.39Å; T370-A452 PolarHBondContact O-N 3.29Å | ||
| 371 | H | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 145.1 | -174.8 | -168.4 | 64.6 | 0 | 0 | 0 | 112.2 | C72 C325 V327 M373 N394 W396 | C72-H371 WeakPolarHBondContact CB-CE1 3.5Å; C72-H371 WeakPolarHBondContact CB-ND1 3.31Å; C72-H371 PolarHBondContact SG-ND1 2.91Å; C72-H371 VanDerWaalsContact SG-ND1 3.37Å; C325-H371 PolarHBondContact N-O 3.32Å; C325-H371 PolarHBondContact O-N 2.77Å; V327-H371 HydrophobicContact CB-CB 3.84Å; V327-H371 HydrophobicContact CG1-CB 3.41Å; V327-H371 VanDerWaalsContact CG1-CB 3.41Å; H371-M373 VanDerWaalsContact CD2-CG 3.4Å; H371-M373 WeakPolarHBondContact CD2-CG 3.31Å; H371-N394 PolarHBondContact NE2-OD1 3.22Å; H371-W396 AromaticContact CD2-CZ2 3.83Å; H371-W396 AromaticContact CE1-CE2 3.67Å; H371-W396 AromaticContact CE1-CZ2 3.64Å; H371-W396 AromaticContact CE1-NE1 3.35Å; H371-W396 PolarHBondContact CE1-NE1 3.43Å; H371-W396 VanDerWaalsContact CE1-NE1 3.35Å; H371-W396 AromaticContact NE2-CE2 3.68Å; H371-W396 AromaticContact NE2-CZ2 3.5Å; H371-W396 WeakPolarHBondContact NE2-CZ2 3.29Å; H371-W396 AromaticContact NE2-NE1 3.74Å |
| 372 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C72 W73 S76 W322 F323 L451 | C72-A372 PolarHBondContact SG-N 2.82Å; C72-A372 VanDerWaalsContact SG-N 3.38Å; W73-A372 HydrophobicContact CB-CB 4.27Å; S76-A372 VanDerWaalsContact OG-C 3.22Å; S76-A372 PolarHBondContact OG-O 2.91Å; W322-A372 HydrophobicContact CH2-CB 4.27Å; W322-A372 HydrophobicContact CZ2-CB 3.46Å; W322-A372 VanDerWaalsContact CZ2-CB 3.46Å; F323-A372 CarbonylContact O-C 3.24Å; F323-A372 WeakPolarHBondContact O-CA 3.05Å; A372-L451 HydrophobicContact CB-CD1 4.11Å; A372-L451 HydrophobicContact CB-CD2 4Å |
| 373 | M | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -174.5 | 178.6 | -65.4 | -180 | -73.8 | 0 | 0 | 109.7 | S76 F323 C325 V327 H371 V392 N394 L406 | S76-M373 WeakPolarHBondContact OG-CA 3.19Å; S76-M373 PolarHBondContact OG-N 2.89Å; F323-M373 HydrophobicContact CD1-CB 4.27Å; F323-M373 WeakPolarHBondContact CD1-O 3.13Å; F323-M373 HydrophobicContact CE1-CB 3.53Å; F323-M373 HydrophobicContact CE2-CE 4.12Å; F323-M373 HydrophobicContact CZ-CB 3.79Å; F323-M373 HydrophobicContact CZ-CE 3.73Å; F323-M373 PolarHBondContact N-O 2.92Å; F323-M373 PolarHBondContact O-N 3.27Å; C325-M373 WeakPolarHBondContact SG-CE 3.16Å; V327-M373 HydrophobicContact CB-CE 4.23Å; V327-M373 HydrophobicContact CG2-CE 3.69Å; V327-M373 HydrophobicContact CG2-SD 4.22Å; H371-M373 VanDerWaalsContact CD2-CG 3.4Å; H371-M373 WeakPolarHBondContact CD2-CG 3.31Å; M373-V392 HydrophobicContact CB-CG1 3.53Å; M373-V392 HydrophobicContact CE-CG1 4Å; M373-V392 HydrophobicContact CG-CG1 4.08Å; M373-V392 HydrophobicContact SD-CG1 3.52Å; M373-V392 VanDerWaalsContact SD-CG1 3.52Å; M373-N394 HydrophobicContact SD-CB 4.05Å; M373-N394 VanDerWaalsContact SD-CG 3.59Å; M373-L406 HydrophobicContact CE-CD1 4.19Å; M373-L406 HydrophobicContact SD-CD1 3.56Å; M373-L406 VanDerWaalsContact SD-CD1 3.56Å |
| 374 | I | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.4 | 172 | 69.6 | 162.1 | 0 | 0 | 0 | 112.3 | S76 N79 V80 A320 V321 T376 V392 E393 | S76-I374 WeakPolarHBondContact O-CG2 3.18Å; N79-I374 HydrophobicContact CB-CD1 3.89Å; N79-I374 HydrophobicContact CB-CG1 4.46Å; N79-I374 HydrophobicContact CB-CG2 4.3Å; V80-I374 HydrophobicContact CG2-CB 4.13Å; V80-I374 HydrophobicContact CG2-CG2 3.47Å; V80-I374 VanDerWaalsContact CG2-CG2 3.47Å; A320-I374 HydrophobicContact CB-CD1 4.09Å; V321-I374 CarbonylContact O-C 3.58Å; V321-I374 WeakPolarHBondContact O-CA 3.16Å; I374-T376 HydrophobicContact CD1-CG2 3.82Å; I374-T376 HydrophobicContact CG1-CG2 4.06Å; I374-V392 CarbonylContact O-C 3.48Å; I374-V392 VanDerWaalsContact O-CA 3.26Å; I374-V392 WeakPolarHBondContact O-CA 3.42Å; I374-E393 HydrophobicContact CD1-CB 3.93Å; I374-E393 HydrophobicContact CG1-CB 3.52Å; I374-E393 HydrophobicContact CG1-CG 4.41Å; I374-E393 PolarHBondContact N-O 2.71Å; I374-E393 PolarHBondContact O-N 2.96Å |
| 375 | L | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.9 | 170.8 | -51.3 | 171.1 | 0 | 0 | 0 | 109.6 | A311 I315 A320 V321 F323 W390 R391 V392 M408 F413 | A311-L375 HydrophobicContact CB-CD1 3.95Å; I315-L375 HydrophobicContact CD1-CB 3.82Å; A320-L375 WeakPolarHBondContact CA-O 3.42Å; A320-L375 WeakPolarHBondContact CB-O 3.41Å; V321-L375 HydrophobicContact CB-CB 4.14Å; V321-L375 HydrophobicContact CB-CD1 4.18Å; V321-L375 HydrophobicContact CB-CG 4.39Å; V321-L375 HydrophobicContact CG1-CD1 4.23Å; V321-L375 PolarHBondContact N-O 3.07Å; V321-L375 VanDerWaalsContact N-O 3.13Å; V321-L375 PolarHBondContact O-N 2.87Å; F323-L375 HydrophobicContact CD1-CD1 4.36Å; F323-L375 HydrophobicContact CD1-CD2 3.68Å; F323-L375 HydrophobicContact CD1-CG 3.57Å; F323-L375 HydrophobicContact CE1-CD2 3.38Å; F323-L375 HydrophobicContact CE1-CG 3.8Å; F323-L375 HydrophobicContact CG-CD2 4.35Å; F323-L375 HydrophobicContact CG-CG 4.25Å; F323-L375 HydrophobicContact CZ-CD2 3.86Å; L375-W390 HydrophobicContact CD1-CE3 4.16Å; L375-W390 HydrophobicContact CD1-CZ3 4.48Å; L375-W390 HydrophobicContact CD2-CB 4.26Å; L375-R391 WeakPolarHBondContact CA-O 3.26Å; L375-V392 HydrophobicContact CD2-CG2 3.98Å; L375-M408 HydrophobicContact CD2-CE 3.5Å; L375-F413 HydrophobicContact CD1-CE2 3.88Å |
| 376 | T | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -15.7 | -177.6 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | S55 I56 E59 I374 R391 E393 Y405 | S55-T376 WeakPolarHBondContact CA-O 3.38Å; I56-T376 HydrophobicContact CD1-CG2 3.88Å; I56-T376 WeakPolarHBondContact CG1-O 3.37Å; I56-T376 PolarHBondContact N-O 3.37Å; E59-T376 WeakPolarHBondContact OE1-CB 3.44Å; E59-T376 PolarHBondContact OE1-OG1 3.13Å; I374-T376 HydrophobicContact CD1-CG2 3.82Å; I374-T376 HydrophobicContact CG1-CG2 4.06Å; T376-R391 PolarHBondContact N-O 2.75Å; T376-R391 WeakPolarHBondContact OG1-CD 3.4Å; T376-R391 WeakPolarHBondContact OG1-CG 3.33Å; T376-E393 HydrophobicContact CG2-CB 4.07Å; T376-Y405 HydrophobicContact CG2-CE1 4.43Å |
| 377 | A | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 158.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F52 H54 W390 R391 | F52-A377 HydrophobicContact CB-CB 3.54Å; F52-A377 HydrophobicContact CD1-CB 4.35Å; F52-A377 HydrophobicContact CD2-CB 4.27Å; F52-A377 HydrophobicContact CG-CB 3.8Å; H54-A377 CarbonylContact O-C 3.42Å; H54-A377 WeakPolarHBondContact O-CA 3.43Å; H54-A377 WeakPolarHBondContact O-CB 3.41Å; A377-W390 CarbonylContact O-C 3.48Å; A377-W390 WeakPolarHBondContact O-CA 3.39Å; A377-R391 HydrophobicContact CB-CB 3.56Å; A377-R391 HydrophobicContact CB-CG 4.44Å; A377-R391 PolarHBondContact O-N 2.84Å |
| 378 | V | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.6 | 177.8 | 65 | 0 | 0 | 0 | 0 | 110.6 | Q53 H54 A312 I315 Y387 K389 W390 | Q53-V378 PolarHBondContact N-O 3.24Å; H54-V378 HydrophobicContact CB-CG1 4.08Å; H54-V378 PolarHBondContact N-O 3.39Å; H54-V378 PolarHBondContact O-N 2.78Å; A312-V378 HydrophobicContact CB-CG1 4.23Å; I315-V378 HydrophobicContact CB-CG1 4.5Å; I315-V378 HydrophobicContact CD1-CB 4.3Å; I315-V378 HydrophobicContact CD1-CG1 4.48Å; I315-V378 HydrophobicContact CG2-CG1 4.17Å; V378-Y387 HydrophobicContact CG2-CD1 3.5Å; V378-Y387 HydrophobicContact CG2-CE1 4.19Å; V378-Y387 HydrophobicContact CG2-CG 3.99Å; V378-K389 WeakPolarHBondContact CA-O 3.45Å; V378-W390 HydrophobicContact CB-CD2 4.47Å; V378-W390 HydrophobicContact CB-CE3 3.8Å; V378-W390 HydrophobicContact CB-CZ3 3.88Å; V378-W390 HydrophobicContact CG2-CD2 3.91Å; V378-W390 HydrophobicContact CG2-CE3 3.57Å; V378-W390 HydrophobicContact CG2-CH2 3.77Å; V378-W390 HydrophobicContact CG2-CZ2 4.1Å; V378-W390 HydrophobicContact CG2-CZ3 3.51Å |
| 379 | T | 98.5 | Very high | 94.1 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.9 | 170.8 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | F52 Q53 Y387 E388 K389 | F52-T379 WeakPolarHBondContact CA-OG1 3.38Å; Q53-T379 HydrophobicContact CB-CG2 4.13Å; Q53-T379 PolarHBondContact N-OG1 2.96Å; T379-Y387 WeakPolarHBondContact O-CA 3.43Å; T379-E388 HydrophobicContact CG2-CB 4.41Å; T379-E388 PolarHBondContact O-N 3.13Å; T379-K389 PolarHBondContact N-O 2.98Å |
| 380 | D | 96.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 154.1 | 177.1 | -66.4 | -27.6 | 0 | 0 | 0 | 110 | H54 K316 G382 Y387 | H54-D380 IonicContact CD2-OD2 3.21Å; H54-D380 IonicContact NE2-OD2 3.44Å; H54-D380 PolarHBondContact NE2-OD2 3.28Å; K316-D380 VanDerWaalsContact NZ-CG 3.26Å; K316-D380 IonicContact NZ-OD1 3.02Å; K316-D380 PolarHBondContact NZ-OD1 3.14Å; K316-D380 IonicContact NZ-OD2 2.85Å; K316-D380 PolarHBondContact NZ-OD2 2.95Å; D380-G382 PolarHBondContact O-N 3.41Å; D380-Y387 WeakPolarHBondContact OD1-CD1 3.44Å; D380-Y387 WeakPolarHBondContact OD1-CE1 3.33Å |
| 381 | K | 93.4 | Very high | 94.2 | Very high | 103 Ų | 103 | 40.7 Ų | 40.7 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | trans | -76.7 | 117.5 | 174.9 | -164.9 | 170.4 | -171.8 | 165.8 | 0 | 110.3 | G383 K384 G386 E388 | K381-G383 PolarHBondContact O-N 2.97Å; K381-K384 HydrophobicContact CD-CB 4.45Å; K381-K384 HydrophobicContact CG-CB 4.36Å; K381-K384 PolarHBondContact O-N 3.48Å; K381-G386 WeakPolarHBondContact CB-O 3.47Å; K381-G386 PolarHBondContact N-O 2.83Å; K381-E388 HydrophobicContact CB-CG 4.16Å; K381-E388 HydrophobicContact CG-CG 4.24Å | ||
| 382 | G | 83.3 | Confident | 94.2 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 67% | 0.67 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 110.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D380 K384 E388 | D380-G382 PolarHBondContact O-N 3.41Å; G382-K384 VanDerWaalsContact C-N 3.3Å; G382-K384 PolarHBondContact O-N 2.91Å; G382-E388 PolarHBondContact N-OE1 3.25Å |
| 383 | G | 71.6 | Confident | 94.2 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 93% | 0.928 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 14.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K381 | K381-G383 PolarHBondContact O-N 2.97Š|
| 384 | K | 76.4 | Confident | 94.2 | Very high | 157 Ų | 157 | 40.4 Ų | 40.4 | 68% | 0.683 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -137.8 | 161.9 | 179.4 | -66 | -177.1 | -178.8 | 178.4 | 0 | 111.2 | K381 G382 | K381-K384 HydrophobicContact CD-CB 4.45Å; K381-K384 HydrophobicContact CG-CB 4.36Å; K381-K384 PolarHBondContact O-N 3.48Å; G382-K384 VanDerWaalsContact C-N 3.3Å; G382-K384 PolarHBondContact O-N 2.91Å |
| 385 | E | 85 | Confident | 94.2 | Very high | 170 Ų | 170 | 40.4 Ų | 40.4 | 79% | 0.794 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -69 | 139.4 | 168.6 | -164.5 | 177.8 | 177.6 | 0 | 0 | 110.4 | ||
| 386 | G | 92.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 110.5 | -175.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K381 | K381-G386 WeakPolarHBondContact CB-O 3.47Å; K381-G386 PolarHBondContact N-O 2.83Å |
| 387 | Y | 97.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 160.5 | -171.7 | -49.9 | -76.3 | 0 | 0 | 0 | 110.9 | K308 N309 A312 V378 T379 D380 W390 D410 | K308-Y387 HydrophobicContact CB-CD2 3.97Å; K308-Y387 HydrophobicContact CB-CE2 3.76Å; K308-Y387 HydrophobicContact CD-CD2 4.48Å; N309-Y387 WeakPolarHBondContact CA-OH 3.3Å; N309-Y387 PolarHBondContact OD1-OH 2.89Å; A312-Y387 HydrophobicContact CB-CD1 4.28Å; A312-Y387 HydrophobicContact CB-CE1 3.38Å; A312-Y387 HydrophobicContact CB-CE2 4.29Å; A312-Y387 VanDerWaalsContact CB-OH 3.29Å; A312-Y387 WeakPolarHBondContact CB-OH 3.47Å; V378-Y387 HydrophobicContact CG2-CD1 3.5Å; V378-Y387 HydrophobicContact CG2-CE1 4.19Å; V378-Y387 HydrophobicContact CG2-CG 3.99Å; T379-Y387 WeakPolarHBondContact O-CA 3.43Å; D380-Y387 WeakPolarHBondContact OD1-CD1 3.44Å; D380-Y387 WeakPolarHBondContact OD1-CE1 3.33Å; Y387-W390 HydrophobicContact CD1-CH2 4.35Å; Y387-W390 HydrophobicContact CD1-CZ2 4.37Å; Y387-W390 AromaticContact CD2-CH2 3.85Å; Y387-W390 HydrophobicContact CD2-CH2 3.85Å; Y387-W390 AromaticContact CD2-CZ2 3.46Å; Y387-W390 HydrophobicContact CD2-CZ2 3.46Å; Y387-W390 VanDerWaalsContact CD2-CZ2 3.46Å; Y387-W390 HydrophobicContact CE2-CH2 4.1Å; Y387-W390 HydrophobicContact CE2-CZ2 4.14Å; Y387-W390 AromaticContact CG-CH2 3.98Å; Y387-W390 HydrophobicContact CG-CH2 3.98Å; Y387-W390 AromaticContact CG-CZ2 3.6Å; Y387-W390 HydrophobicContact CG-CZ2 3.6Å; Y387-D410 WeakPolarHBondContact O-CB 3.37Å |
| 388 | E | 97.4 | Very high | 93.9 | Very high | 95 Ų | 95 | 46.8 Ų | 46.8 | 44% | 0.444 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -47.1 | 176.6 | -64.9 | -178.3 | 175.8 | 0 | 0 | 111.5 | T379 K381 G382 D410 | T379-E388 HydrophobicContact CG2-CB 4.41Å; T379-E388 PolarHBondContact O-N 3.13Å; K381-E388 HydrophobicContact CB-CG 4.16Å; K381-E388 HydrophobicContact CG-CG 4.24Å; G382-E388 PolarHBondContact N-OE1 3.25Å; E388-D410 PolarHBondContact O-N 2.87Å |
| 389 | K | 98.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 159.1 | -171.9 | 57.8 | 178 | 175.1 | -176 | 0 | 112.7 | V49 I51 F52 V378 T379 I407 M408 | V49-K389 PolarHBondContact O-NZ 2.78Å; I51-K389 WeakPolarHBondContact O-CE 3.47Å; I51-K389 PolarHBondContact O-NZ 3Å; F52-K389 HydrophobicContact CD1-CD 4.32Å; F52-K389 HydrophobicContact CD1-CG 4.14Å; F52-K389 HydrophobicContact CE1-CB 4.41Å; F52-K389 HydrophobicContact CE1-CD 4.05Å; F52-K389 HydrophobicContact CE1-CG 4.04Å; V378-K389 WeakPolarHBondContact CA-O 3.45Å; T379-K389 PolarHBondContact N-O 2.98Å; K389-I407 HydrophobicContact CB-CD1 4.38Å; K389-I407 HydrophobicContact CB-CG1 4.29Å; K389-I407 HydrophobicContact CD-CD1 3.54Å; K389-I407 HydrophobicContact CD-CG1 4.28Å; K389-M408 CarbonylContact C-O 3.5Å; K389-M408 VanDerWaalsContact CA-O 3.26Å; K389-M408 WeakPolarHBondContact CA-O 3.42Å |
| 390 | W | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.1 | -174.2 | -52 | 84.4 | 0 | 0 | 0 | 109.7 | F52 K308 A311 A312 I315 L375 A377 V378 Y387 M408 D410 F413 | F52-W390 WeakPolarHBondContact CE1-O 3.4Å; K308-W390 HydrophobicContact CB-CH2 4.15Å; K308-W390 HydrophobicContact CB-CZ2 3.97Å; K308-W390 HydrophobicContact CG-CZ2 4.01Å; K308-W390 WeakPolarHBondContact O-CH2 3.4Å; A311-W390 HydrophobicContact CB-CZ3 4.18Å; A312-W390 HydrophobicContact CB-CH2 4.01Å; A312-W390 HydrophobicContact CB-CZ3 4.17Å; I315-W390 HydrophobicContact CD1-CE3 4.24Å; I315-W390 HydrophobicContact CD1-CZ3 4.23Å; L375-W390 HydrophobicContact CD1-CE3 4.16Å; L375-W390 HydrophobicContact CD1-CZ3 4.48Å; L375-W390 HydrophobicContact CD2-CB 4.26Å; A377-W390 CarbonylContact O-C 3.48Å; A377-W390 WeakPolarHBondContact O-CA 3.39Å; V378-W390 HydrophobicContact CB-CD2 4.47Å; V378-W390 HydrophobicContact CB-CE3 3.8Å; V378-W390 HydrophobicContact CB-CZ3 3.88Å; V378-W390 HydrophobicContact CG2-CD2 3.91Å; V378-W390 HydrophobicContact CG2-CE3 3.57Å; V378-W390 HydrophobicContact CG2-CH2 3.77Å; V378-W390 HydrophobicContact CG2-CZ2 4.1Å; V378-W390 HydrophobicContact CG2-CZ3 3.51Å; Y387-W390 HydrophobicContact CD1-CH2 4.35Å; Y387-W390 HydrophobicContact CD1-CZ2 4.37Å; Y387-W390 AromaticContact CD2-CH2 3.85Å; Y387-W390 HydrophobicContact CD2-CH2 3.85Å; Y387-W390 AromaticContact CD2-CZ2 3.46Å; Y387-W390 HydrophobicContact CD2-CZ2 3.46Å; Y387-W390 VanDerWaalsContact CD2-CZ2 3.46Å; Y387-W390 HydrophobicContact CE2-CH2 4.1Å; Y387-W390 HydrophobicContact CE2-CZ2 4.14Å; Y387-W390 AromaticContact CG-CH2 3.98Å; Y387-W390 HydrophobicContact CG-CH2 3.98Å; Y387-W390 AromaticContact CG-CZ2 3.6Å; Y387-W390 HydrophobicContact CG-CZ2 3.6Å; W390-M408 HydrophobicContact CB-CB 4.28Å; W390-M408 HydrophobicContact CB-CE 3.59Å; W390-M408 HydrophobicContact CG-CE 3.78Å; W390-M408 PolarHBondContact N-O 2.96Å; W390-M408 PolarHBondContact O-N 2.92Å; W390-D410 PolarHBondContact NE1-OD1 3.48Å; W390-F413 AromaticContact CD1-CD2 3.88Å; W390-F413 AromaticContact CD2-CD2 3.86Å; W390-F413 HydrophobicContact CD2-CD2 3.86Å; W390-F413 HydrophobicContact CD2-CE2 4.14Å; W390-F413 AromaticContact CE2-CD2 3.57Å; W390-F413 AromaticContact CE2-CE2 4Å; W390-F413 HydrophobicContact CE3-CE2 4.34Å; W390-F413 HydrophobicContact CG-CD2 4.07Å; W390-F413 HydrophobicContact CH2-CE2 4.33Å; W390-F413 HydrophobicContact CZ2-CD2 4.02Å; W390-F413 HydrophobicContact CZ2-CE2 4.11Å; W390-F413 HydrophobicContact CZ3-CE2 4.43Å; W390-F413 AromaticContact NE1-CD2 3.59Å |
| 391 | R | 98.8 | Very high | 93.2 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.4 | 172 | -172.1 | 174.8 | 170.3 | 72.9 | -3.6 | 109.3 | F52 E59 L375 T376 A377 Y405 | F52-R391 HydrophobicContact CD1-CB 3.94Å; F52-R391 HydrophobicContact CD2-CB 3.76Å; F52-R391 HydrophobicContact CD2-CG 4.05Å; F52-R391 HydrophobicContact CE1-CB 3.73Å; F52-R391 HydrophobicContact CE2-CB 3.53Å; F52-R391 HydrophobicContact CE2-CG 3.61Å; F52-R391 HydrophobicContact CG-CB 3.97Å; F52-R391 HydrophobicContact CZ-CB 3.51Å; F52-R391 HydrophobicContact CZ-CG 3.93Å; E59-R391 WeakPolarHBondContact OE1-CD 3.47Å; E59-R391 IonicContact OE1-CZ 3.72Å; E59-R391 IonicContact OE1-NE 2.84Å; E59-R391 PolarHBondContact OE1-NE 3.13Å; E59-R391 IonicContact OE1-NH2 3.62Å; E59-R391 IonicContact OE2-CZ 3.74Å; E59-R391 IonicContact OE2-NE 2.76Å; E59-R391 PolarHBondContact OE2-NE 2.78Å; E59-R391 IonicContact OE2-NH2 3.56Å; E59-R391 PolarHBondContact OE2-NH2 2.68Å; L375-R391 WeakPolarHBondContact CA-O 3.26Å; T376-R391 PolarHBondContact N-O 2.75Å; T376-R391 WeakPolarHBondContact OG1-CD 3.4Å; T376-R391 WeakPolarHBondContact OG1-CG 3.33Å; A377-R391 HydrophobicContact CB-CB 3.56Å; A377-R391 HydrophobicContact CB-CG 4.44Å; A377-R391 PolarHBondContact O-N 2.84Å; R391-Y405 HydrophobicContact CG-CD1 4.09Å; R391-Y405 VanDerWaalsContact CZ-CD1 3.43Å; R391-Y405 VanDerWaalsContact CZ-CG 3.4Å |
| 392 | V | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.2 | -175.7 | -180 | 0 | 0 | 0 | 0 | 109.4 | F323 M373 I374 L375 Y405 L406 M408 | F323-V392 HydrophobicContact CE1-CG1 3.82Å; F323-V392 HydrophobicContact CE1-CG2 4.19Å; F323-V392 HydrophobicContact CZ-CG1 3.81Å; F323-V392 HydrophobicContact CZ-CG2 3.91Å; M373-V392 HydrophobicContact CB-CG1 3.53Å; M373-V392 HydrophobicContact CE-CG1 4Å; M373-V392 HydrophobicContact CG-CG1 4.08Å; M373-V392 HydrophobicContact SD-CG1 3.52Å; M373-V392 VanDerWaalsContact SD-CG1 3.52Å; I374-V392 CarbonylContact O-C 3.48Å; I374-V392 VanDerWaalsContact O-CA 3.26Å; I374-V392 WeakPolarHBondContact O-CA 3.42Å; L375-V392 HydrophobicContact CD2-CG2 3.98Å; V392-Y405 CarbonylContact O-C 3.5Å; V392-Y405 WeakPolarHBondContact O-CA 3.29Å; V392-Y405 WeakPolarHBondContact O-CB 3.39Å; V392-Y405 WeakPolarHBondContact O-CD1 3.2Å; V392-L406 HydrophobicContact CB-CB 4.02Å; V392-L406 HydrophobicContact CB-CG 4.37Å; V392-L406 HydrophobicContact CG1-CD1 4.24Å; V392-L406 HydrophobicContact CG1-CG 4.42Å; V392-L406 PolarHBondContact N-O 3.26Å; V392-L406 PolarHBondContact O-N 3.39Å; V392-M408 HydrophobicContact CG2-CB 3.95Å; V392-M408 HydrophobicContact CG2-CE 4.17Å; V392-M408 HydrophobicContact CG2-SD 4.39Å |
| 393 | E | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.5 | 163.8 | -170.9 | 179.7 | 140.5 | 0 | 0 | 108.5 | I63 N79 R82 I374 T376 Y405 | I63-E393 HydrophobicContact CD1-CG 4.36Å; N79-E393 PolarHBondContact ND2-OE1 2.85Å; R82-E393 IonicContact CZ-OE1 3.74Å; R82-E393 IonicContact NH2-OE1 3.67Å; R82-E393 PolarHBondContact NH2-OE1 3.19Å; I374-E393 HydrophobicContact CD1-CB 3.93Å; I374-E393 HydrophobicContact CG1-CB 3.52Å; I374-E393 HydrophobicContact CG1-CG 4.41Å; I374-E393 PolarHBondContact N-O 2.71Å; I374-E393 PolarHBondContact O-N 2.96Å; T376-E393 HydrophobicContact CG2-CB 4.07Å; E393-Y405 HydrophobicContact CB-CD1 3.89Å; E393-Y405 HydrophobicContact CB-CE1 3.42Å; E393-Y405 VanDerWaalsContact CB-CE1 3.42Å; E393-Y405 HydrophobicContact CG-CD1 4.34Å; E393-Y405 HydrophobicContact CG-CE1 3.66Å; E393-Y405 PolarHBondContact OE2-OH 3.2Å; E393-Y405 VanDerWaalsContact OE2-OH 3.05Å |
| 394 | N | 98.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | trans | -104.9 | 170 | 176.6 | -160.6 | -1.1 | 0 | 0 | 0 | 110.9 | H371 M373 W396 G404 L406 | H371-N394 PolarHBondContact NE2-OD1 3.22Å; M373-N394 HydrophobicContact SD-CB 4.05Å; M373-N394 VanDerWaalsContact SD-CG 3.59Å; N394-W396 WeakPolarHBondContact ND2-CZ3 3.35Å; N394-G404 WeakPolarHBondContact CB-O 3.29Å; N394-G404 PolarHBondContact N-O 3.27Å; N394-G404 VanDerWaalsContact N-O 3.11Å; N394-L406 HydrophobicContact CB-CD1 4.36Å; N394-L406 HydrophobicContact CB-CG 4.31Å | ||
| 395 | S | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -114.7 | 38 | -176.5 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | T64 N65 Q66 | T64-S395 CarbonylContact O-C 3.52Å; T64-S395 WeakPolarHBondContact O-CA 3.39Å; N65-S395 CarbonylContact C-O 3.57Å; N65-S395 VanDerWaalsContact CA-O 3.27Å; N65-S395 WeakPolarHBondContact CA-O 3.47Å; Q66-S395 PolarHBondContact N-O 3.05Å; Q66-S395 PolarHBondContact OE1-OG 3.38Å |
| 396 | W | 98.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 16% | 0.159 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 17.4 | -179.2 | -61 | -22.4 | 0 | 0 | 0 | 114.1 | T64 N65 V327 F331 H371 N394 | T64-W396 PolarHBondContact O-N 2.9Å; N65-W396 VanDerWaalsContact CG-C 3.45Å; N65-W396 PolarHBondContact ND2-O 3.11Å; V327-W396 HydrophobicContact CG1-CH2 3.98Å; V327-W396 HydrophobicContact CG1-CZ2 4.25Å; V327-W396 HydrophobicContact CG2-CH2 3.87Å; F331-W396 HydrophobicContact CE1-CH2 4.06Å; F331-W396 AromaticContact CE1-CZ3 3.66Å; F331-W396 HydrophobicContact CE1-CZ3 3.66Å; F331-W396 HydrophobicContact CZ-CH2 4.46Å; F331-W396 AromaticContact CZ-CZ3 3.77Å; F331-W396 HydrophobicContact CZ-CZ3 3.77Å; H371-W396 AromaticContact CD2-CZ2 3.83Å; H371-W396 AromaticContact CE1-CE2 3.67Å; H371-W396 AromaticContact CE1-CZ2 3.64Å; H371-W396 AromaticContact CE1-NE1 3.35Å; H371-W396 PolarHBondContact CE1-NE1 3.43Å; H371-W396 VanDerWaalsContact CE1-NE1 3.35Å; H371-W396 AromaticContact NE2-CE2 3.68Å; H371-W396 AromaticContact NE2-CZ2 3.5Å; H371-W396 WeakPolarHBondContact NE2-CZ2 3.29Å; H371-W396 AromaticContact NE2-NE1 3.74Å; N394-W396 WeakPolarHBondContact ND2-CZ3 3.35Å |
| 397 | G | 97.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | 81.3 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T64 G404 | T64-G397 PolarHBondContact O-N 2.83Å; G397-G404 VanDerWaalsContact O-CA 3.26Å; G397-G404 WeakPolarHBondContact O-CA 3.33Å | ||
| 398 | D | 95.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -5.7 | -172.9 | 62.2 | -25.4 | 0 | 0 | 0 | 114.5 | I63 R400 K403 | I63-D398 HydrophobicContact CB-CB 4.23Å; I63-D398 HydrophobicContact CG1-CB 4.34Å; I63-D398 HydrophobicContact CG2-CB 4.44Å; D398-R400 VanDerWaalsContact C-N 3.27Å; D398-R400 PolarHBondContact O-N 3Å; D398-K403 WeakPolarHBondContact O-CA 3.5Å |
| 399 | D | 94.3 | Very high | 97.2 | Very high | 155 Ų | 155 | 36.5 Ų | 36.5 | 83% | 0.829 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.2 | 174.2 | -68.3 | -37.1 | 0 | 0 | 0 | 113.7 | ||
| 400 | R | 90.4 | Very high | 97.2 | Very high | 123 Ų | 123 | 35.6 Ų | 35.6 | 46% | 0.464 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -109.1 | 150.9 | -178.3 | -63.5 | -168 | -176.9 | -175.4 | -1.4 | 112 | D398 G404 | D398-R400 VanDerWaalsContact C-N 3.27Å; D398-R400 PolarHBondContact O-N 3Å; R400-G404 WeakPolarHBondContact O-CA 3.43Å; R400-G404 PolarHBondContact O-N 3.36Å |
| 401 | G | 94 | Very high | 97.2 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -138.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | S333 K334 K403 | S333-G401 PolarHBondContact O-N 2.85Å; K334-G401 PolarHBondContact O-N 3.34Å; G401-K403 PolarHBondContact O-N 3.39Å |
| 402 | N | 95.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 35% | 0.348 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -97.2 | 83.5 | 173.6 | -173.4 | -1.3 | 0 | 0 | 0 | 110.1 | H50 G404 Y405 | H50-N402 WeakPolarHBondContact CB-ND2 3.27Å; N402-G404 VanDerWaalsContact C-N 3.34Å; N402-G404 PolarHBondContact O-N 2.95Å; N402-Y405 PolarHBondContact N-O 3.04Å; N402-Y405 WeakPolarHBondContact O-CB 3.43Å; N402-Y405 PolarHBondContact O-N 3.5Å; N402-Y405 VanDerWaalsContact O-N 3.08Å |
| 403 | K | 96.3 | Very high | 97.2 | Very high | 144 Ų | 144 | 38.6 Ų | 38.6 | 63% | 0.626 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 45.9 | -178.4 | -59.7 | -59.7 | -174.3 | -178.6 | 0 | 113 | D398 G401 Y405 | D398-K403 WeakPolarHBondContact O-CA 3.5Å; G401-K403 PolarHBondContact O-N 3.39Å; K403-Y405 VanDerWaalsContact C-N 3.3Å; K403-Y405 WeakPolarHBondContact O-CD2 3.29Å; K403-Y405 PolarHBondContact O-N 2.92Å |
| 404 | G | 96.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -6.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N394 G397 R400 N402 | N394-G404 WeakPolarHBondContact CB-O 3.29Å; N394-G404 PolarHBondContact N-O 3.27Å; N394-G404 VanDerWaalsContact N-O 3.11Å; G397-G404 VanDerWaalsContact O-CA 3.26Å; G397-G404 WeakPolarHBondContact O-CA 3.33Å; R400-G404 WeakPolarHBondContact O-CA 3.43Å; R400-G404 PolarHBondContact O-N 3.36Å; N402-G404 VanDerWaalsContact C-N 3.34Å; N402-G404 PolarHBondContact O-N 2.95Å |
| 405 | Y | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 150.9 | 178.1 | -66.3 | -95.4 | 0 | 0 | 0 | 112.9 | E59 I63 T376 R391 V392 E393 N402 K403 | E59-Y405 WeakPolarHBondContact CB-OH 3.39Å; E59-Y405 VanDerWaalsContact OE1-CE1 3.22Å; E59-Y405 WeakPolarHBondContact OE1-CE1 3.37Å; I63-Y405 HydrophobicContact CD1-CD2 4.17Å; I63-Y405 HydrophobicContact CD1-CE2 3.37Å; T376-Y405 HydrophobicContact CG2-CE1 4.43Å; R391-Y405 HydrophobicContact CG-CD1 4.09Å; R391-Y405 VanDerWaalsContact CZ-CD1 3.43Å; R391-Y405 VanDerWaalsContact CZ-CG 3.4Å; V392-Y405 CarbonylContact O-C 3.5Å; V392-Y405 WeakPolarHBondContact O-CA 3.29Å; V392-Y405 WeakPolarHBondContact O-CB 3.39Å; V392-Y405 WeakPolarHBondContact O-CD1 3.2Å; E393-Y405 HydrophobicContact CB-CD1 3.89Å; E393-Y405 HydrophobicContact CB-CE1 3.42Å; E393-Y405 VanDerWaalsContact CB-CE1 3.42Å; E393-Y405 HydrophobicContact CG-CD1 4.34Å; E393-Y405 HydrophobicContact CG-CE1 3.66Å; E393-Y405 PolarHBondContact OE2-OH 3.2Å; E393-Y405 VanDerWaalsContact OE2-OH 3.05Å; N402-Y405 PolarHBondContact N-O 3.04Å; N402-Y405 WeakPolarHBondContact O-CB 3.43Å; N402-Y405 PolarHBondContact O-N 3.5Å; N402-Y405 VanDerWaalsContact O-N 3.08Å; K403-Y405 VanDerWaalsContact C-N 3.3Å; K403-Y405 WeakPolarHBondContact O-CD2 3.29Å; K403-Y405 PolarHBondContact O-N 2.92Å |
| 406 | L | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 159.2 | 173.8 | -33.2 | 175.2 | 0 | 0 | 0 | 110.2 | F331 G336 N338 M373 V392 N394 | F331-L406 HydrophobicContact CE2-CD1 3.99Å; F331-L406 HydrophobicContact CE2-CD2 4.11Å; F331-L406 HydrophobicContact CZ-CD1 4.29Å; F331-L406 HydrophobicContact CZ-CD2 4.29Å; G336-L406 CarbonylContact O-C 3.52Å; G336-L406 WeakPolarHBondContact O-CA 3.05Å; G336-L406 WeakPolarHBondContact O-CB 3.49Å; N338-L406 WeakPolarHBondContact OD1-CD1 3.26Å; M373-L406 HydrophobicContact CE-CD1 4.19Å; M373-L406 HydrophobicContact SD-CD1 3.56Å; M373-L406 VanDerWaalsContact SD-CD1 3.56Å; V392-L406 HydrophobicContact CB-CB 4.02Å; V392-L406 HydrophobicContact CB-CG 4.37Å; V392-L406 HydrophobicContact CG1-CD1 4.24Å; V392-L406 HydrophobicContact CG1-CG 4.42Å; V392-L406 PolarHBondContact N-O 3.26Å; V392-L406 PolarHBondContact O-N 3.39Å; N394-L406 HydrophobicContact CB-CD1 4.36Å; N394-L406 HydrophobicContact CB-CG 4.31Å |
| 407 | I | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.7 | 163.5 | -179.4 | 165.7 | 0 | 0 | 0 | 108.1 | T48 V49 H50 F52 G336 I337 N338 K389 | T48-I407 HydrophobicContact CG2-CD1 4.07Å; T48-I407 HydrophobicContact CG2-CG2 3.5Å; T48-I407 VanDerWaalsContact CG2-CG2 3.5Å; V49-I407 WeakPolarHBondContact O-CD1 3.36Å; H50-I407 VanDerWaalsContact CE1-CG2 3.43Å; H50-I407 WeakPolarHBondContact CE1-CG2 3.4Å; F52-I407 HydrophobicContact CE1-CD1 4.4Å; F52-I407 HydrophobicContact CE1-CG1 4.19Å; F52-I407 HydrophobicContact CZ-CB 4.21Å; F52-I407 HydrophobicContact CZ-CD1 4.24Å; F52-I407 HydrophobicContact CZ-CG1 4.05Å; G336-I407 PolarHBondContact O-N 3.46Å; I337-I407 HydrophobicContact CB-CG2 4.39Å; I337-I407 HydrophobicContact CG1-CG2 4.1Å; I337-I407 HydrophobicContact CG2-CG2 4.4Å; N338-I407 PolarHBondContact N-O 2.81Å; K389-I407 HydrophobicContact CB-CD1 4.38Å; K389-I407 HydrophobicContact CB-CG1 4.29Å; K389-I407 HydrophobicContact CD-CD1 3.54Å; K389-I407 HydrophobicContact CD-CG1 4.28Å |
| 408 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.6 | -179.5 | 177.3 | 178.3 | 68.2 | 0 | 0 | 109 | F323 N338 L375 K389 W390 V392 W412 F413 V417 | F323-M408 HydrophobicContact CE2-CE 4.43Å; F323-M408 HydrophobicContact CE2-SD 4.19Å; F323-M408 HydrophobicContact CZ-CE 4.35Å; F323-M408 HydrophobicContact CZ-SD 4.32Å; N338-M408 HydrophobicContact CB-CB 3.99Å; N338-M408 HydrophobicContact CB-CG 4.07Å; N338-M408 WeakPolarHBondContact O-CA 3.47Å; L375-M408 HydrophobicContact CD2-CE 3.5Å; K389-M408 CarbonylContact C-O 3.5Å; K389-M408 VanDerWaalsContact CA-O 3.26Å; K389-M408 WeakPolarHBondContact CA-O 3.42Å; W390-M408 HydrophobicContact CB-CB 4.28Å; W390-M408 HydrophobicContact CB-CE 3.59Å; W390-M408 HydrophobicContact CG-CE 3.78Å; W390-M408 PolarHBondContact N-O 2.96Å; W390-M408 PolarHBondContact O-N 2.92Å; V392-M408 HydrophobicContact CG2-CB 3.95Å; V392-M408 HydrophobicContact CG2-CE 4.17Å; V392-M408 HydrophobicContact CG2-SD 4.39Å; M408-W412 HydrophobicContact CG-CB 4.21Å; M408-W412 HydrophobicContact CG-CD2 4.07Å; M408-W412 HydrophobicContact CG-CE3 3.45Å; M408-W412 VanDerWaalsContact CG-CE3 3.45Å; M408-W412 HydrophobicContact CG-CG 4.4Å; M408-W412 HydrophobicContact CG-CZ3 4.15Å; M408-W412 HydrophobicContact SD-CD2 4.37Å; M408-W412 HydrophobicContact SD-CE3 3.25Å; M408-W412 HydrophobicContact SD-CZ3 3.4Å; M408-W412 WeakPolarHBondContact SD-CZ3 3.42Å; M408-F413 HydrophobicContact CE-CB 4.29Å; M408-F413 HydrophobicContact CE-CD2 3.48Å; M408-F413 VanDerWaalsContact CE-CD2 3.48Å; M408-F413 HydrophobicContact CE-CE2 4.18Å; M408-F413 HydrophobicContact CE-CG 4.22Å; M408-V417 HydrophobicContact CE-CG2 4.32Å; M408-V417 HydrophobicContact SD-CG2 3.93Å |
| 409 | T | 98.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 155.3 | 175.8 | 63 | 0 | 0 | 0 | 0 | 111 | N338 D339 D411 W412 F413 | N338-T409 PolarHBondContact O-N 3.46Å; D339-T409 HydrophobicContact CB-CG2 3.78Å; D339-T409 VanDerWaalsContact CG-CG2 3.46Å; D339-T409 WeakPolarHBondContact OD2-CG2 3.29Å; T409-D411 PolarHBondContact O-N 2.85Å; T409-W412 WeakPolarHBondContact O-CB 3.5Å; T409-W412 PolarHBondContact O-N 3.46Å; T409-W412 VanDerWaalsContact O-N 3.11Å; T409-W412 PolarHBondContact OG1-N 2.89Å; T409-F413 PolarHBondContact O-N 2.7Å |
| 410 | D | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -29.5 | 178.9 | -167.9 | 57.6 | 0 | 0 | 0 | 113.1 | K308 Y387 E388 W390 F413 S414 | K308-D410 WeakPolarHBondContact CD-OD1 3.44Å; K308-D410 WeakPolarHBondContact CE-OD1 3.43Å; K308-D410 PolarHBondContact NZ-O 2.77Å; K308-D410 IonicContact NZ-OD1 2.71Å; K308-D410 PolarHBondContact NZ-OD1 3.1Å; K308-D410 IonicContact NZ-OD2 3.38Å; K308-D410 PolarHBondContact NZ-OD2 3.46Å; Y387-D410 WeakPolarHBondContact O-CB 3.37Å; E388-D410 PolarHBondContact O-N 2.87Å; W390-D410 PolarHBondContact NE1-OD1 3.48Å; D410-F413 WeakPolarHBondContact O-CB 3.27Å; D410-F413 PolarHBondContact O-N 2.9Å; D410-S414 PolarHBondContact O-N 2.88Å; D410-S414 PolarHBondContact O-OG 3.27Å; D410-S414 VanDerWaalsContact O-OG 3.08Å |
| 411 | D | 98.4 | Very high | 98.1 | Very high | 97 Ų | 97 | 23.3 Ų | 23.3 | 52% | 0.519 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 171.7 | -69.8 | -20.6 | 0 | 0 | 0 | 111.4 | M340 T409 F413 S414 E415 | M340-D411 HydrophobicContact CG-CB 3.92Å; T409-D411 PolarHBondContact O-N 2.85Å; D411-F413 VanDerWaalsContact C-N 3.32Å; D411-F413 PolarHBondContact O-N 2.95Å; D411-S414 VanDerWaalsContact O-CB 3.32Å; D411-S414 WeakPolarHBondContact O-CB 3.44Å; D411-S414 PolarHBondContact O-N 3.19Å; D411-E415 WeakPolarHBondContact O-CG 3.18Å; D411-E415 PolarHBondContact O-N 3.27Å; D411-E415 VanDerWaalsContact O-N 3.15Å |
| 412 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 174.9 | -166.7 | 100.9 | 0 | 0 | 0 | 111.3 | C325 D326 K329 N338 M408 T409 S414 E415 Y416 V417 | C325-W412 HydrophobicContact CB-CH2 3.79Å; C325-W412 HydrophobicContact CB-CZ3 3.91Å; D326-W412 VanDerWaalsContact O-CZ2 3.3Å; D326-W412 WeakPolarHBondContact O-CZ2 3.47Å; K329-W412 PolarHBondContact O-NE1 3.44Å; N338-W412 HydrophobicContact CB-CD2 3.74Å; N338-W412 HydrophobicContact CB-CE3 4.27Å; N338-W412 HydrophobicContact CB-CG 3.89Å; N338-W412 HydrophobicContact CB-CZ2 4.28Å; N338-W412 WeakPolarHBondContact ND2-CZ2 3.45Å; M408-W412 HydrophobicContact CG-CB 4.21Å; M408-W412 HydrophobicContact CG-CD2 4.07Å; M408-W412 HydrophobicContact CG-CE3 3.45Å; M408-W412 VanDerWaalsContact CG-CE3 3.45Å; M408-W412 HydrophobicContact CG-CG 4.4Å; M408-W412 HydrophobicContact CG-CZ3 4.15Å; M408-W412 HydrophobicContact SD-CD2 4.37Å; M408-W412 HydrophobicContact SD-CE3 3.25Å; M408-W412 HydrophobicContact SD-CZ3 3.4Å; M408-W412 WeakPolarHBondContact SD-CZ3 3.42Å; T409-W412 WeakPolarHBondContact O-CB 3.5Å; T409-W412 PolarHBondContact O-N 3.46Å; T409-W412 VanDerWaalsContact O-N 3.11Å; T409-W412 PolarHBondContact OG1-N 2.89Å; W412-S414 VanDerWaalsContact C-N 3.29Å; W412-S414 PolarHBondContact O-N 2.93Å; W412-E415 PolarHBondContact O-N 3.08Å; W412-Y416 AromaticContact CD1-CD2 3.96Å; W412-Y416 HydrophobicContact CD2-CD2 4.22Å; W412-Y416 AromaticContact CE2-CD2 3.92Å; W412-Y416 HydrophobicContact CG-CD2 4.27Å; W412-Y416 HydrophobicContact CZ2-CD2 4.47Å; W412-Y416 HydrophobicContact CZ2-CG 4.43Å; W412-Y416 AromaticContact NE1-CD2 3.74Å; W412-Y416 PolarHBondContact O-N 3.35Å; W412-V417 HydrophobicContact CE3-CG2 4.34Å; W412-V417 HydrophobicContact CZ3-CG2 3.97Å |
| 413 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -54.3 | -49.5 | 172 | -166.4 | -53.9 | 0 | 0 | 0 | 110 | I304 L307 K308 L375 W390 M408 T409 D410 D411 E415 V417 V420 | I304-F413 HydrophobicContact CD1-CD1 3.92Å; I304-F413 HydrophobicContact CD1-CE1 3.8Å; I304-F413 HydrophobicContact CG1-CD1 4.34Å; L307-F413 HydrophobicContact CB-CE1 4.43Å; K308-F413 HydrophobicContact CD-CD1 4.35Å; K308-F413 HydrophobicContact CG-CD1 3.71Å; K308-F413 HydrophobicContact CG-CD2 4.42Å; K308-F413 HydrophobicContact CG-CE1 3.65Å; K308-F413 HydrophobicContact CG-CE2 4.35Å; K308-F413 HydrophobicContact CG-CG 4.15Å; K308-F413 HydrophobicContact CG-CZ 3.98Å; L375-F413 HydrophobicContact CD1-CE2 3.88Å; W390-F413 AromaticContact CD1-CD2 3.88Å; W390-F413 AromaticContact CD2-CD2 3.86Å; W390-F413 HydrophobicContact CD2-CD2 3.86Å; W390-F413 HydrophobicContact CD2-CE2 4.14Å; W390-F413 AromaticContact CE2-CD2 3.57Å; W390-F413 AromaticContact CE2-CE2 4Å; W390-F413 HydrophobicContact CE3-CE2 4.34Å; W390-F413 HydrophobicContact CG-CD2 4.07Å; W390-F413 HydrophobicContact CH2-CE2 4.33Å; W390-F413 HydrophobicContact CZ2-CD2 4.02Å; W390-F413 HydrophobicContact CZ2-CE2 4.11Å; W390-F413 HydrophobicContact CZ3-CE2 4.43Å; W390-F413 AromaticContact NE1-CD2 3.59Å; M408-F413 HydrophobicContact CE-CB 4.29Å; M408-F413 HydrophobicContact CE-CD2 3.48Å; M408-F413 VanDerWaalsContact CE-CD2 3.48Å; M408-F413 HydrophobicContact CE-CE2 4.18Å; M408-F413 HydrophobicContact CE-CG 4.22Å; T409-F413 PolarHBondContact O-N 2.7Å; D410-F413 WeakPolarHBondContact O-CB 3.27Å; D410-F413 PolarHBondContact O-N 2.9Å; D411-F413 VanDerWaalsContact C-N 3.32Å; D411-F413 PolarHBondContact O-N 2.95Å; F413-E415 VanDerWaalsContact C-N 3.28Å; F413-E415 PolarHBondContact O-N 3.03Å; F413-V417 HydrophobicContact CB-CG2 4.26Å; F413-V417 HydrophobicContact CD1-CB 3.64Å; F413-V417 HydrophobicContact CD1-CG1 4.01Å; F413-V417 HydrophobicContact CD1-CG2 3.87Å; F413-V417 HydrophobicContact CD2-CG2 4.15Å; F413-V417 HydrophobicContact CE1-CB 3.75Å; F413-V417 HydrophobicContact CE1-CG1 3.56Å; F413-V417 HydrophobicContact CE1-CG2 4.21Å; F413-V417 HydrophobicContact CE2-CG2 4.49Å; F413-V417 HydrophobicContact CG-CB 4.13Å; F413-V417 HydrophobicContact CG-CG2 3.81Å; F413-V417 HydrophobicContact CZ-CB 4.35Å; F413-V417 HydrophobicContact CZ-CG1 3.86Å; F413-V417 WeakPolarHBondContact O-CB 3.28Å; F413-V417 PolarHBondContact O-N 2.71Å; F413-V417 VanDerWaalsContact O-N 3.11Å; F413-V420 HydrophobicContact CZ-CG1 3.87Å |
| 414 | S | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 18 Ų | 18 | 20% | 0.196 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -53 | -46.8 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | K308 K358 D410 D411 W412 | K308-S414 PolarHBondContact NZ-OG 2.81Å; K358-S414 WeakPolarHBondContact CD-O 3.32Å; K358-S414 PolarHBondContact NZ-O 3.07Å; D410-S414 PolarHBondContact O-N 2.88Å; D410-S414 PolarHBondContact O-OG 3.27Å; D410-S414 VanDerWaalsContact O-OG 3.08Å; D411-S414 VanDerWaalsContact O-CB 3.32Å; D411-S414 WeakPolarHBondContact O-CB 3.44Å; D411-S414 PolarHBondContact O-N 3.19Å; W412-S414 VanDerWaalsContact C-N 3.29Å; W412-S414 PolarHBondContact O-N 2.93Å |
| 415 | E | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 24.8 Ų | 24.8 | 28% | 0.28 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -82.2 | -35.3 | -169.7 | -68 | -59.9 | 135.8 | 0 | 0 | 114 | M340 K358 R361 D411 W412 F413 | M340-E415 HydrophobicContact CE-CB 4.31Å; M340-E415 HydrophobicContact CE-CG 3.9Å; M340-E415 HydrophobicContact CG-CG 4.47Å; M340-E415 HydrophobicContact SD-CB 3.92Å; M340-E415 HydrophobicContact SD-CG 3.86Å; K358-E415 WeakPolarHBondContact CD-O 3.4Å; K358-E415 WeakPolarHBondContact CE-O 3.18Å; K358-E415 WeakPolarHBondContact CG-O 3.41Å; R361-E415 IonicContact CZ-OE2 2.95Å; R361-E415 VanDerWaalsContact CZ-OE2 3.24Å; R361-E415 IonicContact NH1-OE2 3.79Å; R361-E415 PolarHBondContact NH1-OE2 3.47Å; R361-E415 PolarHBondContact NH2-O 3.23Å; R361-E415 IonicContact NH2-OE2 3.78Å; R361-E415 PolarHBondContact NH2-OE2 2.92Å; D411-E415 WeakPolarHBondContact O-CG 3.18Å; D411-E415 PolarHBondContact O-N 3.27Å; D411-E415 VanDerWaalsContact O-N 3.15Å; W412-E415 PolarHBondContact O-N 3.08Å; F413-E415 VanDerWaalsContact C-N 3.28Å; F413-E415 PolarHBondContact O-N 3.03Å |
| 416 | Y | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -130.1 | -3.4 | -165.5 | -61.5 | -64.3 | 0 | 0 | 0 | 115.8 | C325 D326 K329 H330 M340 W412 Y418 | C325-Y416 CarbonylContact C-O 3.12Å; C325-Y416 WeakPolarHBondContact CA-O 3.46Å; C325-Y416 WeakPolarHBondContact CB-O 3.46Å; D326-Y416 HydrophobicContact CB-CD1 4.28Å; D326-Y416 PolarHBondContact N-O 3.02Å; K329-Y416 HydrophobicContact CB-CD1 3.64Å; K329-Y416 HydrophobicContact CB-CD2 3.92Å; K329-Y416 HydrophobicContact CB-CE1 3.49Å; K329-Y416 VanDerWaalsContact CB-CE1 3.49Å; K329-Y416 HydrophobicContact CB-CE2 3.75Å; K329-Y416 HydrophobicContact CB-CG 3.87Å; K329-Y416 HydrophobicContact CD-CE1 4.35Å; K329-Y416 HydrophobicContact CG-CD1 3.77Å; K329-Y416 HydrophobicContact CG-CE1 3.55Å; K329-Y416 HydrophobicContact CG-CG 4.47Å; H330-Y416 AromaticContact CD2-CE2 3.45Å; H330-Y416 VanDerWaalsContact CD2-CE2 3.45Å; H330-Y416 WeakPolarHBondContact CD2-CE2 3.45Å; H330-Y416 AromaticContact CD2-CZ 3.66Å; H330-Y416 PolarHBondContact CD2-OH 2.94Å; H330-Y416 PolarHBondContact NE2-OH 3.13Å; M340-Y416 HydrophobicContact CE-CE2 3.86Å; M340-Y416 HydrophobicContact SD-CD2 3.95Å; M340-Y416 HydrophobicContact SD-CE2 3.46Å; M340-Y416 WeakPolarHBondContact SD-CE2 3.31Å; W412-Y416 AromaticContact CD1-CD2 3.96Å; W412-Y416 HydrophobicContact CD2-CD2 4.22Å; W412-Y416 AromaticContact CE2-CD2 3.92Å; W412-Y416 HydrophobicContact CG-CD2 4.27Å; W412-Y416 HydrophobicContact CZ2-CD2 4.47Å; W412-Y416 HydrophobicContact CZ2-CG 4.43Å; W412-Y416 AromaticContact NE1-CD2 3.74Å; W412-Y416 PolarHBondContact O-N 3.35Å; Y416-Y418 WeakPolarHBondContact O-CD2 3.32Å; Y416-Y418 WeakPolarHBondContact O-CE2 3.4Å |
| 417 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.1 | 166.6 | 175 | 0 | 0 | 0 | 0 | 109.4 | F323 C325 K358 M408 W412 F413 V420 | F323-V417 HydrophobicContact CD2-CG1 4.13Å; F323-V417 HydrophobicContact CD2-CG2 3.92Å; F323-V417 HydrophobicContact CE2-CG2 3.99Å; C325-V417 HydrophobicContact CB-CG2 4.2Å; K358-V417 PolarHBondContact NZ-O 3.19Å; M408-V417 HydrophobicContact CE-CG2 4.32Å; M408-V417 HydrophobicContact SD-CG2 3.93Å; W412-V417 HydrophobicContact CE3-CG2 4.34Å; W412-V417 HydrophobicContact CZ3-CG2 3.97Å; F413-V417 HydrophobicContact CB-CG2 4.26Å; F413-V417 HydrophobicContact CD1-CB 3.64Å; F413-V417 HydrophobicContact CD1-CG1 4.01Å; F413-V417 HydrophobicContact CD1-CG2 3.87Å; F413-V417 HydrophobicContact CD2-CG2 4.15Å; F413-V417 HydrophobicContact CE1-CB 3.75Å; F413-V417 HydrophobicContact CE1-CG1 3.56Å; F413-V417 HydrophobicContact CE1-CG2 4.21Å; F413-V417 HydrophobicContact CE2-CG2 4.49Å; F413-V417 HydrophobicContact CG-CB 4.13Å; F413-V417 HydrophobicContact CG-CG2 3.81Å; F413-V417 HydrophobicContact CZ-CB 4.35Å; F413-V417 HydrophobicContact CZ-CG1 3.86Å; F413-V417 WeakPolarHBondContact O-CB 3.28Å; F413-V417 PolarHBondContact O-N 2.71Å; F413-V417 VanDerWaalsContact O-N 3.11Å; V417-V420 HydrophobicContact CG1-CG1 4.1Å |
| 418 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -24.2 | -177.6 | -67 | -77.4 | 0 | 0 | 0 | 113 | V270 N271 G324 D326 K358 L362 S367 M369 Y416 M448 | V270-Y418 CarbonylContact C-O 3.58Å; V270-Y418 WeakPolarHBondContact CA-O 3.48Å; V270-Y418 WeakPolarHBondContact CB-O 3.46Å; N271-Y418 PolarHBondContact N-O 2.84Å; G324-Y418 PolarHBondContact O-N 2.86Å; D326-Y418 HydrophobicContact CB-CE2 4.11Å; K358-Y418 HydrophobicContact CD-CE1 4.36Å; K358-Y418 VanDerWaalsContact CE-CE1 3.45Å; K358-Y418 HydrophobicContact CG-CE1 4.05Å; L362-Y418 HydrophobicContact CD1-CD1 4.36Å; L362-Y418 HydrophobicContact CD1-CE1 3.8Å; L362-Y418 HydrophobicContact CD2-CD1 4.3Å; L362-Y418 HydrophobicContact CD2-CE1 3.69Å; L362-Y418 HydrophobicContact CG-CE1 3.84Å; S367-Y418 WeakPolarHBondContact CB-OH 3.38Å; S367-Y418 PolarHBondContact OG-OH 3.08Å; M369-Y418 HydrophobicContact CB-CD2 4.14Å; Y416-Y418 WeakPolarHBondContact O-CD2 3.32Å; Y416-Y418 WeakPolarHBondContact O-CE2 3.4Å; Y418-M448 HydrophobicContact CD1-SD 4.38Å |
| 419 | E | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139.5 | -172.7 | -171.7 | -176 | 171.3 | 0 | 0 | 110.4 | Q145 C268 L269 V270 W322 F323 G324 M369 | Q145-E419 PolarHBondContact OE1-OE2 2.8Å; C268-E419 VanDerWaalsContact SG-CD 3.57Å; C268-E419 VanDerWaalsContact SG-CG 3.59Å; C268-E419 PolarHBondContact SG-OE1 3.44Å; L269-E419 CarbonylContact O-C 3.57Å; L269-E419 VanDerWaalsContact O-CA 3.27Å; L269-E419 WeakPolarHBondContact O-CA 3.33Å; V270-E419 HydrophobicContact CG1-CB 4.22Å; V270-E419 HydrophobicContact CG1-CG 3.99Å; W322-E419 WeakPolarHBondContact CH2-OE2 3.17Å; W322-E419 HydrophobicContact CZ3-CB 4.3Å; W322-E419 HydrophobicContact CZ3-CG 3.78Å; W322-E419 WeakPolarHBondContact CZ3-OE1 3.35Å; F323-E419 CarbonylContact C-O 2.85Å; F323-E419 WeakPolarHBondContact CA-O 3.45Å; F323-E419 VanDerWaalsContact CB-O 3.23Å; F323-E419 WeakPolarHBondContact CB-O 3.38Å; G324-E419 PolarHBondContact N-O 3.28Å; G324-E419 PolarHBondContact O-N 2.94Å; M369-E419 WeakPolarHBondContact CE-OE2 3.4Å; M369-E419 HydrophobicContact SD-CB 3.98Å; M369-E419 VanDerWaalsContact SD-OE2 3.33Å |
| 420 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 147.7 | 166.4 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | L269 L307 V321 F323 F413 V417 | L269-V420 HydrophobicContact CB-CG2 4.03Å; L269-V420 HydrophobicContact CD1-CG2 4.47Å; L269-V420 PolarHBondContact N-O 3.41Å; L269-V420 PolarHBondContact O-N 3.22Å; L307-V420 HydrophobicContact CB-CG1 4.45Å; L307-V420 HydrophobicContact CB-CG2 3.76Å; L307-V420 HydrophobicContact CD2-CG1 4.49Å; L307-V420 HydrophobicContact CD2-CG2 4.02Å; L307-V420 HydrophobicContact CG-CG2 3.68Å; V321-V420 HydrophobicContact CG1-CB 4.07Å; F323-V420 HydrophobicContact CB-CG1 3.91Å; F413-V420 HydrophobicContact CZ-CG1 3.87Å; V417-V420 HydrophobicContact CG1-CG1 4.1Å |
| 421 | V | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.4 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 109.3 | W146 K266 V267 C268 W322 | W146-V421 HydrophobicContact CB-CG2 3.92Å; W146-V421 HydrophobicContact CD2-CB 4.17Å; W146-V421 HydrophobicContact CD2-CG1 3.59Å; W146-V421 HydrophobicContact CD2-CG2 3.7Å; W146-V421 VanDerWaalsContact CE2-CG1 3.42Å; W146-V421 HydrophobicContact CE3-CB 4.19Å; W146-V421 HydrophobicContact CE3-CG1 3.88Å; W146-V421 HydrophobicContact CE3-CG2 3.88Å; W146-V421 HydrophobicContact CG-CG1 4.16Å; W146-V421 HydrophobicContact CG-CG2 3.68Å; W146-V421 HydrophobicContact CH2-CG1 3.84Å; W146-V421 HydrophobicContact CZ2-CG1 3.56Å; W146-V421 HydrophobicContact CZ3-CB 4.48Å; W146-V421 HydrophobicContact CZ3-CG1 3.99Å; K266-V421 HydrophobicContact CB-CG1 3.66Å; V267-V421 WeakPolarHBondContact O-CA 3.37Å; C268-V421 HydrophobicContact CB-CG2 4.24Å; W322-V421 HydrophobicContact CB-CB 4.31Å; W322-V421 HydrophobicContact CD2-CG2 4.34Å; W322-V421 HydrophobicContact CE3-CB 4.13Å; W322-V421 HydrophobicContact CE3-CG2 3.5Å; W322-V421 HydrophobicContact CZ3-CG2 3.96Å; W322-V421 PolarHBondContact O-N 3.39Å |
| 422 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 158.8 | -176.5 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | K266 V267 A310 V321 F426 L427 | K266-V422 CarbonylContact C-O 3.59Å; K266-V422 WeakPolarHBondContact CA-O 3.33Å; V267-V422 PolarHBondContact N-O 2.8Å; V267-V422 PolarHBondContact O-N 3.5Å; A310-V422 HydrophobicContact CB-CG1 4.33Å; A310-V422 HydrophobicContact CB-CG2 4.07Å; V321-V422 HydrophobicContact CG1-CG1 3.95Å; V321-V422 HydrophobicContact CG2-CG1 4.27Å; V422-F426 HydrophobicContact CB-CD2 4.38Å; V422-L427 HydrophobicContact CG2-CD1 4.18Å; V422-L427 HydrophobicContact CG2-CD2 3.73Å; V422-L427 HydrophobicContact CG2-CG 4.03Å |
| 423 | D | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.6 | 170.6 | -163.7 | -78.3 | 0 | 0 | 0 | 111.5 | K266 R425 F426 | K266-D423 HydrophobicContact CD-CB 4.09Å; K266-D423 IonicContact NZ-OD2 2.81Å; K266-D423 PolarHBondContact NZ-OD2 3.07Å; D423-R425 HydrophobicContact CB-CG 4.03Å; D423-R425 PolarHBondContact O-N 3.24Å; D423-R425 WeakPolarHBondContact OD1-CB 3.41Å; D423-R425 WeakPolarHBondContact OD1-CD 3.48Å; D423-R425 WeakPolarHBondContact OD1-CG 3.46Å; D423-R425 PolarHBondContact OD1-N 3.34Å; D423-F426 HydrophobicContact CB-CD2 3.7Å; D423-F426 HydrophobicContact CB-CE2 3.7Å; D423-F426 WeakPolarHBondContact O-CD2 3.44Å; D423-F426 PolarHBondContact O-N 3.12Å |
| 424 | K | 98.3 | Very high | 98.5 | Very high | 96 Ų | 96 | 39.5 Ų | 39.5 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -53.1 | -25.3 | 178.2 | 68.4 | -170.2 | -175.8 | -165.8 | 0 | 113.7 | D265 V267 F426 L427 L432 | D265-K424 HydrophobicContact CB-CD 4.4Å; D265-K424 WeakPolarHBondContact O-CB 3.37Å; D265-K424 PolarHBondContact O-N 3.11Å; D265-K424 WeakPolarHBondContact OD1-CE 3.42Å; D265-K424 IonicContact OD1-NZ 3.28Å; D265-K424 PolarHBondContact OD1-NZ 3.41Å; V267-K424 HydrophobicContact CG2-CB 3.94Å; K424-F426 PolarHBondContact O-N 3.25Å; K424-L427 PolarHBondContact O-N 3.33Å; K424-L427 VanDerWaalsContact O-N 3.13Å; K424-L432 HydrophobicContact CB-CD2 3.82Å |
| 425 | R | 97.8 | Very high | 98.4 | Very high | 146 Ų | 146 | 40.7 Ų | 40.7 | 55% | 0.551 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -64.7 | -18.8 | 177.3 | 76.3 | -166.6 | 178.4 | 143.5 | -2.4 | 114.2 | D423 L427 | D423-R425 HydrophobicContact CB-CG 4.03Å; D423-R425 PolarHBondContact O-N 3.24Å; D423-R425 WeakPolarHBondContact OD1-CB 3.41Å; D423-R425 WeakPolarHBondContact OD1-CD 3.48Å; D423-R425 WeakPolarHBondContact OD1-CG 3.46Å; D423-R425 PolarHBondContact OD1-N 3.34Å; R425-L427 VanDerWaalsContact C-N 3.33Å |
| 426 | F | 98 | Very high | 98.3 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -90.3 | 0.3 | 176.9 | -58.3 | -61 | 0 | 0 | 0 | 113.2 | D313 E317 V422 D423 K424 | D313-F426 HydrophobicContact CB-CD1 3.94Å; E317-F426 HydrophobicContact CB-CE1 3.77Å; E317-F426 HydrophobicContact CB-CZ 3.73Å; E317-F426 HydrophobicContact CG-CE1 3.68Å; E317-F426 HydrophobicContact CG-CZ 4.16Å; V422-F426 HydrophobicContact CB-CD2 4.38Å; D423-F426 HydrophobicContact CB-CD2 3.7Å; D423-F426 HydrophobicContact CB-CE2 3.7Å; D423-F426 WeakPolarHBondContact O-CD2 3.44Å; D423-F426 PolarHBondContact O-N 3.12Å; K424-F426 PolarHBondContact O-N 3.25Å |
| 427 | L | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -110.6 | 137.2 | -174.2 | -58.3 | -175.6 | 0 | 0 | 0 | 110.5 | V267 L269 A310 V422 K424 R425 V431 L432 | V267-L427 HydrophobicContact CB-CD1 3.57Å; V267-L427 HydrophobicContact CG1-CD1 3.65Å; V267-L427 HydrophobicContact CG2-CD1 3.99Å; L269-L427 HydrophobicContact CD1-CD2 3.68Å; L269-L427 HydrophobicContact CD2-CD1 4.13Å; L269-L427 HydrophobicContact CG-CD1 4.44Å; L269-L427 HydrophobicContact CG-CD2 4.44Å; A310-L427 HydrophobicContact CB-CD2 3.78Å; V422-L427 HydrophobicContact CG2-CD1 4.18Å; V422-L427 HydrophobicContact CG2-CD2 3.73Å; V422-L427 HydrophobicContact CG2-CG 4.03Å; K424-L427 PolarHBondContact O-N 3.33Å; K424-L427 VanDerWaalsContact O-N 3.13Å; R425-L427 VanDerWaalsContact C-N 3.33Å; L427-V431 HydrophobicContact CB-CG1 4.38Å; L427-V431 HydrophobicContact CD1-CG1 4.25Å; L427-L432 HydrophobicContact CB-CD2 3.85Å; L427-L432 HydrophobicContact CB-CG 4.01Å; L427-L432 HydrophobicContact CD1-CD2 3.9Å; L427-L432 HydrophobicContact CG-CD2 4.46Å |
| 428 | P | 97.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | trans | -68.9 | 155.8 | 174.9 | 32.3 | -36.4 | 0 | 0 | 0 | 110.6 | L306 D430 V431 L432 | L306-P428 HydrophobicContact CD1-CG 4.48Å; P428-D430 VanDerWaalsContact C-N 3.3Å; P428-D430 VanDerWaalsContact CB-OD1 3.22Å; P428-D430 WeakPolarHBondContact CB-OD1 3.45Å; P428-D430 VanDerWaalsContact CG-OD1 3.27Å; P428-D430 WeakPolarHBondContact CG-OD1 3.45Å; P428-D430 PolarHBondContact O-N 3Å; P428-V431 HydrophobicContact CG-CB 4.03Å; P428-V431 HydrophobicContact CG-CG2 3.57Å; P428-V431 PolarHBondContact O-N 3.32Å; P428-V431 VanDerWaalsContact O-N 3.12Å; P428-L432 PolarHBondContact O-N 3.1Å | ||
| 429 | P | 98.1 | Very high | 98.3 | Very high | 95 Ų | 95 | 58.5 Ų | 58.5 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -56.8 | -38.5 | -174 | -27.9 | 35.8 | 0 | 0 | 0 | 114.6 | V431 L432 E433 | P429-V431 VanDerWaalsContact C-N 3.31Å; P429-V431 PolarHBondContact O-N 3.24Å; P429-L432 WeakPolarHBondContact O-CB 3.47Å; P429-L432 PolarHBondContact O-N 3.17Å; P429-L432 VanDerWaalsContact O-N 3.11Å; P429-E433 WeakPolarHBondContact O-CG 3.27Å; P429-E433 PolarHBondContact O-N 3.36Å |
| 430 | D | 97.9 | Very high | 98.3 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.8 | -35.7 | 178.9 | 63.3 | -41.8 | 0 | 0 | 0 | 112.5 | P428 | P428-D430 VanDerWaalsContact C-N 3.3Å; P428-D430 VanDerWaalsContact CB-OD1 3.22Å; P428-D430 WeakPolarHBondContact CB-OD1 3.45Å; P428-D430 VanDerWaalsContact CG-OD1 3.27Å; P428-D430 WeakPolarHBondContact CG-OD1 3.45Å; P428-D430 PolarHBondContact O-N 3Å |
| 431 | V | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | L269 N300 Q302 L306 L427 P428 P429 V434 | L269-V431 HydrophobicContact CD2-CG1 3.86Å; N300-V431 PolarHBondContact ND2-O 2.93Å; Q302-V431 HydrophobicContact CG-CG1 4.39Å; L306-V431 HydrophobicContact CD1-CG2 4.29Å; L306-V431 HydrophobicContact CD2-CG1 4.09Å; L306-V431 HydrophobicContact CD2-CG2 3.65Å; L427-V431 HydrophobicContact CB-CG1 4.38Å; L427-V431 HydrophobicContact CD1-CG1 4.25Å; P428-V431 HydrophobicContact CG-CB 4.03Å; P428-V431 HydrophobicContact CG-CG2 3.57Å; P428-V431 PolarHBondContact O-N 3.32Å; P428-V431 VanDerWaalsContact O-N 3.12Å; P429-V431 VanDerWaalsContact C-N 3.31Å; P429-V431 PolarHBondContact O-N 3.24Å; V431-V434 WeakPolarHBondContact O-CB 3.22Å; V431-V434 PolarHBondContact O-N 2.94Å |
| 432 | L | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 177.3 | -65.5 | 176.1 | 0 | 0 | 0 | 112.4 | V267 K424 L427 P428 P429 V434 M435 | V267-L432 HydrophobicContact CG2-CD2 3.99Å; K424-L432 HydrophobicContact CB-CD2 3.82Å; L427-L432 HydrophobicContact CB-CD2 3.85Å; L427-L432 HydrophobicContact CB-CG 4.01Å; L427-L432 HydrophobicContact CD1-CD2 3.9Å; L427-L432 HydrophobicContact CG-CD2 4.46Å; P428-L432 PolarHBondContact O-N 3.1Å; P429-L432 WeakPolarHBondContact O-CB 3.47Å; P429-L432 PolarHBondContact O-N 3.17Å; P429-L432 VanDerWaalsContact O-N 3.11Å; L432-V434 PolarHBondContact O-N 3.24Å; L432-M435 WeakPolarHBondContact O-CB 3.21Å; L432-M435 PolarHBondContact O-N 3.45Å |
| 433 | E | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 68.6 Ų | 68.6 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.4 | -27.3 | 175.4 | -76.2 | 173.9 | -171.8 | 0 | 0 | 112.6 | P429 M435 Q436 | P429-E433 WeakPolarHBondContact O-CG 3.27Å; P429-E433 PolarHBondContact O-N 3.36Å; E433-M435 PolarHBondContact O-N 2.99Å; E433-Q436 WeakPolarHBondContact O-CB 3.35Å; E433-Q436 PolarHBondContact O-N 2.94Å |
| 434 | V | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -57.9 | -33.6 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | K281 L282 N300 V431 L432 Q436 Q437 | K281-V434 VanDerWaalsContact C-CG1 3.41Å; L282-V434 HydrophobicContact CB-CG1 4.05Å; L282-V434 HydrophobicContact CD1-CG1 4.49Å; N300-V434 WeakPolarHBondContact OD1-CG1 3.32Å; V431-V434 WeakPolarHBondContact O-CB 3.22Å; V431-V434 PolarHBondContact O-N 2.94Å; L432-V434 PolarHBondContact O-N 3.24Å; V434-Q436 PolarHBondContact O-N 3.32Å; V434-Q436 VanDerWaalsContact O-N 3.12Å; V434-Q437 WeakPolarHBondContact O-CB 3.33Å; V434-Q437 WeakPolarHBondContact O-CG 3.41Å; V434-Q437 PolarHBondContact O-N 3.14Å; V434-Q437 VanDerWaalsContact O-N 3.1Å |
| 435 | M | 97.6 | Very high | 98.2 | Very high | 53 Ų | 53 | 67.3 Ų | 67.3 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -67.4 | -11.6 | 179.1 | -61.7 | -60.1 | -63.2 | 0 | 0 | 113.6 | V267 L282 L298 N300 L432 E433 | V267-M435 HydrophobicContact CG1-CG 4.17Å; V267-M435 HydrophobicContact CG1-SD 4.02Å; L282-M435 HydrophobicContact CD1-CE 4.32Å; L282-M435 HydrophobicContact CD1-SD 3.71Å; L298-M435 HydrophobicContact CB-CE 4.21Å; L298-M435 HydrophobicContact CD1-CE 4.22Å; N300-M435 HydrophobicContact CB-SD 3.91Å; L432-M435 WeakPolarHBondContact O-CB 3.21Å; L432-M435 PolarHBondContact O-N 3.45Å; E433-M435 PolarHBondContact O-N 2.99Å |
| 436 | Q | 97.4 | Very high | 98.2 | Very high | 167 Ų | 167 | 61.2 Ų | 61.2 | 78% | 0.78 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -94.5 | -7.1 | 177.1 | -56.2 | -179.3 | 0.4 | 0 | 0 | 112.8 | E433 V434 | E433-Q436 WeakPolarHBondContact O-CB 3.35Å; E433-Q436 PolarHBondContact O-N 2.94Å; V434-Q436 PolarHBondContact O-N 3.32Å; V434-Q436 VanDerWaalsContact O-N 3.12Å |
| 437 | Q | 98.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -71.1 | 157.9 | 178.8 | -61.7 | 179.1 | 17.1 | 0 | 0 | 111.3 | G280 L282 V434 A439 | G280-Q437 PolarHBondContact O-NE2 3.19Å; G280-Q437 VanDerWaalsContact O-NE2 3.09Å; L282-Q437 HydrophobicContact CB-CB 4.14Å; L282-Q437 VanDerWaalsContact CD2-O 3.28Å; L282-Q437 WeakPolarHBondContact CD2-O 3.18Å; V434-Q437 WeakPolarHBondContact O-CB 3.33Å; V434-Q437 WeakPolarHBondContact O-CG 3.41Å; V434-Q437 PolarHBondContact O-N 3.14Å; V434-Q437 VanDerWaalsContact O-N 3.1Å; Q437-A439 PolarHBondContact O-N 3.44Å |
| 438 | E | 98.1 | Very high | 98.2 | Very high | 188 Ų | 188 | 60.6 Ų | 60.6 | 88% | 0.879 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 125.6 | 162.3 | -173.7 | 173.6 | -174 | 0 | 0 | 109.2 | ||
| 439 | A | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 132.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L282 L298 Q437 V441 | L282-A439 HydrophobicContact CB-CB 4.42Å; L282-A439 HydrophobicContact CD2-CB 4.03Å; L282-A439 HydrophobicContact CG-CB 3.99Å; L282-A439 CarbonylContact O-C 3.59Å; L282-A439 WeakPolarHBondContact O-CA 3.4Å; L298-A439 HydrophobicContact CD2-CB 3.9Å; Q437-A439 PolarHBondContact O-N 3.44Å; A439-V441 PolarHBondContact O-N 3.36Å |
| 440 | V | 98.6 | Very high | 97.2 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121.2 | 168.1 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | L282 Y283 S284 L442 | L282-V440 PolarHBondContact O-N 2.92Å; Y283-V440 CarbonylContact C-O 3.5Å; Y283-V440 WeakPolarHBondContact CA-O 3.29Å; Y283-V440 HydrophobicContact CD1-CB 3.73Å; Y283-V440 HydrophobicContact CD1-CG1 4.08Å; Y283-V440 HydrophobicContact CE1-CB 3.96Å; Y283-V440 HydrophobicContact CE1-CG1 4.15Å; Y283-V440 HydrophobicContact CE1-CG2 4.36Å; S284-V440 PolarHBondContact N-O 3.17Å; V440-L442 PolarHBondContact O-N 2.79Å |
| 441 | V | 98.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 111.5 | -178.6 | -175.2 | 0 | 0 | 0 | 0 | 110 | S284 E286 A439 | S284-V441 CarbonylContact O-C 3.59Å; S284-V441 WeakPolarHBondContact O-CA 3.35Å; E286-V441 HydrophobicContact CB-CG1 3.9Å; E286-V441 HydrophobicContact CG-CG1 4.32Å; A439-V441 PolarHBondContact O-N 3.36Å |
| 442 | L | 98.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 154.2 | 173.6 | -57.8 | 177.2 | 0 | 0 | 0 | 110.7 | Y283 S284 V285 E286 V440 D446 | Y283-L442 HydrophobicContact CD1-CD1 4.2Å; Y283-L442 HydrophobicContact CD1-CD2 3.99Å; Y283-L442 HydrophobicContact CD1-CG 4.14Å; S284-L442 PolarHBondContact O-N 2.74Å; V285-L442 HydrophobicContact CG2-CB 4.28Å; V285-L442 HydrophobicContact CG2-CD1 4.37Å; E286-L442 WeakPolarHBondContact CB-O 3.41Å; E286-L442 PolarHBondContact N-O 3.5Å; V440-L442 PolarHBondContact O-N 2.79Å; L442-D446 HydrophobicContact CB-CB 3.94Å |
| 443 | P | 98.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 54 Ų | 54 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | trans | -59.1 | 150.8 | 177.6 | -21.9 | 32.9 | 0 | 0 | 0 | 112.7 | V285 W445 D446 | V285-P443 WeakPolarHBondContact CG1-O 3.43Å; P443-W445 HydrophobicContact CB-CD2 4.05Å; P443-W445 HydrophobicContact CB-CH2 4.21Å; P443-W445 HydrophobicContact CB-CZ2 3.65Å; P443-W445 HydrophobicContact CG-CZ2 4.39Å; P443-W445 PolarHBondContact O-N 3.34Å; P443-D446 WeakPolarHBondContact O-CB 3.42Å; P443-D446 PolarHBondContact O-N 2.87Å | ||
| 444 | A | 98.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | L131 F134 E286 D446 | L131-A444 HydrophobicContact CD1-CB 3.68Å; F134-A444 HydrophobicContact CD1-CB 3.73Å; F134-A444 VanDerWaalsContact CE1-C 3.41Å; F134-A444 HydrophobicContact CE1-CB 3.74Å; F134-A444 WeakPolarHBondContact CE1-O 3.33Å; F134-A444 WeakPolarHBondContact CZ-O 3.33Å; E286-A444 HydrophobicContact CB-CB 4.3Å; E286-A444 WeakPolarHBondContact O-CA 3.39Å; E286-A444 WeakPolarHBondContact O-CB 3.36Å; A444-D446 VanDerWaalsContact C-N 3.35Å |
| 445 | W | 98 | Very high | 93.4 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 13.2 | 178.8 | 57.7 | 75.2 | 0 | 0 | 0 | 114 | R130 L131 F134 P443 | R130-W445 HydrophobicContact CB-CH2 4.41Å; R130-W445 HydrophobicContact CB-CZ3 4.27Å; R130-W445 HydrophobicContact CG-CD2 4.18Å; R130-W445 HydrophobicContact CG-CE3 3.9Å; R130-W445 HydrophobicContact CG-CH2 4.07Å; R130-W445 HydrophobicContact CG-CZ2 4.34Å; R130-W445 HydrophobicContact CG-CZ3 3.85Å; R130-W445 VanDerWaalsContact CZ-CE2 3.42Å; R130-W445 VanDerWaalsContact NE-CE2 3.28Å; R130-W445 VanDerWaalsContact NH2-CD1 3.27Å; L131-W445 HydrophobicContact CB-CZ3 4.08Å; L131-W445 HydrophobicContact CD1-CZ3 4.39Å; F134-W445 HydrophobicContact CB-CE3 4.46Å; F134-W445 HydrophobicContact CD1-CB 4.5Å; F134-W445 HydrophobicContact CD2-CB 3.63Å; F134-W445 HydrophobicContact CE2-CB 3.78Å; F134-W445 HydrophobicContact CG-CB 4.02Å; F134-W445 HydrophobicContact CZ-CB 4.29Å; P443-W445 HydrophobicContact CB-CD2 4.05Å; P443-W445 HydrophobicContact CB-CH2 4.21Å; P443-W445 HydrophobicContact CB-CZ2 3.65Å; P443-W445 HydrophobicContact CG-CZ2 4.39Å; P443-W445 PolarHBondContact O-N 3.34Å |
| 446 | D | 98.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 53.1 Ų | 53.1 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | trans | -62.1 | 137 | 178.6 | -168.1 | -82.2 | 0 | 0 | 0 | 111.2 | R274 V285 L442 P443 A444 M448 G449 | R274-D446 IonicContact CZ-OD1 3.92Å; R274-D446 IonicContact CZ-OD2 3.8Å; R274-D446 IonicContact NH1-OD1 2.67Å; R274-D446 PolarHBondContact NH1-OD1 2.89Å; R274-D446 IonicContact NH1-OD2 3.24Å; R274-D446 PolarHBondContact NH1-OD2 2.86Å; R274-D446 IonicContact NH2-OD1 3.5Å; R274-D446 PolarHBondContact NH2-OD1 3.48Å; R274-D446 IonicContact NH2-OD2 2.65Å; R274-D446 PolarHBondContact NH2-OD2 3.23Å; V285-D446 HydrophobicContact CG1-CB 4.44Å; L442-D446 HydrophobicContact CB-CB 3.94Å; P443-D446 WeakPolarHBondContact O-CB 3.42Å; P443-D446 PolarHBondContact O-N 2.87Å; A444-D446 VanDerWaalsContact C-N 3.35Å; D446-M448 PolarHBondContact O-N 3.09Å; D446-M448 VanDerWaalsContact O-N 3.12Å; D446-M448 WeakPolarHBondContact OD1-CB 3.28Å; D446-M448 PolarHBondContact OD1-N 3.12Å; D446-G449 PolarHBondContact O-N 3.03Å | ||
| 447 | P | 97.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -62.1 | -21.4 | -176.5 | 25.4 | -37 | 0 | 0 | 0 | 114 | L362 L368 G449 S450 | L362-P447 HydrophobicContact CD2-CB 4.01Å; L362-P447 HydrophobicContact CD2-CG 4.16Å; L368-P447 HydrophobicContact CB-CB 3.97Å; P447-G449 PolarHBondContact O-N 3.23Å; P447-S450 PolarHBondContact O-N 3.44Å |
| 448 | M | 97.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -73.5 | -7.3 | 174.1 | -63.6 | -58.3 | -61.1 | 0 | 0 | 112.9 | V270 D272 R274 Y299 L362 Y418 D446 | V270-M448 HydrophobicContact CB-CE 3.74Å; V270-M448 HydrophobicContact CG1-CE 4.02Å; V270-M448 HydrophobicContact CG2-CE 4.14Å; D272-M448 HydrophobicContact CB-CE 4.19Å; D272-M448 HydrophobicContact CB-CG 4.25Å; D272-M448 HydrophobicContact CB-SD 4.05Å; R274-M448 VanDerWaalsContact NH2-CG 3.34Å; Y299-M448 HydrophobicContact CD2-CB 4.43Å; Y299-M448 HydrophobicContact CE2-CB 4.13Å; Y299-M448 WeakPolarHBondContact CE2-O 3.36Å; Y299-M448 VanDerWaalsContact CZ-O 3.23Å; Y299-M448 PolarHBondContact OH-O 3.1Å; L362-M448 HydrophobicContact CD2-SD 4.31Å; Y418-M448 HydrophobicContact CD1-SD 4.38Å; D446-M448 PolarHBondContact O-N 3.09Å; D446-M448 VanDerWaalsContact O-N 3.12Å; D446-M448 WeakPolarHBondContact OD1-CB 3.28Å; D446-M448 PolarHBondContact OD1-N 3.12Å |
| 449 | G | 91.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -85.2 | -12.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q145 L288 D446 P447 | Q145-G449 PolarHBondContact NE2-O 3.05Å; L288-G449 VanDerWaalsContact CD1-O 3.29Å; L288-G449 WeakPolarHBondContact CD1-O 3.09Å; L288-G449 VanDerWaalsContact CD2-CA 3.44Å; D446-G449 PolarHBondContact O-N 3.03Å; P447-G449 PolarHBondContact O-N 3.23Å |
| 450 | S | 84.6 | Confident | 91.7 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | trans | -81.5 | 141.9 | -173.6 | 178.9 | 0 | 0 | 0 | 0 | 113.2 | Q145 L368 M369 P447 | Q145-S450 PolarHBondContact NE2-O 3.25Å; L368-S450 WeakPolarHBondContact CD1-OG 3.37Å; M369-S450 WeakPolarHBondContact CB-O 3.49Å; M369-S450 WeakPolarHBondContact CE-O 3.42Å; M369-S450 CarbonylContact O-C 3.52Å; M369-S450 VanDerWaalsContact O-C 3.27Å; M369-S450 WeakPolarHBondContact O-CB 3.33Å; M369-S450 VanDerWaalsContact O-O 3.08Å; M369-S450 PolarHBondContact O-OG 2.91Å; P447-S450 PolarHBondContact O-N 3.44Å | ||
| 451 | L | 79.9 | Confident | 91.1 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -162.8 | 117 | 163.2 | -159.7 | 159.6 | 0 | 0 | 0 | 109 | C72 W73 G143 G144 W322 M369 A372 | C72-L451 WeakPolarHBondContact SG-CD2 3.43Å; W73-L451 HydrophobicContact CB-CD1 4.37Å; W73-L451 HydrophobicContact CB-CD2 3.75Å; W73-L451 HydrophobicContact CG-CD2 4.3Å; G143-L451 CarbonylContact C-O 3.54Å; G143-L451 WeakPolarHBondContact CA-O 3.46Å; G144-L451 PolarHBondContact N-O 3.4Å; G144-L451 WeakPolarHBondContact O-CB 3.42Å; G144-L451 WeakPolarHBondContact O-CD1 3.43Å; W322-L451 HydrophobicContact CH2-CD1 3.48Å; W322-L451 VanDerWaalsContact CH2-CD1 3.48Å; W322-L451 HydrophobicContact CZ2-CD1 3.57Å; M369-L451 HydrophobicContact CE-CB 4.11Å; M369-L451 HydrophobicContact CE-CD1 3.86Å; M369-L451 HydrophobicContact CE-CG 4.26Å; M369-L451 HydrophobicContact CG-CB 4.42Å; M369-L451 HydrophobicContact CG-CD1 4.31Å; M369-L451 HydrophobicContact CG-CG 4.09Å; M369-L451 HydrophobicContact SD-CD1 3.87Å; M369-L451 HydrophobicContact SD-CG 4.3Å; A372-L451 HydrophobicContact CB-CD1 4.11Å; A372-L451 HydrophobicContact CB-CD2 4Å | ||
| 452 | A | 51.9 | Low | 90.4 | Very high | 59 Ų | 59 | 28.8 Ų | 28.8 | 49% | 0.488 | 18% | 0.178 | S | C | . | . | trans | 69.8 | 0 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | G70 C72 N141 T370 | G70-A452 WeakPolarHBondContact O-CB 3.48Å; C72-A452 VanDerWaalsContact SG-CB 3.55Å; N141-A452 PolarHBondContact ND2-O 3.29Å; N141-A452 PolarHBondContact OD1-O 3.14Å; T370-A452 WeakPolarHBondContact O-CA 3.39Å; T370-A452 PolarHBondContact O-N 3.29Å |
Retrieved 452 of 452 residues in 183.6 ms
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