| 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 | 80.9 | Confident | 88.3 | Confident | 157 Ų | 157 | 52.2 Ų | 52.2 | 77% | 0.773 | 26% | 0.259 | S | S | * | . | 0 | 138.7 | 0 | -69.1 | -98 | -86.3 | 0 | 0 | 107.8 | N794 K798 | M1-N794 HydrophobicContact CE-CB 4Å; M1-N794 HydrophobicContact SD-CB 3.74Å; M1-K798 HydrophobicContact SD-CB 4.33Å | |||
| 2 | L | 86.5 | Confident | 88.3 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | trans | -79.5 | 152.9 | 176.7 | -65.5 | 176.2 | 0 | 0 | 0 | 110.1 | K4 L7 I555 I589 V793 L797 | L2-K4 PolarHBondContact O-N 2.66Å; L2-L7 HydrophobicContact CB-CD1 4.04Å; L2-L7 HydrophobicContact CB-CD2 4.28Å; L2-L7 HydrophobicContact CB-CG 4.08Å; L2-L7 HydrophobicContact CD1-CD2 3.95Å; L2-I555 HydrophobicContact CB-CG2 4.07Å; L2-I555 HydrophobicContact CD1-CB 4.13Å; L2-I555 HydrophobicContact CD1-CG2 4.24Å; L2-I555 HydrophobicContact CD2-CB 4.38Å; L2-I555 HydrophobicContact CD2-CG2 4.14Å; L2-I555 HydrophobicContact CG-CG2 4.36Å; L2-I589 HydrophobicContact CD1-CB 4.42Å; L2-I589 HydrophobicContact CD1-CG2 4.43Å; L2-V793 HydrophobicContact CD1-CG1 4.42Å; L2-L797 HydrophobicContact CB-CD1 4.39Å; L2-L797 HydrophobicContact CD1-CD1 3.7Å; L2-L797 HydrophobicContact CG-CD1 3.65Å | ||
| 3 | P | 87.6 | Confident | 88.1 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | trans | -61.6 | 122.2 | 178.7 | -21.8 | 33.6 | 0 | 0 | 0 | 111 | K5 S6 L7 | P3-K5 PolarHBondContact O-N 2.87Å; P3-S6 PolarHBondContact O-N 2.49Å; P3-L7 PolarHBondContact O-N 3.43Å; P3-L7 VanDerWaalsContact O-N 3.08Å | ||
| 4 | K | 88.1 | Confident | 88.1 | Confident | 109 Ų | 109 | 43.8 Ų | 43.8 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -52.8 | -42.1 | 178.7 | -73.3 | -161 | 172.9 | -147.2 | 0 | 111.7 | L2 S6 L7 S8 V790 D791 | L2-K4 PolarHBondContact O-N 2.66Å; K4-S6 VanDerWaalsContact C-N 3.29Å; K4-S6 PolarHBondContact O-N 3.27Å; K4-L7 PolarHBondContact O-N 2.88Å; K4-S8 WeakPolarHBondContact O-CB 3.2Å; K4-S8 PolarHBondContact O-N 2.88Å; K4-S8 PolarHBondContact O-OG 3.34Å; K4-V790 HydrophobicContact CB-CG1 4.25Å; K4-V790 HydrophobicContact CD-CG1 4.08Å; K4-V790 HydrophobicContact CG-CG1 3.88Å; K4-D791 IonicContact NZ-OD1 2.99Å; K4-D791 PolarHBondContact NZ-OD1 2.59Å |
| 5 | K | 88.8 | Confident | 88 | Confident | 172 Ų | 172 | 42.1 Ų | 42.1 | 75% | 0.748 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -58.6 | -39.2 | 178.9 | -171.6 | 179.4 | -179.8 | -176.7 | 0 | 112.6 | P3 T9 | P3-K5 PolarHBondContact O-N 2.87Å; K5-T9 VanDerWaalsContact O-CB 3.3Å; K5-T9 WeakPolarHBondContact O-CB 3.05Å; K5-T9 PolarHBondContact O-N 2.91Å; K5-T9 PolarHBondContact O-OG1 3.1Å |
| 6 | S | 89.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.9 | -38.9 | -177.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | P3 K4 T9 L10 E554 | P3-S6 PolarHBondContact O-N 2.49Å; K4-S6 VanDerWaalsContact C-N 3.29Å; K4-S6 PolarHBondContact O-N 3.27Å; S6-T9 WeakPolarHBondContact O-CB 3.49Å; S6-T9 PolarHBondContact O-N 3.06Å; S6-L10 PolarHBondContact O-N 3.36Å; S6-E554 VanDerWaalsContact CB-OE1 3.24Å; S6-E554 WeakPolarHBondContact CB-OE1 3.17Å; S6-E554 PolarHBondContact OG-OE1 2.85Å |
| 7 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 169.5 | -70.4 | 177.4 | 0 | 0 | 0 | 112 | L2 P3 K4 T9 L10 F11 I589 F789 V790 V793 | L2-L7 HydrophobicContact CB-CD1 4.04Å; L2-L7 HydrophobicContact CB-CD2 4.28Å; L2-L7 HydrophobicContact CB-CG 4.08Å; L2-L7 HydrophobicContact CD1-CD2 3.95Å; P3-L7 PolarHBondContact O-N 3.43Å; P3-L7 VanDerWaalsContact O-N 3.08Å; K4-L7 PolarHBondContact O-N 2.88Å; L7-T9 PolarHBondContact O-N 3.07Å; L7-L10 PolarHBondContact O-N 3.41Å; L7-F11 PolarHBondContact O-N 3.29Å; L7-I589 HydrophobicContact CD2-CG2 4.01Å; L7-F789 HydrophobicContact CB-CE1 4.36Å; L7-F789 HydrophobicContact CD2-CE1 4.37Å; L7-V790 HydrophobicContact CB-CG2 4.06Å; L7-V790 HydrophobicContact CD1-CG1 4.38Å; L7-V793 HydrophobicContact CD1-CB 4.16Å; L7-V793 HydrophobicContact CD1-CG1 3.76Å; L7-V793 HydrophobicContact CD2-CG1 3.9Å |
| 8 | S | 90.3 | Very high | 87.7 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -37.9 | 175.4 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | K4 G12 | K4-S8 WeakPolarHBondContact O-CB 3.2Å; K4-S8 PolarHBondContact O-N 2.88Å; K4-S8 PolarHBondContact O-OG 3.34Å; S8-G12 PolarHBondContact O-N 3.22Å |
| 9 | T | 89.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -48.3 | 178.9 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | K5 S6 L7 G12 F13 F48 K550 L552 | K5-T9 VanDerWaalsContact O-CB 3.3Å; K5-T9 WeakPolarHBondContact O-CB 3.05Å; K5-T9 PolarHBondContact O-N 2.91Å; K5-T9 PolarHBondContact O-OG1 3.1Å; S6-T9 WeakPolarHBondContact O-CB 3.49Å; S6-T9 PolarHBondContact O-N 3.06Å; L7-T9 PolarHBondContact O-N 3.07Å; T9-G12 PolarHBondContact O-N 3.04Å; T9-F13 HydrophobicContact CG2-CD2 3.77Å; T9-F13 HydrophobicContact CG2-CE2 3.31Å; T9-F13 HydrophobicContact CG2-CZ 4.22Å; T9-F13 WeakPolarHBondContact O-CD2 3.25Å; T9-F13 PolarHBondContact O-N 3.41Å; T9-F13 VanDerWaalsContact O-N 3.13Å; T9-F48 HydrophobicContact CG2-CZ 4.15Å; T9-K550 HydrophobicContact CG2-CD 3.93Å; T9-L552 HydrophobicContact CG2-CD1 4.5Å; T9-L552 HydrophobicContact CG2-CD2 4.35Å |
| 10 | L | 90.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.7 | -53.9 | 175.6 | 176.7 | 65 | 0 | 0 | 0 | 111.1 | S6 L7 G12 F13 L14 V543 L552 I555 I589 | S6-L10 PolarHBondContact O-N 3.36Å; L7-L10 PolarHBondContact O-N 3.41Å; L10-G12 VanDerWaalsContact C-N 3.3Å; L10-G12 PolarHBondContact O-N 3.27Å; L10-F13 PolarHBondContact O-N 2.91Å; L10-F13 VanDerWaalsContact O-N 3.1Å; L10-L14 HydrophobicContact CD1-CD1 3.86Å; L10-L14 HydrophobicContact CD1-CG 4.2Å; L10-L14 HydrophobicContact CG-CD1 3.86Å; L10-L14 HydrophobicContact CG-CG 4.49Å; L10-L14 WeakPolarHBondContact O-CG 3.17Å; L10-L14 PolarHBondContact O-N 3.43Å; L10-V543 HydrophobicContact CD1-CG1 4.4Å; L10-L552 HydrophobicContact CB-CD1 4.05Å; L10-L552 HydrophobicContact CD1-CD1 4.23Å; L10-I555 HydrophobicContact CB-CD1 3.84Å; L10-I555 HydrophobicContact CD2-CD1 3.73Å; L10-I555 HydrophobicContact CG-CD1 4.32Å; L10-I589 HydrophobicContact CD2-CG2 3.7Å |
| 11 | F | 89.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | -177.8 | -169 | -112.9 | 0 | 0 | 0 | 112.1 | L7 F13 L14 N15 T47 P581 M582 S785 L786 F789 | L7-F11 PolarHBondContact O-N 3.29Å; F11-F13 VanDerWaalsContact C-N 3.29Å; F11-F13 PolarHBondContact O-N 3.39Å; F11-L14 PolarHBondContact O-N 2.57Å; F11-N15 WeakPolarHBondContact CD1-ND2 3.43Å; F11-N15 WeakPolarHBondContact CE1-ND2 3.24Å; F11-N15 PolarHBondContact O-N 2.99Å; F11-N15 PolarHBondContact O-ND2 3.05Å; F11-T47 HydrophobicContact CD1-CG2 4.25Å; F11-T47 HydrophobicContact CE1-CG2 4.4Å; F11-P581 HydrophobicContact CE2-CB 4.08Å; F11-M582 HydrophobicContact CE2-CB 4.4Å; F11-S785 WeakPolarHBondContact CE1-O 3.48Å; F11-L786 HydrophobicContact CB-CD1 4.22Å; F11-L786 HydrophobicContact CD1-CB 4.45Å; F11-L786 HydrophobicContact CD1-CD1 3.79Å; F11-L786 HydrophobicContact CG-CD1 4.48Å; F11-F789 HydrophobicContact CB-CD1 3.45Å; F11-F789 VanDerWaalsContact CB-CD1 3.45Å; F11-F789 HydrophobicContact CB-CE1 3.69Å; F11-F789 HydrophobicContact CB-CG 3.98Å; F11-F789 HydrophobicContact CB-CZ 4.39Å; F11-F789 HydrophobicContact CD1-CB 3.93Å; F11-F789 HydrophobicContact CD1-CD1 4.37Å; F11-F789 HydrophobicContact CD1-CG 4.2Å; F11-F789 HydrophobicContact CD2-CB 3.83Å; F11-F789 AromaticContact CD2-CD1 3.8Å; F11-F789 HydrophobicContact CD2-CD1 3.8Å; F11-F789 AromaticContact CD2-CD2 3.49Å; F11-F789 HydrophobicContact CD2-CD2 3.49Å; F11-F789 VanDerWaalsContact CD2-CD2 3.49Å; F11-F789 HydrophobicContact CD2-CE1 4.21Å; F11-F789 AromaticContact CD2-CE2 3.94Å; F11-F789 HydrophobicContact CD2-CE2 3.94Å; F11-F789 AromaticContact CD2-CG 3.4Å; F11-F789 HydrophobicContact CD2-CG 3.4Å; F11-F789 HydrophobicContact CD2-CZ 4.27Å; F11-F789 HydrophobicContact CE1-CB 4Å; F11-F789 HydrophobicContact CE2-CB 3.91Å; F11-F789 AromaticContact CE2-CD2 3.79Å; F11-F789 HydrophobicContact CE2-CD2 3.79Å; F11-F789 AromaticContact CE2-CG 3.87Å; F11-F789 HydrophobicContact CE2-CG 3.87Å; F11-F789 HydrophobicContact CG-CB 3.84Å; F11-F789 AromaticContact CG-CD1 3.62Å; F11-F789 HydrophobicContact CG-CD1 3.62Å; F11-F789 HydrophobicContact CG-CD2 4.17Å; F11-F789 HydrophobicContact CG-CE1 4.19Å; F11-F789 AromaticContact CG-CG 3.59Å; F11-F789 HydrophobicContact CG-CG 3.59Å; F11-F789 HydrophobicContact CZ-CB 3.99Å; F11-F789 HydrophobicContact CZ-CG 4.43Å |
| 12 | G | 88.5 | Confident | 87.8 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -35.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S8 T9 L10 T47 | S8-G12 PolarHBondContact O-N 3.22Å; T9-G12 PolarHBondContact O-N 3.04Å; L10-G12 VanDerWaalsContact C-N 3.3Å; L10-G12 PolarHBondContact O-N 3.27Å; G12-T47 WeakPolarHBondContact CA-OG1 3.28Å |
| 13 | F | 85.9 | Confident | 88 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -78.2 | -33 | 176.1 | -71.4 | -50.7 | 0 | 0 | 0 | 113.9 | T9 L10 F11 N15 F546 T547 F548 K550 | T9-F13 HydrophobicContact CG2-CD2 3.77Å; T9-F13 HydrophobicContact CG2-CE2 3.31Å; T9-F13 HydrophobicContact CG2-CZ 4.22Å; T9-F13 WeakPolarHBondContact O-CD2 3.25Å; T9-F13 PolarHBondContact O-N 3.41Å; T9-F13 VanDerWaalsContact O-N 3.13Å; L10-F13 PolarHBondContact O-N 2.91Å; L10-F13 VanDerWaalsContact O-N 3.1Å; F11-F13 VanDerWaalsContact C-N 3.29Å; F11-F13 PolarHBondContact O-N 3.39Å; F13-N15 VanDerWaalsContact C-N 3.26Å; F13-N15 PolarHBondContact O-N 2.94Å; F13-F546 HydrophobicContact CB-CB 4.4Å; F13-F546 WeakPolarHBondContact CB-O 3.1Å; F13-F546 WeakPolarHBondContact CD1-O 3.5Å; F13-F546 WeakPolarHBondContact CG-O 3.33Å; F13-T547 HydrophobicContact CD2-CG2 3.96Å; F13-F548 AromaticContact CD1-CD2 3.83Å; F13-F548 HydrophobicContact CD1-CD2 3.83Å; F13-F548 HydrophobicContact CD1-CE2 4.03Å; F13-F548 AromaticContact CE1-CD2 3.57Å; F13-F548 HydrophobicContact CE1-CD2 3.57Å; F13-F548 HydrophobicContact CE1-CE2 4.09Å; F13-F548 HydrophobicContact CZ-CD2 4.36Å; F13-K550 HydrophobicContact CE2-CD 3.95Å; F13-K550 HydrophobicContact CZ-CD 4.13Å |
| 14 | L | 87.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.4 | -18.3 | 176.9 | -66.4 | 174.6 | 0 | 0 | 0 | 113 | L10 F11 T16 F546 W579 P581 A584 | L10-L14 HydrophobicContact CD1-CD1 3.86Å; L10-L14 HydrophobicContact CD1-CG 4.2Å; L10-L14 HydrophobicContact CG-CD1 3.86Å; L10-L14 HydrophobicContact CG-CG 4.49Å; L10-L14 WeakPolarHBondContact O-CG 3.17Å; L10-L14 PolarHBondContact O-N 3.43Å; F11-L14 PolarHBondContact O-N 2.57Å; L14-T16 PolarHBondContact O-N 2.85Å; L14-F546 HydrophobicContact CD2-CB 4.42Å; L14-F546 HydrophobicContact CD2-CD1 4.43Å; L14-F546 HydrophobicContact CD2-CD2 4.41Å; L14-F546 HydrophobicContact CD2-CG 4.17Å; L14-W579 HydrophobicContact CD2-CH2 4.02Å; L14-W579 HydrophobicContact CD2-CZ2 4Å; L14-W579 PolarHBondContact O-NE1 3.35Å; L14-P581 HydrophobicContact CB-CB 4.3Å; L14-P581 WeakPolarHBondContact O-CB 3.39Å; L14-P581 WeakPolarHBondContact O-CG 3.1Å; L14-A584 HydrophobicContact CD1-CB 4.13Å; L14-A584 HydrophobicContact CD2-CB 4.2Å |
| 15 | N | 87.1 | Confident | 88.2 | Confident | 18 Ų | 18 | 27.5 Ų | 27.5 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -71.1 | 70 | 165 | -82.2 | -82.5 | 0 | 0 | 0 | 109.8 | F11 F13 | F11-N15 WeakPolarHBondContact CD1-ND2 3.43Å; F11-N15 WeakPolarHBondContact CE1-ND2 3.24Å; F11-N15 PolarHBondContact O-N 2.99Å; F11-N15 PolarHBondContact O-ND2 3.05Å; F13-N15 VanDerWaalsContact C-N 3.26Å; F13-N15 PolarHBondContact O-N 2.94Å |
| 16 | T | 85.9 | Confident | 88.2 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 155.9 | 173.6 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | L14 V18 P458 F546 W579 | L14-T16 PolarHBondContact O-N 2.85Å; T16-V18 PolarHBondContact O-N 2.85Å; T16-P458 HydrophobicContact CG2-CB 3.91Å; T16-P458 HydrophobicContact CG2-CG 4.47Å; T16-F546 HydrophobicContact CG2-CD1 3.81Å; T16-F546 HydrophobicContact CG2-CE1 3.78Å; T16-W579 HydrophobicContact CG2-CZ2 4.31Å; T16-W579 PolarHBondContact OG1-NE1 3.23Å |
| 17 | P | 86.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -53.3 | 135.5 | 171.2 | -22.9 | 32.7 | 0 | 0 | 0 | 111.6 | W42 Q44 Y55 L490 | P17-W42 HydrophobicContact CB-CB 4.29Å; P17-W42 HydrophobicContact CB-CD2 4.39Å; P17-W42 HydrophobicContact CB-CE3 3.76Å; P17-Q44 HydrophobicContact CB-CB 4.26Å; P17-Q44 HydrophobicContact CG-CB 4.18Å; P17-Q44 HydrophobicContact CG-CG 4.13Å; P17-Y55 HydrophobicContact CB-CE1 4.26Å; P17-Y55 WeakPolarHBondContact CB-OH 3.44Å; P17-Y55 HydrophobicContact CG-CE1 4.28Å; P17-Y55 WeakPolarHBondContact CG-OH 3.43Å; P17-L490 HydrophobicContact CG-CD1 3.72Å; P17-L490 HydrophobicContact CG-CD2 4.29Å; P17-L490 HydrophobicContact CG-CG 3.98Å |
| 18 | V | 86.2 | Confident | 86.9 | Confident | 75 Ų | 75 | 29.4 Ų | 29.4 | 46% | 0.455 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.2 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | T16 S20 W42 T43 | T16-V18 PolarHBondContact O-N 2.85Å; V18-S20 PolarHBondContact O-N 3.42Å; V18-S20 VanDerWaalsContact O-N 3.14Å; V18-W42 WeakPolarHBondContact O-CA 3.34Å; V18-T43 PolarHBondContact N-O 3.23Å; V18-T43 PolarHBondContact O-N 2.9Å |
| 19 | L | 87 | Confident | 85.6 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 108.3 | 175.4 | -172.3 | 61.5 | 0 | 0 | 0 | 108.3 | E21 I22 W42 L441 I461 | L19-E21 WeakPolarHBondContact CD1-O 3.49Å; L19-I22 HydrophobicContact CD1-CB 4.24Å; L19-I22 HydrophobicContact CD1-CD1 4.3Å; L19-I22 HydrophobicContact CD2-CB 4.23Å; L19-I22 HydrophobicContact CD2-CD1 4.07Å; L19-I22 HydrophobicContact CD2-CG2 4.3Å; L19-I22 HydrophobicContact CG-CB 4.43Å; L19-W42 HydrophobicContact CB-CD2 4.48Å; L19-W42 HydrophobicContact CB-CE3 3.98Å; L19-W42 HydrophobicContact CB-CH2 4.08Å; L19-W42 HydrophobicContact CB-CZ3 3.77Å; L19-W42 HydrophobicContact CD1-CD2 3.94Å; L19-W42 HydrophobicContact CD1-CE3 4.29Å; L19-W42 HydrophobicContact CD1-CG 4.49Å; L19-W42 HydrophobicContact CD1-CH2 4.14Å; L19-W42 HydrophobicContact CD1-CZ2 3.78Å; L19-W42 HydrophobicContact CD1-CZ3 4.38Å; L19-L441 HydrophobicContact CD2-CD1 3.21Å; L19-L441 HydrophobicContact CG-CD1 3.86Å; L19-I461 HydrophobicContact CD1-CD1 4.48Å; L19-I461 HydrophobicContact CD1-CG1 4.45Å; L19-I461 HydrophobicContact CD2-CG1 3.78Å |
| 20 | S | 82.1 | Confident | 84 | Confident | 70 Ų | 70 | 39.4 Ų | 39.4 | 49% | 0.49 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -38.6 | -178.5 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | V18 E41 | V18-S20 PolarHBondContact O-N 3.42Å; V18-S20 VanDerWaalsContact O-N 3.14Å; S20-E41 PolarHBondContact N-O 2.63Å; S20-E41 VanDerWaalsContact OG-C 3.31Å; S20-E41 PolarHBondContact OG-O 3.28Å |
| 21 | E | 84.7 | Confident | 82.2 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150 | 174.9 | -171.7 | 174.4 | 177.4 | 0 | 0 | 109.7 | L19 K23 E41 | L19-E21 WeakPolarHBondContact CD1-O 3.49Å; E21-K23 HydrophobicContact CG-CG 4.43Å; E21-K23 WeakPolarHBondContact OE1-CE 3.17Å; E21-K23 IonicContact OE1-NZ 3.9Å; E21-E41 HydrophobicContact CB-CB 4.28Å; E21-E41 PolarHBondContact N-O 3.16Å; E21-E41 PolarHBondContact O-N 2.86Å |
| 22 | I | 91.1 | Very high | 80.6 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.7 | 167.5 | -165.9 | 155.6 | 0 | 0 | 0 | 109.2 | L19 I38 I39 L441 D442 V449 I461 | L19-I22 HydrophobicContact CD1-CB 4.24Å; L19-I22 HydrophobicContact CD1-CD1 4.3Å; L19-I22 HydrophobicContact CD2-CB 4.23Å; L19-I22 HydrophobicContact CD2-CD1 4.07Å; L19-I22 HydrophobicContact CD2-CG2 4.3Å; L19-I22 HydrophobicContact CG-CB 4.43Å; I22-I38 HydrophobicContact CD1-CG2 3.66Å; I22-I38 HydrophobicContact CG1-CG2 3.68Å; I22-I39 CarbonylContact C-O 3.57Å; I22-I39 WeakPolarHBondContact CA-O 3.49Å; I22-L441 HydrophobicContact CB-CD1 4.39Å; I22-L441 HydrophobicContact CG2-CB 3.33Å; I22-L441 HydrophobicContact CG2-CD1 3.43Å; I22-L441 VanDerWaalsContact CG2-CD1 3.43Å; I22-L441 HydrophobicContact CG2-CG 4.02Å; I22-D442 WeakPolarHBondContact O-CB 3.47Å; I22-V449 HydrophobicContact CD1-CG1 3.37Å; I22-V449 HydrophobicContact CG1-CG1 3.81Å; I22-V449 HydrophobicContact CG2-CB 4.34Å; I22-V449 HydrophobicContact CG2-CG1 3.91Å; I22-I461 HydrophobicContact CD1-CB 4.3Å; I22-I461 HydrophobicContact CD1-CD1 3.49Å; I22-I461 VanDerWaalsContact CD1-CD1 3.49Å; I22-I461 HydrophobicContact CD1-CG1 3.63Å; I22-I461 HydrophobicContact CD1-CG2 3.66Å |
| 23 | K | 91.5 | Very high | 79.6 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.6 | 176.4 | -63.5 | -68.5 | 179.8 | -177.9 | 0 | 110.4 | E21 F25 I38 I39 D381 D442 | E21-K23 HydrophobicContact CG-CG 4.43Å; E21-K23 WeakPolarHBondContact OE1-CE 3.17Å; E21-K23 IonicContact OE1-NZ 3.9Å; K23-F25 HydrophobicContact CB-CD2 4.38Å; K23-F25 HydrophobicContact CB-CE1 4.48Å; K23-F25 HydrophobicContact CB-CE2 3.4Å; K23-F25 VanDerWaalsContact CB-CE2 3.4Å; K23-F25 HydrophobicContact CB-CZ 3.47Å; K23-F25 VanDerWaalsContact CB-CZ 3.47Å; K23-F25 HydrophobicContact CG-CZ 4.26Å; K23-I38 WeakPolarHBondContact O-CA 3.23Å; K23-I39 PolarHBondContact N-O 3.45Å; K23-I39 PolarHBondContact O-N 3.2Å; K23-D381 IonicContact NZ-OD2 3.17Å; K23-D381 PolarHBondContact NZ-OD2 3.42Å; K23-D442 VanDerWaalsContact CA-OD2 3.29Å; K23-D442 WeakPolarHBondContact CA-OD2 3.43Å |
| 24 | V | 92.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.6 | 172 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | Y36 S37 I38 R382 D442 I447 V449 | V24-Y36 HydrophobicContact CG2-CD1 4.11Å; V24-S37 WeakPolarHBondContact CA-O 3.49Å; V24-I38 HydrophobicContact CB-CG1 4.3Å; V24-I38 HydrophobicContact CG2-CG1 4.2Å; V24-R382 PolarHBondContact O-NH2 3.1Å; V24-D442 VanDerWaalsContact CG1-OD2 3.23Å; V24-D442 WeakPolarHBondContact CG1-OD2 3.35Å; V24-D442 PolarHBondContact N-OD2 2.92Å; V24-I447 HydrophobicContact CG2-CB 4.05Å; V24-I447 HydrophobicContact CG2-CG2 3.92Å; V24-V449 HydrophobicContact CB-CG2 3.87Å; V24-V449 HydrophobicContact CG1-CG2 3.95Å |
| 25 | F | 88.7 | Confident | 79.7 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.1 | -179 | -55.1 | -87.2 | 0 | 0 | 0 | 109.6 | K23 Y36 S37 I39 P106 | K23-F25 HydrophobicContact CB-CD2 4.38Å; K23-F25 HydrophobicContact CB-CE1 4.48Å; K23-F25 HydrophobicContact CB-CE2 3.4Å; K23-F25 VanDerWaalsContact CB-CE2 3.4Å; K23-F25 HydrophobicContact CB-CZ 3.47Å; K23-F25 VanDerWaalsContact CB-CZ 3.47Å; K23-F25 HydrophobicContact CG-CZ 4.26Å; F25-Y36 CarbonylContact O-C 3.55Å; F25-Y36 WeakPolarHBondContact O-CA 3.46Å; F25-Y36 WeakPolarHBondContact O-CB 3.48Å; F25-S37 PolarHBondContact N-O 2.87Å; F25-S37 PolarHBondContact O-N 3.08Å; F25-I39 HydrophobicContact CD2-CD1 4.1Å; F25-I39 HydrophobicContact CD2-CG1 4.26Å; F25-I39 HydrophobicContact CE2-CB 4.37Å; F25-I39 HydrophobicContact CE2-CD1 3.79Å; F25-I39 HydrophobicContact CE2-CG1 4.08Å; F25-P106 WeakPolarHBondContact CD1-O 3.1Å; F25-P106 WeakPolarHBondContact CE1-O 3.33Å |
| 26 | K | 87.7 | Confident | 79.9 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134.3 | 169.5 | -171.1 | 176.6 | -161.2 | 146 | 0 | 109.4 | P28 C33 Y36 Y444 D445 | K26-P28 WeakPolarHBondContact O-CD 3.5Å; K26-C33 VanDerWaalsContact CE-O 3.26Å; K26-C33 WeakPolarHBondContact CE-O 3.41Å; K26-Y36 HydrophobicContact CB-CD1 4.19Å; K26-Y36 HydrophobicContact CB-CE1 3.93Å; K26-Y36 HydrophobicContact CG-CE1 4.04Å; K26-Y444 HydrophobicContact CB-CE1 3.91Å; K26-D445 WeakPolarHBondContact CD-OD2 3.42Å; K26-D445 IonicContact NZ-OD2 2.91Å; K26-D445 PolarHBondContact NZ-OD2 3.11Å |
| 27 | C | 84.4 | Confident | 80.1 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | trans | -74.7 | 120.9 | 178.3 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | H30 E35 | C27-H30 HydrophobicContact CB-CB 4.49Å; C27-E35 HydrophobicContact CB-CB 4.31Å; C27-E35 WeakPolarHBondContact CB-O 3.36Å; C27-E35 PolarHBondContact N-O 2.94Å | ||
| 28 | P | 68.6 | Low | 80.4 | Confident | 122 Ų | 122 | 55.2 Ų | 55.2 | 79% | 0.792 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -74.9 | -33.4 | -176.8 | 26.5 | -32.3 | 0 | 0 | 0 | 113.7 | K26 | K26-P28 WeakPolarHBondContact O-CD 3.5Š|
| 29 | D | 63.1 | Low | 80.6 | Confident | 153 Ų | 153 | 53.5 Ų | 53.5 | 82% | 0.818 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -99.1 | 3.2 | -165.2 | -70 | -29.5 | 0 | 0 | 0 | 114.9 | ||
| 30 | H | 54.9 | Low | 80.8 | Confident | 93 Ų | 93 | 52.8 Ų | 52.8 | 43% | 0.431 | 30% | 0.301 | S | S | . | . | trans | -92.3 | 129.4 | -177.9 | -79.1 | -107.3 | 0 | 0 | 0 | 111.3 | C27 K32 E35 | C27-H30 HydrophobicContact CB-CB 4.49Å; H30-K32 CarbonylContact O-C 3.52Å; H30-K32 PolarHBondContact O-N 3Å; H30-E35 HydrophobicContact CB-CB 4.5Å; H30-E35 WeakPolarHBondContact CB-OE2 2.92Å; H30-E35 IonicContact CD2-OE2 3.91Å; H30-E35 IonicContact CE1-OE2 3.63Å; H30-E35 PolarHBondContact CE1-OE2 3.2Å; H30-E35 IonicContact CG-OE2 2.86Å; H30-E35 IonicContact ND1-OE2 3.53Å; H30-E35 PolarHBondContact ND1-OE2 2.68Å | ||
| 31 | A | 52.1 | Low | 81.1 | Confident | 112 Ų | 112 | 51.7 Ų | 51.7 | 93% | 0.926 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -57.1 | -11.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 32 | K | 56.7 | Low | 81.3 | Confident | 106 Ų | 106 | 48.6 Ų | 48.6 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -104.8 | 113.8 | 172.9 | -61.4 | -179.9 | -171.5 | 168.8 | 0 | 108.5 | H30 N34 E35 | H30-K32 CarbonylContact O-C 3.52Å; H30-K32 PolarHBondContact O-N 3Å; K32-N34 PolarHBondContact O-N 3.32Å; K32-E35 HydrophobicContact CB-CG 4.29Å |
| 33 | C | 68.5 | Low | 81 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 68% | 0.676 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 13.9 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 116 | K26 | K26-C33 VanDerWaalsContact CE-O 3.26Å; K26-C33 WeakPolarHBondContact CE-O 3.41Å |
| 34 | N | 84.3 | Confident | 80.8 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 9.5 | -164.9 | -78.3 | 13.2 | 0 | 0 | 0 | 113.6 | K32 L63 | K32-N34 PolarHBondContact O-N 3.32Å; N34-L63 HydrophobicContact CB-CB 4.02Å; N34-L63 PolarHBondContact O-N 3.02Å |
| 35 | E | 89.8 | Confident | 80.4 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.1 | -177.8 | -57.3 | -170.6 | -175.7 | 0 | 0 | 112.1 | C27 H30 K32 T62 | C27-E35 HydrophobicContact CB-CB 4.31Å; C27-E35 WeakPolarHBondContact CB-O 3.36Å; C27-E35 PolarHBondContact N-O 2.94Å; H30-E35 HydrophobicContact CB-CB 4.5Å; H30-E35 WeakPolarHBondContact CB-OE2 2.92Å; H30-E35 IonicContact CD2-OE2 3.91Å; H30-E35 IonicContact CE1-OE2 3.63Å; H30-E35 PolarHBondContact CE1-OE2 3.2Å; H30-E35 IonicContact CG-OE2 2.86Å; H30-E35 IonicContact ND1-OE2 3.53Å; H30-E35 PolarHBondContact ND1-OE2 2.68Å; K32-E35 HydrophobicContact CB-CG 4.29Å; E35-T62 HydrophobicContact CG-CG2 4.48Å; E35-T62 WeakPolarHBondContact CG-OG1 3.45Å |
| 36 | Y | 91.5 | Very high | 80.1 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.6 | -176 | -65 | -93.7 | 0 | 0 | 0 | 111.2 | V24 F25 K26 L60 V61 L63 D445 I447 K467 | V24-Y36 HydrophobicContact CG2-CD1 4.11Å; F25-Y36 CarbonylContact O-C 3.55Å; F25-Y36 WeakPolarHBondContact O-CA 3.46Å; F25-Y36 WeakPolarHBondContact O-CB 3.48Å; K26-Y36 HydrophobicContact CB-CD1 4.19Å; K26-Y36 HydrophobicContact CB-CE1 3.93Å; K26-Y36 HydrophobicContact CG-CE1 4.04Å; Y36-L60 CarbonylContact O-C 3.5Å; Y36-L60 WeakPolarHBondContact O-CA 3.36Å; Y36-V61 PolarHBondContact N-O 3.09Å; Y36-V61 PolarHBondContact O-N 2.61Å; Y36-L63 HydrophobicContact CD2-CD1 4.21Å; Y36-L63 HydrophobicContact CD2-CG 4.02Å; Y36-L63 HydrophobicContact CE2-CD1 3.3Å; Y36-L63 HydrophobicContact CE2-CG 3.59Å; Y36-D445 HydrophobicContact CE1-CB 3.98Å; Y36-D445 PolarHBondContact OH-OD2 3.21Å; Y36-I447 HydrophobicContact CD1-CG1 3.86Å; Y36-I447 HydrophobicContact CD2-CG1 4.28Å; Y36-I447 HydrophobicContact CE1-CG1 3.71Å; Y36-I447 HydrophobicContact CE2-CD1 4.44Å; Y36-I447 HydrophobicContact CE2-CG1 4.17Å; Y36-I447 HydrophobicContact CG-CG1 4.15Å; Y36-K467 WeakPolarHBondContact OH-CE 3.3Å |
| 37 | S | 91.4 | Very high | 79.6 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.5 | 171.8 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | V24 F25 T58 Y59 | V24-S37 WeakPolarHBondContact CA-O 3.49Å; F25-S37 PolarHBondContact N-O 2.87Å; F25-S37 PolarHBondContact O-N 3.08Å; S37-T58 WeakPolarHBondContact OG-CG2 3.34Å; S37-Y59 CarbonylContact C-O 3.53Å; S37-Y59 WeakPolarHBondContact CA-O 3.46Å |
| 38 | I | 92.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.6 | 174.2 | -57.7 | 176 | 0 | 0 | 0 | 107.7 | I22 K23 V24 T58 Y59 V61 V449 V463 L486 | I22-I38 HydrophobicContact CD1-CG2 3.66Å; I22-I38 HydrophobicContact CG1-CG2 3.68Å; K23-I38 WeakPolarHBondContact O-CA 3.23Å; V24-I38 HydrophobicContact CB-CG1 4.3Å; V24-I38 HydrophobicContact CG2-CG1 4.2Å; I38-T58 CarbonylContact O-C 3.58Å; I38-T58 VanDerWaalsContact O-CA 3.31Å; I38-T58 WeakPolarHBondContact O-CA 3.46Å; I38-Y59 HydrophobicContact CB-CD2 4.5Å; I38-Y59 PolarHBondContact N-O 2.89Å; I38-Y59 PolarHBondContact O-N 3.35Å; I38-V61 HydrophobicContact CD1-CG2 3.94Å; I38-V449 HydrophobicContact CD1-CG2 4.11Å; I38-V449 HydrophobicContact CG1-CG2 4.42Å; I38-V449 HydrophobicContact CG2-CG1 4.36Å; I38-V449 HydrophobicContact CG2-CG2 4.4Å; I38-V463 HydrophobicContact CD1-CB 4.38Å; I38-V463 HydrophobicContact CD1-CG1 3.91Å; I38-V463 HydrophobicContact CD1-CG2 3.52Å; I38-L486 HydrophobicContact CD1-CD1 4.44Å |
| 39 | I | 90.8 | Very high | 79.8 | Confident | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.205 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.3 | 178.3 | -53.3 | 178.8 | 0 | 0 | 0 | 107.6 | I22 K23 F25 T58 | I22-I39 CarbonylContact C-O 3.57Å; I22-I39 WeakPolarHBondContact CA-O 3.49Å; K23-I39 PolarHBondContact N-O 3.45Å; K23-I39 PolarHBondContact O-N 3.2Å; F25-I39 HydrophobicContact CD2-CD1 4.1Å; F25-I39 HydrophobicContact CD2-CG1 4.26Å; F25-I39 HydrophobicContact CE2-CB 4.37Å; F25-I39 HydrophobicContact CE2-CD1 3.79Å; F25-I39 HydrophobicContact CE2-CG1 4.08Å; I39-T58 HydrophobicContact CG1-CG2 4.19Å |
| 40 | S | 91.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.1 | 176 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | W42 S56 R57 Y59 | S40-W42 VanDerWaalsContact CB-NE1 3.31Å; S40-W42 PolarHBondContact OG-NE1 3.49Å; S40-S56 CarbonylContact O-C 3.51Å; S40-S56 WeakPolarHBondContact O-CA 3.48Å; S40-S56 WeakPolarHBondContact O-CB 3.4Å; S40-R57 PolarHBondContact N-O 2.83Å; S40-R57 PolarHBondContact O-N 3.49Å; S40-R57 PolarHBondContact OG-O 3.08Å; S40-Y59 WeakPolarHBondContact OG-CE2 3.42Å |
| 41 | E | 87.9 | Confident | 81.9 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 22% | 0.22 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.6 | 171 | -57.2 | -165.6 | 177.6 | 0 | 0 | 108.5 | S20 E21 K104 | S20-E41 PolarHBondContact N-O 2.63Å; S20-E41 VanDerWaalsContact OG-C 3.31Å; S20-E41 PolarHBondContact OG-O 3.28Å; E21-E41 HydrophobicContact CB-CB 4.28Å; E21-E41 PolarHBondContact N-O 3.16Å; E21-E41 PolarHBondContact O-N 2.86Å; E41-K104 IonicContact OE1-NZ 3.33Å; E41-K104 PolarHBondContact OE1-NZ 2.62Å |
| 42 | W | 88 | Confident | 83.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.8 | -172.5 | -61.7 | 84.3 | 0 | 0 | 0 | 109.4 | P17 V18 L19 S40 S54 Y55 I461 D488 | P17-W42 HydrophobicContact CB-CB 4.29Å; P17-W42 HydrophobicContact CB-CD2 4.39Å; P17-W42 HydrophobicContact CB-CE3 3.76Å; V18-W42 WeakPolarHBondContact O-CA 3.34Å; L19-W42 HydrophobicContact CB-CD2 4.48Å; L19-W42 HydrophobicContact CB-CE3 3.98Å; L19-W42 HydrophobicContact CB-CH2 4.08Å; L19-W42 HydrophobicContact CB-CZ3 3.77Å; L19-W42 HydrophobicContact CD1-CD2 3.94Å; L19-W42 HydrophobicContact CD1-CE3 4.29Å; L19-W42 HydrophobicContact CD1-CG 4.49Å; L19-W42 HydrophobicContact CD1-CH2 4.14Å; L19-W42 HydrophobicContact CD1-CZ2 3.78Å; L19-W42 HydrophobicContact CD1-CZ3 4.38Å; S40-W42 VanDerWaalsContact CB-NE1 3.31Å; S40-W42 PolarHBondContact OG-NE1 3.49Å; W42-S54 VanDerWaalsContact O-CA 3.24Å; W42-S54 WeakPolarHBondContact O-CA 3.43Å; W42-Y55 HydrophobicContact CB-CD1 4.26Å; W42-Y55 HydrophobicContact CB-CD2 3.95Å; W42-Y55 HydrophobicContact CB-CE1 3.83Å; W42-Y55 HydrophobicContact CB-CE2 3.48Å; W42-Y55 VanDerWaalsContact CB-CE2 3.48Å; W42-Y55 HydrophobicContact CB-CG 4.33Å; W42-Y55 VanDerWaalsContact CB-CZ 3.42Å; W42-Y55 AromaticContact CD1-CE2 3.51Å; W42-Y55 HydrophobicContact CG-CD2 4.24Å; W42-Y55 AromaticContact CG-CE2 3.55Å; W42-Y55 HydrophobicContact CG-CE2 3.55Å; W42-Y55 AromaticContact CG-CZ 3.8Å; W42-Y55 PolarHBondContact N-O 2.81Å; W42-Y55 PolarHBondContact O-N 3.38Å; W42-I461 HydrophobicContact CH2-CD1 4.39Å; W42-I461 HydrophobicContact CH2-CG1 4.16Å; W42-I461 HydrophobicContact CZ2-CD1 3.56Å; W42-I461 HydrophobicContact CZ2-CG1 3.82Å; W42-D488 HydrophobicContact CH2-CB 3.88Å; W42-D488 HydrophobicContact CZ2-CB 4.44Å; W42-D488 HydrophobicContact CZ3-CB 3.98Å |
| 43 | T | 86.1 | Confident | 84.5 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.2 | 169 | -63 | 0 | 0 | 0 | 0 | 108.9 | V18 V53 S54 | V18-T43 PolarHBondContact N-O 3.23Å; V18-T43 PolarHBondContact O-N 2.9Å; T43-V53 CarbonylContact C-O 3.6Å; T43-V53 WeakPolarHBondContact CA-O 3.46Å; T43-S54 PolarHBondContact OG1-OG 3.24Å |
| 44 | Q | 86.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118 | 178 | -174 | 179.7 | 9 | 0 | 0 | 110 | P17 N46 S52 V53 Y55 | P17-Q44 HydrophobicContact CB-CB 4.26Å; P17-Q44 HydrophobicContact CG-CB 4.18Å; P17-Q44 HydrophobicContact CG-CG 4.13Å; Q44-N46 PolarHBondContact O-N 3.05Å; Q44-N46 VanDerWaalsContact O-N 3.15Å; Q44-S52 WeakPolarHBondContact O-CA 3.41Å; Q44-V53 PolarHBondContact N-O 3.41Å; Q44-V53 PolarHBondContact O-N 2.96Å; Q44-Y55 HydrophobicContact CB-CE1 4.39Å |
| 45 | T | 84.1 | Confident | 85.4 | Confident | 34 Ų | 34 | 33.3 Ų | 33.3 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 107.6 | 169.8 | -60 | 0 | 0 | 0 | 0 | 109.5 | T47 P782 | T45-T47 HydrophobicContact CG2-CG2 3.88Å; T45-T47 PolarHBondContact O-N 3.38Å; T45-P782 HydrophobicContact CG2-CB 3.66Å; T45-P782 HydrophobicContact CG2-CG 3.93Å |
| 46 | N | 81.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 33 Ų | 33 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 89.1 | 170.8 | -170.6 | -32.7 | 0 | 0 | 0 | 109.8 | Q44 F48 R49 K50 D51 V53 | Q44-N46 PolarHBondContact O-N 3.05Å; Q44-N46 VanDerWaalsContact O-N 3.15Å; N46-F48 PolarHBondContact O-N 2.69Å; N46-F48 WeakPolarHBondContact OD1-CB 3.44Å; N46-F48 PolarHBondContact OD1-N 3.18Å; N46-R49 HydrophobicContact CB-CB 4.25Å; N46-R49 CarbonylContact O-C 3.54Å; N46-R49 PolarHBondContact O-N 3.33Å; N46-R49 PolarHBondContact OD1-N 3.41Å; N46-K50 WeakPolarHBondContact O-CA 3.33Å; N46-K50 PolarHBondContact O-N 2.94Å; N46-D51 CarbonylContact C-O 3.51Å; N46-D51 VanDerWaalsContact CA-O 3.29Å; N46-D51 WeakPolarHBondContact CA-O 3.38Å; N46-D51 WeakPolarHBondContact CB-O 3.41Å; N46-D51 PolarHBondContact N-O 3.37Å; N46-D51 PolarHBondContact O-N 2.74Å; N46-D51 VanDerWaalsContact O-O 3.11Å; N46-V53 HydrophobicContact CB-CG2 4.49Å |
| 47 | T | 77.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.8 | -179.4 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | F11 G12 T45 K50 L786 | F11-T47 HydrophobicContact CD1-CG2 4.25Å; F11-T47 HydrophobicContact CE1-CG2 4.4Å; G12-T47 WeakPolarHBondContact CA-OG1 3.28Å; T45-T47 HydrophobicContact CG2-CG2 3.88Å; T45-T47 PolarHBondContact O-N 3.38Å; T47-K50 WeakPolarHBondContact O-CG 3.39Å; T47-K50 PolarHBondContact O-N 2.98Å; T47-L786 HydrophobicContact CG2-CB 4.13Å; T47-L786 HydrophobicContact CG2-CD1 4.34Å |
| 48 | F | 79 | Confident | 85 | Confident | 102 Ų | 102 | 34.1 Ų | 34.1 | 45% | 0.447 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -41.6 | 175.7 | -57 | -78.6 | 0 | 0 | 0 | 112.3 | T9 N46 | T9-F48 HydrophobicContact CG2-CZ 4.15Å; N46-F48 PolarHBondContact O-N 2.69Å; N46-F48 WeakPolarHBondContact OD1-CB 3.44Å; N46-F48 PolarHBondContact OD1-N 3.18Å |
| 49 | R | 78.2 | Confident | 85 | Confident | 87 Ų | 87 | 34.3 Ų | 34.3 | 33% | 0.328 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.2 | 171.8 | -67.9 | -176.5 | 64.7 | -162.7 | -9.9 | 112.4 | N46 D51 F85 G86 | N46-R49 HydrophobicContact CB-CB 4.25Å; N46-R49 CarbonylContact O-C 3.54Å; N46-R49 PolarHBondContact O-N 3.33Å; N46-R49 PolarHBondContact OD1-N 3.41Å; R49-D51 VanDerWaalsContact C-N 3.27Å; R49-D51 HydrophobicContact CB-CB 4.23Å; R49-D51 PolarHBondContact O-N 3.44Å; R49-F85 PolarHBondContact NH1-O 2.92Å; R49-F85 PolarHBondContact NH2-O 2.94Å; R49-G86 PolarHBondContact NH2-O 3.47Å |
| 50 | K | 80.8 | Confident | 85 | Confident | 99 Ų | 99 | 34.4 Ų | 34.4 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 48.4 | -173.9 | -62 | 179.8 | 178.4 | -175.3 | 0 | 110.8 | N46 T47 F89 A783 | N46-K50 WeakPolarHBondContact O-CA 3.33Å; N46-K50 PolarHBondContact O-N 2.94Å; T47-K50 WeakPolarHBondContact O-CG 3.39Å; T47-K50 PolarHBondContact O-N 2.98Å; K50-F89 HydrophobicContact CB-CB 3.78Å; K50-F89 WeakPolarHBondContact O-CB 3.28Å; K50-F89 PolarHBondContact O-N 2.89Å; K50-A783 HydrophobicContact CB-CB 4.05Å; K50-A783 HydrophobicContact CD-CB 3.99Å; K50-A783 HydrophobicContact CG-CB 4.12Å |
| 51 | D | 81.2 | Confident | 85 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 172.6 | -170 | -160.3 | 6.1 | 0 | 0 | 0 | 112.2 | N46 R49 G86 Q87 C88 P782 | N46-D51 CarbonylContact C-O 3.51Å; N46-D51 VanDerWaalsContact CA-O 3.29Å; N46-D51 WeakPolarHBondContact CA-O 3.38Å; N46-D51 WeakPolarHBondContact CB-O 3.41Å; N46-D51 PolarHBondContact N-O 3.37Å; N46-D51 PolarHBondContact O-N 2.74Å; N46-D51 VanDerWaalsContact O-O 3.11Å; R49-D51 VanDerWaalsContact C-N 3.27Å; R49-D51 HydrophobicContact CB-CB 4.23Å; R49-D51 PolarHBondContact O-N 3.44Å; D51-G86 WeakPolarHBondContact OD2-CA 3.46Å; D51-Q87 PolarHBondContact OD2-N 3.48Å; D51-C88 PolarHBondContact OD2-N 3.03Å; D51-P782 VanDerWaalsContact N-CB 3.33Å |
| 52 | S | 81.3 | Confident | 85.2 | Confident | 37 Ų | 37 | 33 Ų | 33 | 26% | 0.259 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 139.5 | 176 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | Q44 G86 | Q44-S52 WeakPolarHBondContact O-CA 3.41Å; S52-G86 WeakPolarHBondContact O-CA 3.4Å |
| 53 | V | 82.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 33.3 Ų | 33.3 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134 | 174.3 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | T43 Q44 N46 F82 S84 | T43-V53 CarbonylContact C-O 3.6Å; T43-V53 WeakPolarHBondContact CA-O 3.46Å; Q44-V53 PolarHBondContact N-O 3.41Å; Q44-V53 PolarHBondContact O-N 2.96Å; N46-V53 HydrophobicContact CB-CG2 4.49Å; V53-F82 HydrophobicContact CG1-CD1 3.6Å; V53-F82 HydrophobicContact CG1-CE1 3.74Å; V53-S84 WeakPolarHBondContact CG1-O 3.26Å |
| 54 | S | 84.5 | Confident | 85 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 22% | 0.217 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.4 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | W42 T43 S83 S84 | W42-S54 VanDerWaalsContact O-CA 3.24Å; W42-S54 WeakPolarHBondContact O-CA 3.43Å; T43-S54 PolarHBondContact OG1-OG 3.24Å; S54-S83 WeakPolarHBondContact CB-OG 3.28Å; S54-S83 PolarHBondContact O-N 2.99Å; S54-S83 PolarHBondContact O-OG 2.86Å; S54-S84 PolarHBondContact N-O 3.37Å; S54-S84 PolarHBondContact O-N 3.34Å; S54-S84 VanDerWaalsContact O-N 3.14Å |
| 55 | Y | 86.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 158.5 | 179.9 | 63.6 | -95.4 | 0 | 0 | 0 | 110.7 | P17 W42 Q44 L80 H81 F82 D488 | P17-Y55 HydrophobicContact CB-CE1 4.26Å; P17-Y55 WeakPolarHBondContact CB-OH 3.44Å; P17-Y55 HydrophobicContact CG-CE1 4.28Å; P17-Y55 WeakPolarHBondContact CG-OH 3.43Å; W42-Y55 HydrophobicContact CB-CD1 4.26Å; W42-Y55 HydrophobicContact CB-CD2 3.95Å; W42-Y55 HydrophobicContact CB-CE1 3.83Å; W42-Y55 HydrophobicContact CB-CE2 3.48Å; W42-Y55 VanDerWaalsContact CB-CE2 3.48Å; W42-Y55 HydrophobicContact CB-CG 4.33Å; W42-Y55 VanDerWaalsContact CB-CZ 3.42Å; W42-Y55 AromaticContact CD1-CE2 3.51Å; W42-Y55 HydrophobicContact CG-CD2 4.24Å; W42-Y55 AromaticContact CG-CE2 3.55Å; W42-Y55 HydrophobicContact CG-CE2 3.55Å; W42-Y55 AromaticContact CG-CZ 3.8Å; W42-Y55 PolarHBondContact N-O 2.81Å; W42-Y55 PolarHBondContact O-N 3.38Å; Q44-Y55 HydrophobicContact CB-CE1 4.39Å; Y55-L80 HydrophobicContact CD2-CD2 3.7Å; Y55-L80 HydrophobicContact CE2-CD2 3.71Å; Y55-H81 CarbonylContact C-O 3.51Å; Y55-H81 WeakPolarHBondContact CA-O 3.4Å; Y55-F82 HydrophobicContact CD1-CE1 4.22Å; Y55-F82 HydrophobicContact CG-CE1 4.4Å; Y55-D488 PolarHBondContact OH-O 3.05Å |
| 56 | S | 87.6 | Confident | 83.8 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 157.9 | 176 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | S40 H81 | S40-S56 CarbonylContact O-C 3.51Å; S40-S56 WeakPolarHBondContact O-CA 3.48Å; S40-S56 WeakPolarHBondContact O-CB 3.4Å; S56-H81 PolarHBondContact N-O 3.42Å; S56-H81 PolarHBondContact O-N 3.46Å |
| 57 | R | 87.8 | Confident | 83.6 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 132.8 | 175.9 | -162.2 | 172.2 | -157.4 | -173.4 | 2.6 | 110.6 | S40 Y59 T77 S78 L80 G489 | S40-R57 PolarHBondContact N-O 2.83Å; S40-R57 PolarHBondContact O-N 3.49Å; S40-R57 PolarHBondContact OG-O 3.08Å; R57-Y59 HydrophobicContact CB-CE2 4.32Å; R57-Y59 WeakPolarHBondContact CD-OH 3.32Å; R57-Y59 HydrophobicContact CG-CE2 4.3Å; R57-T77 HydrophobicContact CG-CG2 4.35Å; R57-T77 VanDerWaalsContact NH2-CG2 3.31Å; R57-S78 PolarHBondContact NE-O 2.96Å; R57-S78 PolarHBondContact NH2-O 3.06Å; R57-L80 HydrophobicContact CB-CD2 4.23Å; R57-L80 HydrophobicContact CG-CD2 4.28Å; R57-G489 PolarHBondContact NH1-O 3.2Å |
| 58 | T | 90 | Very high | 83.5 | Confident | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.239 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.6 | 175.3 | -55 | 0 | 0 | 0 | 0 | 111.1 | S37 I38 I39 S78 | S37-T58 WeakPolarHBondContact OG-CG2 3.34Å; I38-T58 CarbonylContact O-C 3.58Å; I38-T58 VanDerWaalsContact O-CA 3.31Å; I38-T58 WeakPolarHBondContact O-CA 3.46Å; I39-T58 HydrophobicContact CG1-CG2 4.19Å; T58-S78 WeakPolarHBondContact CA-OG 3.44Å; T58-S78 PolarHBondContact N-OG 3.41Å; T58-S78 PolarHBondContact O-N 3.34Å; T58-S78 PolarHBondContact O-OG 3.24Å |
| 59 | Y | 91.3 | Very high | 83.5 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134 | 172.7 | -52.9 | -91.8 | 0 | 0 | 0 | 109 | S37 I38 S40 R57 Y76 T77 I461 L486 S487 | S37-Y59 CarbonylContact C-O 3.53Å; S37-Y59 WeakPolarHBondContact CA-O 3.46Å; I38-Y59 HydrophobicContact CB-CD2 4.5Å; I38-Y59 PolarHBondContact N-O 2.89Å; I38-Y59 PolarHBondContact O-N 3.35Å; S40-Y59 WeakPolarHBondContact OG-CE2 3.42Å; R57-Y59 HydrophobicContact CB-CE2 4.32Å; R57-Y59 WeakPolarHBondContact CD-OH 3.32Å; R57-Y59 HydrophobicContact CG-CE2 4.3Å; Y59-Y76 CarbonylContact C-O 3.57Å; Y59-Y76 WeakPolarHBondContact CA-O 3.42Å; Y59-T77 HydrophobicContact CD1-CG2 3.65Å; Y59-T77 WeakPolarHBondContact CD1-OG1 3.31Å; Y59-T77 HydrophobicContact CE1-CG2 3.52Å; Y59-I461 HydrophobicContact CE2-CD1 3.85Å; Y59-L486 HydrophobicContact CD1-CD1 4Å; Y59-L486 HydrophobicContact CD1-CD2 4.37Å; Y59-L486 HydrophobicContact CD2-CD1 3.93Å; Y59-L486 HydrophobicContact CE1-CB 4.18Å; Y59-L486 HydrophobicContact CE1-CD1 4.36Å; Y59-L486 HydrophobicContact CE2-CD1 4.29Å; Y59-L486 HydrophobicContact CG-CD1 3.78Å; Y59-S487 PolarHBondContact OH-O 3.47Å |
| 60 | L | 91.2 | Very high | 83.6 | Confident | 42 Ų | 42 | 44.5 Ų | 44.5 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.6 | 167.1 | -60.7 | 178.6 | 0 | 0 | 0 | 108.4 | Y36 V74 D75 Y76 | Y36-L60 CarbonylContact O-C 3.5Å; Y36-L60 WeakPolarHBondContact O-CA 3.36Å; L60-V74 CarbonylContact O-C 3.51Å; L60-V74 WeakPolarHBondContact O-CA 3.39Å; L60-D75 PolarHBondContact O-N 2.99Å; L60-Y76 HydrophobicContact CD1-CD1 4.04Å; L60-Y76 HydrophobicContact CD1-CG 4.37Å; L60-Y76 HydrophobicContact CG-CD1 4.14Å; L60-Y76 PolarHBondContact N-O 3.35Å; L60-Y76 PolarHBondContact O-N 2.94Å |
| 61 | V | 91.7 | Very high | 83.7 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.6 | -175.2 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | Y36 I38 L72 L73 V74 L484 | Y36-V61 PolarHBondContact N-O 3.09Å; Y36-V61 PolarHBondContact O-N 2.61Å; I38-V61 HydrophobicContact CD1-CG2 3.94Å; V61-L72 HydrophobicContact CG1-CB 3.86Å; V61-L72 HydrophobicContact CG1-CD2 3.89Å; V61-L72 HydrophobicContact CG1-CG 4.41Å; V61-L73 CarbonylContact C-O 3.54Å; V61-L73 WeakPolarHBondContact CA-O 3.24Å; V61-L73 WeakPolarHBondContact CG1-O 3.19Å; V61-V74 HydrophobicContact CG2-CG2 4.46Å; V61-L484 HydrophobicContact CG1-CD2 3.69Å; V61-L484 HydrophobicContact CG2-CD2 4Å |
| 62 | T | 91 | Very high | 84 | Confident | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.3 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | E35 L73 D75 | E35-T62 HydrophobicContact CG-CG2 4.48Å; E35-T62 WeakPolarHBondContact CG-OG1 3.45Å; T62-L73 PolarHBondContact N-O 2.9Å; T62-L73 PolarHBondContact O-N 3.36Å; T62-L73 VanDerWaalsContact O-N 3.14Å; T62-D75 WeakPolarHBondContact CB-OD2 3.1Å; T62-D75 PolarHBondContact N-OD2 3.13Å; T62-D75 PolarHBondContact OG1-OD2 3.4Å |
| 63 | L | 87.4 | Confident | 84.3 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 141.8 | 167.7 | -64.8 | 172.7 | 0 | 0 | 0 | 111.3 | N34 Y36 L72 I447 N465 K467 | N34-L63 HydrophobicContact CB-CB 4.02Å; N34-L63 PolarHBondContact O-N 3.02Å; Y36-L63 HydrophobicContact CD2-CD1 4.21Å; Y36-L63 HydrophobicContact CD2-CG 4.02Å; Y36-L63 HydrophobicContact CE2-CD1 3.3Å; Y36-L63 HydrophobicContact CE2-CG 3.59Å; L63-L72 HydrophobicContact CD2-CD2 3.27Å; L63-L72 HydrophobicContact CG-CD2 4.3Å; L63-I447 HydrophobicContact CD1-CD1 4.13Å; L63-I447 HydrophobicContact CD2-CD1 3.52Å; L63-I447 HydrophobicContact CG-CD1 4.25Å; L63-N465 HydrophobicContact CD2-CB 3.88Å; L63-K467 HydrophobicContact CD1-CD 3.73Å |
| 64 | P | 82.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 145.3 | 170 | 27.2 | -35 | 0 | 0 | 0 | 111.4 | D67 E70 | P64-D67 VanDerWaalsContact CB-O 3.31Å; P64-D67 WeakPolarHBondContact CB-O 3.46Å; P64-D67 WeakPolarHBondContact CG-O 3.48Å; P64-E70 HydrophobicContact CB-CB 3.53Å; P64-E70 HydrophobicContact CB-CG 4.47Å; P64-E70 VanDerWaalsContact CB-OE2 3.26Å; P64-E70 WeakPolarHBondContact CB-OE2 3.41Å; P64-E70 HydrophobicContact CG-CB 3.78Å |
| 65 | Q | 74.5 | Confident | 84.7 | Confident | 120 Ų | 120 | 52.5 Ų | 52.5 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -86.9 | -26.5 | -175.2 | -71.1 | -174.4 | -12.4 | 0 | 0 | 113.7 | ||
| 66 | H | 71.9 | Confident | 84.8 | Confident | 175 Ų | 175 | 58.4 Ų | 58.4 | 81% | 0.81 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -118.9 | -35.5 | -166.8 | -63.9 | -53.6 | 0 | 0 | 0 | 114 | ||
| 67 | D | 77.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -124.9 | 122.1 | 179.9 | -174.1 | 0.3 | 0 | 0 | 0 | 110.2 | P64 H69 E70 | P64-D67 VanDerWaalsContact CB-O 3.31Å; P64-D67 WeakPolarHBondContact CB-O 3.46Å; P64-D67 WeakPolarHBondContact CG-O 3.48Å; D67-H69 PolarHBondContact O-N 3.03Å; D67-H69 WeakPolarHBondContact OD1-CB 3.16Å; D67-H69 IonicContact OD1-CD2 3.72Å; D67-H69 PolarHBondContact OD1-CD2 3Å; D67-H69 IonicContact OD1-CG 2.62Å; D67-H69 PolarHBondContact OD1-N 3.38Å; D67-E70 HydrophobicContact CB-CB 4.39Å; D67-E70 HydrophobicContact CB-CG 3.85Å; D67-E70 WeakPolarHBondContact O-CB 3.08Å; D67-E70 PolarHBondContact O-N 2.85Å | ||
| 68 | I | 75.1 | Confident | 84.8 | Confident | 47 Ų | 47 | 60 Ų | 60 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.5 | 176.9 | 50 | 161 | 0 | 0 | 0 | 112.9 | Y468 R481 | I68-Y468 HydrophobicContact CG2-CD2 3.87Å; I68-R481 VanDerWaalsContact CD1-NH2 3.33Å |
| 69 | H | 78.6 | Confident | 84.7 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.8 | 176 | -58.6 | -71 | 0 | 0 | 0 | 113.2 | D67 D477 Q480 P482 | D67-H69 PolarHBondContact O-N 3.03Å; D67-H69 WeakPolarHBondContact OD1-CB 3.16Å; D67-H69 IonicContact OD1-CD2 3.72Å; D67-H69 PolarHBondContact OD1-CD2 3Å; D67-H69 IonicContact OD1-CG 2.62Å; D67-H69 PolarHBondContact OD1-N 3.38Å; H69-D477 IonicContact CE1-OD1 3.38Å; H69-D477 PolarHBondContact CE1-OD1 3Å; H69-D477 IonicContact NE2-OD1 3.18Å; H69-Q480 WeakPolarHBondContact ND1-CB 3.48Å; H69-Q480 PolarHBondContact ND1-O 2.94Å; H69-Q480 VanDerWaalsContact ND1-O 3.16Å; H69-P482 WeakPolarHBondContact O-CD 3.22Å; H69-P482 WeakPolarHBondContact O-CG 3.22Å |
| 70 | E | 81.2 | Confident | 84.4 | Confident | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -72.2 | 152.4 | 169.9 | -84.5 | 173.3 | -175.5 | 0 | 0 | 111.6 | P64 D67 P482 | P64-E70 HydrophobicContact CB-CB 3.53Å; P64-E70 HydrophobicContact CB-CG 4.47Å; P64-E70 VanDerWaalsContact CB-OE2 3.26Å; P64-E70 WeakPolarHBondContact CB-OE2 3.41Å; P64-E70 HydrophobicContact CG-CB 3.78Å; D67-E70 HydrophobicContact CB-CB 4.39Å; D67-E70 HydrophobicContact CB-CG 3.85Å; D67-E70 WeakPolarHBondContact O-CB 3.08Å; D67-E70 PolarHBondContact O-N 2.85Å; E70-P482 WeakPolarHBondContact O-CG 3.41Å |
| 71 | N | 82.2 | Confident | 84.1 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 57% | 0.572 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 136.9 | 177.8 | -68.6 | -53.4 | 0 | 0 | 0 | 111.1 | P482 | N71-P482 WeakPolarHBondContact OD1-CB 3.35Š|
| 72 | L | 87.4 | Confident | 83.5 | Confident | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -59 | 138.6 | 163.5 | -67.4 | 154.5 | 0 | 0 | 0 | 109.6 | V61 L63 V463 N465 L484 | V61-L72 HydrophobicContact CG1-CB 3.86Å; V61-L72 HydrophobicContact CG1-CD2 3.89Å; V61-L72 HydrophobicContact CG1-CG 4.41Å; L63-L72 HydrophobicContact CD2-CD2 3.27Å; L63-L72 HydrophobicContact CG-CD2 4.3Å; L72-V463 HydrophobicContact CD1-CB 4.17Å; L72-V463 HydrophobicContact CD1-CG1 3.85Å; L72-N465 HydrophobicContact CD2-CB 4.35Å; L72-L484 HydrophobicContact CB-CB 3.84Å; L72-L484 HydrophobicContact CB-CD2 3.64Å; L72-L484 HydrophobicContact CB-CG 4.3Å; L72-L484 HydrophobicContact CD1-CB 3.79Å; L72-L484 HydrophobicContact CD1-CD2 4.31Å; L72-L484 HydrophobicContact CG-CB 4.44Å |
| 73 | L | 87.6 | Confident | 82.6 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 56% | 0.56 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.3 | -179.8 | -61.6 | 177 | 0 | 0 | 0 | 110.3 | V61 T62 | V61-L73 CarbonylContact C-O 3.54Å; V61-L73 WeakPolarHBondContact CA-O 3.24Å; V61-L73 WeakPolarHBondContact CG1-O 3.19Å; T62-L73 PolarHBondContact N-O 2.9Å; T62-L73 PolarHBondContact O-N 3.36Å; T62-L73 VanDerWaalsContact O-N 3.14Å |
| 74 | V | 88.2 | Confident | 81.6 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 104.1 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | L60 V61 T77 L484 L486 | L60-V74 CarbonylContact O-C 3.51Å; L60-V74 WeakPolarHBondContact O-CA 3.39Å; V61-V74 HydrophobicContact CG2-CG2 4.46Å; V74-T77 WeakPolarHBondContact CG1-OG1 3.3Å; V74-L484 HydrophobicContact CG2-CD1 3.72Å; V74-L484 HydrophobicContact CG2-CD2 3.77Å; V74-L484 HydrophobicContact CG2-CG 4.28Å; V74-L486 HydrophobicContact CG2-CD2 3.4Å; V74-L486 VanDerWaalsContact CG2-CD2 3.4Å |
| 75 | D | 88.3 | Confident | 80.9 | Confident | 90 Ų | 90 | 86.2 Ų | 86.2 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -33.1 | -178.3 | -55.2 | -69.3 | 0 | 0 | 0 | 112.1 | L60 T62 | L60-D75 PolarHBondContact O-N 2.99Å; T62-D75 WeakPolarHBondContact CB-OD2 3.1Å; T62-D75 PolarHBondContact N-OD2 3.13Å; T62-D75 PolarHBondContact OG1-OD2 3.4Å |
| 76 | Y | 87.8 | Confident | 80.1 | Confident | 126 Ų | 126 | 81.3 Ų | 81.3 | 49% | 0.494 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 143.2 | -176.1 | 176 | -106.1 | 0 | 0 | 0 | 111.5 | Y59 L60 | Y59-Y76 CarbonylContact C-O 3.57Å; Y59-Y76 WeakPolarHBondContact CA-O 3.42Å; L60-Y76 HydrophobicContact CD1-CD1 4.04Å; L60-Y76 HydrophobicContact CD1-CG 4.37Å; L60-Y76 HydrophobicContact CG-CD1 4.14Å; L60-Y76 PolarHBondContact N-O 3.35Å; L60-Y76 PolarHBondContact O-N 2.94Å |
| 77 | T | 88.5 | Confident | 79.6 | Confident | 43 Ų | 43 | 77.2 Ų | 77.2 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 121.7 | 169.6 | -60.5 | 0 | 0 | 0 | 0 | 108.6 | R57 Y59 V74 | R57-T77 HydrophobicContact CG-CG2 4.35Å; R57-T77 VanDerWaalsContact NH2-CG2 3.31Å; Y59-T77 HydrophobicContact CD1-CG2 3.65Å; Y59-T77 WeakPolarHBondContact CD1-OG1 3.31Å; Y59-T77 HydrophobicContact CE1-CG2 3.52Å; V74-T77 WeakPolarHBondContact CG1-OG1 3.3Å |
| 78 | S | 88 | Confident | 78.5 | Confident | 18 Ų | 18 | 76 Ų | 76 | 13% | 0.126 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 163.7 | 177.9 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | R57 T58 | R57-S78 PolarHBondContact NE-O 2.96Å; R57-S78 PolarHBondContact NH2-O 3.06Å; T58-S78 WeakPolarHBondContact CA-OG 3.44Å; T58-S78 PolarHBondContact N-OG 3.41Å; T58-S78 PolarHBondContact O-N 3.34Å; T58-S78 PolarHBondContact O-OG 3.24Å |
| 79 | Q | 86 | Confident | 77.4 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 160.7 | 164 | -65.7 | -173.9 | -11.1 | 0 | 0 | 110.7 | H81 | Q79-H81 PolarHBondContact O-N 2.8Š|
| 80 | L | 85.6 | Confident | 76 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 128.8 | 175.4 | -61.2 | 179.9 | 0 | 0 | 0 | 110.7 | Y55 R57 F82 | Y55-L80 HydrophobicContact CD2-CD2 3.7Å; Y55-L80 HydrophobicContact CE2-CD2 3.71Å; R57-L80 HydrophobicContact CB-CD2 4.23Å; R57-L80 HydrophobicContact CG-CD2 4.28Å; L80-F82 HydrophobicContact CB-CE2 4.16Å; L80-F82 HydrophobicContact CB-CZ 4.49Å; L80-F82 HydrophobicContact CD1-CZ 4.42Å |
| 81 | H | 84.5 | Confident | 74.4 | Confident | 130 Ų | 130 | 79.9 Ų | 79.9 | 60% | 0.602 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 106 | 173.9 | -173.3 | 69.8 | 0 | 0 | 0 | 110 | Y55 S56 Q79 S83 | Y55-H81 CarbonylContact C-O 3.51Å; Y55-H81 WeakPolarHBondContact CA-O 3.4Å; S56-H81 PolarHBondContact N-O 3.42Å; S56-H81 PolarHBondContact O-N 3.46Å; Q79-H81 PolarHBondContact O-N 2.8Å; H81-S83 PolarHBondContact O-N 3.37Å |
| 82 | F | 80.2 | Confident | 72.6 | Confident | 83 Ų | 83 | 78.9 Ų | 78.9 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 118.2 | 179.4 | -68.1 | -87 | 0 | 0 | 0 | 110.6 | V53 Y55 L80 F85 | V53-F82 HydrophobicContact CG1-CD1 3.6Å; V53-F82 HydrophobicContact CG1-CE1 3.74Å; Y55-F82 HydrophobicContact CD1-CE1 4.22Å; Y55-F82 HydrophobicContact CG-CE1 4.4Å; L80-F82 HydrophobicContact CB-CE2 4.16Å; L80-F82 HydrophobicContact CB-CZ 4.49Å; L80-F82 HydrophobicContact CD1-CZ 4.42Å; F82-F85 HydrophobicContact CB-CD1 4.39Å; F82-F85 HydrophobicContact CB-CD2 4.4Å; F82-F85 HydrophobicContact CB-CE1 3.78Å; F82-F85 HydrophobicContact CB-CE2 3.78Å; F82-F85 HydrophobicContact CB-CZ 3.44Å; F82-F85 VanDerWaalsContact CB-CZ 3.44Å; F82-F85 HydrophobicContact CD1-CD1 4.25Å; F82-F85 AromaticContact CD1-CE1 3.85Å; F82-F85 HydrophobicContact CD1-CE1 3.85Å; F82-F85 HydrophobicContact CD1-CZ 4.38Å; F82-F85 AromaticContact CD2-CE1 3.94Å; F82-F85 HydrophobicContact CD2-CE1 3.94Å; F82-F85 AromaticContact CD2-CZ 3.92Å; F82-F85 HydrophobicContact CD2-CZ 3.92Å; F82-F85 HydrophobicContact CE1-CE1 4.45Å; F82-F85 HydrophobicContact CG-CD1 4.32Å; F82-F85 AromaticContact CG-CE1 3.56Å; F82-F85 HydrophobicContact CG-CE1 3.56Å; F82-F85 HydrophobicContact CG-CE2 4.46Å; F82-F85 AromaticContact CG-CZ 3.65Å; F82-F85 HydrophobicContact CG-CZ 3.65Å |
| 83 | S | 70.9 | Confident | 70.6 | Confident | 81 Ų | 81 | 80.5 Ų | 80.5 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | -31.1 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | S54 H81 | S54-S83 WeakPolarHBondContact CB-OG 3.28Å; S54-S83 PolarHBondContact O-N 2.99Å; S54-S83 PolarHBondContact O-OG 2.86Å; H81-S83 PolarHBondContact O-N 3.37Å |
| 84 | S | 68.1 | Low | 68.5 | Low | 52 Ų | 52 | 82.6 Ų | 82.6 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 128.2 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | V53 S54 G86 | V53-S84 WeakPolarHBondContact CG1-O 3.26Å; S54-S84 PolarHBondContact N-O 3.37Å; S54-S84 PolarHBondContact O-N 3.34Å; S54-S84 VanDerWaalsContact O-N 3.14Å; S84-G86 VanDerWaalsContact C-N 3.29Å; S84-G86 PolarHBondContact OG-N 3.49Å |
| 85 | F | 66.3 | Low | 66.8 | Low | 123 Ų | 123 | 85 Ų | 85 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | trans | -86.7 | 1.6 | 171.4 | -72.9 | -78 | 0 | 0 | 0 | 113.2 | R49 F82 | R49-F85 PolarHBondContact NH1-O 2.92Å; R49-F85 PolarHBondContact NH2-O 2.94Å; F82-F85 HydrophobicContact CB-CD1 4.39Å; F82-F85 HydrophobicContact CB-CD2 4.4Å; F82-F85 HydrophobicContact CB-CE1 3.78Å; F82-F85 HydrophobicContact CB-CE2 3.78Å; F82-F85 HydrophobicContact CB-CZ 3.44Å; F82-F85 VanDerWaalsContact CB-CZ 3.44Å; F82-F85 HydrophobicContact CD1-CD1 4.25Å; F82-F85 AromaticContact CD1-CE1 3.85Å; F82-F85 HydrophobicContact CD1-CE1 3.85Å; F82-F85 HydrophobicContact CD1-CZ 4.38Å; F82-F85 AromaticContact CD2-CE1 3.94Å; F82-F85 HydrophobicContact CD2-CE1 3.94Å; F82-F85 AromaticContact CD2-CZ 3.92Å; F82-F85 HydrophobicContact CD2-CZ 3.92Å; F82-F85 HydrophobicContact CE1-CE1 4.45Å; F82-F85 HydrophobicContact CG-CD1 4.32Å; F82-F85 AromaticContact CG-CE1 3.56Å; F82-F85 HydrophobicContact CG-CE1 3.56Å; F82-F85 HydrophobicContact CG-CE2 4.46Å; F82-F85 AromaticContact CG-CZ 3.65Å; F82-F85 HydrophobicContact CG-CZ 3.65Å | ||
| 86 | G | 59.1 | Low | 65.6 | Low | 18 Ų | 18 | 84.7 Ų | 84.7 | 19% | 0.186 | 45% | 0.445 | C | S | . | . | trans | 71.8 | 163.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R49 D51 S52 S84 | R49-G86 PolarHBondContact NH2-O 3.47Å; D51-G86 WeakPolarHBondContact OD2-CA 3.46Å; S52-G86 WeakPolarHBondContact O-CA 3.4Å; S84-G86 VanDerWaalsContact C-N 3.29Å; S84-G86 PolarHBondContact OG-N 3.49Å | ||
| 87 | Q | 59.6 | Low | 64.7 | Low | 88 Ų | 88 | 81.5 Ų | 81.5 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | trans | -109.6 | -2.3 | -176.4 | -66.8 | 165.5 | -9.3 | 0 | 0 | 115.8 | D51 F91 S93 | D51-Q87 PolarHBondContact OD2-N 3.48Å; Q87-F91 WeakPolarHBondContact CB-O 3.49Å; Q87-S93 VanDerWaalsContact OE1-CB 3.25Å | ||
| 88 | C | 54.8 | Low | 64.1 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | trans | 60.9 | 133 | -172.2 | -63.7 | 0 | 0 | 0 | 0 | 114.4 | D51 F91 | D51-C88 PolarHBondContact OD2-N 3.03Å; C88-F91 WeakPolarHBondContact O-CA 3.3Å; C88-F91 WeakPolarHBondContact O-CB 3.45Å; C88-F91 PolarHBondContact O-N 3.31Å | ||
| 89 | F | 53.3 | Low | 63.7 | Low | 81 Ų | 81 | 89.6 Ų | 89.6 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 146.9 | 175.5 | -179.2 | -88.1 | 0 | 0 | 0 | 113.1 | K50 Y774 A783 | K50-F89 HydrophobicContact CB-CB 3.78Å; K50-F89 WeakPolarHBondContact O-CB 3.28Å; K50-F89 PolarHBondContact O-N 2.89Å; F89-Y774 HydrophobicContact CE2-CD2 4.24Å; F89-Y774 AromaticContact CZ-CD2 3.84Å; F89-Y774 HydrophobicContact CZ-CD2 3.84Å; F89-Y774 HydrophobicContact CZ-CE2 4.31Å; F89-A783 HydrophobicContact CD1-CB 4.12Å; F89-A783 HydrophobicContact CE1-CB 4.4Å; F89-A783 HydrophobicContact CG-CB 4.31Å |
| 90 | P | 48 | Very low | 63.5 | Low | 78 Ų | 78 | 82.6 Ų | 82.6 | 51% | 0.506 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.8 | 66.6 | -7.1 | 35.9 | -31.5 | 0 | 0 | 0 | 110.9 | ||
| 91 | F | 47.3 | Very low | 63.6 | Low | 128 Ų | 128 | 80.4 Ų | 80.4 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | trans | -120.9 | 107.7 | -178.5 | -61.7 | -76.3 | 0 | 0 | 0 | 110.9 | Q87 C88 | Q87-F91 WeakPolarHBondContact CB-O 3.49Å; C88-F91 WeakPolarHBondContact O-CA 3.3Å; C88-F91 WeakPolarHBondContact O-CB 3.45Å; C88-F91 PolarHBondContact O-N 3.31Å | ||
| 92 | A | 44.4 | Very low | 63.7 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | trans | -57.4 | 134.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | Q94 | A92-Q94 PolarHBondContact O-N 2.92Š| ||
| 93 | S | 45.1 | Very low | 64.1 | Low | 45 Ų | 45 | 73.3 Ų | 73.3 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | trans | -2.9 | 80.7 | 157.2 | 72.6 | 0 | 0 | 0 | 0 | 115.3 | Q87 N95 | Q87-S93 VanDerWaalsContact OE1-CB 3.25Å; S93-N95 CarbonylContact C-O 3.59Å; S93-N95 WeakPolarHBondContact CB-O 3.46Å; S93-N95 CarbonylContact O-C 3.44Å; S93-N95 PolarHBondContact O-N 3.35Å | ||
| 94 | Q | 44.2 | Very low | 64.8 | Low | 152 Ų | 152 | 73 Ų | 73 | 71% | 0.71 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -60.3 | -22.4 | 159.6 | -70.5 | -170.2 | -6.2 | 0 | 0 | 110.3 | A92 H96 | A92-Q94 PolarHBondContact O-N 2.92Å; Q94-H96 VanDerWaalsContact C-N 3.35Å; Q94-H96 PolarHBondContact O-CD2 3.01Å; Q94-H96 PolarHBondContact O-N 3.24Å; Q94-H96 PolarHBondContact O-NE2 3.1Å |
| 95 | N | 52.1 | Low | 65.6 | Low | 110 Ų | 110 | 70.7 Ų | 70.7 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -73.2 | 99.5 | 160.3 | -66.4 | -3.9 | 0 | 0 | 0 | 106.8 | S93 V97 | S93-N95 CarbonylContact C-O 3.59Å; S93-N95 WeakPolarHBondContact CB-O 3.46Å; S93-N95 CarbonylContact O-C 3.44Å; S93-N95 PolarHBondContact O-N 3.35Å; N95-V97 PolarHBondContact O-N 3.38Å |
| 96 | H | 64.3 | Low | 65.9 | Low | 82 Ų | 82 | 67.7 Ų | 67.7 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -55.4 | 20.5 | 170.5 | -64.9 | -77 | 0 | 0 | 0 | 114.8 | Q94 C117 N118 | Q94-H96 VanDerWaalsContact C-N 3.35Å; Q94-H96 PolarHBondContact O-CD2 3.01Å; Q94-H96 PolarHBondContact O-N 3.24Å; Q94-H96 PolarHBondContact O-NE2 3.1Å; H96-C117 CarbonylContact O-C 3.56Å; H96-C117 WeakPolarHBondContact O-CA 3.09Å; H96-N118 VanDerWaalsContact CB-O 3.27Å; H96-N118 WeakPolarHBondContact CB-O 3.45Å; H96-N118 PolarHBondContact ND1-O 3.32Å; H96-N118 PolarHBondContact O-N 3.42Å |
| 97 | V | 68.8 | Low | 66.7 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.5 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | N95 I115 E116 | N95-V97 PolarHBondContact O-N 3.38Å; V97-I115 HydrophobicContact CG1-CB 4.04Å; V97-I115 HydrophobicContact CG1-CD1 4.16Å; V97-I115 HydrophobicContact CG1-CG2 4.4Å; V97-E116 CarbonylContact C-O 3.6Å; V97-E116 VanDerWaalsContact CA-O 3.23Å; V97-E116 WeakPolarHBondContact CA-O 3.29Å |
| 98 | R | 75.7 | Confident | 67.4 | Low | 151 Ų | 151 | 68.1 Ų | 68.1 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.6 | 176.8 | 176.7 | -175 | 179.1 | -173.7 | 2.5 | 109.6 | I100 I115 E116 | R98-I100 PolarHBondContact O-N 3.36Å; R98-I115 CarbonylContact O-C 3.43Å; R98-I115 VanDerWaalsContact O-CA 3.3Å; R98-I115 WeakPolarHBondContact O-CA 3.46Å; R98-E116 HydrophobicContact CB-CB 4.43Å; R98-E116 PolarHBondContact N-O 2.89Å; R98-E116 PolarHBondContact O-N 2.95Å |
| 99 | T | 79.1 | Confident | 68.9 | Low | 81 Ų | 81 | 67.5 Ų | 67.5 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 123.8 | 168.1 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | D102 V113 | T99-D102 HydrophobicContact CG2-CB 4.5Å; T99-V113 HydrophobicContact CG2-CG1 3.8Å |
| 100 | I | 83 | Confident | 70.7 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 8% | 0.077 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -49.7 | 175.6 | -53.7 | -177.1 | 0 | 0 | 0 | 109.3 | R98 C114 E116 I138 V165 P167 S168 | R98-I100 PolarHBondContact O-N 3.36Å; I100-C114 HydrophobicContact CB-CB 4.28Å; I100-C114 PolarHBondContact N-O 3.14Å; I100-E116 HydrophobicContact CD1-CB 4.03Å; I100-E116 HydrophobicContact CG1-CB 4.16Å; I100-I138 HydrophobicContact CD1-CD1 3.93Å; I100-I138 HydrophobicContact CD1-CG1 4.25Å; I100-I138 HydrophobicContact CD1-CG2 3.8Å; I100-V165 HydrophobicContact CD1-CB 3.96Å; I100-V165 HydrophobicContact CD1-CG1 4.47Å; I100-V165 HydrophobicContact CG2-CB 4.34Å; I100-V165 HydrophobicContact CG2-CG1 4.05Å; I100-P167 HydrophobicContact CG2-CB 4.23Å; I100-P167 WeakPolarHBondContact O-CA 3.13Å; I100-P167 WeakPolarHBondContact O-CB 3.45Å; I100-S168 PolarHBondContact O-N 2.82Å |
| 101 | W | 87.2 | Confident | 72.7 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 1% | 0.011 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 157.7 | 174 | 45.1 | -105.3 | 0 | 0 | 0 | 111.8 | I103 A112 C114 I140 V165 S168 A176 I185 Y187 | W101-I103 HydrophobicContact CE3-CD1 4.33Å; W101-I103 HydrophobicContact CE3-CG1 3.92Å; W101-I103 HydrophobicContact CE3-CG2 4.16Å; W101-I103 HydrophobicContact CZ3-CD1 3.93Å; W101-I103 HydrophobicContact CZ3-CG1 3.75Å; W101-A112 HydrophobicContact CZ3-CB 3.92Å; W101-C114 HydrophobicContact CD2-CB 3.22Å; W101-C114 HydrophobicContact CE3-CB 3.55Å; W101-C114 HydrophobicContact CG-CB 3.79Å; W101-C114 HydrophobicContact CH2-CB 3.73Å; W101-C114 HydrophobicContact CZ2-CB 3.43Å; W101-C114 VanDerWaalsContact CZ2-CB 3.43Å; W101-C114 HydrophobicContact CZ3-CB 3.78Å; W101-C114 PolarHBondContact N-O 3.44Å; W101-C114 PolarHBondContact O-N 3.37Å; W101-I140 HydrophobicContact CH2-CD1 3.57Å; W101-I140 HydrophobicContact CH2-CG1 3.78Å; W101-I140 HydrophobicContact CH2-CG2 4.14Å; W101-I140 HydrophobicContact CZ2-CD1 3.71Å; W101-I140 HydrophobicContact CZ2-CG1 4.05Å; W101-V165 VanDerWaalsContact NE1-CG1 3.3Å; W101-S168 WeakPolarHBondContact CA-OG 3.34Å; W101-S168 VanDerWaalsContact CB-CB 3.42Å; W101-S168 WeakPolarHBondContact CB-OG 3.36Å; W101-A176 HydrophobicContact CD2-CB 3.73Å; W101-A176 HydrophobicContact CE3-CB 4.1Å; W101-A176 HydrophobicContact CG-CB 4.06Å; W101-A176 HydrophobicContact CZ2-CB 4.17Å; W101-A176 HydrophobicContact CZ3-CB 4.48Å; W101-I185 HydrophobicContact CH2-CG2 3.97Å; W101-Y187 HydrophobicContact CZ2-CG 4.4Å |
| 102 | D | 86 | Confident | 74.9 | Confident | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.251 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 105.9 | 177.8 | -178.2 | -2.1 | 0 | 0 | 0 | 108.1 | T99 R111 | T99-D102 HydrophobicContact CG2-CB 4.5Å; D102-R111 WeakPolarHBondContact OD1-CG 3.49Å; D102-R111 IonicContact OD1-CZ 3.92Å; D102-R111 IonicContact OD1-NE 3.8Å; D102-R111 PolarHBondContact OD1-NE 3.33Å; D102-R111 IonicContact OD1-NH2 3.94Å; D102-R111 IonicContact OD2-CZ 3.93Å; D102-R111 VanDerWaalsContact OD2-CZ 3.29Å; D102-R111 IonicContact OD2-NE 3.48Å; D102-R111 PolarHBondContact OD2-NE 3.49Å; D102-R111 VanDerWaalsContact OD2-NE 3.14Å; D102-R111 IonicContact OD2-NH2 2.9Å; D102-R111 PolarHBondContact OD2-NH2 3.4Å |
| 103 | I | 88.1 | Confident | 77.1 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.7 | -175.6 | 61 | 169.3 | 0 | 0 | 0 | 110.7 | W101 R111 A112 A176 W178 I185 | W101-I103 HydrophobicContact CE3-CD1 4.33Å; W101-I103 HydrophobicContact CE3-CG1 3.92Å; W101-I103 HydrophobicContact CE3-CG2 4.16Å; W101-I103 HydrophobicContact CZ3-CD1 3.93Å; W101-I103 HydrophobicContact CZ3-CG1 3.75Å; I103-R111 CarbonylContact O-C 3.51Å; I103-R111 VanDerWaalsContact O-CA 3.28Å; I103-R111 WeakPolarHBondContact O-CA 3.49Å; I103-A112 HydrophobicContact CD1-CB 4.4Å; I103-A112 HydrophobicContact CG1-CB 3.95Å; I103-A112 PolarHBondContact N-O 2.77Å; I103-A112 PolarHBondContact O-N 2.97Å; I103-A176 HydrophobicContact CD1-CB 4.06Å; I103-A176 HydrophobicContact CG2-CB 3.86Å; I103-W178 HydrophobicContact CD1-CG 4.42Å; I103-W178 PolarHBondContact O-NE1 3.45Å; I103-I185 HydrophobicContact CD1-CG2 3.79Å |
| 104 | K | 85.7 | Confident | 79.2 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.3 | 175.6 | -63.5 | 165.4 | -166.8 | 153.9 | 0 | 109.1 | E41 H110 R111 | E41-K104 IonicContact OE1-NZ 3.33Å; E41-K104 PolarHBondContact OE1-NZ 2.62Å; K104-H110 CarbonylContact C-O 3.58Å; K104-H110 VanDerWaalsContact CA-O 3.31Å; K104-H110 WeakPolarHBondContact CA-O 3.41Å; K104-R111 HydrophobicContact CG-CB 4.29Å; K104-R111 HydrophobicContact CG-CG 4.1Å |
| 105 | S | 86 | Confident | 81.3 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -64.5 | 157.5 | 168.4 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | E107 G108 S109 H110 R182 | S105-E107 WeakPolarHBondContact CB-OE1 3.42Å; S105-E107 PolarHBondContact O-N 3.38Å; S105-E107 PolarHBondContact OG-OE1 2.9Å; S105-G108 WeakPolarHBondContact O-CA 3.03Å; S105-G108 PolarHBondContact O-N 2.87Å; S105-S109 PolarHBondContact OG-N 3.27Å; S105-H110 PolarHBondContact N-O 2.98Å; S105-H110 PolarHBondContact OG-N 2.94Å; S105-H110 VanDerWaalsContact OG-N 3.1Å; S105-R182 VanDerWaalsContact CB-NE 3.31Å | ||
| 106 | P | 73.2 | Confident | 82.8 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -27.1 | 178.6 | -31.2 | 35.6 | 0 | 0 | 0 | 116 | F25 R382 | F25-P106 WeakPolarHBondContact CD1-O 3.1Å; F25-P106 WeakPolarHBondContact CE1-O 3.33Å; P106-R382 PolarHBondContact O-NH1 3.32Å |
| 107 | E | 74.2 | Confident | 83.6 | Confident | 78 Ų | 78 | 42.5 Ų | 42.5 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -7.2 | 175.9 | 66 | -79 | 172.2 | 0 | 0 | 114.2 | S105 S109 H110 R182 | S105-E107 WeakPolarHBondContact CB-OE1 3.42Å; S105-E107 PolarHBondContact O-N 3.38Å; S105-E107 PolarHBondContact OG-OE1 2.9Å; E107-S109 VanDerWaalsContact C-N 3.27Å; E107-S109 WeakPolarHBondContact CG-OG 3.48Å; E107-S109 PolarHBondContact O-N 2.91Å; E107-S109 PolarHBondContact OE1-OG 3.23Å; E107-H110 IonicContact OE1-ND1 3.54Å; E107-R182 IonicContact OE1-CZ 2.85Å; E107-R182 IonicContact OE1-NE 3.54Å; E107-R182 PolarHBondContact OE1-NE 3.33Å; E107-R182 IonicContact OE1-NH2 3.43Å; E107-R182 IonicContact OE2-CZ 3.84Å; E107-R182 IonicContact OE2-NE 2.84Å; E107-R182 IonicContact OE2-NH2 3.93Å; E107-R182 PolarHBondContact OE2-NH2 3.5Å |
| 108 | G | 75.8 | Confident | 83.9 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 78.2 | -2.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S105 | S105-G108 WeakPolarHBondContact O-CA 3.03Å; S105-G108 PolarHBondContact O-N 2.87Å |
| 109 | S | 84.7 | Confident | 83.4 | Confident | 31 Ų | 31 | 39.2 Ų | 39.2 | 22% | 0.217 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -75 | -27.5 | -178 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | S105 E107 I144 N145 | S105-S109 PolarHBondContact OG-N 3.27Å; E107-S109 VanDerWaalsContact C-N 3.27Å; E107-S109 WeakPolarHBondContact CG-OG 3.48Å; E107-S109 PolarHBondContact O-N 2.91Å; E107-S109 PolarHBondContact OE1-OG 3.23Å; S109-I144 CarbonylContact O-C 3.55Å; S109-I144 WeakPolarHBondContact O-CA 3.37Å; S109-N145 WeakPolarHBondContact CB-OD1 2.98Å; S109-N145 PolarHBondContact O-N 3.01Å |
| 110 | H | 91.4 | Very high | 82.4 | Confident | 37 Ų | 37 | 38.8 Ų | 38.8 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.8 | 176.7 | -60.1 | 71.3 | 0 | 0 | 0 | 109.2 | K104 S105 E107 W178 | K104-H110 CarbonylContact C-O 3.58Å; K104-H110 VanDerWaalsContact CA-O 3.31Å; K104-H110 WeakPolarHBondContact CA-O 3.41Å; S105-H110 PolarHBondContact N-O 2.98Å; S105-H110 PolarHBondContact OG-N 2.94Å; S105-H110 VanDerWaalsContact OG-N 3.1Å; E107-H110 IonicContact OE1-ND1 3.54Å; H110-W178 HydrophobicContact CB-CD2 4.41Å; H110-W178 HydrophobicContact CB-CH2 4.03Å; H110-W178 HydrophobicContact CB-CZ2 3.86Å; H110-W178 HydrophobicContact CB-CZ3 4.35Å |
| 111 | R | 91 | Very high | 80.8 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134.9 | 176.6 | 178 | -175.1 | 178.1 | -149 | 3.5 | 109.6 | D102 I103 K104 V113 W143 | D102-R111 WeakPolarHBondContact OD1-CG 3.49Å; D102-R111 IonicContact OD1-CZ 3.92Å; D102-R111 IonicContact OD1-NE 3.8Å; D102-R111 PolarHBondContact OD1-NE 3.33Å; D102-R111 IonicContact OD1-NH2 3.94Å; D102-R111 IonicContact OD2-CZ 3.93Å; D102-R111 VanDerWaalsContact OD2-CZ 3.29Å; D102-R111 IonicContact OD2-NE 3.48Å; D102-R111 PolarHBondContact OD2-NE 3.49Å; D102-R111 VanDerWaalsContact OD2-NE 3.14Å; D102-R111 IonicContact OD2-NH2 2.9Å; D102-R111 PolarHBondContact OD2-NH2 3.4Å; I103-R111 CarbonylContact O-C 3.51Å; I103-R111 VanDerWaalsContact O-CA 3.28Å; I103-R111 WeakPolarHBondContact O-CA 3.49Å; K104-R111 HydrophobicContact CG-CB 4.29Å; K104-R111 HydrophobicContact CG-CG 4.1Å; R111-V113 HydrophobicContact CG-CG2 4.17Å; R111-W143 HydrophobicContact CB-CB 4.23Å; R111-W143 PolarHBondContact N-O 3.21Å; R111-W143 PolarHBondContact O-N 2.97Å |
| 112 | A | 92.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | W101 I103 I140 Q141 W178 I185 | W101-A112 HydrophobicContact CZ3-CB 3.92Å; I103-A112 HydrophobicContact CD1-CB 4.4Å; I103-A112 HydrophobicContact CG1-CB 3.95Å; I103-A112 PolarHBondContact N-O 2.77Å; I103-A112 PolarHBondContact O-N 2.97Å; A112-I140 HydrophobicContact CB-CG2 4.09Å; A112-Q141 WeakPolarHBondContact CA-O 3.25Å; A112-W178 HydrophobicContact CB-CH2 4.17Å; A112-W178 HydrophobicContact CB-CZ2 3.44Å; A112-W178 VanDerWaalsContact CB-CZ2 3.44Å; A112-I185 HydrophobicContact CB-CD1 3.43Å; A112-I185 VanDerWaalsContact CB-CD1 3.43Å |
| 113 | V | 90.8 | Very high | 77 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.8 | -179.9 | -169.8 | 0 | 0 | 0 | 0 | 108.1 | T99 R111 I115 I140 Q141 | T99-V113 HydrophobicContact CG2-CG1 3.8Å; R111-V113 HydrophobicContact CG-CG2 4.17Å; V113-I115 HydrophobicContact CG1-CG2 3.87Å; V113-I140 WeakPolarHBondContact O-CA 3.43Å; V113-Q141 PolarHBondContact N-O 2.88Å; V113-Q141 PolarHBondContact O-N 2.99Å |
| 114 | C | 90.6 | Very high | 74.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.9 | 173.6 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | I100 W101 I138 F139 I140 | I100-C114 HydrophobicContact CB-CB 4.28Å; I100-C114 PolarHBondContact N-O 3.14Å; W101-C114 HydrophobicContact CD2-CB 3.22Å; W101-C114 HydrophobicContact CE3-CB 3.55Å; W101-C114 HydrophobicContact CG-CB 3.79Å; W101-C114 HydrophobicContact CH2-CB 3.73Å; W101-C114 HydrophobicContact CZ2-CB 3.43Å; W101-C114 VanDerWaalsContact CZ2-CB 3.43Å; W101-C114 HydrophobicContact CZ3-CB 3.78Å; W101-C114 PolarHBondContact N-O 3.44Å; W101-C114 PolarHBondContact O-N 3.37Å; C114-I138 WeakPolarHBondContact SG-CG2 3.45Å; C114-F139 CarbonylContact C-O 3.55Å; C114-F139 WeakPolarHBondContact CA-O 3.19Å; C114-I140 HydrophobicContact CB-CG1 4.14Å |
| 115 | I | 87.6 | Confident | 72.6 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.4 | -177.7 | 61.6 | 174.3 | 0 | 0 | 0 | 110.6 | V97 R98 V113 I138 F139 Q141 | V97-I115 HydrophobicContact CG1-CB 4.04Å; V97-I115 HydrophobicContact CG1-CD1 4.16Å; V97-I115 HydrophobicContact CG1-CG2 4.4Å; R98-I115 CarbonylContact O-C 3.43Å; R98-I115 VanDerWaalsContact O-CA 3.3Å; R98-I115 WeakPolarHBondContact O-CA 3.46Å; V113-I115 HydrophobicContact CG1-CG2 3.87Å; I115-I138 CarbonylContact O-C 3.4Å; I115-I138 WeakPolarHBondContact O-CA 3.19Å; I115-F139 HydrophobicContact CD1-CB 4.42Å; I115-F139 HydrophobicContact CG1-CB 3.92Å; I115-F139 PolarHBondContact N-O 3.46Å; I115-F139 PolarHBondContact O-N 3.2Å; I115-Q141 HydrophobicContact CD1-CG 4.18Å; I115-Q141 VanDerWaalsContact CD1-NE2 3.33Å |
| 116 | E | 83.9 | Confident | 70.2 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.3 | 167.2 | -178.1 | 174.3 | -140.6 | 0 | 0 | 108.6 | V97 R98 I100 I138 | V97-E116 CarbonylContact C-O 3.6Å; V97-E116 VanDerWaalsContact CA-O 3.23Å; V97-E116 WeakPolarHBondContact CA-O 3.29Å; R98-E116 HydrophobicContact CB-CB 4.43Å; R98-E116 PolarHBondContact N-O 2.89Å; R98-E116 PolarHBondContact O-N 2.95Å; I100-E116 HydrophobicContact CD1-CB 4.03Å; I100-E116 HydrophobicContact CG1-CB 4.16Å; E116-I138 HydrophobicContact CB-CG1 4.43Å; E116-I138 HydrophobicContact CG-CG1 4.4Å |
| 117 | C | 80.9 | Confident | 68.7 | Low | 10 Ų | 10 | 70.8 Ų | 70.8 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123 | 173.9 | -61.3 | 0 | 0 | 0 | 0 | 109.4 | H96 S136 G137 F139 | H96-C117 CarbonylContact O-C 3.56Å; H96-C117 WeakPolarHBondContact O-CA 3.09Å; C117-S136 CarbonylContact O-C 3.6Å; C117-S136 VanDerWaalsContact O-CA 3.25Å; C117-S136 WeakPolarHBondContact O-CA 3.24Å; C117-G137 PolarHBondContact N-O 3.34Å; C117-G137 PolarHBondContact O-N 3.48Å; C117-F139 HydrophobicContact CB-CD2 4.24Å; C117-F139 HydrophobicContact CB-CE2 4Å |
| 118 | N | 74.4 | Confident | 67 | Low | 107 Ų | 107 | 75.9 Ų | 75.9 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | trans | -131.4 | 71.2 | 174.7 | -166.6 | 8.6 | 0 | 0 | 0 | 110.5 | H96 | H96-N118 VanDerWaalsContact CB-O 3.27Å; H96-N118 WeakPolarHBondContact CB-O 3.45Å; H96-N118 PolarHBondContact ND1-O 3.32Å; H96-N118 PolarHBondContact O-N 3.42Å | ||
| 119 | P | 66 | Low | 65.3 | Low | 34 Ų | 34 | 79 Ų | 79 | 22% | 0.221 | 44% | 0.439 | C | S | . | . | trans | -59.3 | 149 | 179.8 | 25.4 | -32.6 | 0 | 0 | 0 | 110.9 | L121 A134 | P119-L121 PolarHBondContact O-N 3.4Å; P119-A134 WeakPolarHBondContact CG-O 3.3Å | ||
| 120 | P | 56.6 | Low | 62.8 | Low | 73 Ų | 73 | 84.3 Ų | 84.3 | 47% | 0.474 | 46% | 0.463 | S | S | . | . | trans | -67.9 | 138.7 | -176.8 | 27 | -28.1 | 0 | 0 | 0 | 110.4 | A122 | P120-A122 HydrophobicContact CB-CB 4.11Å; P120-A122 HydrophobicContact CG-CB 4.47Å; P120-A122 PolarHBondContact O-N 2.97Å | ||
| 121 | L | 50.1 | Low | 60.4 | Low | 196 Ų | 196 | 85 Ų | 85 | 100% | 1.026 | 48% | 0.475 | S | S | * | . | trans | -70.9 | 66.5 | 160.2 | -74.7 | 155 | 0 | 0 | 0 | 108.8 | P119 | P119-L121 PolarHBondContact O-N 3.4Š| ||
| 122 | A | 44.9 | Very low | 58.4 | Low | 60 Ų | 60 | 86 Ų | 86 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | trans | -122 | 127.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P120 N124 | P120-A122 HydrophobicContact CB-CB 4.11Å; P120-A122 HydrophobicContact CG-CB 4.47Å; P120-A122 PolarHBondContact O-N 2.97Å; A122-N124 PolarHBondContact O-N 3.28Å | ||
| 123 | S | 48 | Very low | 56.3 | Low | 122 Ų | 122 | 88.4 Ų | 88.4 | 85% | 0.853 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -71.4 | 12.1 | -176 | 49.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 124 | N | 42.1 | Very low | 54.7 | Low | 150 Ų | 150 | 92.4 Ų | 92.4 | 80% | 0.802 | 55% | 0.545 | S | S | * | . | trans | -162.5 | 91 | 173.5 | -95.2 | -32.2 | 0 | 0 | 0 | 111.5 | A122 | A122-N124 PolarHBondContact O-N 3.28Š| ||
| 125 | P | 39.7 | Very low | 53.7 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | trans | -74.8 | 132.7 | 172.1 | 28.3 | -30 | 0 | 0 | 0 | 110.6 | K127 | P125-K127 PolarHBondContact O-N 3.48Š| ||
| 126 | S | 36.5 | Very low | 53.3 | Low | 79 Ų | 79 | 98.5 Ų | 98.5 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | trans | -61.8 | 134.5 | 166.3 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | H128 T129 | S126-H128 PolarHBondContact O-N 2.81Å; S126-T129 PolarHBondContact O-N 3.49Å; S126-T129 VanDerWaalsContact O-N 3.15Å; S126-T129 PolarHBondContact O-OG1 3.25Å; S126-T129 PolarHBondContact OG-OG1 3.03Å | ||
| 127 | K | 40.6 | Very low | 53.3 | Low | 185 Ų | 185 | 95.6 Ų | 95.6 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -13.6 | -175.6 | -78.3 | -176.2 | 175.4 | -179.7 | 0 | 116.7 | P125 | P125-K127 PolarHBondContact O-N 3.48Š|
| 128 | H | 39.5 | Very low | 53.6 | Low | 185 Ų | 185 | 95.5 Ų | 95.5 | 86% | 0.856 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 0.2 | -176.1 | -65.7 | -70.2 | 0 | 0 | 0 | 114.9 | S126 | S126-H128 PolarHBondContact O-N 2.81Š|
| 129 | T | 39 | Very low | 54.4 | Low | 102 Ų | 102 | 91 Ų | 91 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | trans | -127.3 | 59.1 | 175.9 | 27.1 | 0 | 0 | 0 | 0 | 110.4 | S126 | S126-T129 PolarHBondContact O-N 3.49Å; S126-T129 VanDerWaalsContact O-N 3.15Å; S126-T129 PolarHBondContact O-OG1 3.25Å; S126-T129 PolarHBondContact OG-OG1 3.03Å | ||
| 130 | I | 33.9 | Very low | 55.7 | Low | 141 Ų | 141 | 89.4 Ų | 89.4 | 72% | 0.723 | 54% | 0.535 | S | S | * | . | trans | -89.6 | 102.9 | 168 | -56.4 | 174.6 | 0 | 0 | 0 | 106.4 | ||||
| 131 | A | 40.6 | Very low | 57.4 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | trans | -57.9 | 147.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T133 | A131-T133 WeakPolarHBondContact CB-O 3.18Å; A131-T133 PolarHBondContact O-N 2.95Å | ||
| 132 | S | 47.5 | Very low | 59.5 | Low | 116 Ų | 116 | 78.9 Ų | 78.9 | 81% | 0.811 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -61.4 | -12.9 | 179.3 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 133 | T | 48.2 | Very low | 61.8 | Low | 50 Ų | 50 | 79.6 Ų | 79.6 | 31% | 0.307 | 47% | 0.465 | S | S | . | . | trans | -136.8 | 138.5 | 171.4 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | A131 | A131-T133 WeakPolarHBondContact CB-O 3.18Å; A131-T133 PolarHBondContact O-N 2.95Å | ||
| 134 | A | 57.1 | Low | 63.9 | Low | 94 Ų | 94 | 76.6 Ų | 76.6 | 78% | 0.777 | 44% | 0.438 | S | S | * | . | trans | -80.9 | -7.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | P119 | P119-A134 WeakPolarHBondContact CG-O 3.3Š| ||
| 135 | D | 69.9 | Low | 66 | Low | 85 Ų | 85 | 75.1 Ų | 75.1 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | trans | -86 | 123.6 | -171.9 | -83.5 | 16.7 | 0 | 0 | 0 | 111.8 | F139 K153 | D135-F139 HydrophobicContact CB-CZ 4.05Å; D135-K153 IonicContact OD2-NZ 2.83Å; D135-K153 PolarHBondContact OD2-NZ 2.73Å | ||
| 136 | S | 79 | Confident | 68.1 | Low | 58 Ų | 58 | 73.5 Ų | 73.5 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | trans | -66.3 | 140.5 | 163.3 | 60 | 0 | 0 | 0 | 0 | 110.8 | C117 | C117-S136 CarbonylContact O-C 3.6Å; C117-S136 VanDerWaalsContact O-CA 3.25Å; C117-S136 WeakPolarHBondContact O-CA 3.24Å | ||
| 137 | G | 84.2 | Confident | 70.6 | Confident | 9 Ų | 9 | 79 Ų | 79 | 9% | 0.093 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | -178.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | C117 F139 | C117-G137 PolarHBondContact N-O 3.34Å; C117-G137 PolarHBondContact O-N 3.48Å; G137-F139 WeakPolarHBondContact O-CD2 3.23Å; G137-F139 WeakPolarHBondContact O-CE2 3.37Å |
| 138 | I | 88.7 | Confident | 73 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132 | 175.7 | -56.7 | 179.6 | 0 | 0 | 0 | 109.1 | I100 C114 I115 E116 L154 T156 V165 | I100-I138 HydrophobicContact CD1-CD1 3.93Å; I100-I138 HydrophobicContact CD1-CG1 4.25Å; I100-I138 HydrophobicContact CD1-CG2 3.8Å; C114-I138 WeakPolarHBondContact SG-CG2 3.45Å; I115-I138 CarbonylContact O-C 3.4Å; I115-I138 WeakPolarHBondContact O-CA 3.19Å; E116-I138 HydrophobicContact CB-CG1 4.43Å; E116-I138 HydrophobicContact CG-CG1 4.4Å; I138-L154 HydrophobicContact CB-CB 4.39Å; I138-L154 HydrophobicContact CB-CD1 4.42Å; I138-L154 HydrophobicContact CG2-CD1 3.78Å; I138-L154 HydrophobicContact CG2-CG 4.44Å; I138-L154 PolarHBondContact O-N 2.97Å; I138-T156 HydrophobicContact CB-CG2 4.26Å; I138-T156 HydrophobicContact CD1-CG2 4.09Å; I138-T156 HydrophobicContact CG1-CG2 4.36Å; I138-V165 HydrophobicContact CD1-CB 4.12Å; I138-V165 HydrophobicContact CD1-CG2 3.78Å; I138-V165 HydrophobicContact CG2-CG2 4.1Å |
| 139 | F | 90.2 | Very high | 75.4 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 6% | 0.057 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.9 | -177.6 | -59 | -96.5 | 0 | 0 | 0 | 110.6 | C114 I115 C117 D135 G137 I152 K153 | C114-F139 CarbonylContact C-O 3.55Å; C114-F139 WeakPolarHBondContact CA-O 3.19Å; I115-F139 HydrophobicContact CD1-CB 4.42Å; I115-F139 HydrophobicContact CG1-CB 3.92Å; I115-F139 PolarHBondContact N-O 3.46Å; I115-F139 PolarHBondContact O-N 3.2Å; C117-F139 HydrophobicContact CB-CD2 4.24Å; C117-F139 HydrophobicContact CB-CE2 4Å; D135-F139 HydrophobicContact CB-CZ 4.05Å; G137-F139 WeakPolarHBondContact O-CD2 3.23Å; G137-F139 WeakPolarHBondContact O-CE2 3.37Å; F139-I152 CarbonylContact C-O 3.56Å; F139-I152 VanDerWaalsContact CA-O 3.27Å; F139-I152 WeakPolarHBondContact CA-O 3.12Å; F139-K153 HydrophobicContact CD1-CB 3.75Å; F139-K153 HydrophobicContact CD1-CG 3.98Å; F139-K153 HydrophobicContact CE1-CB 3.62Å; F139-K153 HydrophobicContact CE1-CD 3.78Å; F139-K153 HydrophobicContact CE1-CG 3.54Å; F139-K153 HydrophobicContact CZ-CD 3.98Å; F139-K153 HydrophobicContact CZ-CG 3.96Å |
| 140 | I | 92.7 | Very high | 77.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113.4 | 169.1 | -66.8 | 171.4 | 0 | 0 | 0 | 108 | W101 A112 V113 C114 V142 S151 I152 L154 I185 L233 | W101-I140 HydrophobicContact CH2-CD1 3.57Å; W101-I140 HydrophobicContact CH2-CG1 3.78Å; W101-I140 HydrophobicContact CH2-CG2 4.14Å; W101-I140 HydrophobicContact CZ2-CD1 3.71Å; W101-I140 HydrophobicContact CZ2-CG1 4.05Å; A112-I140 HydrophobicContact CB-CG2 4.09Å; V113-I140 WeakPolarHBondContact O-CA 3.43Å; C114-I140 HydrophobicContact CB-CG1 4.14Å; I140-V142 HydrophobicContact CG2-CG2 4.22Å; I140-S151 WeakPolarHBondContact O-CA 3.33Å; I140-I152 PolarHBondContact N-O 2.78Å; I140-I152 PolarHBondContact O-N 2.86Å; I140-L154 HydrophobicContact CD1-CD1 3.89Å; I140-L154 HydrophobicContact CD1-CD2 3.82Å; I140-L154 HydrophobicContact CD1-CG 4.08Å; I140-L154 HydrophobicContact CG1-CD1 4.19Å; I140-L154 HydrophobicContact CG1-CD2 4.47Å; I140-L154 HydrophobicContact CG1-CG 4.28Å; I140-I185 HydrophobicContact CG2-CD1 4.18Å; I140-L233 HydrophobicContact CB-CD2 4.25Å; I140-L233 HydrophobicContact CD1-CD2 3.54Å; I140-L233 HydrophobicContact CG1-CD2 4.47Å; I140-L233 HydrophobicContact CG2-CD2 4.34Å |
| 141 | Q | 93.1 | Very high | 80.5 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.2 | 173.9 | -64.4 | -173.3 | -12 | 0 | 0 | 109.6 | A112 V113 I115 F148 | A112-Q141 WeakPolarHBondContact CA-O 3.25Å; V113-Q141 PolarHBondContact N-O 2.88Å; V113-Q141 PolarHBondContact O-N 2.99Å; I115-Q141 HydrophobicContact CD1-CG 4.18Å; I115-Q141 VanDerWaalsContact CD1-NE2 3.33Å; Q141-F148 HydrophobicContact CB-CE2 3.99Å; Q141-F148 HydrophobicContact CG-CE2 4.06Å |
| 142 | V | 94.2 | Very high | 82.9 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.7 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | I140 I144 T149 N150 W178 L235 | I140-V142 HydrophobicContact CG2-CG2 4.22Å; V142-I144 HydrophobicContact CG1-CG1 4.26Å; V142-T149 WeakPolarHBondContact CB-OG1 3.41Å; V142-T149 WeakPolarHBondContact CG1-OG1 3.29Å; V142-T149 PolarHBondContact O-N 3.03Å; V142-T149 PolarHBondContact O-OG1 3.2Å; V142-T149 VanDerWaalsContact O-OG1 3.04Å; V142-N150 PolarHBondContact N-O 3.47Å; V142-W178 HydrophobicContact CG1-CH2 3.97Å; V142-L235 HydrophobicContact CG2-CD1 4.44Å; V142-L235 HydrophobicContact CG2-CD2 3.91Å |
| 143 | W | 92.8 | Very high | 84.9 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129 | 177.7 | -62.7 | 76.9 | 0 | 0 | 0 | 109.1 | R111 R147 F148 | R111-W143 HydrophobicContact CB-CB 4.23Å; R111-W143 PolarHBondContact N-O 3.21Å; R111-W143 PolarHBondContact O-N 2.97Å; W143-R147 CarbonylContact C-O 3.51Å; W143-R147 VanDerWaalsContact CA-O 3.22Å; W143-R147 WeakPolarHBondContact CA-O 3.38Å; W143-R147 VanDerWaalsContact CE3-C 3.47Å; W143-F148 HydrophobicContact CD2-CB 4.01Å; W143-F148 HydrophobicContact CD2-CD2 4.34Å; W143-F148 AromaticContact CE2-CD2 3.75Å; W143-F148 HydrophobicContact CE3-CB 3.79Å; W143-F148 HydrophobicContact CH2-CB 3.66Å; W143-F148 HydrophobicContact CH2-CD2 4.42Å; W143-F148 HydrophobicContact CH2-CG 4.44Å; W143-F148 HydrophobicContact CZ2-CB 3.89Å; W143-F148 AromaticContact CZ2-CD2 3.8Å; W143-F148 HydrophobicContact CZ2-CD2 3.8Å; W143-F148 HydrophobicContact CZ2-CG 4.25Å; W143-F148 HydrophobicContact CZ3-CB 3.61Å; W143-F148 AromaticContact NE1-CD2 3.95Å |
| 144 | I | 91.7 | Very high | 86.8 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125 | 177.5 | -56.1 | -176.8 | 0 | 0 | 0 | 108.1 | S109 V142 G146 R147 T149 | S109-I144 CarbonylContact O-C 3.55Å; S109-I144 WeakPolarHBondContact O-CA 3.37Å; V142-I144 HydrophobicContact CG1-CG1 4.26Å; I144-G146 PolarHBondContact O-N 3.21Å; I144-R147 PolarHBondContact N-O 3.11Å; I144-R147 WeakPolarHBondContact O-CB 3.04Å; I144-R147 PolarHBondContact O-N 3.24Å; I144-T149 HydrophobicContact CB-CG2 3.86Å; I144-T149 HydrophobicContact CD1-CG2 3.9Å; I144-T149 HydrophobicContact CG1-CG2 3.72Å |
| 145 | N | 87.1 | Confident | 88 | Confident | 120 Ų | 120 | 54.3 Ų | 54.3 | 64% | 0.642 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 42 | -176.3 | -60.4 | -37.2 | 0 | 0 | 0 | 112.5 | S109 R147 | S109-N145 WeakPolarHBondContact CB-OD1 2.98Å; S109-N145 PolarHBondContact O-N 3.01Å; N145-R147 PolarHBondContact O-N 3.43Å |
| 146 | G | 83.3 | Confident | 88.1 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I144 | I144-G146 PolarHBondContact O-N 3.21Š|
| 147 | R | 89.7 | Confident | 87.4 | Confident | 196 Ų | 196 | 52.4 Ų | 52.4 | 74% | 0.74 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.7 | 175.4 | -61.4 | -177.9 | -179.2 | 177.1 | 1 | 110.3 | W143 I144 N145 T149 | W143-R147 CarbonylContact C-O 3.51Å; W143-R147 VanDerWaalsContact CA-O 3.22Å; W143-R147 WeakPolarHBondContact CA-O 3.38Å; W143-R147 VanDerWaalsContact CE3-C 3.47Å; I144-R147 PolarHBondContact N-O 3.11Å; I144-R147 WeakPolarHBondContact O-CB 3.04Å; I144-R147 PolarHBondContact O-N 3.24Å; N145-R147 PolarHBondContact O-N 3.43Å; R147-T149 PolarHBondContact O-N 3.33Å |
| 148 | F | 90.5 | Very high | 86.2 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 125.9 | 170.2 | 177.7 | -101.1 | 0 | 0 | 0 | 109 | Q141 W143 | Q141-F148 HydrophobicContact CB-CE2 3.99Å; Q141-F148 HydrophobicContact CG-CE2 4.06Å; W143-F148 HydrophobicContact CD2-CB 4.01Å; W143-F148 HydrophobicContact CD2-CD2 4.34Å; W143-F148 AromaticContact CE2-CD2 3.75Å; W143-F148 HydrophobicContact CE3-CB 3.79Å; W143-F148 HydrophobicContact CH2-CB 3.66Å; W143-F148 HydrophobicContact CH2-CD2 4.42Å; W143-F148 HydrophobicContact CH2-CG 4.44Å; W143-F148 HydrophobicContact CZ2-CB 3.89Å; W143-F148 AromaticContact CZ2-CD2 3.8Å; W143-F148 HydrophobicContact CZ2-CD2 3.8Å; W143-F148 HydrophobicContact CZ2-CG 4.25Å; W143-F148 HydrophobicContact CZ3-CB 3.61Å; W143-F148 AromaticContact NE1-CD2 3.95Å |
| 149 | T | 90.6 | Very high | 85 | Confident | 56 Ų | 56 | 63 Ų | 63 | 34% | 0.344 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -69.5 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | V142 I144 R147 | V142-T149 WeakPolarHBondContact CB-OG1 3.41Å; V142-T149 WeakPolarHBondContact CG1-OG1 3.29Å; V142-T149 PolarHBondContact O-N 3.03Å; V142-T149 PolarHBondContact O-OG1 3.2Å; V142-T149 VanDerWaalsContact O-OG1 3.04Å; I144-T149 HydrophobicContact CB-CG2 3.86Å; I144-T149 HydrophobicContact CD1-CG2 3.9Å; I144-T149 HydrophobicContact CG1-CG2 3.72Å; R147-T149 PolarHBondContact O-N 3.33Å |
| 150 | N | 88.2 | Confident | 84.1 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 159 | -174.8 | -69.9 | 25.2 | 0 | 0 | 0 | 111.5 | V142 E238 | V142-N150 PolarHBondContact N-O 3.47Å; N150-E238 PolarHBondContact ND2-OE1 2.8Å |
| 151 | S | 91 | Very high | 83.5 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 33% | 0.329 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 110.8 | 167.8 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | I140 | I140-S151 WeakPolarHBondContact O-CA 3.33Å |
| 152 | I | 91.8 | Very high | 83.1 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.7 | -174.5 | -59.6 | 167.3 | 0 | 0 | 0 | 108.9 | F139 I140 L233 L235 E238 | F139-I152 CarbonylContact C-O 3.56Å; F139-I152 VanDerWaalsContact CA-O 3.27Å; F139-I152 WeakPolarHBondContact CA-O 3.12Å; I140-I152 PolarHBondContact N-O 2.78Å; I140-I152 PolarHBondContact O-N 2.86Å; I152-L233 HydrophobicContact CB-CD2 4.48Å; I152-L233 HydrophobicContact CD1-CD1 4.5Å; I152-L233 HydrophobicContact CD1-CD2 4Å; I152-L233 HydrophobicContact CG2-CD1 4.08Å; I152-L233 HydrophobicContact CG2-CD2 4.31Å; I152-L235 HydrophobicContact CD1-CD2 3.6Å; I152-E238 HydrophobicContact CD1-CG 3.99Å; I152-E238 HydrophobicContact CG1-CG 4.02Å; I152-E238 HydrophobicContact CG2-CB 4.16Å |
| 153 | K | 89.4 | Confident | 82.6 | Confident | 85 Ų | 85 | 70 Ų | 70 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 120.4 | 175 | -169.3 | 175.9 | -171.2 | 176.6 | 0 | 109.5 | D135 F139 | D135-K153 IonicContact OD2-NZ 2.83Å; D135-K153 PolarHBondContact OD2-NZ 2.73Å; F139-K153 HydrophobicContact CD1-CB 3.75Å; F139-K153 HydrophobicContact CD1-CG 3.98Å; F139-K153 HydrophobicContact CE1-CB 3.62Å; F139-K153 HydrophobicContact CE1-CD 3.78Å; F139-K153 HydrophobicContact CE1-CG 3.54Å; F139-K153 HydrophobicContact CZ-CD 3.98Å; F139-K153 HydrophobicContact CZ-CG 3.96Å |
| 154 | L | 88.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 146 | 177.1 | -69.3 | -175 | 0 | 0 | 0 | 111.3 | I138 I140 T156 V165 Y187 L233 V240 | I138-L154 HydrophobicContact CB-CB 4.39Å; I138-L154 HydrophobicContact CB-CD1 4.42Å; I138-L154 HydrophobicContact CG2-CD1 3.78Å; I138-L154 HydrophobicContact CG2-CG 4.44Å; I138-L154 PolarHBondContact O-N 2.97Å; I140-L154 HydrophobicContact CD1-CD1 3.89Å; I140-L154 HydrophobicContact CD1-CD2 3.82Å; I140-L154 HydrophobicContact CD1-CG 4.08Å; I140-L154 HydrophobicContact CG1-CD1 4.19Å; I140-L154 HydrophobicContact CG1-CD2 4.47Å; I140-L154 HydrophobicContact CG1-CG 4.28Å; L154-T156 HydrophobicContact CB-CG2 3.96Å; L154-T156 PolarHBondContact O-N 3.2Å; L154-T156 PolarHBondContact O-OG1 3.08Å; L154-T156 VanDerWaalsContact O-OG1 3.07Å; L154-V165 HydrophobicContact CD1-CG2 3.8Å; L154-Y187 HydrophobicContact CD1-CE2 4.15Å; L154-L233 HydrophobicContact CD2-CD2 4.42Å; L154-V240 HydrophobicContact CD2-CG2 3.99Å |
| 155 | P | 81.2 | Confident | 82.1 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -74.8 | 72.9 | -177.9 | 33.1 | -36.6 | 0 | 0 | 0 | 111.1 | A160 R161 V240 | P155-A160 CarbonylContact O-C 3.48Å; P155-A160 VanDerWaalsContact O-CA 3.27Å; P155-A160 WeakPolarHBondContact O-CA 3.44Å; P155-R161 HydrophobicContact CB-CB 4.41Å; P155-R161 HydrophobicContact CB-CG 4.4Å; P155-R161 HydrophobicContact CG-CB 4.25Å; P155-R161 PolarHBondContact O-N 3.49Å; P155-V240 HydrophobicContact CG-CB 4.3Å; P155-V240 HydrophobicContact CG-CG2 4.06Å |
| 156 | T | 71.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 17% | 0.172 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -116.6 | -5.7 | -171.7 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | I138 L154 H162 | I138-T156 HydrophobicContact CB-CG2 4.26Å; I138-T156 HydrophobicContact CD1-CG2 4.09Å; I138-T156 HydrophobicContact CG1-CG2 4.36Å; L154-T156 HydrophobicContact CB-CG2 3.96Å; L154-T156 PolarHBondContact O-N 3.2Å; L154-T156 PolarHBondContact O-OG1 3.08Å; L154-T156 VanDerWaalsContact O-OG1 3.07Å; T156-H162 WeakPolarHBondContact CG2-CE1 3.5Å |
| 157 | T | 64.5 | Low | 82 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -124.7 | -86.2 | -175 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 158 | L | 59.2 | Low | 80.9 | Confident | 143 Ų | 143 | 53.8 Ų | 53.8 | 75% | 0.749 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 126.2 | 175.8 | -165.1 | 75.4 | 0 | 0 | 0 | 109.7 | A160 | L158-A160 VanDerWaalsContact C-N 3.27Å; L158-A160 PolarHBondContact O-N 3.38Å |
| 159 | N | 64 | Low | 79.3 | Confident | 97 Ų | 97 | 53.5 Ų | 53.5 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 43.8 | -172.4 | -58.2 | -29.1 | 0 | 0 | 0 | 112.3 | R161 | N159-R161 WeakPolarHBondContact O-CG 3.3Å; N159-R161 PolarHBondContact O-N 3.1Å; N159-R161 VanDerWaalsContact O-N 3.12Å |
| 160 | A | 71.3 | Confident | 77.5 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 20% | 0.198 | 30% | 0.301 | C | S | . | . | trans | -52.9 | 119.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P155 L158 | P155-A160 CarbonylContact O-C 3.48Å; P155-A160 VanDerWaalsContact O-CA 3.27Å; P155-A160 WeakPolarHBondContact O-CA 3.44Å; L158-A160 VanDerWaalsContact C-N 3.27Å; L158-A160 PolarHBondContact O-N 3.38Å | ||
| 161 | R | 79 | Confident | 76.4 | Confident | 160 Ų | 160 | 53.5 Ų | 53.5 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -96.4 | -15.5 | 178.5 | -63.5 | -167.1 | 178.4 | -173.6 | -3.3 | 112 | P155 N159 K229 F242 | P155-R161 HydrophobicContact CB-CB 4.41Å; P155-R161 HydrophobicContact CB-CG 4.4Å; P155-R161 HydrophobicContact CG-CB 4.25Å; P155-R161 PolarHBondContact O-N 3.49Å; N159-R161 WeakPolarHBondContact O-CG 3.3Å; N159-R161 PolarHBondContact O-N 3.1Å; N159-R161 VanDerWaalsContact O-N 3.12Å; R161-K229 PolarHBondContact O-NZ 3.43Å; R161-F242 HydrophobicContact CB-CE1 4.47Å; R161-F242 HydrophobicContact CB-CE2 3.68Å; R161-F242 HydrophobicContact CB-CZ 3.4Å; R161-F242 HydrophobicContact CG-CE2 4.42Å |
| 162 | H | 84.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -150 | 159.5 | 171.9 | 65.1 | 77.2 | 0 | 0 | 0 | 110.3 | T156 Y187 A189 F242 | T156-H162 WeakPolarHBondContact CG2-CE1 3.5Å; H162-Y187 AromaticContact NE2-CE2 3.98Å; H162-Y187 AromaticContact NE2-CZ 3.86Å; H162-Y187 PolarHBondContact NE2-OH 3.06Å; H162-A189 HydrophobicContact CB-CB 3.9Å; H162-A189 WeakPolarHBondContact ND1-CB 3.44Å; H162-F242 HydrophobicContact CB-CE1 4.02Å; H162-F242 AromaticContact CD2-CE1 3.78Å |
| 163 | G | 84.2 | Confident | 75.5 | Confident | 23 Ų | 23 | 52 Ų | 52 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | trans | -85.6 | -146.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V165 E190 | G163-V165 PolarHBondContact O-N 3.48Å; G163-E190 PolarHBondContact N-O 3.34Å | ||
| 164 | R | 85.2 | Confident | 75.2 | Confident | 104 Ų | 104 | 49.2 Ų | 49.2 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -52 | 132.9 | -178.3 | -173.9 | -174.3 | 71.8 | -169 | 2.6 | 111.7 | A189 E190 E223 G224 S225 | R164-A189 CarbonylContact O-C 3.58Å; R164-A189 VanDerWaalsContact O-CA 3.32Å; R164-A189 WeakPolarHBondContact O-CA 3.32Å; R164-E190 HydrophobicContact CB-CB 4.39Å; R164-E190 PolarHBondContact O-N 2.94Å; R164-E223 PolarHBondContact NH1-O 3.29Å; R164-G224 PolarHBondContact NH1-O 2.89Å; R164-G224 PolarHBondContact NH2-O 2.79Å; R164-S225 PolarHBondContact NH2-OG 3.06Å |
| 165 | V | 89.1 | Confident | 74.6 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 136.7 | 172.7 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | I100 W101 I138 L154 G163 Y187 A189 | I100-V165 HydrophobicContact CD1-CB 3.96Å; I100-V165 HydrophobicContact CD1-CG1 4.47Å; I100-V165 HydrophobicContact CG2-CB 4.34Å; I100-V165 HydrophobicContact CG2-CG1 4.05Å; W101-V165 VanDerWaalsContact NE1-CG1 3.3Å; I138-V165 HydrophobicContact CD1-CB 4.12Å; I138-V165 HydrophobicContact CD1-CG2 3.78Å; I138-V165 HydrophobicContact CG2-CG2 4.1Å; L154-V165 HydrophobicContact CD1-CG2 3.8Å; G163-V165 PolarHBondContact O-N 3.48Å; V165-Y187 HydrophobicContact CG1-CD2 3.96Å; V165-Y187 HydrophobicContact CG1-CE2 4.46Å; V165-Y187 HydrophobicContact CG2-CD2 4.36Å; V165-Y187 HydrophobicContact CG2-CE2 4.05Å; V165-A189 HydrophobicContact CG2-CB 4.36Å |
| 166 | Y | 88 | Confident | 75.1 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 143.8 | 179.5 | -76.8 | -96.2 | 0 | 0 | 0 | 111.5 | F173 L188 E190 S225 P228 | Y166-F173 WeakPolarHBondContact CB-O 3.48Å; Y166-F173 HydrophobicContact CD1-CB 3.49Å; Y166-F173 VanDerWaalsContact CD1-CB 3.49Å; Y166-F173 HydrophobicContact CD1-CG 4.49Å; Y166-F173 WeakPolarHBondContact CD1-O 3.49Å; Y166-F173 HydrophobicContact CE1-CB 3.55Å; Y166-F173 AromaticContact CE1-CD2 3.99Å; Y166-F173 HydrophobicContact CE1-CD2 3.99Å; Y166-F173 HydrophobicContact CE1-CG 4.1Å; Y166-F173 HydrophobicContact CG-CB 4.22Å; Y166-L188 HydrophobicContact CD2-CB 4.12Å; Y166-L188 HydrophobicContact CG-CB 4.32Å; Y166-L188 PolarHBondContact N-O 3.04Å; Y166-E190 HydrophobicContact CE2-CB 4.3Å; Y166-E190 WeakPolarHBondContact CE2-OE2 3.02Å; Y166-E190 PolarHBondContact OH-OE2 3.43Å; Y166-S225 WeakPolarHBondContact CE1-OG 3.4Å; Y166-S225 VanDerWaalsContact OH-CA 3.32Å; Y166-S225 WeakPolarHBondContact OH-CA 3.48Å; Y166-S225 VanDerWaalsContact OH-CB 3.23Å; Y166-S225 WeakPolarHBondContact OH-CB 3.45Å; Y166-P228 HydrophobicContact CD2-CB 4.25Å; Y166-P228 HydrophobicContact CE1-CG 4.38Å; Y166-P228 HydrophobicContact CE2-CB 3.69Å; Y166-P228 HydrophobicContact CE2-CG 4.22Å |
| 167 | P | 80.5 | Confident | 76.1 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 166.6 | 179.9 | 30.7 | -32.9 | 0 | 0 | 0 | 113.7 | I100 V171 | I100-P167 HydrophobicContact CG2-CB 4.23Å; I100-P167 WeakPolarHBondContact O-CA 3.13Å; I100-P167 WeakPolarHBondContact O-CB 3.45Å; P167-V171 HydrophobicContact CG-CG1 4.21Å; P167-V171 HydrophobicContact CG-CG2 3.68Å |
| 168 | S | 66.7 | Low | 77.5 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -86 | 138.7 | 174.1 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | I100 W101 S170 | I100-S168 PolarHBondContact O-N 2.82Å; W101-S168 WeakPolarHBondContact CA-OG 3.34Å; W101-S168 VanDerWaalsContact CB-CB 3.42Å; W101-S168 WeakPolarHBondContact CB-OG 3.36Å; S168-S170 PolarHBondContact O-N 2.85Å; S168-S170 VanDerWaalsContact O-N 3.14Å; S168-S170 PolarHBondContact O-OG 3.44Å |
| 169 | N | 55.8 | Low | 79.3 | Confident | 93 Ų | 93 | 39.3 Ų | 39.3 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 50.6 | 35.4 | 159.4 | -64.7 | 0.8 | 0 | 0 | 0 | 118.9 | ||
| 170 | S | 54.4 | Low | 80.7 | Confident | 95 Ų | 95 | 38.4 Ų | 38.4 | 66% | 0.664 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -145.9 | 6.4 | 172.7 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | S168 | S168-S170 PolarHBondContact O-N 2.85Å; S168-S170 VanDerWaalsContact O-N 3.14Å; S168-S170 PolarHBondContact O-OG 3.44Å |
| 171 | V | 63.9 | Low | 81.8 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -143.8 | 158.5 | -173.3 | -69.9 | 0 | 0 | 0 | 0 | 110.1 | P167 F173 H174 | P167-V171 HydrophobicContact CG-CG1 4.21Å; P167-V171 HydrophobicContact CG-CG2 3.68Å; V171-F173 VanDerWaalsContact C-N 3.29Å; V171-F173 WeakPolarHBondContact CG2-O 3.37Å; V171-F173 PolarHBondContact O-N 3.19Å; V171-H174 HydrophobicContact CG2-CB 4.34Å; V171-H174 PolarHBondContact O-ND1 3.36Å |
| 172 | T | 78.1 | Confident | 82.5 | Confident | 18 Ų | 18 | 35 Ų | 35 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -50 | -50.6 | 176.7 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | H174 N222 S255 L280 I281 | T172-H174 PolarHBondContact O-N 3.39Å; T172-H174 PolarHBondContact O-ND1 2.82Å; T172-H174 VanDerWaalsContact O-ND1 3.09Å; T172-N222 PolarHBondContact OG1-ND2 2.94Å; T172-S255 PolarHBondContact O-OG 3.38Å; T172-L280 HydrophobicContact CG2-CB 3.28Å; T172-L280 HydrophobicContact CG2-CD1 3.41Å; T172-L280 VanDerWaalsContact CG2-CD1 3.41Å; T172-L280 HydrophobicContact CG2-CG 3.97Å; T172-I281 VanDerWaalsContact OG1-CG1 3.25Å; T172-I281 WeakPolarHBondContact OG1-CG1 3.37Å |
| 173 | F | 86.6 | Confident | 83 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -93.9 | 93.1 | 179.6 | -58.6 | -63.9 | 0 | 0 | 0 | 109.2 | Y166 V171 L188 W218 P228 A253 Y271 L280 | Y166-F173 WeakPolarHBondContact CB-O 3.48Å; Y166-F173 HydrophobicContact CD1-CB 3.49Å; Y166-F173 VanDerWaalsContact CD1-CB 3.49Å; Y166-F173 HydrophobicContact CD1-CG 4.49Å; Y166-F173 WeakPolarHBondContact CD1-O 3.49Å; Y166-F173 HydrophobicContact CE1-CB 3.55Å; Y166-F173 AromaticContact CE1-CD2 3.99Å; Y166-F173 HydrophobicContact CE1-CD2 3.99Å; Y166-F173 HydrophobicContact CE1-CG 4.1Å; Y166-F173 HydrophobicContact CG-CB 4.22Å; V171-F173 VanDerWaalsContact C-N 3.29Å; V171-F173 WeakPolarHBondContact CG2-O 3.37Å; V171-F173 PolarHBondContact O-N 3.19Å; F173-L188 HydrophobicContact CB-CD1 4.5Å; F173-W218 HydrophobicContact CE2-CB 3.99Å; F173-W218 AromaticContact CE2-CD1 3.43Å; F173-W218 VanDerWaalsContact CE2-CD1 3.43Å; F173-W218 AromaticContact CE2-CD2 3.66Å; F173-W218 HydrophobicContact CE2-CD2 3.66Å; F173-W218 AromaticContact CE2-CE2 3.87Å; F173-W218 HydrophobicContact CE2-CE3 4.4Å; F173-W218 AromaticContact CE2-CG 3.42Å; F173-W218 HydrophobicContact CE2-CG 3.42Å; F173-W218 VanDerWaalsContact CE2-CG 3.42Å; F173-W218 AromaticContact CE2-NE1 3.72Å; F173-W218 AromaticContact CZ-CD1 3.77Å; F173-W218 AromaticContact CZ-CD2 3.42Å; F173-W218 HydrophobicContact CZ-CD2 3.42Å; F173-W218 VanDerWaalsContact CZ-CD2 3.42Å; F173-W218 AromaticContact CZ-CE2 3.34Å; F173-W218 AromaticContact CZ-CE3 3.95Å; F173-W218 HydrophobicContact CZ-CE3 3.95Å; F173-W218 AromaticContact CZ-CG 3.74Å; F173-W218 HydrophobicContact CZ-CG 3.74Å; F173-W218 HydrophobicContact CZ-CH2 4.29Å; F173-W218 AromaticContact CZ-CZ2 3.8Å; F173-W218 HydrophobicContact CZ-CZ2 3.8Å; F173-W218 HydrophobicContact CZ-CZ3 4.36Å; F173-W218 AromaticContact CZ-NE1 3.57Å; F173-P228 HydrophobicContact CB-CB 4.39Å; F173-P228 HydrophobicContact CB-CG 3.97Å; F173-P228 HydrophobicContact CD1-CB 4.22Å; F173-P228 HydrophobicContact CD1-CG 3.29Å; F173-P228 HydrophobicContact CD2-CG 3.86Å; F173-P228 HydrophobicContact CE1-CG 3.67Å; F173-P228 HydrophobicContact CE2-CG 4.19Å; F173-P228 HydrophobicContact CG-CB 4.3Å; F173-P228 HydrophobicContact CG-CG 3.4Å; F173-P228 HydrophobicContact CZ-CG 4.1Å; F173-A253 HydrophobicContact CE1-CB 4.13Å; F173-A253 HydrophobicContact CZ-CB 4.42Å; F173-Y271 HydrophobicContact CE1-CD2 4.3Å; F173-L280 HydrophobicContact CE1-CD1 4.15Å; F173-L280 HydrophobicContact CZ-CD1 3.78Å |
| 174 | H | 82 | Confident | 83.6 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 13% | 0.13 | 22% | 0.223 | C | C | . | . | trans | -130.9 | 161.7 | -179.7 | 63.7 | -75.8 | 0 | 0 | 0 | 109.4 | V171 T172 L188 E256 P257 | V171-H174 HydrophobicContact CG2-CB 4.34Å; V171-H174 PolarHBondContact O-ND1 3.36Å; T172-H174 PolarHBondContact O-N 3.39Å; T172-H174 PolarHBondContact O-ND1 2.82Å; T172-H174 VanDerWaalsContact O-ND1 3.09Å; H174-L188 VanDerWaalsContact O-CD1 3.22Å; H174-L188 WeakPolarHBondContact O-CD1 3.49Å; H174-E256 IonicContact CE1-OE1 3.64Å; H174-E256 PolarHBondContact O-N 3.18Å; H174-P257 WeakPolarHBondContact O-CD 3.49Å | ||
| 175 | G | 76.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | trans | 136.4 | 108.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y187 L188 | G175-Y187 WeakPolarHBondContact O-CA 3.11Å; G175-L188 PolarHBondContact O-N 2.86Å | ||
| 176 | A | 91.5 | Very high | 84.4 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | W101 I103 V186 | W101-A176 HydrophobicContact CD2-CB 3.73Å; W101-A176 HydrophobicContact CE3-CB 4.1Å; W101-A176 HydrophobicContact CG-CB 4.06Å; W101-A176 HydrophobicContact CZ2-CB 4.17Å; W101-A176 HydrophobicContact CZ3-CB 4.48Å; I103-A176 HydrophobicContact CD1-CB 4.06Å; I103-A176 HydrophobicContact CG2-CB 3.86Å; A176-V186 CarbonylContact C-O 3.55Å; A176-V186 WeakPolarHBondContact CA-O 3.42Å |
| 177 | G | 92.5 | Very high | 84.8 | Confident | 19 Ų | 19 | 33.2 Ų | 33.2 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 138.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | I185 V186 W259 | G177-I185 WeakPolarHBondContact O-CA 3.46Å; G177-V186 PolarHBondContact N-O 3.14Å; G177-V186 PolarHBondContact O-N 2.84Å; G177-W259 PolarHBondContact O-NE1 2.79Å |
| 178 | W | 94.9 | Very high | 85.4 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 8% | 0.076 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.5 | 172.8 | -73.1 | 97 | 0 | 0 | 0 | 111.4 | I103 H110 A112 V142 R182 I185 L235 W259 | I103-W178 HydrophobicContact CD1-CG 4.42Å; I103-W178 PolarHBondContact O-NE1 3.45Å; H110-W178 HydrophobicContact CB-CD2 4.41Å; H110-W178 HydrophobicContact CB-CH2 4.03Å; H110-W178 HydrophobicContact CB-CZ2 3.86Å; H110-W178 HydrophobicContact CB-CZ3 4.35Å; A112-W178 HydrophobicContact CB-CH2 4.17Å; A112-W178 HydrophobicContact CB-CZ2 3.44Å; A112-W178 VanDerWaalsContact CB-CZ2 3.44Å; V142-W178 HydrophobicContact CG1-CH2 3.97Å; W178-R182 HydrophobicContact CE3-CB 4.34Å; W178-R182 WeakPolarHBondContact CZ3-O 3.39Å; W178-I185 HydrophobicContact CD2-CG1 4.23Å; W178-I185 HydrophobicContact CE3-CD1 4.49Å; W178-I185 HydrophobicContact CE3-CG1 3.99Å; W178-I185 HydrophobicContact CH2-CD1 4.1Å; W178-I185 HydrophobicContact CH2-CG1 4.46Å; W178-I185 HydrophobicContact CZ2-CD1 4.22Å; W178-I185 HydrophobicContact CZ3-CD1 4.26Å; W178-I185 HydrophobicContact CZ3-CG1 4.14Å; W178-L235 HydrophobicContact CE3-CD1 4.42Å; W178-L235 HydrophobicContact CH2-CD1 3.82Å; W178-L235 HydrophobicContact CZ3-CD1 3.38Å; W178-W259 VanDerWaalsContact C-NE1 3.34Å; W178-W259 PolarHBondContact O-NE1 2.89Å |
| 179 | S | 95.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -59.9 | 157.4 | 162.5 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | A181 R182 D183 K184 | S179-A181 PolarHBondContact O-N 3.17Å; S179-R182 PolarHBondContact O-N 3.23Å; S179-R182 PolarHBondContact O-NH1 3.35Å; S179-R182 PolarHBondContact OG-N 2.88Å; S179-D183 PolarHBondContact OG-N 3.03Å; S179-D183 PolarHBondContact OG-OD1 2.79Å; S179-K184 PolarHBondContact N-O 3.49Å; S179-K184 PolarHBondContact OG-N 2.88Å; S179-K184 PolarHBondContact OG-O 2.86Å | ||
| 180 | N | 94.1 | Very high | 88.3 | Confident | 79 Ų | 79 | 26.7 Ų | 26.7 | 42% | 0.422 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.1 | 176.1 | -63.9 | -70.7 | 0 | 0 | 0 | 111.5 | R182 S260 D263 | N180-R182 VanDerWaalsContact C-N 3.29Å; N180-R182 PolarHBondContact O-N 2.91Å; N180-R182 PolarHBondContact O-NH1 3.14Å; N180-S260 PolarHBondContact ND2-O 3.2Å; N180-D263 WeakPolarHBondContact CA-OD2 3.43Å; N180-D263 WeakPolarHBondContact CB-OD1 3.49Å; N180-D263 WeakPolarHBondContact CB-OD2 3.38Å; N180-D263 VanDerWaalsContact N-CG 3.32Å; N180-D263 PolarHBondContact N-OD1 2.75Å; N180-D263 PolarHBondContact N-OD2 2.79Å; N180-D263 PolarHBondContact ND2-OD1 2.86Å |
| 181 | A | 94.3 | Very high | 89.8 | Confident | 66 Ų | 66 | 24 Ų | 24 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | S179 D183 D263 | S179-A181 PolarHBondContact O-N 3.17Å; A181-D183 PolarHBondContact O-N 3.46Å; A181-D263 WeakPolarHBondContact CB-OD2 3.21Å; A181-D263 PolarHBondContact N-OD2 3Å |
| 182 | R | 94.5 | Very high | 90.5 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 18% | 0.177 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 61.7 | 18.2 | 179.4 | -47.7 | -65.5 | -179.7 | -100.1 | -7.7 | 115 | S105 E107 W178 S179 N180 | S105-R182 VanDerWaalsContact CB-NE 3.31Å; E107-R182 IonicContact OE1-CZ 2.85Å; E107-R182 IonicContact OE1-NE 3.54Å; E107-R182 PolarHBondContact OE1-NE 3.33Å; E107-R182 IonicContact OE1-NH2 3.43Å; E107-R182 IonicContact OE2-CZ 3.84Å; E107-R182 IonicContact OE2-NE 2.84Å; E107-R182 IonicContact OE2-NH2 3.93Å; E107-R182 PolarHBondContact OE2-NH2 3.5Å; W178-R182 HydrophobicContact CE3-CB 4.34Å; W178-R182 WeakPolarHBondContact CZ3-O 3.39Å; S179-R182 PolarHBondContact O-N 3.23Å; S179-R182 PolarHBondContact O-NH1 3.35Å; S179-R182 PolarHBondContact OG-N 2.88Å; N180-R182 VanDerWaalsContact C-N 3.29Å; N180-R182 PolarHBondContact O-N 2.91Å; N180-R182 PolarHBondContact O-NH1 3.14Å |
| 183 | D | 94.7 | Very high | 89.9 | Confident | 45 Ų | 45 | 27.3 Ų | 27.3 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -100.8 | -12.3 | -178.8 | 68 | -29.7 | 0 | 0 | 0 | 113.1 | S179 A181 L235 | S179-D183 PolarHBondContact OG-N 3.03Å; S179-D183 PolarHBondContact OG-OD1 2.79Å; A181-D183 PolarHBondContact O-N 3.46Å; D183-L235 VanDerWaalsContact O-CB 3.29Å; D183-L235 WeakPolarHBondContact O-CB 3.26Å; D183-L235 WeakPolarHBondContact O-CG 3.39Å; D183-L235 PolarHBondContact O-N 2.82Å |
| 184 | K | 96 | Very high | 88.3 | Confident | 55 Ų | 55 | 31.4 Ų | 31.4 | 24% | 0.239 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.2 | -177.4 | -57.6 | -177.4 | -174.7 | 75.2 | 0 | 111.6 | S179 I232 L233 D234 W259 | S179-K184 PolarHBondContact N-O 3.49Å; S179-K184 PolarHBondContact OG-N 2.88Å; S179-K184 PolarHBondContact OG-O 2.86Å; K184-I232 HydrophobicContact CB-CG2 4.02Å; K184-I232 HydrophobicContact CD-CG2 3.92Å; K184-I232 HydrophobicContact CG-CG2 4.36Å; K184-L233 CarbonylContact C-O 3.56Å; K184-L233 WeakPolarHBondContact CA-O 3.5Å; K184-D234 VanDerWaalsContact CE-OD2 3.31Å; K184-D234 WeakPolarHBondContact CE-OD2 3.46Å; K184-D234 HydrophobicContact CG-CB 4.46Å; K184-W259 HydrophobicContact CB-CH2 3.76Å; K184-W259 HydrophobicContact CB-CZ2 3.84Å; K184-W259 HydrophobicContact CD-CH2 4.03Å |
| 185 | I | 95.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.2 | 175.4 | -61.9 | 172.5 | 0 | 0 | 0 | 108.6 | W101 I103 A112 I140 G177 W178 I232 L233 L235 | W101-I185 HydrophobicContact CH2-CG2 3.97Å; I103-I185 HydrophobicContact CD1-CG2 3.79Å; A112-I185 HydrophobicContact CB-CD1 3.43Å; A112-I185 VanDerWaalsContact CB-CD1 3.43Å; I140-I185 HydrophobicContact CG2-CD1 4.18Å; G177-I185 WeakPolarHBondContact O-CA 3.46Å; W178-I185 HydrophobicContact CD2-CG1 4.23Å; W178-I185 HydrophobicContact CE3-CD1 4.49Å; W178-I185 HydrophobicContact CE3-CG1 3.99Å; W178-I185 HydrophobicContact CH2-CD1 4.1Å; W178-I185 HydrophobicContact CH2-CG1 4.46Å; W178-I185 HydrophobicContact CZ2-CD1 4.22Å; W178-I185 HydrophobicContact CZ3-CD1 4.26Å; W178-I185 HydrophobicContact CZ3-CG1 4.14Å; I185-I232 CarbonylContact O-C 3.59Å; I185-I232 WeakPolarHBondContact O-CA 3.2Å; I185-L233 PolarHBondContact N-O 3.08Å; I185-L233 PolarHBondContact O-N 3.35Å; I185-L235 HydrophobicContact CD1-CD1 4.39Å; I185-L235 HydrophobicContact CD1-CD2 4.11Å; I185-L235 HydrophobicContact CG1-CD1 4.48Å |
| 186 | V | 96.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 141.2 | 166.3 | 70.9 | 0 | 0 | 0 | 0 | 108.9 | A176 G177 L230 C231 I232 P257 W259 I266 | A176-V186 CarbonylContact C-O 3.55Å; A176-V186 WeakPolarHBondContact CA-O 3.42Å; G177-V186 PolarHBondContact N-O 3.14Å; G177-V186 PolarHBondContact O-N 2.84Å; V186-L230 HydrophobicContact CG2-CD2 4.12Å; V186-C231 CarbonylContact C-O 3.57Å; V186-C231 WeakPolarHBondContact CA-O 3.43Å; V186-I232 HydrophobicContact CG2-CG1 4.34Å; V186-P257 HydrophobicContact CG1-CB 3.9Å; V186-P257 HydrophobicContact CG1-CG 4.33Å; V186-P257 HydrophobicContact CG2-CB 3.74Å; V186-P257 HydrophobicContact CG2-CG 4.4Å; V186-W259 HydrophobicContact CB-CZ2 4.01Å; V186-W259 VanDerWaalsContact CG1-NE1 3.34Å; V186-I266 HydrophobicContact CB-CD1 4.09Å; V186-I266 HydrophobicContact CG1-CD1 4.49Å; V186-I266 HydrophobicContact CG2-CD1 4.05Å; V186-I266 HydrophobicContact CG2-CG1 4.24Å; V186-I266 HydrophobicContact CG2-CG2 4.21Å |
| 187 | Y | 95 | Very high | 81.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 165.5 | 173.1 | 66.6 | -81.1 | 0 | 0 | 0 | 111.8 | W101 L154 H162 V165 G175 A189 C231 L233 V240 | W101-Y187 HydrophobicContact CZ2-CG 4.4Å; L154-Y187 HydrophobicContact CD1-CE2 4.15Å; H162-Y187 AromaticContact NE2-CE2 3.98Å; H162-Y187 AromaticContact NE2-CZ 3.86Å; H162-Y187 PolarHBondContact NE2-OH 3.06Å; V165-Y187 HydrophobicContact CG1-CD2 3.96Å; V165-Y187 HydrophobicContact CG1-CE2 4.46Å; V165-Y187 HydrophobicContact CG2-CD2 4.36Å; V165-Y187 HydrophobicContact CG2-CE2 4.05Å; G175-Y187 WeakPolarHBondContact O-CA 3.11Å; Y187-A189 HydrophobicContact CD2-CB 4.39Å; Y187-A189 HydrophobicContact CE2-CB 4.03Å; Y187-C231 HydrophobicContact CD1-CB 3.93Å; Y187-C231 HydrophobicContact CD2-CB 3.99Å; Y187-C231 HydrophobicContact CE1-CB 3.49Å; Y187-C231 VanDerWaalsContact CE1-CB 3.49Å; Y187-C231 HydrophobicContact CE2-CB 3.58Å; Y187-C231 HydrophobicContact CG-CB 4.16Å; Y187-C231 PolarHBondContact N-O 3.08Å; Y187-C231 PolarHBondContact O-N 3.24Å; Y187-L233 HydrophobicContact CE1-CB 4.04Å; Y187-V240 WeakPolarHBondContact OH-CG1 3.38Å |
| 188 | L | 94.2 | Very high | 78.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.5 | 173.7 | -67.4 | 171.1 | 0 | 0 | 0 | 111.8 | Y166 F173 H174 G175 P228 K229 L230 C254 P257 | Y166-L188 HydrophobicContact CD2-CB 4.12Å; Y166-L188 HydrophobicContact CG-CB 4.32Å; Y166-L188 PolarHBondContact N-O 3.04Å; F173-L188 HydrophobicContact CB-CD1 4.5Å; H174-L188 VanDerWaalsContact O-CD1 3.22Å; H174-L188 WeakPolarHBondContact O-CD1 3.49Å; G175-L188 PolarHBondContact O-N 2.86Å; L188-P228 HydrophobicContact CD2-CB 4.47Å; L188-K229 WeakPolarHBondContact CA-O 3.11Å; L188-L230 HydrophobicContact CD2-CD2 3.6Å; L188-L230 HydrophobicContact CD2-CG 4.09Å; L188-C254 HydrophobicContact CD2-CB 3.76Å; L188-P257 HydrophobicContact CG-CG 4.37Å |
| 189 | A | 92.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H162 R164 V165 Y187 K229 | H162-A189 HydrophobicContact CB-CB 3.9Å; H162-A189 WeakPolarHBondContact ND1-CB 3.44Å; R164-A189 CarbonylContact O-C 3.58Å; R164-A189 VanDerWaalsContact O-CA 3.32Å; R164-A189 WeakPolarHBondContact O-CA 3.32Å; V165-A189 HydrophobicContact CG2-CB 4.36Å; Y187-A189 HydrophobicContact CD2-CB 4.39Å; Y187-A189 HydrophobicContact CE2-CB 4.03Å; A189-K229 PolarHBondContact N-O 2.93Å; A189-K229 WeakPolarHBondContact O-CG 3.4Å; A189-K229 PolarHBondContact O-N 2.91Å |
| 190 | E | 90.3 | Very high | 72.3 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 145.9 | 176.5 | -166.3 | 55.9 | -147.9 | 0 | 0 | 111.2 | G163 R164 Y166 H226 K227 | G163-E190 PolarHBondContact N-O 3.34Å; R164-E190 HydrophobicContact CB-CB 4.39Å; R164-E190 PolarHBondContact O-N 2.94Å; Y166-E190 HydrophobicContact CE2-CB 4.3Å; Y166-E190 WeakPolarHBondContact CE2-OE2 3.02Å; Y166-E190 PolarHBondContact OH-OE2 3.43Å; E190-H226 VanDerWaalsContact OE1-CB 3.28Å; E190-H226 WeakPolarHBondContact OE1-CB 3.38Å; E190-H226 IonicContact OE1-CD2 3.29Å; E190-H226 IonicContact OE1-CG 2.75Å; E190-H226 PolarHBondContact OE1-N 3.43Å; E190-H226 PolarHBondContact OE2-N 3.34Å; E190-K227 PolarHBondContact OE1-N 2.89Å |
| 191 | V | 87.3 | Confident | 69.6 | Low | 39 Ų | 39 | 67.8 Ų | 67.8 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | trans | -63.3 | 138.2 | 166.8 | 173.1 | 0 | 0 | 0 | 0 | 109.4 | N193 K227 K229 | V191-N193 PolarHBondContact O-N 2.92Å; V191-K227 HydrophobicContact CB-CB 4.39Å; V191-K227 HydrophobicContact CB-CG 4.5Å; V191-K227 HydrophobicContact CG2-CB 4.15Å; V191-K227 HydrophobicContact CG2-CD 3.97Å; V191-K227 HydrophobicContact CG2-CG 3.78Å; V191-K227 WeakPolarHBondContact CG2-O 3.43Å; V191-K227 PolarHBondContact N-O 2.92Å; V191-K229 HydrophobicContact CG2-CB 4.07Å; V191-K229 HydrophobicContact CG2-CD 4.04Å; V191-K229 HydrophobicContact CG2-CG 4.01Å | ||
| 192 | C | 78.5 | Confident | 66.5 | Low | 34 Ų | 34 | 71.7 Ų | 71.7 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | trans | -84 | 113.6 | 175.4 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | N194 | C192-N194 PolarHBondContact O-N 3.34Å; C192-N194 PolarHBondContact SG-O 3.01Å | ||
| 193 | N | 64.9 | Low | 63.5 | Low | 92 Ų | 92 | 78.9 Ų | 78.9 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -71.7 | -17.6 | 178.2 | -70.3 | -19.3 | 0 | 0 | 0 | 113.1 | V191 P195 Q215 | V191-N193 PolarHBondContact O-N 2.92Å; N193-P195 WeakPolarHBondContact O-CD 3.47Å; N193-Q215 PolarHBondContact ND2-OE1 3Å |
| 194 | N | 53.8 | Low | 60.6 | Low | 85 Ų | 85 | 80.5 Ų | 80.5 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | trans | -122.5 | 79.5 | 178 | -72.5 | -8.1 | 0 | 0 | 0 | 111.4 | C192 I196 | C192-N194 PolarHBondContact O-N 3.34Å; C192-N194 PolarHBondContact SG-O 3.01Å; N194-I196 PolarHBondContact O-N 2.52Å | ||
| 195 | P | 41 | Very low | 57.9 | Low | 88 Ų | 88 | 85.7 Ų | 85.7 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | trans | -69.3 | 97.2 | 166 | 27.6 | -29.4 | 0 | 0 | 0 | 108.2 | N193 E197 | N193-P195 WeakPolarHBondContact O-CD 3.47Å; P195-E197 PolarHBondContact O-N 3.17Å | ||
| 196 | I | 36.8 | Very low | 55.2 | Low | 109 Ų | 109 | 94.2 Ų | 94.2 | 56% | 0.559 | 49% | 0.491 | S | S | * | . | trans | -69.5 | 80 | 166.8 | -54.8 | 170.5 | 0 | 0 | 0 | 106.8 | N194 Y198 | N194-I196 PolarHBondContact O-N 2.52Å; I196-Y198 HydrophobicContact CG2-CD2 3.69Å; I196-Y198 HydrophobicContact CG2-CE2 3.53Å; I196-Y198 HydrophobicContact CG2-CG 4.4Å; I196-Y198 PolarHBondContact O-N 2.88Å | ||
| 197 | E | 30.5 | Very low | 52.7 | Low | 152 Ų | 152 | 101.6 Ų | 101.6 | 71% | 0.71 | 53% | 0.531 | S | S | * | . | trans | -78.5 | 101.2 | 161.4 | -75.6 | -170.1 | 167.4 | 0 | 0 | 107.2 | P195 T199 | P195-E197 PolarHBondContact O-N 3.17Å; E197-T199 PolarHBondContact O-N 2.91Å | ||
| 198 | Y | 28 | Very low | 50.6 | Low | 198 Ų | 198 | 108 Ų | 108 | 78% | 0.776 | 57% | 0.565 | S | S | * | * | trans | -65.7 | 74.9 | 162.6 | -79.4 | -80.3 | 0 | 0 | 0 | 109.2 | I196 T200 | I196-Y198 HydrophobicContact CG2-CD2 3.69Å; I196-Y198 HydrophobicContact CG2-CE2 3.53Å; I196-Y198 HydrophobicContact CG2-CG 4.4Å; I196-Y198 PolarHBondContact O-N 2.88Å; Y198-T200 PolarHBondContact O-N 2.81Å | ||
| 199 | T | 28.4 | Very low | 49 | Very low | 104 Ų | 104 | 112 Ų | 112 | 64% | 0.638 | 59% | 0.589 | S | S | * | * | trans | -88.7 | 96.7 | 159.4 | 39.2 | 0 | 0 | 0 | 0 | 107.5 | E197 | E197-T199 PolarHBondContact O-N 2.91Š| ||
| 200 | T | 31.6 | Very low | 48.3 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 78% | 0.779 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 13.4 | 112.2 | 158.9 | 54.7 | 0 | 0 | 0 | 0 | 118.2 | Y198 D202 | Y198-T200 PolarHBondContact O-N 2.81Å; T200-D202 PolarHBondContact O-N 2.82Å |
| 201 | N | 36.6 | Very low | 47.7 | Very low | 166 Ų | 166 | 119.5 Ų | 119.5 | 89% | 0.888 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 11.4 | 146.9 | -79.6 | -0.8 | 0 | 0 | 0 | 123 | ||
| 202 | D | 30.9 | Very low | 47.5 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | -102.9 | 97.7 | 164.2 | -92.3 | -31.5 | 0 | 0 | 0 | 112.1 | T200 S204 | T200-D202 PolarHBondContact O-N 2.82Å; D202-S204 PolarHBondContact O-N 3.14Å | ||
| 203 | Q | 29.8 | Very low | 47.9 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 93% | 0.925 | 69% | 0.685 | S | S | * | * | trans | -69.8 | 47.4 | 167.4 | -68.9 | -173.3 | -14.5 | 0 | 0 | 112.2 | ||||
| 204 | S | 34 | Very low | 48.8 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | trans | -84.2 | 116.9 | 155.5 | 56.9 | 0 | 0 | 0 | 0 | 106.1 | D202 K206 | D202-S204 PolarHBondContact O-N 3.14Å; S204-K206 PolarHBondContact O-N 2.92Å | ||
| 205 | L | 39.4 | Very low | 50.2 | Low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | trans | -56.6 | 88.2 | 162.7 | -77.2 | 105.6 | 0 | 0 | 0 | 106.5 | D207 | L205-D207 PolarHBondContact O-N 3.38Å; L205-D207 VanDerWaalsContact O-N 3.08Å | ||
| 206 | K | 39.9 | Very low | 52.4 | Low | 180 Ų | 180 | 131.5 Ų | 131.5 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -62.7 | 113.4 | 167.5 | -83.3 | -174.8 | 175.4 | 176.5 | 0 | 105 | S204 D208 | S204-K206 PolarHBondContact O-N 2.92Å; K206-D208 PolarHBondContact O-N 3.25Å | ||
| 207 | D | 43.8 | Very low | 54.9 | Low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 66% | 0.659 | S | S | * | * | trans | -27.4 | 101.5 | -176.1 | -73.7 | -47.1 | 0 | 0 | 0 | 111.7 | L205 T209 | L205-D207 PolarHBondContact O-N 3.38Å; L205-D207 VanDerWaalsContact O-N 3.08Å; D207-T209 VanDerWaalsContact C-N 3.31Å; D207-T209 PolarHBondContact O-N 3.16Å | ||
| 208 | D | 51.2 | Low | 57.7 | Low | 135 Ų | 135 | 120.1 Ų | 120.1 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | trans | -54.9 | 106.2 | 161.7 | -95.3 | -29.8 | 0 | 0 | 0 | 104.9 | K206 S210 | K206-D208 PolarHBondContact O-N 3.25Å; D208-S210 PolarHBondContact O-N 3.16Å | ||
| 209 | T | 60.2 | Low | 60.4 | Low | 84 Ų | 84 | 110.8 Ų | 110.8 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | trans | -51.8 | 113.9 | 170.7 | 49.1 | 0 | 0 | 0 | 0 | 106.3 | D207 S211 | D207-T209 VanDerWaalsContact C-N 3.31Å; D207-T209 PolarHBondContact O-N 3.16Å; T209-S211 PolarHBondContact O-N 3.03Å | ||
| 210 | S | 78.4 | Confident | 62.9 | Low | 58 Ų | 58 | 106.2 Ų | 106.2 | 41% | 0.406 | 56% | 0.561 | S | S | . | * | trans | -52.4 | 135 | -172.1 | 164.4 | 0 | 0 | 0 | 0 | 109.3 | D208 F212 V213 | D208-S210 PolarHBondContact O-N 3.16Å; S210-F212 PolarHBondContact O-N 3.48Å; S210-F212 WeakPolarHBondContact OG-CB 3.12Å; S210-F212 WeakPolarHBondContact OG-CD2 3.36Å; S210-F212 PolarHBondContact OG-N 2.81Å; S210-V213 WeakPolarHBondContact O-CB 3.37Å; S210-V213 WeakPolarHBondContact O-CG2 3.39Å; S210-V213 PolarHBondContact O-N 2.71Å | ||
| 211 | S | 76.7 | Confident | 65 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 81% | 0.811 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -9.7 | 174 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | T209 | T209-S211 PolarHBondContact O-N 3.03Š|
| 212 | F | 84.1 | Confident | 67.2 | Low | 187 Ų | 187 | 94.2 Ų | 94.2 | 82% | 0.82 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.5 | 173.7 | -57.5 | -70.6 | 0 | 0 | 0 | 113.9 | S210 F214 | S210-F212 PolarHBondContact O-N 3.48Å; S210-F212 WeakPolarHBondContact OG-CB 3.12Å; S210-F212 WeakPolarHBondContact OG-CD2 3.36Å; S210-F212 PolarHBondContact OG-N 2.81Å; F212-F214 PolarHBondContact O-N 2.58Å |
| 213 | V | 85.4 | Confident | 69.4 | Low | 84 Ų | 84 | 90.3 Ų | 90.3 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -67.3 | 117.6 | 172.5 | 176.2 | 0 | 0 | 0 | 0 | 108 | S210 Q215 | S210-V213 WeakPolarHBondContact O-CB 3.37Å; S210-V213 WeakPolarHBondContact O-CG2 3.39Å; S210-V213 PolarHBondContact O-N 2.71Å; V213-Q215 PolarHBondContact O-N 3.35Å |
| 214 | F | 84.5 | Confident | 71.9 | Confident | 149 Ų | 149 | 82.2 Ų | 82.2 | 65% | 0.654 | 45% | 0.448 | S | S | * | . | trans | -68.5 | 131.1 | 176.1 | -179.8 | -112.9 | 0 | 0 | 0 | 110.2 | F212 E216 | F212-F214 PolarHBondContact O-N 2.58Å; F214-E216 VanDerWaalsContact CE1-CD 3.4Å; F214-E216 HydrophobicContact CE1-CG 4.11Å; F214-E216 WeakPolarHBondContact CE1-OE1 3.42Å | ||
| 215 | Q | 83.4 | Confident | 74.5 | Confident | 77 Ų | 77 | 78.7 Ų | 78.7 | 36% | 0.36 | 42% | 0.423 | S | S | . | . | trans | -118.9 | 119.9 | 177.5 | -66.1 | -177.3 | -0.5 | 0 | 0 | 108.4 | N193 V213 D217 H226 | N193-Q215 PolarHBondContact ND2-OE1 3Å; V213-Q215 PolarHBondContact O-N 3.35Å; Q215-D217 PolarHBondContact O-N 3.46Å; Q215-H226 PolarHBondContact O-CE1 2.82Å | ||
| 216 | E | 86.7 | Confident | 76.8 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | trans | -63.4 | 124.1 | 176 | -68 | -70.3 | -174.3 | 0 | 0 | 109.8 | F214 H226 | F214-E216 VanDerWaalsContact CE1-CD 3.4Å; F214-E216 HydrophobicContact CE1-CG 4.11Å; F214-E216 WeakPolarHBondContact CE1-OE1 3.42Å; E216-H226 PolarHBondContact O-ND1 2.82Å | ||
| 217 | D | 89.1 | Confident | 79.3 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 9% | 0.086 | 36% | 0.361 | C | S | . | . | trans | -100.7 | -179 | 170.4 | 65.2 | 38.2 | 0 | 0 | 0 | 110.1 | Q215 G219 G224 S225 R744 | Q215-D217 PolarHBondContact O-N 3.46Å; D217-G219 PolarHBondContact O-N 3.08Å; D217-G219 WeakPolarHBondContact OD1-CA 2.92Å; D217-G219 PolarHBondContact OD1-N 3.24Å; D217-G224 PolarHBondContact OD2-N 2.88Å; D217-G224 VanDerWaalsContact OD2-N 3.15Å; D217-S225 CarbonylContact C-O 3.4Å; D217-S225 WeakPolarHBondContact CA-O 3.29Å; D217-S225 WeakPolarHBondContact CB-O 3.32Å; D217-R744 IonicContact OD1-CZ 3.16Å; D217-R744 IonicContact OD1-NH1 3.78Å; D217-R744 PolarHBondContact OD1-NH1 2.73Å; D217-R744 IonicContact OD2-CZ 2.97Å; D217-R744 IonicContact OD2-NH1 2.88Å; D217-R744 PolarHBondContact OD2-NH1 3.04Å; D217-R744 IonicContact OD2-NH2 3.36Å | ||
| 218 | W | 88.8 | Confident | 81.6 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | trans | -78.8 | -0.9 | -179.5 | -76.4 | 87.3 | 0 | 0 | 0 | 114.9 | F173 N222 S225 H226 A253 Y271 L273 N277 G279 L280 | F173-W218 HydrophobicContact CE2-CB 3.99Å; F173-W218 AromaticContact CE2-CD1 3.43Å; F173-W218 VanDerWaalsContact CE2-CD1 3.43Å; F173-W218 AromaticContact CE2-CD2 3.66Å; F173-W218 HydrophobicContact CE2-CD2 3.66Å; F173-W218 AromaticContact CE2-CE2 3.87Å; F173-W218 HydrophobicContact CE2-CE3 4.4Å; F173-W218 AromaticContact CE2-CG 3.42Å; F173-W218 HydrophobicContact CE2-CG 3.42Å; F173-W218 VanDerWaalsContact CE2-CG 3.42Å; F173-W218 AromaticContact CE2-NE1 3.72Å; F173-W218 AromaticContact CZ-CD1 3.77Å; F173-W218 AromaticContact CZ-CD2 3.42Å; F173-W218 HydrophobicContact CZ-CD2 3.42Å; F173-W218 VanDerWaalsContact CZ-CD2 3.42Å; F173-W218 AromaticContact CZ-CE2 3.34Å; F173-W218 AromaticContact CZ-CE3 3.95Å; F173-W218 HydrophobicContact CZ-CE3 3.95Å; F173-W218 AromaticContact CZ-CG 3.74Å; F173-W218 HydrophobicContact CZ-CG 3.74Å; F173-W218 HydrophobicContact CZ-CH2 4.29Å; F173-W218 AromaticContact CZ-CZ2 3.8Å; F173-W218 HydrophobicContact CZ-CZ2 3.8Å; F173-W218 HydrophobicContact CZ-CZ3 4.36Å; F173-W218 AromaticContact CZ-NE1 3.57Å; W218-N222 HydrophobicContact CB-CB 3.9Å; W218-S225 VanDerWaalsContact CD1-O 3.24Å; W218-S225 PolarHBondContact N-O 3.15Å; W218-S225 VanDerWaalsContact N-O 3.11Å; W218-H226 PolarHBondContact NE1-O 3.27Å; W218-A253 HydrophobicContact CH2-CB 4.36Å; W218-A253 HydrophobicContact CZ2-CB 3.45Å; W218-A253 VanDerWaalsContact CZ2-CB 3.45Å; W218-Y271 HydrophobicContact CH2-CG 4.29Å; W218-L273 HydrophobicContact CH2-CD2 4.45Å; W218-L273 HydrophobicContact CZ2-CD2 3.55Å; W218-N277 HydrophobicContact CD2-CB 3.63Å; W218-N277 HydrophobicContact CE3-CB 3.63Å; W218-N277 HydrophobicContact CG-CB 4.14Å; W218-N277 HydrophobicContact CH2-CB 4.26Å; W218-N277 HydrophobicContact CZ2-CB 4.27Å; W218-N277 HydrophobicContact CZ3-CB 3.95Å; W218-G279 WeakPolarHBondContact O-CA 3.39Å; W218-L280 HydrophobicContact CD2-CD1 4.37Å; W218-L280 HydrophobicContact CE3-CD1 3.51Å; W218-L280 HydrophobicContact CE3-CG 3.86Å; W218-L280 HydrophobicContact CH2-CD1 3.92Å; W218-L280 HydrophobicContact CZ3-CD1 3.25Å; W218-L280 HydrophobicContact CZ3-CG 3.69Å | ||
| 219 | G | 86.2 | Confident | 83.6 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | 58.1 | -160.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D217 G221 N222 | D217-G219 PolarHBondContact O-N 3.08Å; D217-G219 WeakPolarHBondContact OD1-CA 2.92Å; D217-G219 PolarHBondContact OD1-N 3.24Å; G219-G221 VanDerWaalsContact C-N 3.32Å; G219-G221 PolarHBondContact O-N 3.02Å; G219-G221 VanDerWaalsContact O-N 3.11Å; G219-N222 WeakPolarHBondContact O-CA 3.48Å; G219-N222 VanDerWaalsContact O-CB 3.3Å; G219-N222 WeakPolarHBondContact O-CB 3.33Å; G219-N222 PolarHBondContact O-N 3.21Å | ||
| 220 | E | 80.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 49.7 Ų | 49.7 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.6 | 167.6 | -151.5 | 176.7 | -163.1 | 0 | 0 | 117 | N222 G279 L280 I281 Y282 D687 R745 | E220-N222 VanDerWaalsContact C-N 3.29Å; E220-G279 WeakPolarHBondContact OE2-CA 3.14Å; E220-L280 PolarHBondContact OE2-N 3.13Å; E220-I281 HydrophobicContact CB-CG1 4.5Å; E220-I281 HydrophobicContact CG-CB 3.81Å; E220-I281 HydrophobicContact CG-CG1 4.21Å; E220-I281 WeakPolarHBondContact O-CD1 3.41Å; E220-I281 WeakPolarHBondContact O-CG1 3.43Å; E220-I281 PolarHBondContact OE1-N 3.43Å; E220-I281 PolarHBondContact OE2-N 3.34Å; E220-Y282 HydrophobicContact CG-CD2 3.63Å; E220-Y282 HydrophobicContact CG-CE2 3.81Å; E220-Y282 WeakPolarHBondContact OE1-CA 3.46Å; E220-Y282 WeakPolarHBondContact OE1-CB 3.39Å; E220-Y282 WeakPolarHBondContact OE1-CD2 3.35Å; E220-Y282 PolarHBondContact OE1-N 3.36Å; E220-D687 WeakPolarHBondContact CA-OD2 2.91Å; E220-D687 PolarHBondContact N-OD2 3.01Å; E220-R745 VanDerWaalsContact CB-NH2 3.35Å; E220-R745 VanDerWaalsContact CD-NH1 3.3Å; E220-R745 IonicContact OE1-CZ 3.29Å; E220-R745 IonicContact OE1-NH1 2.75Å; E220-R745 PolarHBondContact OE1-NH1 2.9Å; E220-R745 IonicContact OE1-NH2 3.79Å; E220-R745 PolarHBondContact OE1-NH2 2.96Å; E220-R745 IonicContact OE2-CZ 4Å; E220-R745 IonicContact OE2-NH1 3.9Å; E220-R745 IonicContact OE2-NH2 2.63Å; E220-R745 PolarHBondContact OE2-NH2 2.86Å |
| 221 | G | 76.2 | Confident | 86.1 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 0.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G219 E223 | G219-G221 VanDerWaalsContact C-N 3.32Å; G219-G221 PolarHBondContact O-N 3.02Å; G219-G221 VanDerWaalsContact O-N 3.11Å; G221-E223 WeakPolarHBondContact CA-OE2 3.36Å |
| 222 | N | 82.4 | Confident | 87 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -95.9 | 27.7 | 168.1 | -63.5 | -67.7 | 0 | 0 | 0 | 111.8 | T172 W218 G219 E220 G224 S225 | T172-N222 PolarHBondContact OG1-ND2 2.94Å; W218-N222 HydrophobicContact CB-CB 3.9Å; G219-N222 WeakPolarHBondContact O-CA 3.48Å; G219-N222 VanDerWaalsContact O-CB 3.3Å; G219-N222 WeakPolarHBondContact O-CB 3.33Å; G219-N222 PolarHBondContact O-N 3.21Å; E220-N222 VanDerWaalsContact C-N 3.29Å; N222-G224 PolarHBondContact O-N 2.69Å; N222-S225 WeakPolarHBondContact O-CB 3.47Å; N222-S225 PolarHBondContact O-N 3.03Å; N222-S225 PolarHBondContact O-OG 3.35Å | ||
| 223 | E | 77.4 | Confident | 87.5 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 31% | 0.308 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 137.7 | -174.7 | -59.9 | 88.6 | 167.9 | 0 | 0 | 112.3 | R164 G221 S225 | R164-E223 PolarHBondContact NH1-O 3.29Å; G221-E223 WeakPolarHBondContact CA-OE2 3.36Å; E223-S225 PolarHBondContact O-N 3.19Å |
| 224 | G | 81.3 | Confident | 88 | Confident | 28 Ų | 28 | 30.1 Ų | 30.1 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 8.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R164 D217 N222 H226 | R164-G224 PolarHBondContact NH1-O 2.89Å; R164-G224 PolarHBondContact NH2-O 2.79Å; D217-G224 PolarHBondContact OD2-N 2.88Å; D217-G224 VanDerWaalsContact OD2-N 3.15Å; N222-G224 PolarHBondContact O-N 2.69Å; G224-H226 PolarHBondContact O-CD2 3.14Å |
| 225 | S | 88.3 | Confident | 88.5 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.028 | 13% | 0.133 | C | C | . | . | trans | -87.1 | 126.6 | 163.2 | -47.1 | 0 | 0 | 0 | 0 | 107.6 | R164 Y166 D217 W218 N222 E223 | R164-S225 PolarHBondContact NH2-OG 3.06Å; Y166-S225 WeakPolarHBondContact CE1-OG 3.4Å; Y166-S225 VanDerWaalsContact OH-CA 3.32Å; Y166-S225 WeakPolarHBondContact OH-CA 3.48Å; Y166-S225 VanDerWaalsContact OH-CB 3.23Å; Y166-S225 WeakPolarHBondContact OH-CB 3.45Å; D217-S225 CarbonylContact C-O 3.4Å; D217-S225 WeakPolarHBondContact CA-O 3.29Å; D217-S225 WeakPolarHBondContact CB-O 3.32Å; W218-S225 VanDerWaalsContact CD1-O 3.24Å; W218-S225 PolarHBondContact N-O 3.15Å; W218-S225 VanDerWaalsContact N-O 3.11Å; N222-S225 WeakPolarHBondContact O-CB 3.47Å; N222-S225 PolarHBondContact O-N 3.03Å; N222-S225 PolarHBondContact O-OG 3.35Å; E223-S225 PolarHBondContact O-N 3.19Å | ||
| 226 | H | 88.9 | Confident | 89 | Confident | 41 Ų | 41 | 26.3 Ų | 26.3 | 19% | 0.19 | 15% | 0.15 | C | C | . | . | trans | -124.5 | -57.8 | -179.9 | -51.1 | -87.3 | 0 | 0 | 0 | 110.6 | E190 Q215 E216 W218 G224 | E190-H226 VanDerWaalsContact OE1-CB 3.28Å; E190-H226 WeakPolarHBondContact OE1-CB 3.38Å; E190-H226 IonicContact OE1-CD2 3.29Å; E190-H226 IonicContact OE1-CG 2.75Å; E190-H226 PolarHBondContact OE1-N 3.43Å; E190-H226 PolarHBondContact OE2-N 3.34Å; Q215-H226 PolarHBondContact O-CE1 2.82Å; E216-H226 PolarHBondContact O-ND1 2.82Å; W218-H226 PolarHBondContact NE1-O 3.27Å; G224-H226 PolarHBondContact O-CD2 3.14Å | ||
| 227 | K | 91.5 | Very high | 89.3 | Confident | 34 Ų | 34 | 25.7 Ų | 25.7 | 15% | 0.148 | 15% | 0.153 | C | C | . | . | trans | -141.5 | 87 | -177.1 | -170.7 | 166.9 | -173.2 | 170.3 | 0 | 110.9 | E190 V191 E247 N251 L252 L273 | E190-K227 PolarHBondContact OE1-N 2.89Å; V191-K227 HydrophobicContact CB-CB 4.39Å; V191-K227 HydrophobicContact CB-CG 4.5Å; V191-K227 HydrophobicContact CG2-CB 4.15Å; V191-K227 HydrophobicContact CG2-CD 3.97Å; V191-K227 HydrophobicContact CG2-CG 3.78Å; V191-K227 WeakPolarHBondContact CG2-O 3.43Å; V191-K227 PolarHBondContact N-O 2.92Å; K227-E247 WeakPolarHBondContact CE-OE1 3.46Å; K227-E247 IonicContact NZ-OE1 3.5Å; K227-E247 PolarHBondContact NZ-OE1 2.93Å; K227-E247 IonicContact NZ-OE2 3.75Å; K227-E247 PolarHBondContact NZ-OE2 3.3Å; K227-N251 PolarHBondContact NZ-OD1 2.93Å; K227-L252 WeakPolarHBondContact CE-O 3.31Å; K227-L273 HydrophobicContact CB-CD1 4.11Å; K227-L273 HydrophobicContact CD-CD1 3.54Å; K227-L273 HydrophobicContact CG-CD1 3.71Å | ||
| 228 | P | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 133.4 | 168.7 | 1.7 | 4.3 | 0 | 0 | 0 | 110.9 | Y166 F173 L188 A253 C254 | Y166-P228 HydrophobicContact CD2-CB 4.25Å; Y166-P228 HydrophobicContact CE1-CG 4.38Å; Y166-P228 HydrophobicContact CE2-CB 3.69Å; Y166-P228 HydrophobicContact CE2-CG 4.22Å; F173-P228 HydrophobicContact CB-CB 4.39Å; F173-P228 HydrophobicContact CB-CG 3.97Å; F173-P228 HydrophobicContact CD1-CB 4.22Å; F173-P228 HydrophobicContact CD1-CG 3.29Å; F173-P228 HydrophobicContact CD2-CG 3.86Å; F173-P228 HydrophobicContact CE1-CG 3.67Å; F173-P228 HydrophobicContact CE2-CG 4.19Å; F173-P228 HydrophobicContact CG-CB 4.3Å; F173-P228 HydrophobicContact CG-CG 3.4Å; F173-P228 HydrophobicContact CZ-CG 4.1Å; L188-P228 HydrophobicContact CD2-CB 4.47Å; P228-A253 HydrophobicContact CG-CB 4.21Å; P228-C254 WeakPolarHBondContact CB-O 3.41Å; P228-C254 PolarHBondContact O-N 2.7Å |
| 229 | K | 92.6 | Very high | 89.6 | Confident | 33 Ų | 33 | 33 Ų | 33 | 14% | 0.143 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 155.4 | 172.7 | 61.9 | 161.1 | -180 | 177.2 | 0 | 111.6 | R161 L188 A189 V191 F242 | R161-K229 PolarHBondContact O-NZ 3.43Å; L188-K229 WeakPolarHBondContact CA-O 3.11Å; A189-K229 PolarHBondContact N-O 2.93Å; A189-K229 WeakPolarHBondContact O-CG 3.4Å; A189-K229 PolarHBondContact O-N 2.91Å; V191-K229 HydrophobicContact CG2-CB 4.07Å; V191-K229 HydrophobicContact CG2-CD 4.04Å; V191-K229 HydrophobicContact CG2-CG 4.01Å; K229-F242 HydrophobicContact CD-CD1 4.07Å; K229-F242 VanDerWaalsContact NZ-CD1 3.27Å |
| 230 | L | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 132.5 | 177.1 | -72.9 | 168.2 | 0 | 0 | 0 | 112.2 | V186 L188 F242 A243 C254 P257 I266 F268 W293 | V186-L230 HydrophobicContact CG2-CD2 4.12Å; L188-L230 HydrophobicContact CD2-CD2 3.6Å; L188-L230 HydrophobicContact CD2-CG 4.09Å; L230-F242 WeakPolarHBondContact O-CA 3.43Å; L230-A243 HydrophobicContact CB-CB 3.74Å; L230-A243 HydrophobicContact CD1-CB 4.34Å; L230-A243 PolarHBondContact O-N 3.21Å; L230-A243 VanDerWaalsContact O-N 3.13Å; L230-C254 HydrophobicContact CD1-CB 4.29Å; L230-C254 HydrophobicContact CD2-CB 4.46Å; L230-C254 HydrophobicContact CG-CB 3.81Å; L230-P257 HydrophobicContact CD2-CB 3.58Å; L230-P257 HydrophobicContact CD2-CG 4.04Å; L230-I266 HydrophobicContact CD1-CG2 4.36Å; L230-F268 HydrophobicContact CD1-CB 3.83Å; L230-F268 HydrophobicContact CD1-CD1 3.31Å; L230-F268 HydrophobicContact CD1-CD2 3.83Å; L230-F268 HydrophobicContact CD1-CE1 3.65Å; L230-F268 HydrophobicContact CD1-CE2 4.14Å; L230-F268 HydrophobicContact CD1-CG 3.39Å; L230-F268 HydrophobicContact CD1-CZ 4.04Å; L230-W293 HydrophobicContact CB-CE3 4.44Å; L230-W293 HydrophobicContact CB-CZ3 4.27Å |
| 231 | C | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.3 | 176.6 | -55 | 0 | 0 | 0 | 0 | 109.1 | V186 Y187 V240 S241 F242 | V186-C231 CarbonylContact C-O 3.57Å; V186-C231 WeakPolarHBondContact CA-O 3.43Å; Y187-C231 HydrophobicContact CD1-CB 3.93Å; Y187-C231 HydrophobicContact CD2-CB 3.99Å; Y187-C231 HydrophobicContact CE1-CB 3.49Å; Y187-C231 VanDerWaalsContact CE1-CB 3.49Å; Y187-C231 HydrophobicContact CE2-CB 3.58Å; Y187-C231 HydrophobicContact CG-CB 4.16Å; Y187-C231 PolarHBondContact N-O 3.08Å; Y187-C231 PolarHBondContact O-N 3.24Å; C231-V240 HydrophobicContact CB-CG1 3.96Å; C231-S241 CarbonylContact C-O 3.23Å; C231-S241 WeakPolarHBondContact CA-O 3.33Å; C231-F242 HydrophobicContact CB-CD1 4.41Å; C231-F242 HydrophobicContact CB-CE1 4.42Å |
| 232 | I | 96.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.6 | 168.4 | -64.8 | 175.6 | 0 | 0 | 0 | 107.1 | K184 I185 V186 V240 S241 W259 I266 W293 I295 | K184-I232 HydrophobicContact CB-CG2 4.02Å; K184-I232 HydrophobicContact CD-CG2 3.92Å; K184-I232 HydrophobicContact CG-CG2 4.36Å; I185-I232 CarbonylContact O-C 3.59Å; I185-I232 WeakPolarHBondContact O-CA 3.2Å; V186-I232 HydrophobicContact CG2-CG1 4.34Å; I232-V240 CarbonylContact O-C 3.47Å; I232-V240 VanDerWaalsContact O-CA 3.29Å; I232-V240 WeakPolarHBondContact O-CA 3.39Å; I232-S241 PolarHBondContact N-O 2.92Å; I232-S241 PolarHBondContact O-N 2.8Å; I232-W259 HydrophobicContact CD1-CH2 3.93Å; I232-W259 HydrophobicContact CD1-CZ3 4.47Å; I232-W259 HydrophobicContact CG1-CH2 4.3Å; I232-W259 HydrophobicContact CG2-CH2 3.97Å; I232-W259 HydrophobicContact CG2-CZ2 4.31Å; I232-I266 HydrophobicContact CD1-CD1 4.32Å; I232-I266 HydrophobicContact CD1-CG1 3.96Å; I232-W293 HydrophobicContact CB-CH2 4.44Å; I232-W293 HydrophobicContact CD1-CE3 4.15Å; I232-W293 HydrophobicContact CD1-CH2 3.45Å; I232-W293 VanDerWaalsContact CD1-CH2 3.45Å; I232-W293 HydrophobicContact CD1-CZ2 4.17Å; I232-W293 HydrophobicContact CD1-CZ3 3.44Å; I232-W293 VanDerWaalsContact CD1-CZ3 3.44Å; I232-W293 HydrophobicContact CG1-CH2 3.77Å; I232-W293 HydrophobicContact CG1-CZ3 3.64Å; I232-I295 HydrophobicContact CD1-CD1 3.66Å; I232-I295 HydrophobicContact CD1-CG1 4.07Å |
| 233 | L | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.7 | 165.8 | 171.6 | 62.7 | 0 | 0 | 0 | 108.9 | I140 I152 L154 K184 I185 Y187 L235 V240 | I140-L233 HydrophobicContact CB-CD2 4.25Å; I140-L233 HydrophobicContact CD1-CD2 3.54Å; I140-L233 HydrophobicContact CG1-CD2 4.47Å; I140-L233 HydrophobicContact CG2-CD2 4.34Å; I152-L233 HydrophobicContact CB-CD2 4.48Å; I152-L233 HydrophobicContact CD1-CD1 4.5Å; I152-L233 HydrophobicContact CD1-CD2 4Å; I152-L233 HydrophobicContact CG2-CD1 4.08Å; I152-L233 HydrophobicContact CG2-CD2 4.31Å; L154-L233 HydrophobicContact CD2-CD2 4.42Å; K184-L233 CarbonylContact C-O 3.56Å; K184-L233 WeakPolarHBondContact CA-O 3.5Å; I185-L233 PolarHBondContact N-O 3.08Å; I185-L233 PolarHBondContact O-N 3.35Å; Y187-L233 HydrophobicContact CE1-CB 4.04Å; L233-L235 HydrophobicContact CD2-CD2 3.8Å; L233-L235 HydrophobicContact CG-CD2 4.03Å; L233-V240 HydrophobicContact CD1-CG2 4.07Å |
| 234 | D | 95.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.7 | 166.3 | -171.5 | -54.9 | 0 | 0 | 0 | 109.5 | K184 T236 T237 E238 T239 | K184-D234 VanDerWaalsContact CE-OD2 3.31Å; K184-D234 WeakPolarHBondContact CE-OD2 3.46Å; K184-D234 HydrophobicContact CG-CB 4.46Å; D234-T236 VanDerWaalsContact C-N 3.32Å; D234-T236 WeakPolarHBondContact OD1-CA 3.28Å; D234-T236 VanDerWaalsContact OD1-CB 3.3Å; D234-T236 WeakPolarHBondContact OD1-CB 3.33Å; D234-T236 PolarHBondContact OD1-N 2.99Å; D234-T237 WeakPolarHBondContact CB-OG1 3.43Å; D234-T237 PolarHBondContact OD1-N 2.78Å; D234-T237 PolarHBondContact OD1-OG1 2.99Å; D234-E238 WeakPolarHBondContact O-CA 3.5Å; D234-E238 PolarHBondContact O-N 3.23Å; D234-T239 PolarHBondContact N-O 2.96Å; D234-T239 PolarHBondContact O-N 3.29Å |
| 235 | L | 94.2 | Very high | 93.1 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -17.6 | -176 | -60.4 | 179.2 | 0 | 0 | 0 | 113.2 | V142 I152 W178 D183 I185 L233 | V142-L235 HydrophobicContact CG2-CD1 4.44Å; V142-L235 HydrophobicContact CG2-CD2 3.91Å; I152-L235 HydrophobicContact CD1-CD2 3.6Å; W178-L235 HydrophobicContact CE3-CD1 4.42Å; W178-L235 HydrophobicContact CH2-CD1 3.82Å; W178-L235 HydrophobicContact CZ3-CD1 3.38Å; D183-L235 VanDerWaalsContact O-CB 3.29Å; D183-L235 WeakPolarHBondContact O-CB 3.26Å; D183-L235 WeakPolarHBondContact O-CG 3.39Å; D183-L235 PolarHBondContact O-N 2.82Å; I185-L235 HydrophobicContact CD1-CD1 4.39Å; I185-L235 HydrophobicContact CD1-CD2 4.11Å; I185-L235 HydrophobicContact CG1-CD1 4.48Å; L233-L235 HydrophobicContact CD2-CD2 3.8Å; L233-L235 HydrophobicContact CG-CD2 4.03Å |
| 236 | T | 93.5 | Very high | 93 | Very high | 117 Ų | 117 | 39 Ų | 39 | 72% | 0.718 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -44.5 | 179.9 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | D234 | D234-T236 VanDerWaalsContact C-N 3.32Å; D234-T236 WeakPolarHBondContact OD1-CA 3.28Å; D234-T236 VanDerWaalsContact OD1-CB 3.3Å; D234-T236 WeakPolarHBondContact OD1-CB 3.33Å; D234-T236 PolarHBondContact OD1-N 2.99Å |
| 237 | T | 94 | Very high | 92.8 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -11.6 | 179.7 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | D234 T239 | D234-T237 WeakPolarHBondContact CB-OG1 3.43Å; D234-T237 PolarHBondContact OD1-N 2.78Å; D234-T237 PolarHBondContact OD1-OG1 2.99Å; T237-T239 PolarHBondContact O-N 2.82Å; T237-T239 PolarHBondContact OG1-N 3.34Å; T237-T239 PolarHBondContact OG1-OG1 2.9Å |
| 238 | E | 92.1 | Very high | 92.5 | Very high | 97 Ų | 97 | 46.9 Ų | 46.9 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | trans | 55.9 | 25.7 | -172.5 | -55.6 | -171.4 | 169.5 | 0 | 0 | 112.9 | N150 I152 D234 | N150-E238 PolarHBondContact ND2-OE1 2.8Å; I152-E238 HydrophobicContact CD1-CG 3.99Å; I152-E238 HydrophobicContact CG1-CG 4.02Å; I152-E238 HydrophobicContact CG2-CB 4.16Å; D234-E238 WeakPolarHBondContact O-CA 3.5Å; D234-E238 PolarHBondContact O-N 3.23Å | ||
| 239 | T | 92.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 53 Ų | 53 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -100.9 | 143.5 | 180 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | D234 T237 | D234-T239 PolarHBondContact N-O 2.96Å; D234-T239 PolarHBondContact O-N 3.29Å; T237-T239 PolarHBondContact O-N 2.82Å; T237-T239 PolarHBondContact OG1-N 3.34Å; T237-T239 PolarHBondContact OG1-OG1 2.9Å |
| 240 | V | 93.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.4 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | L154 P155 Y187 C231 I232 L233 F242 | L154-V240 HydrophobicContact CD2-CG2 3.99Å; P155-V240 HydrophobicContact CG-CB 4.3Å; P155-V240 HydrophobicContact CG-CG2 4.06Å; Y187-V240 WeakPolarHBondContact OH-CG1 3.38Å; C231-V240 HydrophobicContact CB-CG1 3.96Å; I232-V240 CarbonylContact O-C 3.47Å; I232-V240 VanDerWaalsContact O-CA 3.29Å; I232-V240 WeakPolarHBondContact O-CA 3.39Å; L233-V240 HydrophobicContact CD1-CG2 4.07Å; V240-F242 HydrophobicContact CB-CZ 4.21Å; V240-F242 HydrophobicContact CG1-CD1 4.39Å; V240-F242 HydrophobicContact CG1-CE1 3.66Å; V240-F242 HydrophobicContact CG1-CE2 4.38Å; V240-F242 HydrophobicContact CG1-CZ 3.63Å |
| 241 | S | 93.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 158.8 | 167.8 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | C231 I232 | C231-S241 CarbonylContact C-O 3.23Å; C231-S241 WeakPolarHBondContact CA-O 3.33Å; I232-S241 PolarHBondContact N-O 2.92Å; I232-S241 PolarHBondContact O-N 2.8Å |
| 242 | F | 93.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 56.9 Ų | 56.9 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.8 | -174.3 | -55.4 | -76 | 0 | 0 | 0 | 110.1 | R161 H162 K229 L230 C231 V240 W293 | R161-F242 HydrophobicContact CB-CE1 4.47Å; R161-F242 HydrophobicContact CB-CE2 3.68Å; R161-F242 HydrophobicContact CB-CZ 3.4Å; R161-F242 HydrophobicContact CG-CE2 4.42Å; H162-F242 HydrophobicContact CB-CE1 4.02Å; H162-F242 AromaticContact CD2-CE1 3.78Å; K229-F242 HydrophobicContact CD-CD1 4.07Å; K229-F242 VanDerWaalsContact NZ-CD1 3.27Å; L230-F242 WeakPolarHBondContact O-CA 3.43Å; C231-F242 HydrophobicContact CB-CD1 4.41Å; C231-F242 HydrophobicContact CB-CE1 4.42Å; V240-F242 HydrophobicContact CB-CZ 4.21Å; V240-F242 HydrophobicContact CG1-CD1 4.39Å; V240-F242 HydrophobicContact CG1-CE1 3.66Å; V240-F242 HydrophobicContact CG1-CE2 4.38Å; V240-F242 HydrophobicContact CG1-CZ 3.63Å; F242-W293 VanDerWaalsContact C-CH2 3.45Å; F242-W293 WeakPolarHBondContact O-CZ2 3.35Å |
| 243 | A | 93.1 | Very high | 91.5 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 12% | 0.116 | 31% | 0.305 | C | S | . | . | trans | -59.5 | 129.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L230 I245 W293 I300 | L230-A243 HydrophobicContact CB-CB 3.74Å; L230-A243 HydrophobicContact CD1-CB 4.34Å; L230-A243 PolarHBondContact O-N 3.21Å; L230-A243 VanDerWaalsContact O-N 3.13Å; A243-I245 HydrophobicContact CB-CD1 4.39Å; A243-I245 HydrophobicContact CB-CG1 4.16Å; A243-I245 PolarHBondContact O-N 2.82Å; A243-W293 HydrophobicContact CB-CD2 3.92Å; A243-W293 HydrophobicContact CB-CE3 3.65Å; A243-W293 HydrophobicContact CB-CH2 4.33Å; A243-W293 HydrophobicContact CB-CZ3 3.86Å; A243-I300 HydrophobicContact CB-CD1 3.97Å | ||
| 244 | P | 93.3 | Very high | 91.4 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -80.7 | 64 | -176.9 | 35.2 | -38.1 | 0 | 0 | 0 | 110.5 | D246 N298 I300 | P244-D246 PolarHBondContact O-N 2.79Å; P244-N298 VanDerWaalsContact CG-C 3.48Å; P244-N298 VanDerWaalsContact CG-O 3.22Å; P244-N298 WeakPolarHBondContact CG-O 3.17Å; P244-N298 WeakPolarHBondContact CG-OD1 3.18Å; P244-I300 HydrophobicContact CG-CD1 4.42Å; P244-I300 HydrophobicContact CG-CG1 4.27Å | ||
| 245 | I | 89.6 | Confident | 91.4 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | trans | -73.6 | 111.7 | 178.1 | -60.7 | 172.1 | 0 | 0 | 0 | 108.4 | A243 E247 Y250 C254 I300 | A243-I245 HydrophobicContact CB-CD1 4.39Å; A243-I245 HydrophobicContact CB-CG1 4.16Å; A243-I245 PolarHBondContact O-N 2.82Å; I245-E247 PolarHBondContact O-N 3.14Å; I245-E247 VanDerWaalsContact O-N 3.16Å; I245-Y250 WeakPolarHBondContact CG2-O 3.31Å; I245-C254 VanDerWaalsContact CD1-SG 3.54Å; I245-I300 HydrophobicContact CB-CD1 4.18Å; I245-I300 HydrophobicContact CD1-CD1 4.46Å; I245-I300 HydrophobicContact CG1-CD1 3.31Å | ||
| 246 | D | 86.7 | Confident | 91.3 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | trans | -72.7 | 102.2 | 168 | 176.6 | 6.9 | 0 | 0 | 0 | 108.7 | P244 N248 K249 Y250 | P244-D246 PolarHBondContact O-N 2.79Å; D246-N248 PolarHBondContact O-N 2.97Å; D246-N248 VanDerWaalsContact O-N 3.17Å; D246-N248 WeakPolarHBondContact OD1-CB 3.24Å; D246-N248 PolarHBondContact OD1-N 2.93Å; D246-N248 PolarHBondContact OD1-ND2 2.83Å; D246-N248 VanDerWaalsContact OD1-ND2 3.12Å; D246-K249 HydrophobicContact CB-CB 4.04Å; D246-K249 CarbonylContact O-C 3.44Å; D246-K249 WeakPolarHBondContact O-CA 3.22Å; D246-K249 PolarHBondContact O-N 2.89Å; D246-Y250 PolarHBondContact O-N 2.85Å | ||
| 247 | E | 85.7 | Confident | 91.4 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.9 | -177.2 | -62.2 | -64.3 | -174.6 | 0 | 0 | 113.8 | K227 I245 K249 N251 | K227-E247 WeakPolarHBondContact CE-OE1 3.46Å; K227-E247 IonicContact NZ-OE1 3.5Å; K227-E247 PolarHBondContact NZ-OE1 2.93Å; K227-E247 IonicContact NZ-OE2 3.75Å; K227-E247 PolarHBondContact NZ-OE2 3.3Å; I245-E247 PolarHBondContact O-N 3.14Å; I245-E247 VanDerWaalsContact O-N 3.16Å; E247-K249 VanDerWaalsContact C-N 3.26Å; E247-N251 WeakPolarHBondContact OE2-CA 3.44Å; E247-N251 PolarHBondContact OE2-OD1 2.82Å |
| 248 | N | 84.7 | Confident | 91.5 | Very high | 162 Ų | 162 | 48.1 Ų | 48.1 | 87% | 0.866 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -23.9 | 174.3 | -54.3 | -65.9 | 0 | 0 | 0 | 111.9 | D246 | D246-N248 PolarHBondContact O-N 2.97Å; D246-N248 VanDerWaalsContact O-N 3.17Å; D246-N248 WeakPolarHBondContact OD1-CB 3.24Å; D246-N248 PolarHBondContact OD1-N 2.93Å; D246-N248 PolarHBondContact OD1-ND2 2.83Å; D246-N248 VanDerWaalsContact OD1-ND2 3.12Å |
| 249 | K | 87.4 | Confident | 91.7 | Very high | 129 Ų | 129 | 44.3 Ų | 44.3 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -36.5 | -179.6 | -168 | -179.8 | -178.5 | -158.3 | 0 | 112.2 | D246 E247 | D246-K249 HydrophobicContact CB-CB 4.04Å; D246-K249 CarbonylContact O-C 3.44Å; D246-K249 WeakPolarHBondContact O-CA 3.22Å; D246-K249 PolarHBondContact O-N 2.89Å; E247-K249 VanDerWaalsContact C-N 3.26Å |
| 250 | Y | 85.1 | Confident | 92 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 15% | 0.145 | 21% | 0.211 | C | C | . | . | trans | -143.4 | 88.2 | -168.5 | -61.2 | -52.5 | 0 | 0 | 0 | 109.8 | I245 D246 L252 Y291 | I245-Y250 WeakPolarHBondContact CG2-O 3.31Å; D246-Y250 PolarHBondContact O-N 2.85Å; Y250-L252 HydrophobicContact CG-CD1 4.37Å; Y250-L252 PolarHBondContact O-N 2.9Å; Y250-Y291 HydrophobicContact CD1-CE1 4.06Å; Y250-Y291 HydrophobicContact CE1-CE1 4.04Å | ||
| 251 | N | 90.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 42.2 Ų | 42.2 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | trans | -82.9 | 90.9 | 169.8 | -172.7 | 23.4 | 0 | 0 | 0 | 109.3 | K227 E247 P272 L273 | K227-N251 PolarHBondContact NZ-OD1 2.93Å; E247-N251 WeakPolarHBondContact OE2-CA 3.44Å; E247-N251 PolarHBondContact OE2-OD1 2.82Å; N251-P272 WeakPolarHBondContact O-CA 3.38Å; N251-L273 WeakPolarHBondContact ND2-CB 3.48Å; N251-L273 PolarHBondContact O-N 2.8Å | ||
| 252 | L | 93.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 145.3 | -167.5 | -60.1 | 175.3 | 0 | 0 | 0 | 113.9 | K227 Y250 F268 Y271 P272 Y291 | K227-L252 WeakPolarHBondContact CE-O 3.31Å; Y250-L252 HydrophobicContact CG-CD1 4.37Å; Y250-L252 PolarHBondContact O-N 2.9Å; L252-F268 HydrophobicContact CD1-CE2 4.5Å; L252-Y271 CarbonylContact C-O 3.59Å; L252-Y271 WeakPolarHBondContact CA-O 3.31Å; L252-P272 HydrophobicContact CD2-CB 4.48Å; L252-P272 HydrophobicContact CD2-CG 4.22Å; L252-Y291 HydrophobicContact CD1-CD1 4.27Å; L252-Y291 HydrophobicContact CD1-CD2 4.07Å; L252-Y291 HydrophobicContact CD1-CE1 3.89Å; L252-Y291 HydrophobicContact CD1-CE2 3.66Å; L252-Y291 HydrophobicContact CD1-CG 4.36Å; L252-Y291 HydrophobicContact CD2-CE2 4.06Å |
| 253 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F173 W218 P228 Y271 L273 | F173-A253 HydrophobicContact CE1-CB 4.13Å; F173-A253 HydrophobicContact CZ-CB 4.42Å; W218-A253 HydrophobicContact CH2-CB 4.36Å; W218-A253 HydrophobicContact CZ2-CB 3.45Å; W218-A253 VanDerWaalsContact CZ2-CB 3.45Å; P228-A253 HydrophobicContact CG-CB 4.21Å; A253-Y271 PolarHBondContact N-O 3.1Å; A253-Y271 PolarHBondContact O-N 3.12Å; A253-L273 HydrophobicContact CB-CD2 4.01Å; A253-L273 HydrophobicContact CB-CG 4.36Å |
| 254 | C | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 142.7 | -178.6 | -61.3 | 0 | 0 | 0 | 0 | 112 | L188 P228 L230 I245 F268 V269 | L188-C254 HydrophobicContact CD2-CB 3.76Å; P228-C254 WeakPolarHBondContact CB-O 3.41Å; P228-C254 PolarHBondContact O-N 2.7Å; L230-C254 HydrophobicContact CD1-CB 4.29Å; L230-C254 HydrophobicContact CD2-CB 4.46Å; L230-C254 HydrophobicContact CG-CB 3.81Å; I245-C254 VanDerWaalsContact CD1-SG 3.54Å; C254-F268 HydrophobicContact CB-CD2 4.09Å; C254-F268 HydrophobicContact CB-CE2 4.4Å; C254-F268 VanDerWaalsContact SG-CE2 3.58Å; C254-V269 CarbonylContact C-O 3.46Å |
| 255 | S | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 164.7 | 172.2 | -159 | 0 | 0 | 0 | 0 | 111.7 | T172 V269 | T172-S255 PolarHBondContact O-OG 3.38Å; S255-V269 PolarHBondContact N-O 3.43Å; S255-V269 PolarHBondContact O-N 3.03Å |
| 256 | E | 93.8 | Very high | 93 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 52.6 | 173.2 | -52.3 | -170.9 | 176.5 | 0 | 0 | 114.8 | H174 L258 V269 C312 P313 R378 | H174-E256 IonicContact CE1-OE1 3.64Å; H174-E256 PolarHBondContact O-N 3.18Å; E256-L258 PolarHBondContact O-N 3.19Å; E256-V269 HydrophobicContact CB-CG2 4.04Å; E256-V269 HydrophobicContact CG-CG2 4.37Å; E256-C312 WeakPolarHBondContact OE2-CA 3.39Å; E256-C312 PolarHBondContact OE2-N 3.19Å; E256-P313 WeakPolarHBondContact OE2-CD 3.27Å; E256-R378 IonicContact OE1-CZ 3.34Å; E256-R378 IonicContact OE1-NH2 3.51Å; E256-R378 PolarHBondContact OE1-NH2 2.84Å |
| 257 | P | 95.5 | Very high | 93.5 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 135 | 174 | 22.9 | -32.6 | 0 | 0 | 0 | 113 | H174 V186 L188 L230 I266 I267 | H174-P257 WeakPolarHBondContact O-CD 3.49Å; V186-P257 HydrophobicContact CG1-CB 3.9Å; V186-P257 HydrophobicContact CG1-CG 4.33Å; V186-P257 HydrophobicContact CG2-CB 3.74Å; V186-P257 HydrophobicContact CG2-CG 4.4Å; L188-P257 HydrophobicContact CG-CG 4.37Å; L230-P257 HydrophobicContact CD2-CB 3.58Å; L230-P257 HydrophobicContact CD2-CG 4.04Å; P257-I266 HydrophobicContact CB-CG2 4.01Å; P257-I267 CarbonylContact C-O 3.57Å; P257-I267 WeakPolarHBondContact CA-O 3.48Å |
| 258 | L | 95.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 124.4 | 177.9 | -179.9 | 67 | 0 | 0 | 0 | 109.5 | E256 I266 I267 P313 F315 L322 | E256-L258 PolarHBondContact O-N 3.19Å; L258-I266 CarbonylContact O-C 3.59Å; L258-I266 WeakPolarHBondContact O-CA 3.29Å; L258-I267 HydrophobicContact CB-CB 4.41Å; L258-I267 PolarHBondContact N-O 2.85Å; L258-I267 PolarHBondContact O-N 2.75Å; L258-P313 HydrophobicContact CD2-CB 4.19Å; L258-P313 WeakPolarHBondContact CD2-O 3.12Å; L258-F315 HydrophobicContact CD2-CD2 3.51Å; L258-F315 HydrophobicContact CD2-CE2 3.75Å; L258-F315 HydrophobicContact CD2-CG 4.48Å; L258-F315 HydrophobicContact CG-CD2 3.97Å; L258-F315 HydrophobicContact CG-CE2 4.11Å; L258-L322 HydrophobicContact CD2-CD1 4.4Å |
| 259 | W | 96.8 | Very high | 94.6 | Very high | 17 Ų | 17 | 26 Ų | 26 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 138.9 | 173.4 | -75 | 96.3 | 0 | 0 | 0 | 111.3 | G177 W178 K184 V186 I232 D263 I266 I295 F315 | G177-W259 PolarHBondContact O-NE1 2.79Å; W178-W259 VanDerWaalsContact C-NE1 3.34Å; W178-W259 PolarHBondContact O-NE1 2.89Å; K184-W259 HydrophobicContact CB-CH2 3.76Å; K184-W259 HydrophobicContact CB-CZ2 3.84Å; K184-W259 HydrophobicContact CD-CH2 4.03Å; V186-W259 HydrophobicContact CB-CZ2 4.01Å; V186-W259 VanDerWaalsContact CG1-NE1 3.34Å; I232-W259 HydrophobicContact CD1-CH2 3.93Å; I232-W259 HydrophobicContact CD1-CZ3 4.47Å; I232-W259 HydrophobicContact CG1-CH2 4.3Å; I232-W259 HydrophobicContact CG2-CH2 3.97Å; I232-W259 HydrophobicContact CG2-CZ2 4.31Å; W259-D263 HydrophobicContact CE3-CB 4.36Å; W259-I266 HydrophobicContact CD2-CD1 3.32Å; W259-I266 HydrophobicContact CE3-CD1 3.34Å; W259-I266 HydrophobicContact CG-CD1 3.89Å; W259-I266 HydrophobicContact CH2-CD1 3.94Å; W259-I266 HydrophobicContact CZ2-CD1 3.94Å; W259-I266 HydrophobicContact CZ3-CD1 3.66Å; W259-I295 HydrophobicContact CH2-CD1 4.43Å; W259-I295 HydrophobicContact CZ3-CD1 3.83Å; W259-F315 WeakPolarHBondContact O-CE2 3.37Å |
| 260 | S | 97 | Very high | 95 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -65.3 | 150.5 | 165.8 | 68.5 | 0 | 0 | 0 | 0 | 110 | N180 D262 D263 N264 G265 | N180-S260 PolarHBondContact ND2-O 3.2Å; S260-D262 WeakPolarHBondContact CB-OD1 3.32Å; S260-D262 PolarHBondContact O-N 2.96Å; S260-D262 PolarHBondContact OG-OD1 3.47Å; S260-D263 PolarHBondContact O-N 3.24Å; S260-N264 PolarHBondContact OG-N 2.78Å; S260-N264 VanDerWaalsContact OG-N 3.14Å; S260-G265 PolarHBondContact N-O 2.91Å; S260-G265 PolarHBondContact OG-N 3.06Å; S260-G265 PolarHBondContact OG-O 2.82Å | ||
| 261 | P | 96.4 | Very high | 95.5 | Very high | 48 Ų | 48 | 18.3 Ų | 18.3 | 31% | 0.312 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.8 | -174.7 | -27.4 | 37.1 | 0 | 0 | 0 | 114.9 | F315 G319 | P261-F315 HydrophobicContact CG-CB 4.48Å; P261-F315 HydrophobicContact CG-CD1 3.85Å; P261-F315 HydrophobicContact CG-CD2 4.08Å; P261-F315 HydrophobicContact CG-CE1 3.99Å; P261-F315 HydrophobicContact CG-CE2 4.23Å; P261-F315 HydrophobicContact CG-CG 3.88Å; P261-F315 HydrophobicContact CG-CZ 4.16Å; P261-G319 VanDerWaalsContact CG-CA 3.41Å; P261-G319 WeakPolarHBondContact CG-O 3.49Å |
| 262 | D | 95.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 17.2 Ų | 17.2 | 42% | 0.422 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.2 | -179.1 | 61.1 | -3.5 | 0 | 0 | 0 | 113.6 | S260 N264 | S260-D262 WeakPolarHBondContact CB-OD1 3.32Å; S260-D262 PolarHBondContact O-N 2.96Å; S260-D262 PolarHBondContact OG-OD1 3.47Å; D262-N264 PolarHBondContact O-N 3.43Å; D262-N264 WeakPolarHBondContact OD1-CB 3.48Å; D262-N264 PolarHBondContact OD1-N 2.82Å; D262-N264 PolarHBondContact OD2-ND2 2.82Å |
| 263 | D | 96.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 18.4 Ų | 18.4 | 18% | 0.176 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 55.1 | 15.2 | -174.7 | -68 | -23.9 | 0 | 0 | 0 | 115.2 | N180 A181 W259 S260 G265 | N180-D263 WeakPolarHBondContact CA-OD2 3.43Å; N180-D263 WeakPolarHBondContact CB-OD1 3.49Å; N180-D263 WeakPolarHBondContact CB-OD2 3.38Å; N180-D263 VanDerWaalsContact N-CG 3.32Å; N180-D263 PolarHBondContact N-OD1 2.75Å; N180-D263 PolarHBondContact N-OD2 2.79Å; N180-D263 PolarHBondContact ND2-OD1 2.86Å; A181-D263 WeakPolarHBondContact CB-OD2 3.21Å; A181-D263 PolarHBondContact N-OD2 3Å; W259-D263 HydrophobicContact CE3-CB 4.36Å; S260-D263 PolarHBondContact O-N 3.24Å; D263-G265 VanDerWaalsContact C-N 3.27Å; D263-G265 PolarHBondContact O-N 2.96Å |
| 264 | N | 95.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 22.2 Ų | 22.2 | 26% | 0.262 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -76.6 | -13.2 | 178.3 | -74.8 | -38.4 | 0 | 0 | 0 | 113.3 | S260 D262 I295 K296 | S260-N264 PolarHBondContact OG-N 2.78Å; S260-N264 VanDerWaalsContact OG-N 3.14Å; D262-N264 PolarHBondContact O-N 3.43Å; D262-N264 WeakPolarHBondContact OD1-CB 3.48Å; D262-N264 PolarHBondContact OD1-N 2.82Å; D262-N264 PolarHBondContact OD2-ND2 2.82Å; N264-I295 WeakPolarHBondContact O-CB 3.35Å; N264-I295 PolarHBondContact O-N 2.68Å; N264-K296 WeakPolarHBondContact OD1-CE 3.36Å; N264-K296 PolarHBondContact OD1-NZ 2.81Å |
| 265 | G | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -178 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S260 D263 W293 | S260-G265 PolarHBondContact N-O 2.91Å; S260-G265 PolarHBondContact OG-N 3.06Å; S260-G265 PolarHBondContact OG-O 2.82Å; D263-G265 VanDerWaalsContact C-N 3.27Å; D263-G265 PolarHBondContact O-N 2.96Å; G265-W293 CarbonylContact C-O 3.59Å; G265-W293 WeakPolarHBondContact CA-O 3.18Å |
| 266 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.5 | 178.6 | -54.3 | -62.3 | 0 | 0 | 0 | 109.1 | V186 L230 I232 P257 L258 W259 F292 W293 | V186-I266 HydrophobicContact CB-CD1 4.09Å; V186-I266 HydrophobicContact CG1-CD1 4.49Å; V186-I266 HydrophobicContact CG2-CD1 4.05Å; V186-I266 HydrophobicContact CG2-CG1 4.24Å; V186-I266 HydrophobicContact CG2-CG2 4.21Å; L230-I266 HydrophobicContact CD1-CG2 4.36Å; I232-I266 HydrophobicContact CD1-CD1 4.32Å; I232-I266 HydrophobicContact CD1-CG1 3.96Å; P257-I266 HydrophobicContact CB-CG2 4.01Å; L258-I266 CarbonylContact O-C 3.59Å; L258-I266 WeakPolarHBondContact O-CA 3.29Å; W259-I266 HydrophobicContact CD2-CD1 3.32Å; W259-I266 HydrophobicContact CE3-CD1 3.34Å; W259-I266 HydrophobicContact CG-CD1 3.89Å; W259-I266 HydrophobicContact CH2-CD1 3.94Å; W259-I266 HydrophobicContact CZ2-CD1 3.94Å; W259-I266 HydrophobicContact CZ3-CD1 3.66Å; I266-F292 WeakPolarHBondContact O-CA 3.47Å; I266-W293 HydrophobicContact CB-CB 4.44Å; I266-W293 HydrophobicContact CB-CE3 4.23Å; I266-W293 HydrophobicContact CG1-CE3 3.98Å; I266-W293 HydrophobicContact CG1-CZ3 4.44Å; I266-W293 PolarHBondContact N-O 2.92Å; I266-W293 PolarHBondContact O-N 3.11Å |
| 267 | I | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.3 | 163.8 | -64.1 | -174.8 | 0 | 0 | 0 | 108.8 | P257 L258 L290 Y291 F292 I303 P313 F315 L322 W344 | P257-I267 CarbonylContact C-O 3.57Å; P257-I267 WeakPolarHBondContact CA-O 3.48Å; L258-I267 HydrophobicContact CB-CB 4.41Å; L258-I267 PolarHBondContact N-O 2.85Å; L258-I267 PolarHBondContact O-N 2.75Å; I267-L290 HydrophobicContact CG2-CD2 4.45Å; I267-Y291 VanDerWaalsContact CA-O 3.29Å; I267-Y291 WeakPolarHBondContact CA-O 3.38Å; I267-F292 HydrophobicContact CG1-CD2 3.87Å; I267-I303 HydrophobicContact CD1-CD1 3.8Å; I267-I303 HydrophobicContact CG1-CD1 4Å; I267-I303 HydrophobicContact CG2-CD1 4.12Å; I267-P313 HydrophobicContact CG2-CB 4.13Å; I267-P313 HydrophobicContact CG2-CG 4.43Å; I267-F315 HydrophobicContact CD1-CE1 4.26Å; I267-F315 HydrophobicContact CD1-CE2 3.74Å; I267-F315 HydrophobicContact CD1-CZ 3.3Å; I267-F315 HydrophobicContact CG1-CE2 4.47Å; I267-F315 HydrophobicContact CG1-CZ 4.33Å; I267-L322 HydrophobicContact CD1-CD1 4.03Å; I267-L322 HydrophobicContact CD1-CD2 3.54Å; I267-L322 HydrophobicContact CD1-CG 4.4Å; I267-W344 HydrophobicContact CD1-CE3 4.23Å; I267-W344 HydrophobicContact CD1-CH2 3.97Å; I267-W344 HydrophobicContact CD1-CZ3 3.78Å; I267-W344 HydrophobicContact CG1-CH2 4.33Å |
| 268 | F | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 158.9 | 176.9 | 63.8 | -83.7 | 0 | 0 | 0 | 111.6 | L230 L252 C254 L290 Y291 W293 I300 | L230-F268 HydrophobicContact CD1-CB 3.83Å; L230-F268 HydrophobicContact CD1-CD1 3.31Å; L230-F268 HydrophobicContact CD1-CD2 3.83Å; L230-F268 HydrophobicContact CD1-CE1 3.65Å; L230-F268 HydrophobicContact CD1-CE2 4.14Å; L230-F268 HydrophobicContact CD1-CG 3.39Å; L230-F268 HydrophobicContact CD1-CZ 4.04Å; L252-F268 HydrophobicContact CD1-CE2 4.5Å; C254-F268 HydrophobicContact CB-CD2 4.09Å; C254-F268 HydrophobicContact CB-CE2 4.4Å; C254-F268 VanDerWaalsContact SG-CE2 3.58Å; F268-L290 WeakPolarHBondContact O-CA 3.38Å; F268-Y291 HydrophobicContact CD2-CD2 4.44Å; F268-Y291 VanDerWaalsContact CE1-CB 3.46Å; F268-Y291 AromaticContact CE2-CD2 3.94Å; F268-Y291 HydrophobicContact CE2-CD2 3.94Å; F268-Y291 HydrophobicContact CE2-CG 4.03Å; F268-Y291 HydrophobicContact CZ-CD2 4.34Å; F268-Y291 AromaticContact CZ-CG 3.94Å; F268-Y291 HydrophobicContact CZ-CG 3.94Å; F268-Y291 PolarHBondContact N-O 3.42Å; F268-Y291 PolarHBondContact O-N 3.32Å; F268-W293 HydrophobicContact CE1-CB 4.23Å; F268-I300 HydrophobicContact CE1-CG2 4.3Å; F268-I300 HydrophobicContact CZ-CD1 4.41Å; F268-I300 HydrophobicContact CZ-CG2 3.99Å |
| 269 | V | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.9 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | C254 S255 E256 Y271 H289 L290 V310 | C254-V269 CarbonylContact C-O 3.46Å; S255-V269 PolarHBondContact N-O 3.43Å; S255-V269 PolarHBondContact O-N 3.03Å; E256-V269 HydrophobicContact CB-CG2 4.04Å; E256-V269 HydrophobicContact CG-CG2 4.37Å; V269-Y271 HydrophobicContact CG1-CD2 4.32Å; V269-Y271 HydrophobicContact CG1-CE1 4.46Å; V269-Y271 HydrophobicContact CG1-CE2 3.69Å; V269-H289 CarbonylContact C-O 3.55Å; V269-H289 WeakPolarHBondContact CA-O 3.41Å; V269-L290 HydrophobicContact CG2-CD2 3.81Å; V269-V310 HydrophobicContact CG1-CG2 4.18Å |
| 270 | G | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | S288 H289 | G270-S288 WeakPolarHBondContact O-CA 3.36Å; G270-H289 PolarHBondContact N-O 3.37Å; G270-H289 PolarHBondContact O-N 2.84Å |
| 271 | Y | 94.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.3 | 172.1 | -63.1 | -85 | 0 | 0 | 0 | 109.4 | F173 W218 L252 A253 V269 L273 L280 R286 | F173-Y271 HydrophobicContact CE1-CD2 4.3Å; W218-Y271 HydrophobicContact CH2-CG 4.29Å; L252-Y271 CarbonylContact C-O 3.59Å; L252-Y271 WeakPolarHBondContact CA-O 3.31Å; A253-Y271 PolarHBondContact N-O 3.1Å; A253-Y271 PolarHBondContact O-N 3.12Å; V269-Y271 HydrophobicContact CG1-CD2 4.32Å; V269-Y271 HydrophobicContact CG1-CE1 4.46Å; V269-Y271 HydrophobicContact CG1-CE2 3.69Å; Y271-L273 PolarHBondContact O-N 2.73Å; Y271-L280 HydrophobicContact CD1-CD1 4.13Å; Y271-L280 HydrophobicContact CD1-CD2 4.04Å; Y271-L280 HydrophobicContact CD2-CD1 4.06Å; Y271-L280 HydrophobicContact CE1-CD1 4.05Å; Y271-L280 HydrophobicContact CE1-CD2 3.53Å; Y271-L280 HydrophobicContact CE1-CG 4.49Å; Y271-L280 HydrophobicContact CE2-CD1 3.96Å; Y271-L280 HydrophobicContact CG-CD1 4.14Å; Y271-R286 HydrophobicContact CD1-CB 4.13Å; Y271-R286 HydrophobicContact CE1-CB 4.25Å |
| 272 | P | 93 | Very high | 92 | Very high | 48 Ų | 48 | 33.4 Ų | 33.4 | 31% | 0.312 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 123.1 | 171.4 | -22.3 | 34.9 | 0 | 0 | 0 | 110.8 | N251 L252 P287 | N251-P272 WeakPolarHBondContact O-CA 3.38Å; L252-P272 HydrophobicContact CD2-CB 4.48Å; L252-P272 HydrophobicContact CD2-CG 4.22Å; P272-P287 VanDerWaalsContact CD-O 3.23Å; P272-P287 WeakPolarHBondContact CD-O 3.47Å |
| 273 | L | 90.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 133.3 | 173.7 | -70.5 | 176.2 | 0 | 0 | 0 | 109.7 | W218 K227 N251 A253 Y271 N277 | W218-L273 HydrophobicContact CH2-CD2 4.45Å; W218-L273 HydrophobicContact CZ2-CD2 3.55Å; K227-L273 HydrophobicContact CB-CD1 4.11Å; K227-L273 HydrophobicContact CD-CD1 3.54Å; K227-L273 HydrophobicContact CG-CD1 3.71Å; N251-L273 WeakPolarHBondContact ND2-CB 3.48Å; N251-L273 PolarHBondContact O-N 2.8Å; A253-L273 HydrophobicContact CB-CD2 4.01Å; A253-L273 HydrophobicContact CB-CG 4.36Å; Y271-L273 PolarHBondContact O-N 2.73Å; L273-N277 WeakPolarHBondContact CD2-OD1 3.38Å |
| 274 | Q | 86.7 | Confident | 91.1 | Very high | 80 Ų | 80 | 29.5 Ų | 29.5 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | trans | -116.7 | -164.2 | -177.5 | -58.6 | -172 | -8.8 | 0 | 0 | 110.6 | Y276 E703 L706 | Q274-Y276 PolarHBondContact O-N 2.83Å; Q274-E703 PolarHBondContact NE2-OE1 3.02Å; Q274-L706 HydrophobicContact CB-CD1 3.41Å; Q274-L706 VanDerWaalsContact CB-CD1 3.41Å; Q274-L706 HydrophobicContact CG-CD1 4.31Å; Q274-L706 VanDerWaalsContact OE1-CG 3.24Å | ||
| 275 | A | 86.4 | Confident | 90.7 | Very high | 92 Ų | 92 | 27.7 Ų | 27.7 | 76% | 0.76 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -58.3 | -35 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L706 | A275-L706 HydrophobicContact CB-CD1 4.29Š|
| 276 | Y | 88.1 | Confident | 90.4 | Very high | 63 Ų | 63 | 28.5 Ų | 28.5 | 25% | 0.247 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -149.5 | 166.4 | 166.6 | 59.2 | -86 | 0 | 0 | 0 | 108.1 | Q274 L278 P689 W704 L706 | Q274-Y276 PolarHBondContact O-N 2.83Å; Y276-L278 HydrophobicContact CD2-CD2 4.38Å; Y276-L278 HydrophobicContact CE2-CD2 3.78Å; Y276-P689 HydrophobicContact CE2-CG 4.33Å; Y276-W704 WeakPolarHBondContact OH-CH2 3.46Å; Y276-W704 WeakPolarHBondContact OH-CZ3 3.48Å; Y276-L706 HydrophobicContact CD1-CB 4.47Å; Y276-L706 HydrophobicContact CD1-CD1 4.1Å; Y276-L706 HydrophobicContact CD2-CD2 4.4Å; Y276-L706 HydrophobicContact CE1-CB 3.68Å; Y276-L706 HydrophobicContact CE1-CD1 4.05Å; Y276-L706 HydrophobicContact CE1-CD2 4.14Å; Y276-L706 HydrophobicContact CE1-CG 4.18Å; Y276-L706 HydrophobicContact CE2-CD2 3.76Å; Y276-L706 HydrophobicContact CG-CD1 4.43Å; Y276-L706 WeakPolarHBondContact O-CD1 3.41Å; Y276-L706 PolarHBondContact OH-O 3.35Å |
| 277 | N | 88.6 | Confident | 90.2 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -99.9 | 140 | -177.4 | -62.3 | -48.3 | 0 | 0 | 0 | 110.8 | W218 L273 | W218-N277 HydrophobicContact CD2-CB 3.63Å; W218-N277 HydrophobicContact CE3-CB 3.63Å; W218-N277 HydrophobicContact CG-CB 4.14Å; W218-N277 HydrophobicContact CH2-CB 4.26Å; W218-N277 HydrophobicContact CZ2-CB 4.27Å; W218-N277 HydrophobicContact CZ3-CB 3.95Å; L273-N277 WeakPolarHBondContact CD2-OD1 3.38Å |
| 278 | L | 88.9 | Confident | 90.1 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.105 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -92 | 140.2 | 169.5 | -60.3 | 175.4 | 0 | 0 | 0 | 108.8 | Y276 P689 D690 L706 | Y276-L278 HydrophobicContact CD2-CD2 4.38Å; Y276-L278 HydrophobicContact CE2-CD2 3.78Å; L278-P689 HydrophobicContact CD2-CG 4.06Å; L278-D690 HydrophobicContact CD1-CB 4.37Å; L278-L706 HydrophobicContact CD1-CD2 3.93Å; L278-L706 HydrophobicContact CD2-CD2 4.04Å; L278-L706 HydrophobicContact CG-CD2 3.91Å |
| 279 | G | 87.9 | Confident | 90 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 150.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W218 E220 R286 D687 | W218-G279 WeakPolarHBondContact O-CA 3.39Å; E220-G279 WeakPolarHBondContact OE2-CA 3.14Å; G279-R286 PolarHBondContact O-NE 2.83Å; G279-R286 VanDerWaalsContact O-NE 3.1Å; G279-R286 PolarHBondContact O-NH2 3.43Å; G279-R286 VanDerWaalsContact O-NH2 3.07Å; G279-D687 PolarHBondContact N-O 3.39Å |
| 280 | L | 89.5 | Confident | 90.1 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -120.4 | -6.5 | -174.7 | -76.7 | 174.8 | 0 | 0 | 0 | 116.8 | T172 F173 W218 E220 Y271 C283 R286 | T172-L280 HydrophobicContact CG2-CB 3.28Å; T172-L280 HydrophobicContact CG2-CD1 3.41Å; T172-L280 VanDerWaalsContact CG2-CD1 3.41Å; T172-L280 HydrophobicContact CG2-CG 3.97Å; F173-L280 HydrophobicContact CE1-CD1 4.15Å; F173-L280 HydrophobicContact CZ-CD1 3.78Å; W218-L280 HydrophobicContact CD2-CD1 4.37Å; W218-L280 HydrophobicContact CE3-CD1 3.51Å; W218-L280 HydrophobicContact CE3-CG 3.86Å; W218-L280 HydrophobicContact CH2-CD1 3.92Å; W218-L280 HydrophobicContact CZ3-CD1 3.25Å; W218-L280 HydrophobicContact CZ3-CG 3.69Å; E220-L280 PolarHBondContact OE2-N 3.13Å; Y271-L280 HydrophobicContact CD1-CD1 4.13Å; Y271-L280 HydrophobicContact CD1-CD2 4.04Å; Y271-L280 HydrophobicContact CD2-CD1 4.06Å; Y271-L280 HydrophobicContact CE1-CD1 4.05Å; Y271-L280 HydrophobicContact CE1-CD2 3.53Å; Y271-L280 HydrophobicContact CE1-CG 4.49Å; Y271-L280 HydrophobicContact CE2-CD1 3.96Å; Y271-L280 HydrophobicContact CG-CD1 4.14Å; L280-C283 WeakPolarHBondContact CA-O 3.49Å; L280-R286 HydrophobicContact CD2-CB 4.01Å; L280-R286 HydrophobicContact CD2-CG 3.33Å; L280-R286 HydrophobicContact CG-CG 4.34Å | ||
| 281 | I | 85.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 32 Ų | 32 | 37% | 0.369 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -73.7 | -50.3 | -178.7 | -62.6 | -163.1 | 0 | 0 | 0 | 111.7 | T172 E220 | T172-I281 VanDerWaalsContact OG1-CG1 3.25Å; T172-I281 WeakPolarHBondContact OG1-CG1 3.37Å; E220-I281 HydrophobicContact CB-CG1 4.5Å; E220-I281 HydrophobicContact CG-CB 3.81Å; E220-I281 HydrophobicContact CG-CG1 4.21Å; E220-I281 WeakPolarHBondContact O-CD1 3.41Å; E220-I281 WeakPolarHBondContact O-CG1 3.43Å; E220-I281 PolarHBondContact OE1-N 3.43Å; E220-I281 PolarHBondContact OE2-N 3.34Å |
| 282 | Y | 83.9 | Confident | 90.2 | Very high | 107 Ų | 107 | 32.4 Ų | 32.4 | 42% | 0.42 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -94.3 | -9.7 | -177.2 | -55.2 | -59 | 0 | 0 | 0 | 112 | E220 R745 H777 | E220-Y282 HydrophobicContact CG-CD2 3.63Å; E220-Y282 HydrophobicContact CG-CE2 3.81Å; E220-Y282 WeakPolarHBondContact OE1-CA 3.46Å; E220-Y282 WeakPolarHBondContact OE1-CB 3.39Å; E220-Y282 WeakPolarHBondContact OE1-CD2 3.35Å; E220-Y282 PolarHBondContact OE1-N 3.36Å; Y282-R745 HydrophobicContact CD2-CG 4.25Å; Y282-R745 HydrophobicContact CE2-CG 4.39Å; Y282-H777 HydrophobicContact CE2-CB 4.17Å; Y282-H777 AromaticContact CE2-CD2 3.57Å; Y282-H777 AromaticContact CZ-CD2 3.84Å |
| 283 | C | 87.5 | Confident | 90.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | trans | -149 | 106.7 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | L280 Q285 R286 H333 | L280-C283 WeakPolarHBondContact CA-O 3.49Å; C283-Q285 VanDerWaalsContact C-N 3.25Å; C283-Q285 PolarHBondContact O-N 2.88Å; C283-Q285 PolarHBondContact SG-N 3.34Å; C283-R286 PolarHBondContact SG-NH1 2.82Å; C283-R286 VanDerWaalsContact SG-NH1 3.41Å; C283-H333 HydrophobicContact CB-CB 3.91Å; C283-H333 PolarHBondContact SG-O 2.84Å; C283-H333 VanDerWaalsContact SG-O 3.41Å | ||
| 284 | T | 85.5 | Confident | 90.7 | Very high | 28 Ų | 28 | 29.6 Ų | 29.6 | 17% | 0.172 | 15% | 0.154 | C | C | . | . | trans | -84.6 | 1.6 | 173.9 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | R286 S309 Q311 | T284-R286 PolarHBondContact O-N 2.93Å; T284-S309 PolarHBondContact O-OG 3.41Å; T284-Q311 PolarHBondContact OG1-NE2 2.68Å | ||
| 285 | Q | 88.4 | Confident | 91.2 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | trans | -80.8 | 58.1 | -173.1 | -50.9 | -172 | 23.5 | 0 | 0 | 112 | C283 N327 G330 P332 H333 G334 | C283-Q285 VanDerWaalsContact C-N 3.25Å; C283-Q285 PolarHBondContact O-N 2.88Å; C283-Q285 PolarHBondContact SG-N 3.34Å; Q285-N327 VanDerWaalsContact CG-ND2 3.34Å; Q285-N327 WeakPolarHBondContact CG-ND2 3.25Å; Q285-N327 PolarHBondContact OE1-ND2 2.89Å; Q285-G330 PolarHBondContact OE1-O 2.81Å; Q285-P332 PolarHBondContact NE2-O 2.79Å; Q285-P332 PolarHBondContact OE1-O 3.25Å; Q285-H333 VanDerWaalsContact NE2-C 3.33Å; Q285-H333 PolarHBondContact NE2-O 2.92Å; Q285-G334 VanDerWaalsContact NE2-CA 3.3Å | ||
| 286 | R | 90.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 6% | 0.06 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -109 | 152 | 174.9 | -51.6 | -55.7 | 173.3 | -146 | 14.7 | 108.9 | Y271 G279 L280 C283 T284 S288 S309 D690 | Y271-R286 HydrophobicContact CD1-CB 4.13Å; Y271-R286 HydrophobicContact CE1-CB 4.25Å; G279-R286 PolarHBondContact O-NE 2.83Å; G279-R286 VanDerWaalsContact O-NE 3.1Å; G279-R286 PolarHBondContact O-NH2 3.43Å; G279-R286 VanDerWaalsContact O-NH2 3.07Å; L280-R286 HydrophobicContact CD2-CB 4.01Å; L280-R286 HydrophobicContact CD2-CG 3.33Å; L280-R286 HydrophobicContact CG-CG 4.34Å; C283-R286 PolarHBondContact SG-NH1 2.82Å; C283-R286 VanDerWaalsContact SG-NH1 3.41Å; T284-R286 PolarHBondContact O-N 2.93Å; R286-S288 PolarHBondContact O-N 2.9Å; R286-S288 PolarHBondContact O-OG 3.47Å; R286-S288 VanDerWaalsContact O-OG 3.07Å; R286-S309 WeakPolarHBondContact O-CA 3.4Å; R286-S309 VanDerWaalsContact O-CB 3.27Å; R286-S309 WeakPolarHBondContact O-CB 3.39Å; R286-D690 IonicContact CZ-OD2 2.83Å; R286-D690 IonicContact NH1-OD2 2.7Å; R286-D690 PolarHBondContact NH1-OD2 3Å; R286-D690 IonicContact NH2-OD1 3.2Å; R286-D690 IonicContact NH2-OD2 2.89Å |
| 287 | P | 92.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | trans | -48 | 120.2 | 167.2 | -18.5 | 25.8 | 0 | 0 | 0 | 109.5 | P272 V329 E703 | P272-P287 VanDerWaalsContact CD-O 3.23Å; P272-P287 WeakPolarHBondContact CD-O 3.47Å; P287-V329 HydrophobicContact CB-CG2 4.35Å; P287-V329 HydrophobicContact CG-CG1 3.86Å; P287-V329 HydrophobicContact CG-CG2 4.4Å; P287-E703 HydrophobicContact CG-CG 3.87Å; P287-E703 VanDerWaalsContact CG-OE1 3.27Å; P287-E703 WeakPolarHBondContact CG-OE1 3.42Å; P287-E703 WeakPolarHBondContact CG-OE2 3.47Å | ||
| 288 | S | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -154.4 | 153.9 | 178.9 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | G270 R286 Y308 S309 V310 | G270-S288 WeakPolarHBondContact O-CA 3.36Å; R286-S288 PolarHBondContact O-N 2.9Å; R286-S288 PolarHBondContact O-OG 3.47Å; R286-S288 VanDerWaalsContact O-OG 3.07Å; S288-Y308 PolarHBondContact N-O 2.83Å; S288-S309 VanDerWaalsContact OG-CA 3.32Å; S288-S309 WeakPolarHBondContact OG-CA 3.21Å; S288-V310 PolarHBondContact OG-N 3.42Å | ||
| 289 | H | 96.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.1 | -176.5 | -81.4 | -101.7 | 0 | 0 | 0 | 110.7 | V269 G270 Y291 S304 P306 | V269-H289 CarbonylContact C-O 3.55Å; V269-H289 WeakPolarHBondContact CA-O 3.41Å; G270-H289 PolarHBondContact N-O 3.37Å; G270-H289 PolarHBondContact O-N 2.84Å; H289-Y291 HydrophobicContact CB-CD2 4.05Å; H289-Y291 HydrophobicContact CB-CE2 3.41Å; H289-Y291 VanDerWaalsContact CB-CE2 3.41Å; H289-Y291 VanDerWaalsContact O-CD2 3.29Å; H289-Y291 WeakPolarHBondContact O-CD2 3.07Å; H289-S304 WeakPolarHBondContact CA-OG 3.46Å; H289-P306 WeakPolarHBondContact CE1-CA 3.06Å |
| 290 | L | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.1 | 162.9 | -64.7 | -177.4 | 0 | 0 | 0 | 107.8 | I267 F268 V269 P302 I303 S304 V310 P313 W324 | I267-L290 HydrophobicContact CG2-CD2 4.45Å; F268-L290 WeakPolarHBondContact O-CA 3.38Å; V269-L290 HydrophobicContact CG2-CD2 3.81Å; L290-P302 CarbonylContact O-C 3.54Å; L290-P302 WeakPolarHBondContact O-CA 3.48Å; L290-I303 HydrophobicContact CB-CD1 4.17Å; L290-I303 HydrophobicContact CB-CG1 3.68Å; L290-I303 WeakPolarHBondContact O-CG1 3.32Å; L290-I303 PolarHBondContact O-N 3.2Å; L290-S304 PolarHBondContact N-OG 3.28Å; L290-V310 HydrophobicContact CD2-CG2 4.02Å; L290-V310 HydrophobicContact CG-CB 4.35Å; L290-V310 HydrophobicContact CG-CG2 3.98Å; L290-P313 HydrophobicContact CD1-CB 4.46Å; L290-P313 HydrophobicContact CD2-CB 4.03Å; L290-P313 HydrophobicContact CD2-CG 4.12Å; L290-W324 HydrophobicContact CD1-CB 4.06Å; L290-W324 HydrophobicContact CD1-CD2 3.49Å; L290-W324 VanDerWaalsContact CD1-CD2 3.49Å; L290-W324 HydrophobicContact CD1-CE3 3.7Å; L290-W324 HydrophobicContact CD1-CG 3.67Å; L290-W324 HydrophobicContact CD1-CZ3 4.34Å |
| 291 | Y | 96.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 149.5 | 173.8 | -67.2 | -89.9 | 0 | 0 | 0 | 109.4 | Y250 L252 I267 F268 H289 I300 E301 P302 | Y250-Y291 HydrophobicContact CD1-CE1 4.06Å; Y250-Y291 HydrophobicContact CE1-CE1 4.04Å; L252-Y291 HydrophobicContact CD1-CD1 4.27Å; L252-Y291 HydrophobicContact CD1-CD2 4.07Å; L252-Y291 HydrophobicContact CD1-CE1 3.89Å; L252-Y291 HydrophobicContact CD1-CE2 3.66Å; L252-Y291 HydrophobicContact CD1-CG 4.36Å; L252-Y291 HydrophobicContact CD2-CE2 4.06Å; I267-Y291 VanDerWaalsContact CA-O 3.29Å; I267-Y291 WeakPolarHBondContact CA-O 3.38Å; F268-Y291 HydrophobicContact CD2-CD2 4.44Å; F268-Y291 VanDerWaalsContact CE1-CB 3.46Å; F268-Y291 AromaticContact CE2-CD2 3.94Å; F268-Y291 HydrophobicContact CE2-CD2 3.94Å; F268-Y291 HydrophobicContact CE2-CG 4.03Å; F268-Y291 HydrophobicContact CZ-CD2 4.34Å; F268-Y291 AromaticContact CZ-CG 3.94Å; F268-Y291 HydrophobicContact CZ-CG 3.94Å; F268-Y291 PolarHBondContact N-O 3.42Å; F268-Y291 PolarHBondContact O-N 3.32Å; H289-Y291 HydrophobicContact CB-CD2 4.05Å; H289-Y291 HydrophobicContact CB-CE2 3.41Å; H289-Y291 VanDerWaalsContact CB-CE2 3.41Å; H289-Y291 VanDerWaalsContact O-CD2 3.29Å; H289-Y291 WeakPolarHBondContact O-CD2 3.07Å; Y291-I300 HydrophobicContact CD1-CG2 3.91Å; Y291-I300 HydrophobicContact CG-CG2 4.33Å; Y291-E301 CarbonylContact C-O 3.4Å; Y291-E301 WeakPolarHBondContact CA-O 3.31Å; Y291-P302 HydrophobicContact CD1-CB 4.15Å; Y291-P302 HydrophobicContact CE1-CB 4Å |
| 292 | F | 96.7 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.9 | 170.3 | -179.4 | -121.8 | 0 | 0 | 0 | 109.6 | I266 I267 D294 I300 E301 I303 W344 | I266-F292 WeakPolarHBondContact O-CA 3.47Å; I267-F292 HydrophobicContact CG1-CD2 3.87Å; F292-D294 HydrophobicContact CD1-CB 4.26Å; F292-D294 HydrophobicContact CE1-CB 3.79Å; F292-D294 HydrophobicContact CZ-CB 4.47Å; F292-I300 WeakPolarHBondContact O-CA 3.45Å; F292-E301 HydrophobicContact CB-CG 4.43Å; F292-E301 PolarHBondContact N-O 3.33Å; F292-E301 PolarHBondContact O-N 3.33Å; F292-I303 HydrophobicContact CB-CD1 4.19Å; F292-I303 HydrophobicContact CB-CG1 4.43Å; F292-I303 HydrophobicContact CB-CG2 3.72Å; F292-W344 HydrophobicContact CD1-CH2 4.2Å; F292-W344 AromaticContact CD2-CH2 3.63Å; F292-W344 HydrophobicContact CD2-CH2 3.63Å; F292-W344 HydrophobicContact CD2-CZ2 4.18Å; F292-W344 HydrophobicContact CE1-CH2 4.26Å; F292-W344 AromaticContact CE2-CH2 3.68Å; F292-W344 HydrophobicContact CE2-CH2 3.68Å; F292-W344 AromaticContact CE2-CZ2 3.76Å; F292-W344 HydrophobicContact CE2-CZ2 3.76Å; F292-W344 AromaticContact CG-CH2 3.89Å; F292-W344 HydrophobicContact CG-CH2 3.89Å; F292-W344 HydrophobicContact CZ-CH2 4.01Å; F292-W344 AromaticContact CZ-CZ2 3.95Å; F292-W344 HydrophobicContact CZ-CZ2 3.95Å |
| 293 | W | 97.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 105.1 | 167.2 | 172.9 | 18.6 | 0 | 0 | 0 | 109 | L230 I232 F242 A243 G265 I266 F268 I295 S299 I300 | L230-W293 HydrophobicContact CB-CE3 4.44Å; L230-W293 HydrophobicContact CB-CZ3 4.27Å; I232-W293 HydrophobicContact CB-CH2 4.44Å; I232-W293 HydrophobicContact CD1-CE3 4.15Å; I232-W293 HydrophobicContact CD1-CH2 3.45Å; I232-W293 VanDerWaalsContact CD1-CH2 3.45Å; I232-W293 HydrophobicContact CD1-CZ2 4.17Å; I232-W293 HydrophobicContact CD1-CZ3 3.44Å; I232-W293 VanDerWaalsContact CD1-CZ3 3.44Å; I232-W293 HydrophobicContact CG1-CH2 3.77Å; I232-W293 HydrophobicContact CG1-CZ3 3.64Å; F242-W293 VanDerWaalsContact C-CH2 3.45Å; F242-W293 WeakPolarHBondContact O-CZ2 3.35Å; A243-W293 HydrophobicContact CB-CD2 3.92Å; A243-W293 HydrophobicContact CB-CE3 3.65Å; A243-W293 HydrophobicContact CB-CH2 4.33Å; A243-W293 HydrophobicContact CB-CZ3 3.86Å; G265-W293 CarbonylContact C-O 3.59Å; G265-W293 WeakPolarHBondContact CA-O 3.18Å; I266-W293 HydrophobicContact CB-CB 4.44Å; I266-W293 HydrophobicContact CB-CE3 4.23Å; I266-W293 HydrophobicContact CG1-CE3 3.98Å; I266-W293 HydrophobicContact CG1-CZ3 4.44Å; I266-W293 PolarHBondContact N-O 2.92Å; I266-W293 PolarHBondContact O-N 3.11Å; F268-W293 HydrophobicContact CE1-CB 4.23Å; W293-I295 HydrophobicContact CD2-CG1 4.45Å; W293-I295 HydrophobicContact CZ2-CG1 4.5Å; W293-I295 PolarHBondContact O-N 3.11Å; W293-S299 WeakPolarHBondContact CA-O 3.18Å; W293-I300 HydrophobicContact CB-CG1 4.08Å; W293-I300 HydrophobicContact CG-CG1 4.31Å |
| 294 | D | 96.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 110 | 170.4 | -174.2 | -41.2 | 0 | 0 | 0 | 108.7 | F292 K296 K297 N298 S299 | F292-D294 HydrophobicContact CD1-CB 4.26Å; F292-D294 HydrophobicContact CE1-CB 3.79Å; F292-D294 HydrophobicContact CZ-CB 4.47Å; D294-K296 VanDerWaalsContact C-N 3.33Å; D294-K296 PolarHBondContact O-N 3.5Å; D294-K296 PolarHBondContact OD1-N 2.9Å; D294-K297 HydrophobicContact CB-CB 4.14Å; D294-K297 HydrophobicContact CB-CD 4.48Å; D294-K297 HydrophobicContact CB-CG 4.5Å; D294-K297 PolarHBondContact OD1-N 3.34Å; D294-K297 VanDerWaalsContact OD2-CD 3.29Å; D294-K297 WeakPolarHBondContact OD2-CD 3.25Å; D294-K297 VanDerWaalsContact OD2-CE 3.24Å; D294-K297 WeakPolarHBondContact OD2-CE 3.49Å; D294-K297 IonicContact OD2-NZ 3.34Å; D294-K297 PolarHBondContact OD2-NZ 3.48Å; D294-N298 VanDerWaalsContact O-CA 3.26Å; D294-N298 WeakPolarHBondContact O-CA 3.4Å; D294-N298 PolarHBondContact O-N 2.88Å; D294-S299 PolarHBondContact N-O 3.46Å; D294-S299 PolarHBondContact O-N 3.37Å |
| 295 | I | 96 | Very high | 94.5 | Very high | 56 Ų | 56 | 41 Ų | 41 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -36.2 | -175 | -69 | 162.3 | 0 | 0 | 0 | 110.8 | I232 W259 N264 W293 N298 | I232-I295 HydrophobicContact CD1-CD1 3.66Å; I232-I295 HydrophobicContact CD1-CG1 4.07Å; W259-I295 HydrophobicContact CH2-CD1 4.43Å; W259-I295 HydrophobicContact CZ3-CD1 3.83Å; N264-I295 WeakPolarHBondContact O-CB 3.35Å; N264-I295 PolarHBondContact O-N 2.68Å; W293-I295 HydrophobicContact CD2-CG1 4.45Å; W293-I295 HydrophobicContact CZ2-CG1 4.5Å; W293-I295 PolarHBondContact O-N 3.11Å; I295-N298 PolarHBondContact O-N 3.03Å |
| 296 | K | 94 | Very high | 94.7 | Very high | 162 Ų | 162 | 44.6 Ų | 44.6 | 70% | 0.704 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -43.5 | -177.4 | -74.7 | 175.8 | 173.4 | 162.4 | 0 | 111.8 | N264 D294 | N264-K296 WeakPolarHBondContact OD1-CE 3.36Å; N264-K296 PolarHBondContact OD1-NZ 2.81Å; D294-K296 VanDerWaalsContact C-N 3.33Å; D294-K296 PolarHBondContact O-N 3.5Å; D294-K296 PolarHBondContact OD1-N 2.9Å |
| 297 | K | 94.3 | Very high | 94.7 | Very high | 143 Ų | 143 | 46.3 Ų | 46.3 | 62% | 0.622 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.4 | 175 | -63.2 | -178.8 | -163.4 | 127.4 | 0 | 112.4 | D294 S299 | D294-K297 HydrophobicContact CB-CB 4.14Å; D294-K297 HydrophobicContact CB-CD 4.48Å; D294-K297 HydrophobicContact CB-CG 4.5Å; D294-K297 PolarHBondContact OD1-N 3.34Å; D294-K297 VanDerWaalsContact OD2-CD 3.29Å; D294-K297 WeakPolarHBondContact OD2-CD 3.25Å; D294-K297 VanDerWaalsContact OD2-CE 3.24Å; D294-K297 WeakPolarHBondContact OD2-CE 3.49Å; D294-K297 IonicContact OD2-NZ 3.34Å; D294-K297 PolarHBondContact OD2-NZ 3.48Å; K297-S299 VanDerWaalsContact C-N 3.28Å; K297-S299 WeakPolarHBondContact CB-OG 3.46Å; K297-S299 PolarHBondContact O-N 3.06Å |
| 298 | N | 94.3 | Very high | 94.8 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 50.7 | -172.3 | -164.1 | 46.6 | 0 | 0 | 0 | 111.2 | P244 D294 I295 | P244-N298 VanDerWaalsContact CG-C 3.48Å; P244-N298 VanDerWaalsContact CG-O 3.22Å; P244-N298 WeakPolarHBondContact CG-O 3.17Å; P244-N298 WeakPolarHBondContact CG-OD1 3.18Å; D294-N298 VanDerWaalsContact O-CA 3.26Å; D294-N298 WeakPolarHBondContact O-CA 3.4Å; D294-N298 PolarHBondContact O-N 2.88Å; I295-N298 PolarHBondContact O-N 3.03Å |
| 299 | S | 94.2 | Very high | 94.8 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 153.3 | -175.5 | 63 | 0 | 0 | 0 | 0 | 111.6 | W293 D294 K297 | W293-S299 WeakPolarHBondContact CA-O 3.18Å; D294-S299 PolarHBondContact N-O 3.46Å; D294-S299 PolarHBondContact O-N 3.37Å; K297-S299 VanDerWaalsContact C-N 3.28Å; K297-S299 WeakPolarHBondContact CB-OG 3.46Å; K297-S299 PolarHBondContact O-N 3.06Å |
| 300 | I | 95 | Very high | 94.8 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | 177.8 | -61.6 | 173.2 | 0 | 0 | 0 | 109.7 | A243 P244 I245 F268 Y291 F292 W293 | A243-I300 HydrophobicContact CB-CD1 3.97Å; P244-I300 HydrophobicContact CG-CD1 4.42Å; P244-I300 HydrophobicContact CG-CG1 4.27Å; I245-I300 HydrophobicContact CB-CD1 4.18Å; I245-I300 HydrophobicContact CD1-CD1 4.46Å; I245-I300 HydrophobicContact CG1-CD1 3.31Å; F268-I300 HydrophobicContact CE1-CG2 4.3Å; F268-I300 HydrophobicContact CZ-CD1 4.41Å; F268-I300 HydrophobicContact CZ-CG2 3.99Å; Y291-I300 HydrophobicContact CD1-CG2 3.91Å; Y291-I300 HydrophobicContact CG-CG2 4.33Å; F292-I300 WeakPolarHBondContact O-CA 3.45Å; W293-I300 HydrophobicContact CB-CG1 4.08Å; W293-I300 HydrophobicContact CG-CG1 4.31Å |
| 301 | E | 93.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.5 | 176 | 65 | -172.8 | 171.5 | 0 | 0 | 112.1 | Y291 F292 I303 | Y291-E301 CarbonylContact C-O 3.4Å; Y291-E301 WeakPolarHBondContact CA-O 3.31Å; F292-E301 HydrophobicContact CB-CG 4.43Å; F292-E301 PolarHBondContact N-O 3.33Å; F292-E301 PolarHBondContact O-N 3.33Å; E301-I303 HydrophobicContact CG-CG2 4.28Å |
| 302 | P | 94.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.9 | 172.9 | 30.3 | -33.7 | 0 | 0 | 0 | 110.4 | L290 Y291 | L290-P302 CarbonylContact O-C 3.54Å; L290-P302 WeakPolarHBondContact O-CA 3.48Å; Y291-P302 HydrophobicContact CD1-CB 4.15Å; Y291-P302 HydrophobicContact CE1-CB 4Å |
| 303 | I | 95 | Very high | 94.7 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -124.9 | 14.1 | -178.3 | 61.1 | 159 | 0 | 0 | 0 | 112.9 | I267 L290 F292 E301 L322 W344 I346 L349 | I267-I303 HydrophobicContact CD1-CD1 3.8Å; I267-I303 HydrophobicContact CG1-CD1 4Å; I267-I303 HydrophobicContact CG2-CD1 4.12Å; L290-I303 HydrophobicContact CB-CD1 4.17Å; L290-I303 HydrophobicContact CB-CG1 3.68Å; L290-I303 WeakPolarHBondContact O-CG1 3.32Å; L290-I303 PolarHBondContact O-N 3.2Å; F292-I303 HydrophobicContact CB-CD1 4.19Å; F292-I303 HydrophobicContact CB-CG1 4.43Å; F292-I303 HydrophobicContact CB-CG2 3.72Å; E301-I303 HydrophobicContact CG-CG2 4.28Å; I303-L322 HydrophobicContact CD1-CD2 4.1Å; I303-W344 HydrophobicContact CD1-CZ3 4.25Å; I303-I346 HydrophobicContact CB-CD1 3.64Å; I303-I346 HydrophobicContact CD1-CD1 4.1Å; I303-I346 HydrophobicContact CG1-CD1 4.43Å; I303-I346 HydrophobicContact CG2-CD1 4.04Å; I303-L349 WeakPolarHBondContact O-CD1 3.07Å | ||
| 304 | S | 95.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -126.3 | 157.9 | 168.5 | 68 | 0 | 0 | 0 | 0 | 111.3 | H289 L290 | H289-S304 WeakPolarHBondContact CA-OG 3.46Å; L290-S304 PolarHBondContact N-OG 3.28Å |
| 305 | V | 93.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | trans | -70.4 | 139.1 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | Y308 P351 | V305-Y308 HydrophobicContact CB-CD2 4.47Å; V305-Y308 HydrophobicContact CB-CE2 4.49Å; V305-Y308 HydrophobicContact CG1-CD2 4.48Å; V305-Y308 HydrophobicContact CG1-CE2 4.19Å; V305-P351 HydrophobicContact CG2-CG 3.77Å | ||
| 306 | P | 91.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 45.4 Ų | 45.4 | 57% | 0.571 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -65.8 | 160.8 | 174.2 | 25.3 | -33.5 | 0 | 0 | 0 | 114.8 | H289 Y308 | H289-P306 WeakPolarHBondContact CE1-CA 3.06Å; P306-Y308 WeakPolarHBondContact O-CD2 3.26Å |
| 307 | G | 90.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 88.7 | 8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | V329 | G307-V329 PolarHBondContact O-N 3.14Š|
| 308 | Y | 94.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155.8 | 179.4 | -66.5 | -87.5 | 0 | 0 | 0 | 111.5 | S288 V305 P306 Q326 N327 P328 V329 | S288-Y308 PolarHBondContact N-O 2.83Å; V305-Y308 HydrophobicContact CB-CD2 4.47Å; V305-Y308 HydrophobicContact CB-CE2 4.49Å; V305-Y308 HydrophobicContact CG1-CD2 4.48Å; V305-Y308 HydrophobicContact CG1-CE2 4.19Å; P306-Y308 WeakPolarHBondContact O-CD2 3.26Å; Y308-Q326 HydrophobicContact CD1-CB 4.44Å; Y308-Q326 HydrophobicContact CD1-CG 4.26Å; Y308-N327 CarbonylContact C-O 3.57Å; Y308-N327 WeakPolarHBondContact CA-O 3.45Å; Y308-P328 HydrophobicContact CE1-CG 4.28Å; Y308-V329 WeakPolarHBondContact O-CG2 3.31Å |
| 309 | S | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 137.6 | 151.9 | 167.9 | 0 | 0 | 0 | 0 | 108.3 | T284 R286 S288 Q326 N327 | T284-S309 PolarHBondContact O-OG 3.41Å; R286-S309 WeakPolarHBondContact O-CA 3.4Å; R286-S309 VanDerWaalsContact O-CB 3.27Å; R286-S309 WeakPolarHBondContact O-CB 3.39Å; S288-S309 VanDerWaalsContact OG-CA 3.32Å; S288-S309 WeakPolarHBondContact OG-CA 3.21Å; S309-Q326 WeakPolarHBondContact O-CA 3.45Å; S309-Q326 VanDerWaalsContact O-CB 3.24Å; S309-Q326 WeakPolarHBondContact O-CB 3.49Å; S309-N327 PolarHBondContact N-O 2.81Å; S309-N327 PolarHBondContact O-N 3.34Å; S309-N327 VanDerWaalsContact O-N 3.14Å |
| 310 | V | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.1 | 178 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | V269 S288 L290 L325 Q326 | V269-V310 HydrophobicContact CG1-CG2 4.18Å; S288-V310 PolarHBondContact OG-N 3.42Å; L290-V310 HydrophobicContact CD2-CG2 4.02Å; L290-V310 HydrophobicContact CG-CB 4.35Å; L290-V310 HydrophobicContact CG-CG2 3.98Å; V310-L325 WeakPolarHBondContact CA-O 3.3Å; V310-Q326 HydrophobicContact CG1-CB 4.2Å |
| 311 | Q | 95.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 162.1 | 178.8 | 64.8 | -173.5 | -52.8 | 0 | 0 | 111.7 | T284 L325 | T284-Q311 PolarHBondContact OG1-NE2 2.68Å; Q311-L325 HydrophobicContact CG-CB 3.78Å; Q311-L325 PolarHBondContact N-O 3.4Å; Q311-L325 PolarHBondContact O-N 2.8Å |
| 312 | C | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.3 | 57.2 | 173.8 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | E256 R314 L379 | E256-C312 WeakPolarHBondContact OE2-CA 3.39Å; E256-C312 PolarHBondContact OE2-N 3.19Å; C312-R314 PolarHBondContact O-N 3.47Å; C312-L379 HydrophobicContact CB-CB 3.84Å; C312-L379 HydrophobicContact CB-CD1 4.14Å; C312-L379 HydrophobicContact CB-CG 3.87Å; C312-L379 WeakPolarHBondContact O-CD1 2.91Å |
| 313 | P | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 131.7 | 172 | 28.1 | -32.6 | 0 | 0 | 0 | 110.3 | E256 L258 I267 L290 L322 I323 | E256-P313 WeakPolarHBondContact OE2-CD 3.27Å; L258-P313 HydrophobicContact CD2-CB 4.19Å; L258-P313 WeakPolarHBondContact CD2-O 3.12Å; I267-P313 HydrophobicContact CG2-CB 4.13Å; I267-P313 HydrophobicContact CG2-CG 4.43Å; L290-P313 HydrophobicContact CD1-CB 4.46Å; L290-P313 HydrophobicContact CD2-CB 4.03Å; L290-P313 HydrophobicContact CD2-CG 4.12Å; P313-L322 HydrophobicContact CB-CD1 4.26Å; P313-I323 CarbonylContact C-O 3.57Å; P313-I323 VanDerWaalsContact CA-O 3.31Å; P313-I323 WeakPolarHBondContact CA-O 3.38Å |
| 314 | R | 97.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 133.1 | 179 | -58.7 | -66.7 | 179 | -103.6 | 9.1 | 110.9 | C312 I323 L379 A380 D381 | C312-R314 PolarHBondContact O-N 3.47Å; R314-I323 HydrophobicContact CB-CD1 4.23Å; R314-I323 HydrophobicContact CB-CG1 3.85Å; R314-I323 PolarHBondContact N-O 3.49Å; R314-I323 WeakPolarHBondContact O-CG1 3.5Å; R314-I323 PolarHBondContact O-N 3.5Å; R314-L379 HydrophobicContact CG-CB 4.1Å; R314-L379 HydrophobicContact CG-CD1 3.91Å; R314-L379 PolarHBondContact NH2-O 2.78Å; R314-L379 VanDerWaalsContact NH2-O 3.14Å; R314-A380 PolarHBondContact NE-O 3.49Å; R314-D381 WeakPolarHBondContact CD-O 3.32Å; R314-D381 IonicContact CZ-OD1 3.94Å; R314-D381 IonicContact NH2-OD1 2.74Å; R314-D381 PolarHBondContact NH2-OD1 3.4Å |
| 315 | F | 97.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 13% | 0.127 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.3 | 171 | -78.2 | -69.6 | 0 | 0 | 0 | 111.5 | L258 W259 P261 I267 Y321 L322 W344 W384 | L258-F315 HydrophobicContact CD2-CD2 3.51Å; L258-F315 HydrophobicContact CD2-CE2 3.75Å; L258-F315 HydrophobicContact CD2-CG 4.48Å; L258-F315 HydrophobicContact CG-CD2 3.97Å; L258-F315 HydrophobicContact CG-CE2 4.11Å; W259-F315 WeakPolarHBondContact O-CE2 3.37Å; P261-F315 HydrophobicContact CG-CB 4.48Å; P261-F315 HydrophobicContact CG-CD1 3.85Å; P261-F315 HydrophobicContact CG-CD2 4.08Å; P261-F315 HydrophobicContact CG-CE1 3.99Å; P261-F315 HydrophobicContact CG-CE2 4.23Å; P261-F315 HydrophobicContact CG-CG 3.88Å; P261-F315 HydrophobicContact CG-CZ 4.16Å; I267-F315 HydrophobicContact CD1-CE1 4.26Å; I267-F315 HydrophobicContact CD1-CE2 3.74Å; I267-F315 HydrophobicContact CD1-CZ 3.3Å; I267-F315 HydrophobicContact CG1-CE2 4.47Å; I267-F315 HydrophobicContact CG1-CZ 4.33Å; F315-Y321 CarbonylContact C-O 3.57Å; F315-Y321 WeakPolarHBondContact CA-O 3.47Å; F315-L322 HydrophobicContact CD1-CB 4.06Å; F315-L322 HydrophobicContact CD1-CD1 4.06Å; F315-L322 HydrophobicContact CD2-CD1 4.38Å; F315-L322 HydrophobicContact CE1-CB 3.84Å; F315-L322 HydrophobicContact CE1-CD1 3.93Å; F315-L322 HydrophobicContact CE1-CG 4.35Å; F315-L322 HydrophobicContact CE2-CD1 4.24Å; F315-L322 HydrophobicContact CG-CD1 4.3Å; F315-L322 HydrophobicContact CZ-CD1 4.04Å; F315-W344 HydrophobicContact CD1-CG 4.45Å; F315-W344 HydrophobicContact CE1-CB 3.89Å; F315-W344 AromaticContact CE1-CD1 3.82Å; F315-W344 AromaticContact CE1-CD2 3.66Å; F315-W344 HydrophobicContact CE1-CD2 3.66Å; F315-W344 HydrophobicContact CE1-CE3 4.16Å; F315-W344 AromaticContact CE1-CG 3.5Å; F315-W344 HydrophobicContact CE1-CG 3.5Å; F315-W344 VanDerWaalsContact CE1-CG 3.5Å; F315-W344 AromaticContact CZ-CD2 3.89Å; F315-W344 HydrophobicContact CZ-CD2 3.89Å; F315-W344 AromaticContact CZ-CE2 3.99Å; F315-W344 HydrophobicContact CZ-CE3 4.27Å; F315-W344 HydrophobicContact CZ-CG 4.16Å; F315-W344 HydrophobicContact CZ-CZ2 4.47Å; F315-W384 PolarHBondContact O-NE1 3.15Å; F315-W384 VanDerWaalsContact O-NE1 3.15Å |
| 316 | S | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | trans | -59.3 | 154 | 162.5 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | N318 G319 T320 Y321 | S316-N318 WeakPolarHBondContact CB-OD1 3.21Å; S316-N318 PolarHBondContact O-N 3.23Å; S316-N318 VanDerWaalsContact O-N 3.13Å; S316-N318 PolarHBondContact OG-OD1 3.1Å; S316-G319 WeakPolarHBondContact O-CA 3.46Å; S316-G319 PolarHBondContact O-N 3.27Å; S316-T320 PolarHBondContact OG-N 3.31Å; S316-Y321 PolarHBondContact N-O 2.64Å; S316-Y321 PolarHBondContact OG-N 2.8Å; S316-Y321 PolarHBondContact OG-O 3.42Å | ||
| 317 | P | 95 | Very high | 96 | Very high | 78 Ų | 78 | 23.7 Ų | 23.7 | 51% | 0.506 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30 | -174.8 | -27.8 | 36.8 | 0 | 0 | 0 | 114.7 | G319 W384 S385 | P317-G319 VanDerWaalsContact C-N 3.3Å; P317-W384 HydrophobicContact CG-CB 3.77Å; P317-S385 WeakPolarHBondContact CG-O 3.49Å |
| 318 | N | 94.7 | Very high | 96 | Very high | 102 Ų | 102 | 24.2 Ų | 24.2 | 55% | 0.545 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.9 | 175.8 | 67.3 | -4.7 | 0 | 0 | 0 | 113.8 | S316 T320 | S316-N318 WeakPolarHBondContact CB-OD1 3.21Å; S316-N318 PolarHBondContact O-N 3.23Å; S316-N318 VanDerWaalsContact O-N 3.13Å; S316-N318 PolarHBondContact OG-OD1 3.1Å; N318-T320 VanDerWaalsContact C-N 3.26Å; N318-T320 HydrophobicContact CB-CG2 4.49Å; N318-T320 VanDerWaalsContact CG-OG1 3.29Å; N318-T320 PolarHBondContact ND2-OG1 3.31Å; N318-T320 PolarHBondContact O-N 2.92Å; N318-T320 PolarHBondContact OD1-N 2.92Å; N318-T320 PolarHBondContact OD1-OG1 3.33Å |
| 319 | G | 95.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 71.4 | 9.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P261 S316 P317 | P261-G319 VanDerWaalsContact CG-CA 3.41Å; P261-G319 WeakPolarHBondContact CG-O 3.49Å; S316-G319 WeakPolarHBondContact O-CA 3.46Å; S316-G319 PolarHBondContact O-N 3.27Å; P317-G319 VanDerWaalsContact C-N 3.3Å |
| 320 | T | 95.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 22 Ų | 22 | 44% | 0.442 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -93.4 | -8.1 | -174.3 | 65 | 0 | 0 | 0 | 0 | 114.2 | S316 N318 W344 | S316-T320 PolarHBondContact OG-N 3.31Å; N318-T320 VanDerWaalsContact C-N 3.26Å; N318-T320 HydrophobicContact CB-CG2 4.49Å; N318-T320 VanDerWaalsContact CG-OG1 3.29Å; N318-T320 PolarHBondContact ND2-OG1 3.31Å; N318-T320 PolarHBondContact O-N 2.92Å; N318-T320 PolarHBondContact OD1-N 2.92Å; N318-T320 PolarHBondContact OD1-OG1 3.33Å; T320-W344 PolarHBondContact O-N 3.05Å |
| 321 | Y | 96.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 22.1 Ų | 22.1 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.5 | -175.9 | -153.4 | -96.7 | 0 | 0 | 0 | 110.6 | F315 S316 I323 G341 T342 Q343 E352 I354 W384 V408 I412 | F315-Y321 CarbonylContact C-O 3.57Å; F315-Y321 WeakPolarHBondContact CA-O 3.47Å; S316-Y321 PolarHBondContact N-O 2.64Å; S316-Y321 PolarHBondContact OG-N 2.8Å; S316-Y321 PolarHBondContact OG-O 3.42Å; Y321-I323 HydrophobicContact CD1-CG2 3.87Å; Y321-I323 HydrophobicContact CE1-CG2 3.88Å; Y321-G341 PolarHBondContact OH-O 3.28Å; Y321-T342 WeakPolarHBondContact CA-O 3.23Å; Y321-T342 WeakPolarHBondContact CD2-O 3.5Å; Y321-T342 VanDerWaalsContact CE2-C 3.49Å; Y321-Q343 HydrophobicContact CD2-CG 4Å; Y321-Q343 HydrophobicContact CE2-CG 4.02Å; Y321-E352 PolarHBondContact OH-OE2 2.81Å; Y321-I354 HydrophobicContact CE1-CD1 4.24Å; Y321-W384 HydrophobicContact CD1-CH2 4.15Å; Y321-V408 HydrophobicContact CD1-CG1 4.46Å; Y321-V408 HydrophobicContact CE1-CG1 4.01Å; Y321-I412 VanDerWaalsContact OH-CD1 3.29Å; Y321-I412 WeakPolarHBondContact OH-CD1 3.26Å |
| 322 | L | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.3 | 178.9 | 175.9 | 68.6 | 0 | 0 | 0 | 108.8 | L258 I267 I303 P313 F315 W324 G341 T342 W344 | L258-L322 HydrophobicContact CD2-CD1 4.4Å; I267-L322 HydrophobicContact CD1-CD1 4.03Å; I267-L322 HydrophobicContact CD1-CD2 3.54Å; I267-L322 HydrophobicContact CD1-CG 4.4Å; I303-L322 HydrophobicContact CD1-CD2 4.1Å; P313-L322 HydrophobicContact CB-CD1 4.26Å; F315-L322 HydrophobicContact CD1-CB 4.06Å; F315-L322 HydrophobicContact CD1-CD1 4.06Å; F315-L322 HydrophobicContact CD2-CD1 4.38Å; F315-L322 HydrophobicContact CE1-CB 3.84Å; F315-L322 HydrophobicContact CE1-CD1 3.93Å; F315-L322 HydrophobicContact CE1-CG 4.35Å; F315-L322 HydrophobicContact CE2-CD1 4.24Å; F315-L322 HydrophobicContact CG-CD1 4.3Å; F315-L322 HydrophobicContact CZ-CD1 4.04Å; L322-W324 HydrophobicContact CD2-CE3 4.43Å; L322-W324 HydrophobicContact CD2-CZ3 4.32Å; L322-W324 HydrophobicContact CG-CE3 4.21Å; L322-W324 HydrophobicContact CG-CZ3 4.33Å; L322-G341 CarbonylContact O-C 3.6Å; L322-G341 WeakPolarHBondContact O-CA 3.44Å; L322-T342 PolarHBondContact N-O 2.85Å; L322-T342 PolarHBondContact O-N 2.83Å; L322-W344 HydrophobicContact CD2-CE3 4.5Å |
| 323 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 157.3 | 172.6 | 61.8 | 172 | 0 | 0 | 0 | 111.2 | P313 R314 Y321 L339 V340 I354 L379 W384 V391 | P313-I323 CarbonylContact C-O 3.57Å; P313-I323 VanDerWaalsContact CA-O 3.31Å; P313-I323 WeakPolarHBondContact CA-O 3.38Å; R314-I323 HydrophobicContact CB-CD1 4.23Å; R314-I323 HydrophobicContact CB-CG1 3.85Å; R314-I323 PolarHBondContact N-O 3.49Å; R314-I323 WeakPolarHBondContact O-CG1 3.5Å; R314-I323 PolarHBondContact O-N 3.5Å; Y321-I323 HydrophobicContact CD1-CG2 3.87Å; Y321-I323 HydrophobicContact CE1-CG2 3.88Å; I323-L339 HydrophobicContact CB-CD1 4.18Å; I323-L339 HydrophobicContact CD1-CD1 4.17Å; I323-V340 CarbonylContact C-O 3.58Å; I323-V340 WeakPolarHBondContact CA-O 3.49Å; I323-V340 WeakPolarHBondContact CB-O 3.36Å; I323-I354 HydrophobicContact CG2-CD1 3.71Å; I323-L379 HydrophobicContact CD1-CD1 3.9Å; I323-L379 HydrophobicContact CG1-CD1 4.24Å; I323-W384 HydrophobicContact CB-CZ2 4.16Å; I323-W384 HydrophobicContact CD1-CH2 4.37Å; I323-W384 HydrophobicContact CD1-CZ2 3.47Å; I323-W384 VanDerWaalsContact CD1-CZ2 3.47Å; I323-W384 HydrophobicContact CG1-CZ2 3.64Å; I323-W384 HydrophobicContact CG2-CH2 3.83Å; I323-W384 HydrophobicContact CG2-CZ2 3.51Å; I323-V391 HydrophobicContact CD1-CB 4.43Å; I323-V391 HydrophobicContact CD1-CG1 3.89Å; I323-V391 HydrophobicContact CD1-CG2 3.6Å |
| 324 | W | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 166.6 | 168.6 | 63.5 | 99.2 | 0 | 0 | 0 | 110.2 | L290 L322 V340 T342 P351 | L290-W324 HydrophobicContact CD1-CB 4.06Å; L290-W324 HydrophobicContact CD1-CD2 3.49Å; L290-W324 VanDerWaalsContact CD1-CD2 3.49Å; L290-W324 HydrophobicContact CD1-CE3 3.7Å; L290-W324 HydrophobicContact CD1-CG 3.67Å; L290-W324 HydrophobicContact CD1-CZ3 4.34Å; L322-W324 HydrophobicContact CD2-CE3 4.43Å; L322-W324 HydrophobicContact CD2-CZ3 4.32Å; L322-W324 HydrophobicContact CG-CE3 4.21Å; L322-W324 HydrophobicContact CG-CZ3 4.33Å; W324-V340 HydrophobicContact CD2-CG2 3.62Å; W324-V340 HydrophobicContact CE3-CG2 4.32Å; W324-V340 HydrophobicContact CG-CG2 3.93Å; W324-V340 HydrophobicContact CH2-CG2 4.29Å; W324-V340 HydrophobicContact CZ2-CG2 3.56Å; W324-V340 PolarHBondContact N-O 3.24Å; W324-V340 PolarHBondContact O-N 2.93Å; W324-T342 HydrophobicContact CH2-CG2 4.31Å; W324-T342 HydrophobicContact CZ3-CG2 4.11Å; W324-P351 HydrophobicContact CH2-CB 3.72Å; W324-P351 HydrophobicContact CZ2-CB 3.8Å; W324-P351 HydrophobicContact CZ2-CG 4.41Å |
| 325 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142 | 170.5 | -61.6 | 173.7 | 0 | 0 | 0 | 109.6 | V310 Q311 V337 S338 L339 C377 L379 | V310-L325 WeakPolarHBondContact CA-O 3.3Å; Q311-L325 HydrophobicContact CG-CB 3.78Å; Q311-L325 PolarHBondContact N-O 3.4Å; Q311-L325 PolarHBondContact O-N 2.8Å; L325-V337 HydrophobicContact CB-CB 4.49Å; L325-V337 HydrophobicContact CB-CG2 4.39Å; L325-V337 HydrophobicContact CD1-CG2 4.25Å; L325-V337 HydrophobicContact CD2-CG2 3.93Å; L325-V337 HydrophobicContact CG-CG2 4.42Å; L325-S338 CarbonylContact C-O 3.53Å; L325-S338 VanDerWaalsContact CA-O 3.31Å; L325-S338 WeakPolarHBondContact CA-O 3.3Å; L325-L339 HydrophobicContact CD2-CB 4.18Å; L325-L339 HydrophobicContact CD2-CD1 3.88Å; L325-C377 WeakPolarHBondContact CD1-O 3.48Å; L325-L379 HydrophobicContact CD1-CD2 4.05Å; L325-L379 HydrophobicContact CD1-CG 3.89Å; L325-L379 HydrophobicContact CD2-CD2 4.11Å; L325-L379 HydrophobicContact CD2-CG 4.42Å; L325-L379 HydrophobicContact CG-CD1 4.26Å; L325-L379 HydrophobicContact CG-CD2 4.12Å; L325-L379 HydrophobicContact CG-CG 3.91Å |
| 326 | Q | 96.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 157.8 | 175.2 | 69 | 175 | 38.8 | 0 | 0 | 113.6 | Y308 S309 V310 S338 V340 | Y308-Q326 HydrophobicContact CD1-CB 4.44Å; Y308-Q326 HydrophobicContact CD1-CG 4.26Å; S309-Q326 WeakPolarHBondContact O-CA 3.45Å; S309-Q326 VanDerWaalsContact O-CB 3.24Å; S309-Q326 WeakPolarHBondContact O-CB 3.49Å; V310-Q326 HydrophobicContact CG1-CB 4.2Å; Q326-S338 PolarHBondContact N-O 2.99Å; Q326-S338 PolarHBondContact O-N 2.98Å; Q326-V340 HydrophobicContact CG-CG1 3.92Å; Q326-V340 HydrophobicContact CG-CG2 3.87Å |
| 327 | N | 93.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 154.8 | 169.6 | 58.5 | -82.3 | 0 | 0 | 0 | 109.5 | Q285 Y308 S309 Q335 | Q285-N327 VanDerWaalsContact CG-ND2 3.34Å; Q285-N327 WeakPolarHBondContact CG-ND2 3.25Å; Q285-N327 PolarHBondContact OE1-ND2 2.89Å; Y308-N327 CarbonylContact C-O 3.57Å; Y308-N327 WeakPolarHBondContact CA-O 3.45Å; S309-N327 PolarHBondContact N-O 2.81Å; S309-N327 PolarHBondContact O-N 3.34Å; S309-N327 VanDerWaalsContact O-N 3.14Å; N327-Q335 HydrophobicContact CB-CG 4.44Å |
| 328 | P | 90.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 18.8 Ų | 18.8 | 41% | 0.409 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 146.6 | 171.2 | -23.7 | 34.3 | 0 | 0 | 0 | 111.1 | Y308 | Y308-P328 HydrophobicContact CE1-CG 4.28Å |
| 329 | V | 91.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 13.9 Ų | 13.9 | 10% | 0.097 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -70.5 | 136.8 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | P287 G307 Y308 E703 | P287-V329 HydrophobicContact CB-CG2 4.35Å; P287-V329 HydrophobicContact CG-CG1 3.86Å; P287-V329 HydrophobicContact CG-CG2 4.4Å; G307-V329 PolarHBondContact O-N 3.14Å; Y308-V329 WeakPolarHBondContact O-CG2 3.31Å; V329-E703 HydrophobicContact CG1-CB 3.71Å; V329-E703 HydrophobicContact CG1-CG 4.04Å |
| 330 | G | 88.2 | Confident | 94.7 | Very high | 14 Ų | 14 | 13.5 Ų | 13.5 | 14% | 0.144 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 94.3 | -178 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q285 Q335 C702 | Q285-G330 PolarHBondContact OE1-O 2.81Å; G330-Q335 PolarHBondContact O-NE2 2.89Å; G330-C702 WeakPolarHBondContact CA-O 3.42Å |
| 331 | G | 90.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 10.1 Ų | 10.1 | 4% | 0.041 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 74.8 | -160.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H333 T694 | G331-H333 PolarHBondContact O-N 3.46Å; G331-T694 VanDerWaalsContact C-CG2 3.41Å; G331-T694 VanDerWaalsContact O-CG2 3.3Å; G331-T694 WeakPolarHBondContact O-CG2 3.24Å |
| 332 | P | 92.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -47.1 | 130 | -176.4 | -31.7 | 34.4 | 0 | 0 | 0 | 113.3 | Q285 G334 Q335 H572 V609 I613 W701 | Q285-P332 PolarHBondContact NE2-O 2.79Å; Q285-P332 PolarHBondContact OE1-O 3.25Å; P332-G334 WeakPolarHBondContact CB-O 3.49Å; P332-G334 PolarHBondContact O-N 3.46Å; P332-Q335 HydrophobicContact CB-CB 4.34Å; P332-H572 VanDerWaalsContact CB-CD2 3.43Å; P332-H572 WeakPolarHBondContact CB-CD2 3.28Å; P332-H572 WeakPolarHBondContact CB-NE2 3.24Å; P332-V609 HydrophobicContact CB-CG1 3.74Å; P332-V609 HydrophobicContact CG-CG1 3.99Å; P332-I613 HydrophobicContact CB-CD1 4.47Å; P332-I613 HydrophobicContact CG-CD1 3.94Å; P332-I613 HydrophobicContact CG-CG1 3.89Å; P332-W701 HydrophobicContact CG-CH2 3.91Å; P332-W701 HydrophobicContact CG-CZ3 3.68Å |
| 333 | H | 90.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 16 Ų | 16 | 9% | 0.088 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -65.7 | -5.9 | -178 | -77.2 | -145.5 | 0 | 0 | 0 | 115 | C283 Q285 G331 D690 W691 | C283-H333 HydrophobicContact CB-CB 3.91Å; C283-H333 PolarHBondContact SG-O 2.84Å; C283-H333 VanDerWaalsContact SG-O 3.41Å; Q285-H333 VanDerWaalsContact NE2-C 3.33Å; Q285-H333 PolarHBondContact NE2-O 2.92Å; G331-H333 PolarHBondContact O-N 3.46Å; H333-D690 VanDerWaalsContact CE1-CG 3.41Å; H333-D690 IonicContact CE1-OD1 2.64Å; H333-D690 PolarHBondContact CE1-OD1 2.64Å; H333-D690 IonicContact CE1-OD2 3.97Å; H333-D690 PolarHBondContact CE1-OD2 2.77Å; H333-D690 IonicContact NE2-OD1 2.8Å; H333-D690 IonicContact NE2-OD2 3.9Å; H333-D690 PolarHBondContact NE2-OD2 3.4Å; H333-D690 VanDerWaalsContact NE2-OD2 3.14Å; H333-W691 VanDerWaalsContact CE1-CB 3.43Å; H333-W691 WeakPolarHBondContact CE1-CB 3.42Å; H333-W691 PolarHBondContact CE1-N 3.03Å; H333-W691 AromaticContact CG-CD1 3.94Å; H333-W691 AromaticContact ND1-CD1 3.88Å; H333-W691 WeakPolarHBondContact NE2-CA 3.1Å; H333-W691 PolarHBondContact NE2-N 3.3Å |
| 334 | G | 91.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 13% | 0.134 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -141.1 | 134.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q285 P332 H572 V609 | Q285-G334 VanDerWaalsContact NE2-CA 3.3Å; P332-G334 WeakPolarHBondContact CB-O 3.49Å; P332-G334 PolarHBondContact O-N 3.46Å; G334-H572 WeakPolarHBondContact O-CB 3.15Å; G334-V609 VanDerWaalsContact O-CG1 3.28Å; G334-V609 WeakPolarHBondContact O-CG1 3.39Å |
| 335 | Q | 94.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 9% | 0.089 | 12% | 0.124 | C | C | . | . | trans | -157 | 174.8 | -179.9 | 73.7 | -177.2 | -60.9 | 0 | 0 | 112 | N327 G330 P332 V337 N606 V609 | N327-Q335 HydrophobicContact CB-CG 4.44Å; G330-Q335 PolarHBondContact O-NE2 2.89Å; P332-Q335 HydrophobicContact CB-CB 4.34Å; Q335-V337 PolarHBondContact O-N 2.92Å; Q335-N606 WeakPolarHBondContact CB-OD1 3.4Å; Q335-V609 HydrophobicContact CB-CG1 4.38Å | ||
| 336 | C | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -65 | 129.1 | 175.8 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | V357 I358 L375 Y376 N606 | C336-V357 HydrophobicContact CB-CG1 4.04Å; C336-I358 PolarHBondContact SG-N 3.34Å; C336-I358 VanDerWaalsContact SG-N 3.45Å; C336-L375 WeakPolarHBondContact CA-O 3.49Å; C336-Y376 HydrophobicContact CB-CE1 3.87Å; C336-Y376 HydrophobicContact CB-CE2 4.43Å; C336-N606 HydrophobicContact CB-CB 3.98Å; C336-N606 PolarHBondContact N-OD1 3.27Å |
| 337 | V | 96.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -95.3 | 155.5 | 176.8 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | L325 Q335 L375 | L325-V337 HydrophobicContact CB-CB 4.49Å; L325-V337 HydrophobicContact CB-CG2 4.39Å; L325-V337 HydrophobicContact CD1-CG2 4.25Å; L325-V337 HydrophobicContact CD2-CG2 3.93Å; L325-V337 HydrophobicContact CG-CG2 4.42Å; Q335-V337 PolarHBondContact O-N 2.92Å; V337-L375 HydrophobicContact CG2-CB 3.78Å; V337-L375 WeakPolarHBondContact CG2-O 3.44Å; V337-L375 PolarHBondContact N-O 3.07Å |
| 338 | S | 97 | Very high | 93.1 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.4 | 165.7 | -61 | 0 | 0 | 0 | 0 | 110.4 | L325 Q326 V355 V357 | L325-S338 CarbonylContact C-O 3.53Å; L325-S338 VanDerWaalsContact CA-O 3.31Å; L325-S338 WeakPolarHBondContact CA-O 3.3Å; Q326-S338 PolarHBondContact N-O 2.99Å; Q326-S338 PolarHBondContact O-N 2.98Å; S338-V355 CarbonylContact C-O 3.54Å; S338-V355 WeakPolarHBondContact CA-O 3.18Å; S338-V355 VanDerWaalsContact CB-O 3.27Å; S338-V355 WeakPolarHBondContact CB-O 3.44Å; S338-V357 WeakPolarHBondContact OG-CG2 3.43Å; S338-V357 PolarHBondContact OG-N 2.79Å; S338-V357 VanDerWaalsContact OG-N 3.13Å |
| 339 | L | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.9 | 163.8 | 179.9 | 65.5 | 0 | 0 | 0 | 108.3 | I323 L325 I354 V355 L375 L379 V391 I406 | I323-L339 HydrophobicContact CB-CD1 4.18Å; I323-L339 HydrophobicContact CD1-CD1 4.17Å; L325-L339 HydrophobicContact CD2-CB 4.18Å; L325-L339 HydrophobicContact CD2-CD1 3.88Å; L339-I354 HydrophobicContact CB-CB 4.46Å; L339-I354 HydrophobicContact CD2-CB 4.23Å; L339-I354 HydrophobicContact CD2-CD1 4.37Å; L339-I354 HydrophobicContact CD2-CG2 3.97Å; L339-I354 HydrophobicContact CG-CB 4.14Å; L339-I354 HydrophobicContact CG-CD1 4.11Å; L339-I354 HydrophobicContact CG-CG2 4.45Å; L339-I354 WeakPolarHBondContact O-CA 3.23Å; L339-I354 WeakPolarHBondContact O-CB 3.32Å; L339-I354 PolarHBondContact O-N 3.23Å; L339-V355 HydrophobicContact CB-CB 4Å; L339-V355 HydrophobicContact CB-CG2 4.21Å; L339-V355 HydrophobicContact CD2-CG2 4.42Å; L339-V355 PolarHBondContact N-O 3.21Å; L339-V355 PolarHBondContact O-N 3.28Å; L339-L375 HydrophobicContact CB-CD1 3.82Å; L339-L379 HydrophobicContact CD1-CD1 4.29Å; L339-V391 HydrophobicContact CD2-CG1 4.47Å; L339-I406 HydrophobicContact CD2-CD1 4.05Å; L339-I406 HydrophobicContact CD2-CG2 4.31Å |
| 340 | V | 97.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160.3 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | I323 W324 Q326 E352 I353 | I323-V340 CarbonylContact C-O 3.58Å; I323-V340 WeakPolarHBondContact CA-O 3.49Å; I323-V340 WeakPolarHBondContact CB-O 3.36Å; W324-V340 HydrophobicContact CD2-CG2 3.62Å; W324-V340 HydrophobicContact CE3-CG2 4.32Å; W324-V340 HydrophobicContact CG-CG2 3.93Å; W324-V340 HydrophobicContact CH2-CG2 4.29Å; W324-V340 HydrophobicContact CZ2-CG2 3.56Å; W324-V340 PolarHBondContact N-O 3.24Å; W324-V340 PolarHBondContact O-N 2.93Å; Q326-V340 HydrophobicContact CG-CG1 3.92Å; Q326-V340 HydrophobicContact CG-CG2 3.87Å; V340-E352 CarbonylContact C-O 3.46Å; V340-E352 WeakPolarHBondContact CA-O 3.33Å; V340-E352 WeakPolarHBondContact CB-O 3.39Å; V340-I353 HydrophobicContact CG1-CG1 4.22Å |
| 341 | G | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y321 L322 P351 E352 | Y321-G341 PolarHBondContact OH-O 3.28Å; L322-G341 CarbonylContact O-C 3.6Å; L322-G341 WeakPolarHBondContact O-CA 3.44Å; G341-P351 CarbonylContact O-C 3.54Å; G341-P351 WeakPolarHBondContact O-CA 3.46Å; G341-E352 PolarHBondContact N-O 2.96Å; G341-E352 PolarHBondContact O-N 2.76Å |
| 342 | T | 96.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157 | 179.2 | -162.1 | 0 | 0 | 0 | 0 | 111.4 | Y321 L322 W324 I346 | Y321-T342 WeakPolarHBondContact CA-O 3.23Å; Y321-T342 WeakPolarHBondContact CD2-O 3.5Å; Y321-T342 VanDerWaalsContact CE2-C 3.49Å; L322-T342 PolarHBondContact N-O 2.85Å; L322-T342 PolarHBondContact O-N 2.83Å; W324-T342 HydrophobicContact CH2-CG2 4.31Å; W324-T342 HydrophobicContact CZ3-CG2 4.11Å; T342-I346 HydrophobicContact CG2-CD1 3.94Å; T342-I346 HydrophobicContact CG2-CG1 3.78Å |
| 343 | Q | 95.5 | Very high | 93.5 | Very high | 140 Ų | 140 | 53.1 Ų | 53.1 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 140.6 | 174.3 | -67.7 | -175.3 | -13.1 | 0 | 0 | 111 | Y321 | Y321-Q343 HydrophobicContact CD2-CG 4Å; Y321-Q343 HydrophobicContact CE2-CG 4.02Å |
| 344 | W | 95 | Very high | 93.8 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -117.3 | 138.4 | 177.8 | -174.7 | -95.6 | 0 | 0 | 0 | 111.4 | I267 F292 I303 F315 T320 L322 I346 | I267-W344 HydrophobicContact CD1-CE3 4.23Å; I267-W344 HydrophobicContact CD1-CH2 3.97Å; I267-W344 HydrophobicContact CD1-CZ3 3.78Å; I267-W344 HydrophobicContact CG1-CH2 4.33Å; F292-W344 HydrophobicContact CD1-CH2 4.2Å; F292-W344 AromaticContact CD2-CH2 3.63Å; F292-W344 HydrophobicContact CD2-CH2 3.63Å; F292-W344 HydrophobicContact CD2-CZ2 4.18Å; F292-W344 HydrophobicContact CE1-CH2 4.26Å; F292-W344 AromaticContact CE2-CH2 3.68Å; F292-W344 HydrophobicContact CE2-CH2 3.68Å; F292-W344 AromaticContact CE2-CZ2 3.76Å; F292-W344 HydrophobicContact CE2-CZ2 3.76Å; F292-W344 AromaticContact CG-CH2 3.89Å; F292-W344 HydrophobicContact CG-CH2 3.89Å; F292-W344 HydrophobicContact CZ-CH2 4.01Å; F292-W344 AromaticContact CZ-CZ2 3.95Å; F292-W344 HydrophobicContact CZ-CZ2 3.95Å; I303-W344 HydrophobicContact CD1-CZ3 4.25Å; F315-W344 HydrophobicContact CD1-CG 4.45Å; F315-W344 HydrophobicContact CE1-CB 3.89Å; F315-W344 AromaticContact CE1-CD1 3.82Å; F315-W344 AromaticContact CE1-CD2 3.66Å; F315-W344 HydrophobicContact CE1-CD2 3.66Å; F315-W344 HydrophobicContact CE1-CE3 4.16Å; F315-W344 AromaticContact CE1-CG 3.5Å; F315-W344 HydrophobicContact CE1-CG 3.5Å; F315-W344 VanDerWaalsContact CE1-CG 3.5Å; F315-W344 AromaticContact CZ-CD2 3.89Å; F315-W344 HydrophobicContact CZ-CD2 3.89Å; F315-W344 AromaticContact CZ-CE2 3.99Å; F315-W344 HydrophobicContact CZ-CE3 4.27Å; F315-W344 HydrophobicContact CZ-CG 4.16Å; F315-W344 HydrophobicContact CZ-CZ2 4.47Å; T320-W344 PolarHBondContact O-N 3.05Å; L322-W344 HydrophobicContact CD2-CE3 4.5Å; W344-I346 HydrophobicContact CE3-CD1 4.09Å; W344-I346 HydrophobicContact CE3-CG1 3.83Å; W344-I346 HydrophobicContact CZ3-CD1 3.89Å; W344-I346 HydrophobicContact CZ3-CG1 4Å |
| 345 | P | 92.9 | Very high | 94 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | S | Bend | cis | -65 | 147.7 | -5.7 | -22.2 | 34.7 | 0 | 0 | 0 | 113.7 | K347 | P345-K347 PolarHBondContact O-N 2.99Š|
| 346 | I | 89.6 | Confident | 94 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | trans | -68 | 117.6 | -178.4 | -64.8 | 168.6 | 0 | 0 | 0 | 109.6 | I303 T342 W344 | I303-I346 HydrophobicContact CB-CD1 3.64Å; I303-I346 HydrophobicContact CD1-CD1 4.1Å; I303-I346 HydrophobicContact CG1-CD1 4.43Å; I303-I346 HydrophobicContact CG2-CD1 4.04Å; T342-I346 HydrophobicContact CG2-CD1 3.94Å; T342-I346 HydrophobicContact CG2-CG1 3.78Å; W344-I346 HydrophobicContact CE3-CD1 4.09Å; W344-I346 HydrophobicContact CE3-CG1 3.83Å; W344-I346 HydrophobicContact CZ3-CD1 3.89Å; W344-I346 HydrophobicContact CZ3-CG1 4Å | ||
| 347 | K | 86.6 | Confident | 94 | Very high | 206 Ų | 206 | 53 Ų | 53 | 90% | 0.896 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -96.4 | -31.7 | 172.6 | -64.9 | 177.6 | -177.1 | 172.5 | 0 | 112.6 | P345 | P345-K347 PolarHBondContact O-N 2.99Š|
| 348 | C | 86.2 | Confident | 93.9 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 64% | 0.635 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -146.8 | 129.2 | 178.9 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | K350 | C348-K350 VanDerWaalsContact C-N 3.29Å; C348-K350 PolarHBondContact O-N 3.49Å |
| 349 | L | 86.3 | Confident | 93.6 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 40% | 0.398 | 28% | 0.282 | S | S | . | . | trans | -74.2 | 83.3 | -179.5 | -177.1 | 57.6 | 0 | 0 | 0 | 110.4 | I303 | I303-L349 WeakPolarHBondContact O-CD1 3.07Š| ||
| 350 | K | 89.3 | Confident | 93.2 | Very high | 158 Ų | 158 | 56 Ų | 56 | 69% | 0.687 | 29% | 0.288 | S | S | * | . | trans | -134.4 | 83.3 | 175.4 | -170.5 | -176.1 | 178.7 | -172.5 | 0 | 109.4 | C348 | C348-K350 VanDerWaalsContact C-N 3.29Å; C348-K350 PolarHBondContact O-N 3.49Å | ||
| 351 | P | 93.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 58 Ų | 58 | 20% | 0.195 | 30% | 0.301 | C | S | . | . | trans | -63.9 | 140 | 173.4 | 25.8 | -32.4 | 0 | 0 | 0 | 111.1 | V305 W324 G341 | V305-P351 HydrophobicContact CG2-CG 3.77Å; W324-P351 HydrophobicContact CH2-CB 3.72Å; W324-P351 HydrophobicContact CZ2-CB 3.8Å; W324-P351 HydrophobicContact CZ2-CG 4.41Å; G341-P351 CarbonylContact O-C 3.54Å; G341-P351 WeakPolarHBondContact O-CA 3.46Å | ||
| 352 | E | 96 | Very high | 91.3 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.3 | 174.2 | -62.6 | 172.8 | 133.8 | 0 | 0 | 109.1 | Y321 V340 G341 I354 I412 | Y321-E352 PolarHBondContact OH-OE2 2.81Å; V340-E352 CarbonylContact C-O 3.46Å; V340-E352 WeakPolarHBondContact CA-O 3.33Å; V340-E352 WeakPolarHBondContact CB-O 3.39Å; G341-E352 PolarHBondContact N-O 2.96Å; G341-E352 PolarHBondContact O-N 2.76Å; E352-I354 PolarHBondContact O-N 2.85Å; E352-I412 HydrophobicContact CB-CD1 4.39Å; E352-I412 HydrophobicContact CB-CG1 4.23Å; E352-I412 WeakPolarHBondContact OE2-CD1 2.97Å |
| 353 | I | 96.2 | Very high | 89.9 | Confident | 101 Ų | 101 | 65.7 Ų | 65.7 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.1 | 176.2 | -58.2 | 173.6 | 0 | 0 | 0 | 108.1 | V340 P356 | V340-I353 HydrophobicContact CG1-CG1 4.22Å; I353-P356 HydrophobicContact CG2-CB 3.85Å |
| 354 | I | 97.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -48.2 | 178.4 | -58.1 | 162.5 | 0 | 0 | 0 | 109.1 | Y321 I323 L339 E352 I406 V408 S411 I412 | Y321-I354 HydrophobicContact CE1-CD1 4.24Å; I323-I354 HydrophobicContact CG2-CD1 3.71Å; L339-I354 HydrophobicContact CB-CB 4.46Å; L339-I354 HydrophobicContact CD2-CB 4.23Å; L339-I354 HydrophobicContact CD2-CD1 4.37Å; L339-I354 HydrophobicContact CD2-CG2 3.97Å; L339-I354 HydrophobicContact CG-CB 4.14Å; L339-I354 HydrophobicContact CG-CD1 4.11Å; L339-I354 HydrophobicContact CG-CG2 4.45Å; L339-I354 WeakPolarHBondContact O-CA 3.23Å; L339-I354 WeakPolarHBondContact O-CB 3.32Å; L339-I354 PolarHBondContact O-N 3.23Å; E352-I354 PolarHBondContact O-N 2.85Å; I354-I406 HydrophobicContact CG2-CG2 3.95Å; I354-V408 HydrophobicContact CD1-CG1 3.82Å; I354-V408 HydrophobicContact CD1-CG2 4.35Å; I354-V408 HydrophobicContact CG1-CG1 4.19Å; I354-V408 HydrophobicContact CG2-CG2 4.38Å; I354-S411 WeakPolarHBondContact O-CB 3.08Å; I354-I412 HydrophobicContact CG1-CD1 4.21Å; I354-I412 HydrophobicContact CG1-CG1 4.15Å |
| 355 | V | 96.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 117.5 | 171.8 | -174 | 0 | 0 | 0 | 0 | 108.4 | S338 L339 F372 L375 I406 P417 I419 | S338-V355 CarbonylContact C-O 3.54Å; S338-V355 WeakPolarHBondContact CA-O 3.18Å; S338-V355 VanDerWaalsContact CB-O 3.27Å; S338-V355 WeakPolarHBondContact CB-O 3.44Å; L339-V355 HydrophobicContact CB-CB 4Å; L339-V355 HydrophobicContact CB-CG2 4.21Å; L339-V355 HydrophobicContact CD2-CG2 4.42Å; L339-V355 PolarHBondContact N-O 3.21Å; L339-V355 PolarHBondContact O-N 3.28Å; V355-F372 HydrophobicContact CG1-CE1 3.83Å; V355-F372 HydrophobicContact CG1-CZ 4.16Å; V355-L375 HydrophobicContact CB-CD1 3.87Å; V355-L375 HydrophobicContact CG1-CD1 3.93Å; V355-L375 HydrophobicContact CG1-CG 4.03Å; V355-L375 HydrophobicContact CG2-CD1 4.17Å; V355-I406 HydrophobicContact CG2-CD1 4.19Å; V355-I406 HydrophobicContact CG2-CG2 3.81Å; V355-P417 HydrophobicContact CG1-CB 4.36Å; V355-P417 HydrophobicContact CG1-CG 4.1Å; V355-P417 HydrophobicContact CG2-CB 4.3Å; V355-I419 HydrophobicContact CG2-CD1 4.44Å |
| 356 | P | 95.2 | Very high | 85.6 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | trans | -77.7 | 170.6 | 176 | 32.7 | -31.1 | 0 | 0 | 0 | 111.2 | I353 I358 Y365 P417 | I353-P356 HydrophobicContact CG2-CB 3.85Å; P356-I358 HydrophobicContact CG-CD1 4.12Å; P356-I358 PolarHBondContact O-N 3.24Å; P356-Y365 HydrophobicContact CB-CE2 4.15Å; P356-Y365 HydrophobicContact CG-CD1 4.33Å; P356-Y365 HydrophobicContact CG-CD2 3.99Å; P356-Y365 HydrophobicContact CG-CE1 3.79Å; P356-Y365 HydrophobicContact CG-CE2 3.4Å; P356-Y365 VanDerWaalsContact CG-CE2 3.4Å; P356-Y365 HydrophobicContact CG-CG 4.43Å; P356-Y365 WeakPolarHBondContact CG-OH 3.42Å; P356-P417 VanDerWaalsContact CD-CG 3.46Å; P356-P417 HydrophobicContact CG-CG 4.31Å | ||
| 357 | V | 94.5 | Very high | 84.5 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | trans | -60 | 124.3 | 164.5 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | C336 S338 N606 | C336-V357 HydrophobicContact CB-CG1 4.04Å; S338-V357 WeakPolarHBondContact OG-CG2 3.43Å; S338-V357 PolarHBondContact OG-N 2.79Å; S338-V357 VanDerWaalsContact OG-N 3.13Å; V357-N606 HydrophobicContact CG1-CB 3.78Å | ||
| 358 | I | 94.1 | Very high | 83.7 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | trans | -97.7 | 114.8 | 176 | -50.3 | -61 | 0 | 0 | 0 | 108.3 | C336 P356 Y365 F372 G374 N606 | C336-I358 PolarHBondContact SG-N 3.34Å; C336-I358 VanDerWaalsContact SG-N 3.45Å; P356-I358 HydrophobicContact CG-CD1 4.12Å; P356-I358 PolarHBondContact O-N 3.24Å; I358-Y365 HydrophobicContact CD1-CD2 3.39Å; I358-Y365 HydrophobicContact CD1-CE2 3.83Å; I358-Y365 HydrophobicContact CD1-CG 4.33Å; I358-F372 HydrophobicContact CD1-CD1 4.27Å; I358-F372 HydrophobicContact CD1-CE1 4.27Å; I358-F372 HydrophobicContact CG1-CD1 3.85Å; I358-F372 HydrophobicContact CG1-CE1 3.73Å; I358-G374 VanDerWaalsContact CG1-CA 3.5Å; I358-N606 WeakPolarHBondContact O-CB 3.3Å; I358-N606 PolarHBondContact O-N 2.9Å | ||
| 359 | N | 92.1 | Very high | 83.4 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -78.6 | -39.8 | 176.6 | -59 | -57 | 0 | 0 | 0 | 112 | D364 G605 N606 A607 | N359-D364 WeakPolarHBondContact CA-OD2 3.4Å; N359-D364 WeakPolarHBondContact CB-OD2 3.47Å; N359-D364 PolarHBondContact N-OD2 2.87Å; N359-G605 CarbonylContact O-C 3.58Å; N359-N606 PolarHBondContact O-N 3.31Å; N359-A607 HydrophobicContact CB-CB 4.34Å; N359-A607 WeakPolarHBondContact O-CB 2.94Å; N359-A607 PolarHBondContact O-N 2.88Å |
| 360 | S | 88.6 | Confident | 83 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -141.9 | 128.5 | -174.9 | -77.3 | 0 | 0 | 0 | 0 | 111.8 | C362 S363 D364 | S360-C362 PolarHBondContact O-N 2.77Å; S360-S363 WeakPolarHBondContact CB-OG 3.47Å; S360-S363 PolarHBondContact O-N 2.98Å; S360-D364 PolarHBondContact N-OD2 2.82Å |
| 361 | P | 83.4 | Confident | 83 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -9.5 | -172.5 | -26.5 | 31.4 | 0 | 0 | 0 | 117.8 | K371 F372 P373 Y604 | P361-K371 HydrophobicContact CB-CB 4.14Å; P361-K371 WeakPolarHBondContact O-CA 3.39Å; P361-F372 WeakPolarHBondContact CA-O 3.46Å; P361-P373 HydrophobicContact CG-CB 4.34Å; P361-Y604 WeakPolarHBondContact CG-O 3.36Å |
| 362 | C | 71 | Confident | 83 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 70% | 0.696 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | -6.7 | -174.2 | -59.2 | 0 | 0 | 0 | 0 | 115.6 | S360 | S360-C362 PolarHBondContact O-N 2.77Š|
| 363 | S | 66.9 | Low | 82.9 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -24.6 | -169.7 | 57.6 | 0 | 0 | 0 | 0 | 115.6 | S360 | S360-S363 WeakPolarHBondContact CB-OG 3.47Å; S360-S363 PolarHBondContact O-N 2.98Å |
| 364 | D | 63.5 | Low | 82.9 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -91.4 | -37 | -162.6 | -59.1 | -9.2 | 0 | 0 | 0 | 112.5 | N359 S360 | N359-D364 WeakPolarHBondContact CA-OD2 3.4Å; N359-D364 WeakPolarHBondContact CB-OD2 3.47Å; N359-D364 PolarHBondContact N-OD2 2.87Å; S360-D364 PolarHBondContact N-OD2 2.82Å |
| 365 | Y | 62.7 | Low | 82.8 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | trans | -145.4 | 140 | -176.2 | -60.1 | -83.8 | 0 | 0 | 0 | 110.7 | P356 I358 C367 | P356-Y365 HydrophobicContact CB-CE2 4.15Å; P356-Y365 HydrophobicContact CG-CD1 4.33Å; P356-Y365 HydrophobicContact CG-CD2 3.99Å; P356-Y365 HydrophobicContact CG-CE1 3.79Å; P356-Y365 HydrophobicContact CG-CE2 3.4Å; P356-Y365 VanDerWaalsContact CG-CE2 3.4Å; P356-Y365 HydrophobicContact CG-CG 4.43Å; P356-Y365 WeakPolarHBondContact CG-OH 3.42Å; I358-Y365 HydrophobicContact CD1-CD2 3.39Å; I358-Y365 HydrophobicContact CD1-CE2 3.83Å; I358-Y365 HydrophobicContact CD1-CG 4.33Å; Y365-C367 PolarHBondContact O-N 2.99Å | ||
| 366 | S | 67.2 | Low | 82.8 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 57% | 0.566 | 27% | 0.267 | S | S | * | . | trans | -75.5 | 72.3 | 167.3 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | R416 | S366-R416 PolarHBondContact O-NH1 2.92Å; S366-R416 PolarHBondContact OG-NH1 3.46Å; S366-R416 VanDerWaalsContact OG-NH1 3.09Å | ||
| 367 | C | 67.1 | Low | 82.9 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | trans | -64.9 | 151.9 | 173.6 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | Y365 I369 F372 | Y365-C367 PolarHBondContact O-N 2.99Å; C367-I369 PolarHBondContact O-N 3.19Å; C367-F372 HydrophobicContact CB-CB 4.34Å | ||
| 368 | T | 69.5 | Low | 82.8 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -66.9 | -20.3 | 175 | 42.3 | 0 | 0 | 0 | 0 | 113.8 | V418 I419 | T368-V418 HydrophobicContact CG2-CG1 4.14Å; T368-I419 PolarHBondContact OG1-N 2.71Å; T368-I419 PolarHBondContact OG1-O 3.07Å |
| 369 | I | 80.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -110.1 | 136.9 | 174.5 | 60.6 | -178.5 | 0 | 0 | 0 | 110.1 | C367 F372 W397 L404 I419 K421 | C367-I369 PolarHBondContact O-N 3.19Å; I369-F372 HydrophobicContact CD1-CB 4.16Å; I369-F372 HydrophobicContact CD1-CD2 3.95Å; I369-F372 HydrophobicContact CD1-CG 4.25Å; I369-F372 HydrophobicContact CG1-CB 3.93Å; I369-F372 HydrophobicContact CG1-CG 4.45Å; I369-W397 HydrophobicContact CD1-CH2 3.77Å; I369-W397 HydrophobicContact CD1-CZ3 3.65Å; I369-W397 HydrophobicContact CG1-CH2 4.23Å; I369-L404 HydrophobicContact CD1-CD2 4.3Å; I369-I419 HydrophobicContact CD1-CB 4.01Å; I369-I419 HydrophobicContact CD1-CG2 3.73Å; I369-I419 HydrophobicContact CG1-CB 4.42Å; I369-I419 WeakPolarHBondContact CG2-O 3.36Å; I369-K421 HydrophobicContact CD1-CG 4.31Å; I369-K421 HydrophobicContact CG2-CG 4.43Å |
| 370 | D | 78.7 | Confident | 82.9 | Confident | 148 Ų | 148 | 49.5 Ų | 49.5 | 79% | 0.791 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 142.8 | 176.9 | -72.6 | -28.9 | 0 | 0 | 0 | 111.4 | F372 W397 | D370-F372 VanDerWaalsContact C-N 3.28Å; D370-F372 PolarHBondContact O-N 3.14Å; D370-W397 WeakPolarHBondContact O-CZ2 3.31Å |
| 371 | K | 87.8 | Confident | 83 | Confident | 141 Ų | 141 | 52.3 Ų | 52.3 | 61% | 0.613 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 31.7 | 172.8 | -58.9 | -177.1 | 178.9 | -178.4 | 0 | 114.4 | P361 P373 W397 | P361-K371 HydrophobicContact CB-CB 4.14Å; P361-K371 WeakPolarHBondContact O-CA 3.39Å; K371-P373 VanDerWaalsContact O-CD 3.24Å; K371-P373 WeakPolarHBondContact O-CD 3.37Å; K371-W397 VanDerWaalsContact C-CZ2 3.43Å; K371-W397 HydrophobicContact CB-CZ2 4.36Å; K371-W397 WeakPolarHBondContact O-CZ2 3.44Å |
| 372 | F | 93.6 | Very high | 83.5 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | trans | -59.7 | 115.7 | 174.8 | 179.3 | -129 | 0 | 0 | 0 | 111.1 | V355 I358 P361 C367 I369 D370 G374 L375 W397 L404 I419 | V355-F372 HydrophobicContact CG1-CE1 3.83Å; V355-F372 HydrophobicContact CG1-CZ 4.16Å; I358-F372 HydrophobicContact CD1-CD1 4.27Å; I358-F372 HydrophobicContact CD1-CE1 4.27Å; I358-F372 HydrophobicContact CG1-CD1 3.85Å; I358-F372 HydrophobicContact CG1-CE1 3.73Å; P361-F372 WeakPolarHBondContact CA-O 3.46Å; C367-F372 HydrophobicContact CB-CB 4.34Å; I369-F372 HydrophobicContact CD1-CB 4.16Å; I369-F372 HydrophobicContact CD1-CD2 3.95Å; I369-F372 HydrophobicContact CD1-CG 4.25Å; I369-F372 HydrophobicContact CG1-CB 3.93Å; I369-F372 HydrophobicContact CG1-CG 4.45Å; D370-F372 VanDerWaalsContact C-N 3.28Å; D370-F372 PolarHBondContact O-N 3.14Å; F372-G374 VanDerWaalsContact C-N 3.26Å; F372-G374 WeakPolarHBondContact CE2-O 3.31Å; F372-G374 VanDerWaalsContact CZ-C 3.45Å; F372-G374 VanDerWaalsContact CZ-CA 3.46Å; F372-G374 PolarHBondContact O-N 3.5Å; F372-L375 HydrophobicContact CE2-CD2 4.24Å; F372-L375 HydrophobicContact CZ-CD2 3.8Å; F372-L375 HydrophobicContact CZ-CG 4.04Å; F372-W397 VanDerWaalsContact CA-CH2 3.47Å; F372-W397 HydrophobicContact CB-CH2 4.21Å; F372-W397 HydrophobicContact CD2-CE3 4.49Å; F372-W397 HydrophobicContact CD2-CH2 4.28Å; F372-W397 AromaticContact CD2-CZ3 3.8Å; F372-W397 HydrophobicContact CD2-CZ3 3.8Å; F372-L404 HydrophobicContact CE2-CD1 3.81Å; F372-I419 HydrophobicContact CD1-CD1 3.8Å; F372-I419 HydrophobicContact CD2-CD1 4.27Å; F372-I419 HydrophobicContact CE1-CD1 3.39Å; F372-I419 HydrophobicContact CE2-CD1 3.92Å; F372-I419 HydrophobicContact CG-CD1 4.22Å; F372-I419 HydrophobicContact CZ-CD1 3.45Å; F372-I419 VanDerWaalsContact CZ-CD1 3.45Å | ||
| 373 | P | 94.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | trans | -81.6 | -4.2 | -175.9 | 33.8 | -36.1 | 0 | 0 | 0 | 113.4 | P361 K371 Y376 W397 G603 G605 | P361-P373 HydrophobicContact CG-CB 4.34Å; K371-P373 VanDerWaalsContact O-CD 3.24Å; K371-P373 WeakPolarHBondContact O-CD 3.37Å; P373-Y376 HydrophobicContact CB-CE2 4.26Å; P373-Y376 WeakPolarHBondContact O-CE2 3.35Å; P373-W397 VanDerWaalsContact CD-CD2 3.48Å; P373-W397 HydrophobicContact CG-CB 4.41Å; P373-W397 HydrophobicContact CG-CD2 3.87Å; P373-W397 HydrophobicContact CG-CE3 4.21Å; P373-W397 HydrophobicContact CG-CG 3.96Å; P373-G603 VanDerWaalsContact CB-O 3.23Å; P373-G603 WeakPolarHBondContact CB-O 3.38Å; P373-G603 WeakPolarHBondContact CG-O 3.3Å; P373-G605 VanDerWaalsContact O-CA 3.24Å; P373-G605 WeakPolarHBondContact O-CA 3.35Å; P373-G605 PolarHBondContact O-N 3.33Å | ||
| 374 | G | 95.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 99.2 | -179.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I358 F372 S395 | I358-G374 VanDerWaalsContact CG1-CA 3.5Å; F372-G374 VanDerWaalsContact C-N 3.26Å; F372-G374 WeakPolarHBondContact CE2-O 3.31Å; F372-G374 VanDerWaalsContact CZ-C 3.45Å; F372-G374 VanDerWaalsContact CZ-CA 3.46Å; F372-G374 PolarHBondContact O-N 3.5Å; G374-S395 PolarHBondContact O-OG 2.82Å | ||
| 375 | L | 97 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -93.7 | 124.8 | -178.2 | -63.8 | 179.7 | 0 | 0 | 0 | 110.5 | C336 V337 L339 V355 F372 V393 L404 I406 | C336-L375 WeakPolarHBondContact CA-O 3.49Å; V337-L375 HydrophobicContact CG2-CB 3.78Å; V337-L375 WeakPolarHBondContact CG2-O 3.44Å; V337-L375 PolarHBondContact N-O 3.07Å; L339-L375 HydrophobicContact CB-CD1 3.82Å; V355-L375 HydrophobicContact CB-CD1 3.87Å; V355-L375 HydrophobicContact CG1-CD1 3.93Å; V355-L375 HydrophobicContact CG1-CG 4.03Å; V355-L375 HydrophobicContact CG2-CD1 4.17Å; F372-L375 HydrophobicContact CE2-CD2 4.24Å; F372-L375 HydrophobicContact CZ-CD2 3.8Å; F372-L375 HydrophobicContact CZ-CG 4.04Å; L375-V393 HydrophobicContact CD2-CG2 4.03Å; L375-L404 HydrophobicContact CD2-CD1 4.16Å; L375-I406 HydrophobicContact CD1-CD1 4.28Å; L375-I406 HydrophobicContact CD2-CD1 4.15Å |
| 376 | Y | 96.7 | Very high | 89.2 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | trans | -130.1 | 72.5 | 173.6 | -61.4 | -85.1 | 0 | 0 | 0 | 107.3 | C336 P373 S395 C396 L602 G605 N606 V609 | C336-Y376 HydrophobicContact CB-CE1 3.87Å; C336-Y376 HydrophobicContact CB-CE2 4.43Å; P373-Y376 HydrophobicContact CB-CE2 4.26Å; P373-Y376 WeakPolarHBondContact O-CE2 3.35Å; Y376-S395 PolarHBondContact N-OG 3.03Å; Y376-C396 PolarHBondContact O-N 3.35Å; Y376-C396 PolarHBondContact O-SG 3.11Å; Y376-L602 HydrophobicContact CD1-CB 3.75Å; Y376-L602 HydrophobicContact CD1-CD1 4.32Å; Y376-L602 HydrophobicContact CD1-CD2 3.81Å; Y376-L602 HydrophobicContact CD1-CG 4.16Å; Y376-L602 HydrophobicContact CE1-CB 4.15Å; Y376-L602 HydrophobicContact CE1-CD2 3.87Å; Y376-L602 HydrophobicContact CG-CB 4.18Å; Y376-G605 VanDerWaalsContact OH-CA 3.25Å; Y376-G605 WeakPolarHBondContact OH-CA 3.38Å; Y376-G605 PolarHBondContact OH-N 2.98Å; Y376-G605 VanDerWaalsContact OH-N 3.14Å; Y376-G605 PolarHBondContact OH-O 3.2Å; Y376-N606 PolarHBondContact OH-N 2.85Å; Y376-V609 HydrophobicContact CE1-CG2 4.09Å | ||
| 377 | C | 95.7 | Very high | 90.4 | Very high | 18 Ų | 18 | 40 Ų | 40 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | trans | -151.4 | 169.2 | -165.4 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | L325 S394 | L325-C377 WeakPolarHBondContact CD1-O 3.48Å; C377-S394 WeakPolarHBondContact CB-O 3.39Å | ||
| 378 | R | 93.5 | Very high | 91.7 | Very high | 113 Ų | 113 | 39.3 Ų | 39.3 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | trans | -115.3 | 162.3 | 158 | -66.7 | -176.9 | 64 | 90.4 | -2.1 | 108.4 | E256 | E256-R378 IonicContact OE1-CZ 3.34Å; E256-R378 IonicContact OE1-NH2 3.51Å; E256-R378 PolarHBondContact OE1-NH2 2.84Å | ||
| 379 | L | 95.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | trans | -91.1 | 132.6 | 174.9 | -50.1 | -177.9 | 0 | 0 | 0 | 110.7 | C312 R314 I323 L325 L339 V393 | C312-L379 HydrophobicContact CB-CB 3.84Å; C312-L379 HydrophobicContact CB-CD1 4.14Å; C312-L379 HydrophobicContact CB-CG 3.87Å; C312-L379 WeakPolarHBondContact O-CD1 2.91Å; R314-L379 HydrophobicContact CG-CB 4.1Å; R314-L379 HydrophobicContact CG-CD1 3.91Å; R314-L379 PolarHBondContact NH2-O 2.78Å; R314-L379 VanDerWaalsContact NH2-O 3.14Å; I323-L379 HydrophobicContact CD1-CD1 3.9Å; I323-L379 HydrophobicContact CG1-CD1 4.24Å; L325-L379 HydrophobicContact CD1-CD2 4.05Å; L325-L379 HydrophobicContact CD1-CG 3.89Å; L325-L379 HydrophobicContact CD2-CD2 4.11Å; L325-L379 HydrophobicContact CD2-CG 4.42Å; L325-L379 HydrophobicContact CG-CD1 4.26Å; L325-L379 HydrophobicContact CG-CD2 4.12Å; L325-L379 HydrophobicContact CG-CG 3.91Å; L339-L379 HydrophobicContact CD1-CD1 4.29Å; L379-V393 HydrophobicContact CD2-CG1 3.52Å | ||
| 380 | A | 93.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | trans | -60 | 156.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R314 R382 C383 | R314-A380 PolarHBondContact NE-O 3.49Å; A380-R382 VanDerWaalsContact C-N 3.29Å; A380-R382 PolarHBondContact O-N 3.08Å; A380-C383 HydrophobicContact CB-CB 4.34Å | ||
| 381 | D | 90.5 | Very high | 94.6 | Very high | 78 Ų | 78 | 32 Ų | 32 | 42% | 0.417 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -58.7 | -41.3 | 179.5 | -64.9 | -21.3 | 0 | 0 | 0 | 112.2 | K23 R314 | K23-D381 IonicContact NZ-OD2 3.17Å; K23-D381 PolarHBondContact NZ-OD2 3.42Å; R314-D381 WeakPolarHBondContact CD-O 3.32Å; R314-D381 IonicContact CZ-OD1 3.94Å; R314-D381 IonicContact NH2-OD1 2.74Å; R314-D381 PolarHBondContact NH2-OD1 3.4Å |
| 382 | R | 94 | Very high | 95.1 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 18% | 0.177 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -115.7 | 106.5 | 169.3 | -57.3 | -170.5 | -71.8 | -154.2 | 3.3 | 108.9 | V24 P106 A380 D442 V443 | V24-R382 PolarHBondContact O-NH2 3.1Å; P106-R382 PolarHBondContact O-NH1 3.32Å; A380-R382 VanDerWaalsContact C-N 3.29Å; A380-R382 PolarHBondContact O-N 3.08Å; R382-D442 WeakPolarHBondContact CB-OD1 3.25Å; R382-D442 IonicContact CZ-OD1 3.18Å; R382-D442 IonicContact CZ-OD2 3.15Å; R382-D442 IonicContact NE-OD1 3.81Å; R382-D442 PolarHBondContact NE-OD1 3.12Å; R382-D442 IonicContact NE-OD2 3.1Å; R382-D442 IonicContact NH2-OD1 2.91Å; R382-D442 PolarHBondContact NH2-OD1 3.26Å; R382-D442 IonicContact NH2-OD2 3.14Å; R382-D442 PolarHBondContact NH2-OD2 3.21Å; R382-V443 WeakPolarHBondContact CB-O 3.46Å; R382-V443 PolarHBondContact O-N 3.36Å |
| 383 | C | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -129.7 | 16.5 | -173.4 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | A380 V391 L392 | A380-C383 HydrophobicContact CB-CB 4.34Å; C383-V391 CarbonylContact O-C 3.58Å; C383-V391 VanDerWaalsContact O-CA 3.3Å; C383-V391 WeakPolarHBondContact O-CA 3.15Å; C383-L392 WeakPolarHBondContact CB-O 3.19Å; C383-L392 PolarHBondContact O-N 2.79Å | ||
| 384 | W | 97.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 6% | 0.064 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -111.1 | 146.6 | -177.3 | -74.5 | 93.1 | 0 | 0 | 0 | 111.4 | F315 P317 Y321 I323 G388 Y390 V391 V408 | F315-W384 PolarHBondContact O-NE1 3.15Å; F315-W384 VanDerWaalsContact O-NE1 3.15Å; P317-W384 HydrophobicContact CG-CB 3.77Å; Y321-W384 HydrophobicContact CD1-CH2 4.15Å; I323-W384 HydrophobicContact CB-CZ2 4.16Å; I323-W384 HydrophobicContact CD1-CH2 4.37Å; I323-W384 HydrophobicContact CD1-CZ2 3.47Å; I323-W384 VanDerWaalsContact CD1-CZ2 3.47Å; I323-W384 HydrophobicContact CG1-CZ2 3.64Å; I323-W384 HydrophobicContact CG2-CH2 3.83Å; I323-W384 HydrophobicContact CG2-CZ2 3.51Å; W384-G388 VanDerWaalsContact CZ3-O 3.24Å; W384-G388 WeakPolarHBondContact CZ3-O 3.12Å; W384-Y390 CarbonylContact C-O 3.58Å; W384-Y390 WeakPolarHBondContact CA-O 3.35Å; W384-V391 HydrophobicContact CD2-CG2 3.8Å; W384-V391 HydrophobicContact CE3-CG2 3.66Å; W384-V391 HydrophobicContact CH2-CG2 3.75Å; W384-V391 HydrophobicContact CZ2-CG2 3.89Å; W384-V391 HydrophobicContact CZ3-CG2 3.62Å; W384-V408 HydrophobicContact CH2-CG1 4.45Å; W384-V408 HydrophobicContact CH2-CG2 3.82Å; W384-V408 HydrophobicContact CZ3-CB 4.34Å; W384-V408 HydrophobicContact CZ3-CG2 3.67Å |
| 385 | S | 95.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | trans | -64.2 | 152.5 | 158.3 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | P317 D387 G388 Q389 Y390 | P317-S385 WeakPolarHBondContact CG-O 3.49Å; S385-D387 WeakPolarHBondContact CB-OD1 3.5Å; S385-D387 PolarHBondContact O-N 3.06Å; S385-D387 PolarHBondContact OG-OD1 2.68Å; S385-G388 WeakPolarHBondContact O-CA 3.29Å; S385-G388 PolarHBondContact O-N 3.01Å; S385-Q389 PolarHBondContact OG-N 3.47Å; S385-Y390 PolarHBondContact N-O 2.81Å; S385-Y390 PolarHBondContact OG-N 2.95Å; S385-Y390 PolarHBondContact OG-O 2.89Å | ||
| 386 | S | 93.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 33% | 0.329 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.5 | -173.1 | -51.5 | 0 | 0 | 0 | 0 | 113 | G388 D445 D446 | S386-G388 VanDerWaalsContact C-N 3.26Å; S386-D445 VanDerWaalsContact OG-C 3.26Å; S386-D445 WeakPolarHBondContact OG-CA 3.45Å; S386-D446 VanDerWaalsContact CB-OD1 3.3Å; S386-D446 WeakPolarHBondContact CB-OD1 3.33Å; S386-D446 PolarHBondContact N-OD1 3.14Å; S386-D446 PolarHBondContact OG-N 3.32Å; S386-D446 PolarHBondContact OG-OD1 3.47Å; S386-D446 PolarHBondContact OG-OD2 2.91Å |
| 387 | D | 93 | Very high | 95.4 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.6 | 173 | 65.6 | 2.2 | 0 | 0 | 0 | 113.7 | S385 Q389 Y471 | S385-D387 WeakPolarHBondContact CB-OD1 3.5Å; S385-D387 PolarHBondContact O-N 3.06Å; S385-D387 PolarHBondContact OG-OD1 2.68Å; D387-Q389 HydrophobicContact CB-CG 4.35Å; D387-Q389 PolarHBondContact O-N 2.9Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.45Å; D387-Q389 PolarHBondContact OD1-N 3.11Å; D387-Y471 PolarHBondContact OD2-OH 2.91Å |
| 388 | G | 94.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 68.3 | 16.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W384 S385 S386 | W384-G388 VanDerWaalsContact CZ3-O 3.24Å; W384-G388 WeakPolarHBondContact CZ3-O 3.12Å; S385-G388 WeakPolarHBondContact O-CA 3.29Å; S385-G388 PolarHBondContact O-N 3.01Å; S386-G388 VanDerWaalsContact C-N 3.26Å |
| 389 | Q | 94.1 | Very high | 95.4 | Very high | 74 Ų | 74 | 22.7 Ų | 22.7 | 35% | 0.346 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -88.2 | -29 | -179.8 | -64.2 | -55.5 | -55.1 | 0 | 0 | 113.3 | S385 D387 V408 T409 | S385-Q389 PolarHBondContact OG-N 3.47Å; D387-Q389 HydrophobicContact CB-CG 4.35Å; D387-Q389 PolarHBondContact O-N 2.9Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.45Å; D387-Q389 PolarHBondContact OD1-N 3.11Å; Q389-V408 PolarHBondContact O-N 3.13Å; Q389-T409 PolarHBondContact OE1-OG1 3.41Å |
| 390 | Y | 96 | Very high | 95.3 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.027 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.5 | -173.1 | -60.5 | -93.4 | 0 | 0 | 0 | 112.8 | W384 S385 L405 I406 S407 Y420 Y471 L474 | W384-Y390 CarbonylContact C-O 3.58Å; W384-Y390 WeakPolarHBondContact CA-O 3.35Å; S385-Y390 PolarHBondContact N-O 2.81Å; S385-Y390 PolarHBondContact OG-N 2.95Å; S385-Y390 PolarHBondContact OG-O 2.89Å; Y390-L405 VanDerWaalsContact CB-CD1 3.43Å; Y390-L405 HydrophobicContact CD1-CD1 4.19Å; Y390-L405 HydrophobicContact CD1-CD2 3.91Å; Y390-L405 HydrophobicContact CD1-CG 3.63Å; Y390-L405 HydrophobicContact CE1-CD2 4.35Å; Y390-L405 HydrophobicContact CE1-CG 4.47Å; Y390-L405 HydrophobicContact CG-CD1 3.97Å; Y390-L405 HydrophobicContact CG-CD2 4.21Å; Y390-L405 HydrophobicContact CG-CG 3.93Å; Y390-I406 CarbonylContact C-O 3.57Å; Y390-I406 VanDerWaalsContact CA-O 3.23Å; Y390-I406 WeakPolarHBondContact CA-O 3.49Å; Y390-S407 VanDerWaalsContact CE1-CB 3.48Å; Y390-Y420 HydrophobicContact CE1-CE2 4.38Å; Y390-Y471 AromaticContact CD2-CE1 3.92Å; Y390-Y471 HydrophobicContact CD2-CE1 3.92Å; Y390-Y471 AromaticContact CE2-CD1 3.69Å; Y390-Y471 HydrophobicContact CE2-CD1 3.69Å; Y390-Y471 AromaticContact CE2-CE1 3.06Å; Y390-Y471 HydrophobicContact CE2-CE1 3.06Å; Y390-Y471 AromaticContact CE2-CZ 3.62Å; Y390-Y471 AromaticContact CZ-CD1 3.63Å; Y390-Y471 AromaticContact CZ-CE1 3.49Å; Y390-Y471 VanDerWaalsContact CZ-CE1 3.49Å; Y390-Y471 WeakPolarHBondContact OH-CD1 3.39Å; Y390-Y471 WeakPolarHBondContact OH-CE1 3.37Å; Y390-L474 HydrophobicContact CE1-CD2 4.1Å |
| 391 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.2 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 109 | I323 L339 C383 W384 V393 I406 V408 | I323-V391 HydrophobicContact CD1-CB 4.43Å; I323-V391 HydrophobicContact CD1-CG1 3.89Å; I323-V391 HydrophobicContact CD1-CG2 3.6Å; L339-V391 HydrophobicContact CD2-CG1 4.47Å; C383-V391 CarbonylContact O-C 3.58Å; C383-V391 VanDerWaalsContact O-CA 3.3Å; C383-V391 WeakPolarHBondContact O-CA 3.15Å; W384-V391 HydrophobicContact CD2-CG2 3.8Å; W384-V391 HydrophobicContact CE3-CG2 3.66Å; W384-V391 HydrophobicContact CH2-CG2 3.75Å; W384-V391 HydrophobicContact CZ2-CG2 3.89Å; W384-V391 HydrophobicContact CZ3-CG2 3.62Å; V391-V393 HydrophobicContact CG1-CG1 3.91Å; V391-I406 PolarHBondContact N-O 2.94Å; V391-I406 PolarHBondContact O-N 2.71Å; V391-V408 HydrophobicContact CB-CG2 4.46Å; V391-V408 HydrophobicContact CG2-CG2 3.53Å |
| 392 | L | 98 | Very high | 95.7 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.6 | 179.2 | -71.8 | 91.9 | 0 | 0 | 0 | 110.1 | C383 L404 L405 I440 V443 L448 L466 | C383-L392 WeakPolarHBondContact CB-O 3.19Å; C383-L392 PolarHBondContact O-N 2.79Å; L392-L404 VanDerWaalsContact CA-O 3.3Å; L392-L404 WeakPolarHBondContact CA-O 3.37Å; L392-L405 HydrophobicContact CD1-CD1 3.67Å; L392-L405 HydrophobicContact CD2-CD1 4.18Å; L392-L405 HydrophobicContact CG-CD1 3.61Å; L392-I440 HydrophobicContact CB-CD1 3.88Å; L392-I440 HydrophobicContact CD2-CD1 4.37Å; L392-V443 HydrophobicContact CB-CG2 4.09Å; L392-V443 HydrophobicContact CD1-CG1 4.3Å; L392-V443 HydrophobicContact CD1-CG2 4.38Å; L392-V443 HydrophobicContact CD2-CG2 3.94Å; L392-V443 HydrophobicContact CG-CG2 4.35Å; L392-L448 HydrophobicContact CD2-CD1 4.16Å; L392-L448 HydrophobicContact CD2-CD2 4.38Å; L392-L466 HydrophobicContact CD2-CD1 3.52Å |
| 393 | V | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.3 | -178.3 | -57 | 0 | 0 | 0 | 0 | 112.3 | L375 L379 V391 G403 L404 I406 | L375-V393 HydrophobicContact CD2-CG2 4.03Å; L379-V393 HydrophobicContact CD2-CG1 3.52Å; V391-V393 HydrophobicContact CG1-CG1 3.91Å; V393-G403 CarbonylContact O-C 3.59Å; V393-G403 WeakPolarHBondContact O-CA 3.37Å; V393-L404 HydrophobicContact CG2-CB 3.82Å; V393-L404 HydrophobicContact CG2-CD1 4.2Å; V393-L404 HydrophobicContact CG2-CG 4.43Å; V393-L404 PolarHBondContact N-O 2.9Å; V393-L404 PolarHBondContact O-N 2.78Å; V393-I406 HydrophobicContact CG1-CD1 4.25Å; V393-I406 HydrophobicContact CG2-CD1 3.75Å |
| 394 | S | 97.2 | Very high | 95.7 | Very high | 19 Ų | 19 | 19.4 Ų | 19.4 | 13% | 0.133 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.9 | 168.1 | -48.5 | 0 | 0 | 0 | 0 | 108.9 | C377 S439 I440 | C377-S394 WeakPolarHBondContact CB-O 3.39Å; S394-S439 WeakPolarHBondContact OG-CA 3.25Å; S394-I440 WeakPolarHBondContact OG-CA 3.22Å; S394-I440 WeakPolarHBondContact OG-CB 3.31Å; S394-I440 PolarHBondContact OG-N 3.01Å; S394-I440 PolarHBondContact OG-O 3.5Å |
| 395 | S | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.7 | -178.8 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | G374 Y376 W397 V402 | G374-S395 PolarHBondContact O-OG 2.82Å; Y376-S395 PolarHBondContact N-OG 3.03Å; S395-W397 PolarHBondContact O-N 2.66Å; S395-V402 PolarHBondContact N-O 2.9Å; S395-V402 PolarHBondContact O-N 2.56Å |
| 396 | C | 96.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 18.4 Ų | 18.4 | 10% | 0.101 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 133.2 | 170.4 | -45.5 | 0 | 0 | 0 | 0 | 109.6 | Y376 H574 | Y376-C396 PolarHBondContact O-N 3.35Å; Y376-C396 PolarHBondContact O-SG 3.11Å; C396-H574 PolarHBondContact SG-CE1 3.48Å |
| 397 | W | 95 | Very high | 95.8 | Very high | 43 Ų | 43 | 16.2 Ų | 16.2 | 16% | 0.163 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 91.8 | 175.8 | -165.7 | -43.7 | 0 | 0 | 0 | 108.5 | I369 D370 K371 F372 P373 S395 F399 E400 V402 L404 K421 | I369-W397 HydrophobicContact CD1-CH2 3.77Å; I369-W397 HydrophobicContact CD1-CZ3 3.65Å; I369-W397 HydrophobicContact CG1-CH2 4.23Å; D370-W397 WeakPolarHBondContact O-CZ2 3.31Å; K371-W397 VanDerWaalsContact C-CZ2 3.43Å; K371-W397 HydrophobicContact CB-CZ2 4.36Å; K371-W397 WeakPolarHBondContact O-CZ2 3.44Å; F372-W397 VanDerWaalsContact CA-CH2 3.47Å; F372-W397 HydrophobicContact CB-CH2 4.21Å; F372-W397 HydrophobicContact CD2-CE3 4.49Å; F372-W397 HydrophobicContact CD2-CH2 4.28Å; F372-W397 AromaticContact CD2-CZ3 3.8Å; F372-W397 HydrophobicContact CD2-CZ3 3.8Å; P373-W397 VanDerWaalsContact CD-CD2 3.48Å; P373-W397 HydrophobicContact CG-CB 4.41Å; P373-W397 HydrophobicContact CG-CD2 3.87Å; P373-W397 HydrophobicContact CG-CE3 4.21Å; P373-W397 HydrophobicContact CG-CG 3.96Å; S395-W397 PolarHBondContact O-N 2.66Å; W397-F399 PolarHBondContact O-N 3.34Å; W397-E400 PolarHBondContact N-O 2.89Å; W397-E400 PolarHBondContact O-N 2.76Å; W397-V402 HydrophobicContact CB-CB 4.48Å; W397-V402 HydrophobicContact CB-CG2 3.83Å; W397-V402 HydrophobicContact CG-CG2 4.46Å; W397-L404 HydrophobicContact CZ3-CD2 4.36Å; W397-K421 HydrophobicContact CZ3-CD 4.44Å |
| 398 | G | 94.5 | Very high | 96 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 3% | 0.031 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -125 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E400 G603 Y604 | G398-E400 VanDerWaalsContact C-N 3.3Å; G398-G603 PolarHBondContact N-O 3.07Å; G398-G603 VanDerWaalsContact N-O 3.11Å; G398-Y604 VanDerWaalsContact CA-OH 3.24Å; G398-Y604 WeakPolarHBondContact CA-OH 3.42Å |
| 399 | F | 95.4 | Very high | 96 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 2% | 0.022 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -1.2 | 174.7 | -80.3 | -84.9 | 0 | 0 | 0 | 114.4 | W397 V507 E524 L526 S575 N576 A577 L595 N597 | W397-F399 PolarHBondContact O-N 3.34Å; F399-V507 HydrophobicContact CB-CG2 3.93Å; F399-V507 HydrophobicContact CD2-CG1 3.72Å; F399-V507 HydrophobicContact CD2-CG2 4.18Å; F399-V507 HydrophobicContact CE2-CG1 4.32Å; F399-V507 HydrophobicContact CG-CG1 4.48Å; F399-V507 HydrophobicContact CG-CG2 4.15Å; F399-E524 HydrophobicContact CD2-CB 4.1Å; F399-E524 HydrophobicContact CE2-CB 3.7Å; F399-L526 HydrophobicContact CD1-CB 3.44Å; F399-L526 VanDerWaalsContact CD1-CB 3.44Å; F399-L526 HydrophobicContact CD1-CD2 3.82Å; F399-L526 HydrophobicContact CD1-CG 4.21Å; F399-L526 HydrophobicContact CD2-CB 4.36Å; F399-L526 HydrophobicContact CE1-CB 3.21Å; F399-L526 HydrophobicContact CE1-CD2 4.12Å; F399-L526 HydrophobicContact CE1-CG 4.29Å; F399-L526 HydrophobicContact CE2-CB 4.17Å; F399-L526 HydrophobicContact CG-CB 4.02Å; F399-L526 HydrophobicContact CZ-CB 3.62Å; F399-L526 VanDerWaalsContact CZ-N 3.27Å; F399-S575 WeakPolarHBondContact CD1-O 3.48Å; F399-N576 CarbonylContact O-C 3.49Å; F399-N576 WeakPolarHBondContact O-CA 3.33Å; F399-N576 VanDerWaalsContact O-CB 3.31Å; F399-N576 WeakPolarHBondContact O-CB 2.84Å; F399-A577 PolarHBondContact O-N 2.86Å; F399-L595 HydrophobicContact CE1-CB 4.08Å; F399-N597 HydrophobicContact CE2-CB 3.98Å; F399-N597 WeakPolarHBondContact CE2-ND2 3.47Å; F399-N597 HydrophobicContact CZ-CB 3.99Å; F399-N597 WeakPolarHBondContact CZ-ND2 3.26Å |
| 400 | E | 93.7 | Very high | 96 | Very high | 49 Ų | 49 | 15.5 Ų | 15.5 | 23% | 0.229 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 150 | 178.1 | -62.1 | -179.2 | 176.6 | 0 | 0 | 111.1 | W397 G398 V402 K424 S435 | W397-E400 PolarHBondContact N-O 2.89Å; W397-E400 PolarHBondContact O-N 2.76Å; G398-E400 VanDerWaalsContact C-N 3.3Å; E400-V402 HydrophobicContact CB-CG2 3.89Å; E400-K424 IonicContact OE1-NZ 3.21Å; E400-S435 VanDerWaalsContact CD-OG 3.25Å; E400-S435 WeakPolarHBondContact OE1-CB 3.39Å; E400-S435 PolarHBondContact OE1-OG 3.43Å |
| 401 | V | 95.6 | Very high | 96 | Very high | 20 Ų | 20 | 15.2 Ų | 15.2 | 12% | 0.121 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.7 | 154.5 | -172.4 | 0 | 0 | 0 | 0 | 107.2 | S437 L438 N576 | V401-S437 PolarHBondContact N-OG 3.2Å; V401-L438 CarbonylContact C-O 3.58Å; V401-L438 VanDerWaalsContact CG1-O 3.31Å; V401-L438 WeakPolarHBondContact CG1-O 3.31Å; V401-L438 PolarHBondContact O-N 3.41Å; V401-N576 HydrophobicContact CG2-CB 4.43Å |
| 402 | V | 95.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 9% | 0.085 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.8 | -173.2 | 179.7 | 0 | 0 | 0 | 0 | 110 | S395 W397 E400 L404 K421 | S395-V402 PolarHBondContact N-O 2.9Å; S395-V402 PolarHBondContact O-N 2.56Å; W397-V402 HydrophobicContact CB-CB 4.48Å; W397-V402 HydrophobicContact CB-CG2 3.83Å; W397-V402 HydrophobicContact CG-CG2 4.46Å; E400-V402 HydrophobicContact CB-CG2 3.89Å; V402-L404 HydrophobicContact CG1-CD2 3.91Å; V402-K421 HydrophobicContact CG1-CD 4.38Å; V402-K421 HydrophobicContact CG1-CG 4.26Å |
| 403 | G | 95.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 21 Ų | 21 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 128.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V393 L422 | V393-G403 CarbonylContact O-C 3.59Å; V393-G403 WeakPolarHBondContact O-CA 3.37Å; G403-L422 WeakPolarHBondContact O-CB 3.28Å; G403-L422 PolarHBondContact O-N 2.93Å |
| 404 | L | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.3 | -179.8 | -57.1 | 175 | 0 | 0 | 0 | 110.4 | I369 F372 L375 L392 V393 W397 V402 I419 Y420 K421 | I369-L404 HydrophobicContact CD1-CD2 4.3Å; F372-L404 HydrophobicContact CE2-CD1 3.81Å; L375-L404 HydrophobicContact CD2-CD1 4.16Å; L392-L404 VanDerWaalsContact CA-O 3.3Å; L392-L404 WeakPolarHBondContact CA-O 3.37Å; V393-L404 HydrophobicContact CG2-CB 3.82Å; V393-L404 HydrophobicContact CG2-CD1 4.2Å; V393-L404 HydrophobicContact CG2-CG 4.43Å; V393-L404 PolarHBondContact N-O 2.9Å; V393-L404 PolarHBondContact O-N 2.78Å; W397-L404 HydrophobicContact CZ3-CD2 4.36Å; V402-L404 HydrophobicContact CG1-CD2 3.91Å; L404-I419 HydrophobicContact CB-CG2 4.04Å; L404-I419 HydrophobicContact CD1-CG2 4.38Å; L404-I419 HydrophobicContact CD2-CG2 4.15Å; L404-I419 HydrophobicContact CG-CG2 4.43Å; L404-Y420 WeakPolarHBondContact CA-O 3.44Å; L404-K421 HydrophobicContact CD2-CG 3.95Å |
| 405 | L | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.1 | 171.5 | -172.6 | 73.1 | 0 | 0 | 0 | 108.2 | Y390 L392 I419 Y420 L422 L469 L474 L478 | Y390-L405 VanDerWaalsContact CB-CD1 3.43Å; Y390-L405 HydrophobicContact CD1-CD1 4.19Å; Y390-L405 HydrophobicContact CD1-CD2 3.91Å; Y390-L405 HydrophobicContact CD1-CG 3.63Å; Y390-L405 HydrophobicContact CE1-CD2 4.35Å; Y390-L405 HydrophobicContact CE1-CG 4.47Å; Y390-L405 HydrophobicContact CG-CD1 3.97Å; Y390-L405 HydrophobicContact CG-CD2 4.21Å; Y390-L405 HydrophobicContact CG-CG 3.93Å; L392-L405 HydrophobicContact CD1-CD1 3.67Å; L392-L405 HydrophobicContact CD2-CD1 4.18Å; L392-L405 HydrophobicContact CG-CD1 3.61Å; L405-I419 CarbonylContact O-C 3.55Å; L405-I419 WeakPolarHBondContact O-CA 3.44Å; L405-Y420 PolarHBondContact N-O 2.82Å; L405-Y420 PolarHBondContact O-N 3.26Å; L405-L422 HydrophobicContact CB-CD2 4.47Å; L405-L469 HydrophobicContact CD2-CD1 4.19Å; L405-L474 HydrophobicContact CD2-CD2 3.92Å; L405-L478 HydrophobicContact CD2-CD1 4.47Å |
| 406 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.4 | -173.7 | -57.6 | 168.8 | 0 | 0 | 0 | 108.7 | L339 I354 V355 L375 Y390 V391 V393 V408 I419 | L339-I406 HydrophobicContact CD2-CD1 4.05Å; L339-I406 HydrophobicContact CD2-CG2 4.31Å; I354-I406 HydrophobicContact CG2-CG2 3.95Å; V355-I406 HydrophobicContact CG2-CD1 4.19Å; V355-I406 HydrophobicContact CG2-CG2 3.81Å; L375-I406 HydrophobicContact CD1-CD1 4.28Å; L375-I406 HydrophobicContact CD2-CD1 4.15Å; Y390-I406 CarbonylContact C-O 3.57Å; Y390-I406 VanDerWaalsContact CA-O 3.23Å; Y390-I406 WeakPolarHBondContact CA-O 3.49Å; V391-I406 PolarHBondContact N-O 2.94Å; V391-I406 PolarHBondContact O-N 2.71Å; V393-I406 HydrophobicContact CG1-CD1 4.25Å; V393-I406 HydrophobicContact CG2-CD1 3.75Å; I406-V408 PolarHBondContact O-N 2.94Å; I406-I419 HydrophobicContact CG1-CG1 4.27Å; I406-I419 HydrophobicContact CG1-CG2 4.22Å |
| 407 | S | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 111.9 | 174.7 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | Y390 E410 S411 V418 | Y390-S407 VanDerWaalsContact CE1-CB 3.48Å; S407-E410 VanDerWaalsContact OG-CB 3.31Å; S407-E410 WeakPolarHBondContact OG-CB 3.38Å; S407-E410 WeakPolarHBondContact OG-CG 3.49Å; S407-E410 PolarHBondContact OG-N 3.44Å; S407-E410 PolarHBondContact OG-OE1 2.89Å; S407-E410 VanDerWaalsContact OG-OE1 3.09Å; S407-S411 WeakPolarHBondContact O-CB 3.5Å; S407-S411 PolarHBondContact O-N 2.89Å; S407-S411 VanDerWaalsContact O-N 3.15Å; S407-S411 PolarHBondContact O-OG 2.94Å; S407-V418 PolarHBondContact N-O 2.81Å |
| 408 | V | 97.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -52.6 | -177.5 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | Y321 I354 W384 Q389 V391 I406 E410 S411 I412 | Y321-V408 HydrophobicContact CD1-CG1 4.46Å; Y321-V408 HydrophobicContact CE1-CG1 4.01Å; I354-V408 HydrophobicContact CD1-CG1 3.82Å; I354-V408 HydrophobicContact CD1-CG2 4.35Å; I354-V408 HydrophobicContact CG1-CG1 4.19Å; I354-V408 HydrophobicContact CG2-CG2 4.38Å; W384-V408 HydrophobicContact CH2-CG1 4.45Å; W384-V408 HydrophobicContact CH2-CG2 3.82Å; W384-V408 HydrophobicContact CZ3-CB 4.34Å; W384-V408 HydrophobicContact CZ3-CG2 3.67Å; Q389-V408 PolarHBondContact O-N 3.13Å; V391-V408 HydrophobicContact CB-CG2 4.46Å; V391-V408 HydrophobicContact CG2-CG2 3.53Å; I406-V408 PolarHBondContact O-N 2.94Å; V408-E410 PolarHBondContact O-N 3.31Å; V408-S411 PolarHBondContact O-N 3.01Å; V408-I412 HydrophobicContact CG1-CD1 3.73Å; V408-I412 WeakPolarHBondContact O-CD1 3.31Å; V408-I412 VanDerWaalsContact O-CG1 3.31Å; V408-I412 WeakPolarHBondContact O-CG1 3.21Å; V408-I412 PolarHBondContact O-N 2.97Å; V408-I412 VanDerWaalsContact O-N 3.1Å |
| 409 | T | 94 | Very high | 94.6 | Very high | 71 Ų | 71 | 29.6 Ų | 29.6 | 44% | 0.436 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | -176.3 | -53.1 | 0 | 0 | 0 | 0 | 112 | Q389 A413 | Q389-T409 PolarHBondContact OE1-OG1 3.41Å; T409-A413 VanDerWaalsContact O-CB 3.28Å; T409-A413 WeakPolarHBondContact O-CB 3.24Å; T409-A413 PolarHBondContact O-N 3.16Å |
| 410 | E | 94.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 29% | 0.29 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.5 | -36.5 | 179.9 | -65.7 | 175.7 | -117.2 | 0 | 0 | 112 | S407 V408 I412 A413 Q414 V418 | S407-E410 VanDerWaalsContact OG-CB 3.31Å; S407-E410 WeakPolarHBondContact OG-CB 3.38Å; S407-E410 WeakPolarHBondContact OG-CG 3.49Å; S407-E410 PolarHBondContact OG-N 3.44Å; S407-E410 PolarHBondContact OG-OE1 2.89Å; S407-E410 VanDerWaalsContact OG-OE1 3.09Å; V408-E410 PolarHBondContact O-N 3.31Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.36Å; E410-A413 PolarHBondContact O-N 2.88Å; E410-Q414 VanDerWaalsContact O-CB 3.29Å; E410-Q414 WeakPolarHBondContact O-CB 3.25Å; E410-Q414 VanDerWaalsContact O-CG 3.29Å; E410-Q414 WeakPolarHBondContact O-CG 3.48Å; E410-Q414 PolarHBondContact O-N 2.83Å; E410-V418 HydrophobicContact CB-CB 4.07Å; E410-V418 HydrophobicContact CB-CG1 4.19Å; E410-V418 HydrophobicContact CB-CG2 3.9Å |
| 411 | S | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | I354 S407 V408 S415 R416 V418 | I354-S411 WeakPolarHBondContact O-CB 3.08Å; S407-S411 WeakPolarHBondContact O-CB 3.5Å; S407-S411 PolarHBondContact O-N 2.89Å; S407-S411 VanDerWaalsContact O-N 3.15Å; S407-S411 PolarHBondContact O-OG 2.94Å; V408-S411 PolarHBondContact O-N 3.01Å; S411-S415 WeakPolarHBondContact O-CA 3.14Å; S411-S415 PolarHBondContact O-N 3.27Å; S411-R416 WeakPolarHBondContact CA-O 3.1Å; S411-R416 PolarHBondContact O-N 3.03Å; S411-R416 VanDerWaalsContact O-N 3.13Å; S411-V418 PolarHBondContact OG-N 3.38Å |
| 412 | I | 94.6 | Very high | 94.3 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 21% | 0.205 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -51.6 | 175.2 | -65.1 | 161.3 | 0 | 0 | 0 | 110.2 | Y321 E352 I354 V408 E410 Q414 S415 | Y321-I412 VanDerWaalsContact OH-CD1 3.29Å; Y321-I412 WeakPolarHBondContact OH-CD1 3.26Å; E352-I412 HydrophobicContact CB-CD1 4.39Å; E352-I412 HydrophobicContact CB-CG1 4.23Å; E352-I412 WeakPolarHBondContact OE2-CD1 2.97Å; I354-I412 HydrophobicContact CG1-CD1 4.21Å; I354-I412 HydrophobicContact CG1-CG1 4.15Å; V408-I412 HydrophobicContact CG1-CD1 3.73Å; V408-I412 WeakPolarHBondContact O-CD1 3.31Å; V408-I412 VanDerWaalsContact O-CG1 3.31Å; V408-I412 WeakPolarHBondContact O-CG1 3.21Å; V408-I412 PolarHBondContact O-N 2.97Å; V408-I412 VanDerWaalsContact O-N 3.1Å; E410-I412 VanDerWaalsContact C-N 3.3Å; E410-I412 PolarHBondContact O-N 3.36Å; I412-Q414 VanDerWaalsContact C-N 3.27Å; I412-Q414 PolarHBondContact O-N 3.01Å; I412-S415 PolarHBondContact O-N 3.39Å |
| 413 | A | 94.7 | Very high | 94 | Very high | 84 Ų | 84 | 31.5 Ų | 31.5 | 69% | 0.694 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -60.4 | -35.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | T409 E410 | T409-A413 VanDerWaalsContact O-CB 3.28Å; T409-A413 WeakPolarHBondContact O-CB 3.24Å; T409-A413 PolarHBondContact O-N 3.16Å; E410-A413 PolarHBondContact O-N 2.88Å |
| 414 | Q | 92.7 | Very high | 93.4 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 36% | 0.36 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -92.4 | -5.9 | 179 | -59.2 | 179.8 | 37.5 | 0 | 0 | 113 | E410 I412 R416 | E410-Q414 VanDerWaalsContact O-CB 3.29Å; E410-Q414 WeakPolarHBondContact O-CB 3.25Å; E410-Q414 VanDerWaalsContact O-CG 3.29Å; E410-Q414 WeakPolarHBondContact O-CG 3.48Å; E410-Q414 PolarHBondContact O-N 2.83Å; I412-Q414 VanDerWaalsContact C-N 3.27Å; I412-Q414 PolarHBondContact O-N 3.01Å; Q414-R416 HydrophobicContact CB-CG 3.82Å; Q414-R416 PolarHBondContact O-N 3.02Å; Q414-R416 VanDerWaalsContact O-N 3.15Å; Q414-R416 VanDerWaalsContact OE1-CZ 3.32Å |
| 415 | S | 90.9 | Very high | 92.8 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 73% | 0.727 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34 | -174.3 | -60.5 | 0 | 0 | 0 | 0 | 113 | S411 I412 | S411-S415 WeakPolarHBondContact O-CA 3.14Å; S411-S415 PolarHBondContact O-N 3.27Å; I412-S415 PolarHBondContact O-N 3.39Å |
| 416 | R | 91.5 | Very high | 92.1 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 32% | 0.317 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -152.3 | 150.6 | 177.5 | 69.8 | 179.9 | -178.2 | 153 | -2.1 | 109.7 | S366 S411 Q414 V418 | S366-R416 PolarHBondContact O-NH1 2.92Å; S366-R416 PolarHBondContact OG-NH1 3.46Å; S366-R416 VanDerWaalsContact OG-NH1 3.09Å; S411-R416 WeakPolarHBondContact CA-O 3.1Å; S411-R416 PolarHBondContact O-N 3.03Å; S411-R416 VanDerWaalsContact O-N 3.13Å; Q414-R416 HydrophobicContact CB-CG 3.82Å; Q414-R416 PolarHBondContact O-N 3.02Å; Q414-R416 VanDerWaalsContact O-N 3.15Å; Q414-R416 VanDerWaalsContact OE1-CZ 3.32Å; R416-V418 PolarHBondContact O-N 3.06Å |
| 417 | P | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -64.6 | 125.8 | 179.7 | -22.1 | 34.8 | 0 | 0 | 0 | 112.9 | V355 P356 I419 | V355-P417 HydrophobicContact CG1-CB 4.36Å; V355-P417 HydrophobicContact CG1-CG 4.1Å; V355-P417 HydrophobicContact CG2-CB 4.3Å; P356-P417 VanDerWaalsContact CD-CG 3.46Å; P356-P417 HydrophobicContact CG-CG 4.31Å; P417-I419 HydrophobicContact CB-CD1 3.71Å; P417-I419 HydrophobicContact CB-CG1 3.89Å | ||
| 418 | V | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | trans | -108 | 104.3 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 108 | T368 S407 E410 S411 R416 Y420 | T368-V418 HydrophobicContact CG2-CG1 4.14Å; S407-V418 PolarHBondContact N-O 2.81Å; E410-V418 HydrophobicContact CB-CB 4.07Å; E410-V418 HydrophobicContact CB-CG1 4.19Å; E410-V418 HydrophobicContact CB-CG2 3.9Å; S411-V418 PolarHBondContact OG-N 3.38Å; R416-V418 PolarHBondContact O-N 3.06Å; V418-Y420 HydrophobicContact CG1-CE2 3.84Å | ||
| 419 | I | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145 | -168.3 | -50.1 | 178.5 | 0 | 0 | 0 | 109.8 | V355 T368 I369 F372 L404 L405 I406 P417 | V355-I419 HydrophobicContact CG2-CD1 4.44Å; T368-I419 PolarHBondContact OG1-N 2.71Å; T368-I419 PolarHBondContact OG1-O 3.07Å; I369-I419 HydrophobicContact CD1-CB 4.01Å; I369-I419 HydrophobicContact CD1-CG2 3.73Å; I369-I419 HydrophobicContact CG1-CB 4.42Å; I369-I419 WeakPolarHBondContact CG2-O 3.36Å; F372-I419 HydrophobicContact CD1-CD1 3.8Å; F372-I419 HydrophobicContact CD2-CD1 4.27Å; F372-I419 HydrophobicContact CE1-CD1 3.39Å; F372-I419 HydrophobicContact CE2-CD1 3.92Å; F372-I419 HydrophobicContact CG-CD1 4.22Å; F372-I419 HydrophobicContact CZ-CD1 3.45Å; F372-I419 VanDerWaalsContact CZ-CD1 3.45Å; L404-I419 HydrophobicContact CB-CG2 4.04Å; L404-I419 HydrophobicContact CD1-CG2 4.38Å; L404-I419 HydrophobicContact CD2-CG2 4.15Å; L404-I419 HydrophobicContact CG-CG2 4.43Å; L405-I419 CarbonylContact O-C 3.55Å; L405-I419 WeakPolarHBondContact O-CA 3.44Å; I406-I419 HydrophobicContact CG1-CG1 4.27Å; I406-I419 HydrophobicContact CG1-CG2 4.22Å; P417-I419 HydrophobicContact CB-CD1 3.71Å; P417-I419 HydrophobicContact CB-CG1 3.89Å |
| 420 | Y | 93.1 | Very high | 86.3 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 12% | 0.122 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141 | 172.5 | -55.9 | -94.7 | 0 | 0 | 0 | 109.1 | Y390 L404 L405 V418 L474 | Y390-Y420 HydrophobicContact CE1-CE2 4.38Å; L404-Y420 WeakPolarHBondContact CA-O 3.44Å; L405-Y420 PolarHBondContact N-O 2.82Å; L405-Y420 PolarHBondContact O-N 3.26Å; V418-Y420 HydrophobicContact CG1-CE2 3.84Å; Y420-L474 HydrophobicContact CD1-CB 4.14Å; Y420-L474 HydrophobicContact CD1-CD2 4Å; Y420-L474 HydrophobicContact CD1-CG 4.16Å; Y420-L474 HydrophobicContact CD2-CD2 3.56Å; Y420-L474 HydrophobicContact CE1-CB 3.94Å; Y420-L474 HydrophobicContact CE1-CD2 4.04Å; Y420-L474 HydrophobicContact CE1-CG 4.34Å; Y420-L474 HydrophobicContact CE2-CD2 3.61Å; Y420-L474 HydrophobicContact CG-CD2 3.77Å; Y420-L474 HydrophobicContact CG-CG 4.25Å |
| 421 | K | 91.7 | Very high | 84 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 138 | 169.3 | -70.6 | -173.6 | 176.6 | -174.2 | 0 | 108.9 | I369 W397 V402 L404 | I369-K421 HydrophobicContact CD1-CG 4.31Å; I369-K421 HydrophobicContact CG2-CG 4.43Å; W397-K421 HydrophobicContact CZ3-CD 4.44Å; V402-K421 HydrophobicContact CG1-CD 4.38Å; V402-K421 HydrophobicContact CG1-CG 4.26Å; L404-K421 HydrophobicContact CD2-CG 3.95Å |
| 422 | L | 93.3 | Very high | 82 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 155.9 | 164.5 | -65.8 | -174.2 | 0 | 0 | 0 | 110.2 | G403 L405 K424 I440 L448 L478 | G403-L422 WeakPolarHBondContact O-CB 3.28Å; G403-L422 PolarHBondContact O-N 2.93Å; L405-L422 HydrophobicContact CB-CD2 4.47Å; L422-K424 PolarHBondContact O-N 3.09Å; L422-I440 HydrophobicContact CD1-CD1 3.83Å; L422-I440 HydrophobicContact CD1-CG1 4.42Å; L422-L448 HydrophobicContact CD1-CD2 3.34Å; L422-L478 HydrophobicContact CD2-CD2 4.29Å |
| 423 | P | 88.7 | Confident | 80 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -60 | 139.9 | -177.7 | -21.6 | 33.9 | 0 | 0 | 0 | 111 | L425 L478 W483 | P423-L425 PolarHBondContact O-N 2.8Å; P423-L478 HydrophobicContact CG-CB 3.97Å; P423-L478 WeakPolarHBondContact CG-O 3.29Å; P423-W483 PolarHBondContact O-NE1 3.2Å |
| 424 | K | 83.2 | Confident | 78.6 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 137 | 172.6 | -70.9 | -165.7 | 173.5 | -155.4 | 0 | 109.9 | E400 L422 Y426 | E400-K424 IonicContact OE1-NZ 3.21Å; L422-K424 PolarHBondContact O-N 3.09Å; K424-Y426 HydrophobicContact CB-CE2 4.04Å |
| 425 | L | 84.8 | Confident | 77.6 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | trans | -104.1 | 136.7 | 172.6 | -177.3 | 70 | 0 | 0 | 0 | 109.6 | P423 L427 S436 V452 A462 W483 I485 | P423-L425 PolarHBondContact O-N 2.8Å; L425-L427 HydrophobicContact CD2-CD2 4.01Å; L425-L427 HydrophobicContact CG-CD2 4.44Å; L425-S436 PolarHBondContact O-OG 3.21Å; L425-V452 HydrophobicContact CD2-CB 3.76Å; L425-V452 HydrophobicContact CD2-CG1 3.51Å; L425-V452 HydrophobicContact CD2-CG2 3.44Å; L425-V452 VanDerWaalsContact CD2-CG2 3.44Å; L425-V452 HydrophobicContact CG-CG2 4.44Å; L425-A462 HydrophobicContact CD2-CB 4.01Å; L425-W483 HydrophobicContact CD1-CB 3.57Å; L425-W483 HydrophobicContact CD1-CD2 4.31Å; L425-W483 HydrophobicContact CD1-CG 3.54Å; L425-I485 HydrophobicContact CD1-CD1 3.71Å; L425-I485 HydrophobicContact CD1-CG1 4.39Å; L425-I485 HydrophobicContact CD2-CD1 3.63Å; L425-I485 HydrophobicContact CG-CD1 4.27Å | ||
| 426 | Y | 81.7 | Confident | 77.5 | Confident | 114 Ų | 114 | 50.4 Ų | 50.4 | 45% | 0.447 | 28% | 0.279 | S | S | . | . | trans | -116.5 | 125.7 | 174.8 | -56.6 | -83.3 | 0 | 0 | 0 | 108.1 | K424 | K424-Y426 HydrophobicContact CB-CE2 4.04Š| ||
| 427 | L | 80.4 | Confident | 77.6 | Confident | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -90.7 | -2.2 | -177.3 | -66.4 | 175.8 | 0 | 0 | 0 | 113.3 | L425 V452 H457 L497 | L425-L427 HydrophobicContact CD2-CD2 4.01Å; L425-L427 HydrophobicContact CG-CD2 4.44Å; L427-V452 HydrophobicContact CD1-CG2 4.27Å; L427-V452 HydrophobicContact CD2-CG1 3.99Å; L427-H457 HydrophobicContact CB-CB 4.36Å; L427-H457 HydrophobicContact CD1-CB 3.54Å; L427-L497 HydrophobicContact CB-CD1 4.43Å; L427-L497 HydrophobicContact CD2-CD1 4.02Å | ||
| 428 | T | 70.4 | Confident | 77.6 | Confident | 33 Ų | 33 | 47 Ų | 47 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | trans | -102.4 | 143.4 | 179.1 | 75 | 0 | 0 | 0 | 0 | 112.1 | D430 T432 | T428-D430 WeakPolarHBondContact CB-OD1 3.46Å; T428-D430 PolarHBondContact OG1-OD1 2.78Å; T428-T432 PolarHBondContact OG1-O 3.32Å; T428-T432 PolarHBondContact OG1-OG1 2.76Å | ||
| 429 | S | 57 | Low | 77.7 | Confident | 136 Ų | 136 | 49.2 Ų | 49.2 | 95% | 0.951 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -81.9 | -17.6 | 174.9 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | G431 | S429-G431 VanDerWaalsContact C-N 3.3Å; S429-G431 PolarHBondContact O-N 3.21Å |
| 430 | D | 53.5 | Low | 77.8 | Confident | 111 Ų | 111 | 49.6 Ų | 49.6 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -84.1 | 0.2 | -173.4 | 61.9 | 2.2 | 0 | 0 | 0 | 114.1 | T428 T432 | T428-D430 WeakPolarHBondContact CB-OD1 3.46Å; T428-D430 PolarHBondContact OG1-OD1 2.78Å; D430-T432 PolarHBondContact O-N 3.09Å; D430-T432 WeakPolarHBondContact OD1-CG2 3.41Å; D430-T432 PolarHBondContact OD1-N 3.38Å; D430-T432 PolarHBondContact OD1-OG1 3.38Å; D430-T432 VanDerWaalsContact OD1-OG1 3.09Å; D430-T432 WeakPolarHBondContact OD2-CG2 3.3Å |
| 431 | G | 46.4 | Very low | 77.8 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | trans | 73.8 | 9.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | S429 T433 | S429-G431 VanDerWaalsContact C-N 3.3Å; S429-G431 PolarHBondContact O-N 3.21Å; G431-T433 PolarHBondContact O-N 2.95Å | ||
| 432 | T | 52.8 | Low | 78 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | trans | -60.6 | 123.3 | 168.9 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | T428 D430 L434 | T428-T432 PolarHBondContact OG1-O 3.32Å; T428-T432 PolarHBondContact OG1-OG1 2.76Å; D430-T432 PolarHBondContact O-N 3.09Å; D430-T432 WeakPolarHBondContact OD1-CG2 3.41Å; D430-T432 PolarHBondContact OD1-N 3.38Å; D430-T432 PolarHBondContact OD1-OG1 3.38Å; D430-T432 VanDerWaalsContact OD1-OG1 3.09Å; D430-T432 WeakPolarHBondContact OD2-CG2 3.3Å; T432-L434 PolarHBondContact O-N 3.41Å | ||
| 433 | T | 52.8 | Low | 78.1 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 71% | 0.712 | 27% | 0.274 | S | S | * | . | trans | -79.3 | 25.5 | -168.5 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | G431 S435 | G431-T433 PolarHBondContact O-N 2.95Å; T433-S435 PolarHBondContact O-N 2.96Å | ||
| 434 | L | 65.5 | Low | 78.3 | Confident | 56 Ų | 56 | 50 Ų | 50 | 29% | 0.293 | 29% | 0.286 | S | S | . | . | trans | -79.9 | 118.2 | -175.9 | -69.4 | 173.4 | 0 | 0 | 0 | 109.8 | T432 W505 | T432-L434 PolarHBondContact O-N 3.41Å; L434-W505 HydrophobicContact CB-CH2 4.35Å; L434-W505 HydrophobicContact CB-CZ2 3.67Å; L434-W505 HydrophobicContact CD2-CZ2 4.42Å; L434-W505 HydrophobicContact CG-CZ2 4.47Å | ||
| 435 | S | 71.6 | Confident | 78.6 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -65.9 | 153.3 | -174.3 | -160.8 | 0 | 0 | 0 | 0 | 112.1 | E400 T433 W505 | E400-S435 VanDerWaalsContact CD-OG 3.25Å; E400-S435 WeakPolarHBondContact OE1-CB 3.39Å; E400-S435 PolarHBondContact OE1-OG 3.43Å; T433-S435 PolarHBondContact O-N 2.96Å; S435-W505 WeakPolarHBondContact O-CH2 3.18Å; S435-W505 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 436 | S | 87.8 | Confident | 79.1 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | trans | -112.6 | 149.2 | 174.3 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | L425 V452 S453 | L425-S436 PolarHBondContact O-OG 3.21Å; S436-V452 VanDerWaalsContact CB-CG2 3.45Å; S436-V452 WeakPolarHBondContact OG-CG2 3.39Å; S436-S453 WeakPolarHBondContact CA-O 3.28Å; S436-S453 WeakPolarHBondContact CB-O 3.36Å | ||
| 437 | S | 93.9 | Very high | 79.6 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 126.6 | 169.7 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | V401 V452 S453 A577 S578 | V401-S437 PolarHBondContact N-OG 3.2Å; S437-V452 WeakPolarHBondContact O-CA 3.46Å; S437-S453 PolarHBondContact N-O 3.39Å; S437-S453 PolarHBondContact O-N 3.11Å; S437-S453 VanDerWaalsContact O-N 3.11Å; S437-A577 PolarHBondContact OG-O 3.19Å; S437-A577 VanDerWaalsContact OG-O 3.1Å; S437-S578 WeakPolarHBondContact CB-OG 3.32Å; S437-S578 PolarHBondContact OG-OG 2.88Å |
| 438 | L | 94.3 | Very high | 80.4 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.5 | -177.8 | -176.2 | 148.8 | 0 | 0 | 0 | 110.7 | V401 I440 A450 S451 W483 | V401-L438 CarbonylContact C-O 3.58Å; V401-L438 VanDerWaalsContact CG1-O 3.31Å; V401-L438 WeakPolarHBondContact CG1-O 3.31Å; V401-L438 PolarHBondContact O-N 3.41Å; L438-I440 HydrophobicContact CD2-CG1 3.97Å; L438-A450 HydrophobicContact CD1-CB 4.36Å; L438-A450 HydrophobicContact CD2-CB 3.89Å; L438-A450 HydrophobicContact CG-CB 3.92Å; L438-S451 WeakPolarHBondContact CA-O 3.31Å; L438-W483 HydrophobicContact CD1-CH2 3.49Å; L438-W483 VanDerWaalsContact CD1-CH2 3.49Å; L438-W483 HydrophobicContact CD1-CZ2 3.72Å; L438-W483 HydrophobicContact CD1-CZ3 4.09Å |
| 439 | S | 94.6 | Very high | 81.6 | Confident | 46 Ų | 46 | 39.5 Ų | 39.5 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.9 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | S394 L441 A450 S451 | S394-S439 WeakPolarHBondContact OG-CA 3.25Å; S439-L441 PolarHBondContact O-N 3.46Å; S439-A450 CarbonylContact O-C 3.53Å; S439-A450 WeakPolarHBondContact O-CA 3.36Å; S439-A450 WeakPolarHBondContact O-CB 3.24Å; S439-S451 PolarHBondContact N-O 2.98Å; S439-S451 PolarHBondContact O-N 3.41Å |
| 440 | I | 95.8 | Very high | 83.4 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 128.6 | 168.6 | -56 | -176.2 | 0 | 0 | 0 | 109.6 | L392 S394 L422 L438 V443 L448 | L392-I440 HydrophobicContact CB-CD1 3.88Å; L392-I440 HydrophobicContact CD2-CD1 4.37Å; S394-I440 WeakPolarHBondContact OG-CA 3.22Å; S394-I440 WeakPolarHBondContact OG-CB 3.31Å; S394-I440 PolarHBondContact OG-N 3.01Å; S394-I440 PolarHBondContact OG-O 3.5Å; L422-I440 HydrophobicContact CD1-CD1 3.83Å; L422-I440 HydrophobicContact CD1-CG1 4.42Å; L438-I440 HydrophobicContact CD2-CG1 3.97Å; I440-V443 HydrophobicContact CG2-CG2 4.05Å; I440-L448 HydrophobicContact CB-CD1 4.02Å; I440-L448 HydrophobicContact CD1-CD1 4.07Å; I440-L448 HydrophobicContact CG1-CD1 3.84Å; I440-L448 HydrophobicContact CG2-CD1 3.38Å |
| 441 | L | 94.2 | Very high | 85.3 | Confident | 52 Ų | 52 | 28.3 Ų | 28.3 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -36.3 | 180 | -62.2 | 176.1 | 0 | 0 | 0 | 112.3 | L19 I22 S439 V449 | L19-L441 HydrophobicContact CD2-CD1 3.21Å; L19-L441 HydrophobicContact CG-CD1 3.86Å; I22-L441 HydrophobicContact CB-CD1 4.39Å; I22-L441 HydrophobicContact CG2-CB 3.33Å; I22-L441 HydrophobicContact CG2-CD1 3.43Å; I22-L441 VanDerWaalsContact CG2-CD1 3.43Å; I22-L441 HydrophobicContact CG2-CG 4.02Å; S439-L441 PolarHBondContact O-N 3.46Å; L441-V449 PolarHBondContact N-O 3.23Å |
| 442 | D | 95.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 148.6 | -179.2 | -168.8 | 43 | 0 | 0 | 0 | 111.9 | I22 K23 V24 R382 V449 | I22-D442 WeakPolarHBondContact O-CB 3.47Å; K23-D442 VanDerWaalsContact CA-OD2 3.29Å; K23-D442 WeakPolarHBondContact CA-OD2 3.43Å; V24-D442 VanDerWaalsContact CG1-OD2 3.23Å; V24-D442 WeakPolarHBondContact CG1-OD2 3.35Å; V24-D442 PolarHBondContact N-OD2 2.92Å; R382-D442 WeakPolarHBondContact CB-OD1 3.25Å; R382-D442 IonicContact CZ-OD1 3.18Å; R382-D442 IonicContact CZ-OD2 3.15Å; R382-D442 IonicContact NE-OD1 3.81Å; R382-D442 PolarHBondContact NE-OD1 3.12Å; R382-D442 IonicContact NE-OD2 3.1Å; R382-D442 IonicContact NH2-OD1 2.91Å; R382-D442 PolarHBondContact NH2-OD1 3.26Å; R382-D442 IonicContact NH2-OD2 3.14Å; R382-D442 PolarHBondContact NH2-OD2 3.21Å; D442-V449 PolarHBondContact N-O 3.03Å; D442-V449 PolarHBondContact O-N 3.47Å |
| 443 | V | 95.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 125.2 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | R382 L392 I440 I447 L448 | R382-V443 WeakPolarHBondContact CB-O 3.46Å; R382-V443 PolarHBondContact O-N 3.36Å; L392-V443 HydrophobicContact CB-CG2 4.09Å; L392-V443 HydrophobicContact CD1-CG1 4.3Å; L392-V443 HydrophobicContact CD1-CG2 4.38Å; L392-V443 HydrophobicContact CD2-CG2 3.94Å; L392-V443 HydrophobicContact CG-CG2 4.35Å; I440-V443 HydrophobicContact CG2-CG2 4.05Å; V443-I447 WeakPolarHBondContact CA-O 3.28Å; V443-L448 HydrophobicContact CG2-CD1 3.71Å |
| 444 | Y | 92.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 17.4 Ų | 17.4 | 31% | 0.314 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 132.4 | 176.3 | -176.5 | -103.8 | 0 | 0 | 0 | 111.3 | K26 D446 I447 | K26-Y444 HydrophobicContact CB-CE1 3.91Å; Y444-D446 PolarHBondContact O-N 3.3Å; Y444-D446 VanDerWaalsContact O-N 3.17Å; Y444-I447 PolarHBondContact N-O 2.82Å; Y444-I447 WeakPolarHBondContact O-CB 3.32Å; Y444-I447 PolarHBondContact O-N 3.14Å |
| 445 | D | 91.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 15 Ų | 15 | 19% | 0.187 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 37 | -179 | -166.1 | 27.3 | 0 | 0 | 0 | 112.3 | K26 Y36 S386 I447 K467 | K26-D445 WeakPolarHBondContact CD-OD2 3.42Å; K26-D445 IonicContact NZ-OD2 2.91Å; K26-D445 PolarHBondContact NZ-OD2 3.11Å; Y36-D445 HydrophobicContact CE1-CB 3.98Å; Y36-D445 PolarHBondContact OH-OD2 3.21Å; S386-D445 VanDerWaalsContact OG-C 3.26Å; S386-D445 WeakPolarHBondContact OG-CA 3.45Å; D445-I447 PolarHBondContact O-N 2.74Å; D445-K467 VanDerWaalsContact O-CE 3.27Å; D445-K467 WeakPolarHBondContact O-CE 3.21Å; D445-K467 PolarHBondContact O-NZ 3.31Å; D445-K467 IonicContact OD1-NZ 2.7Å; D445-K467 PolarHBondContact OD1-NZ 2.77Å; D445-K467 IonicContact OD2-NZ 2.69Å; D445-K467 PolarHBondContact OD2-NZ 3.22Å |
| 446 | D | 93.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 15.2 Ų | 15.2 | 14% | 0.139 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 21.1 | -174.7 | -52.2 | -35.5 | 0 | 0 | 0 | 115 | S386 Y444 L466 K467 | S386-D446 VanDerWaalsContact CB-OD1 3.3Å; S386-D446 WeakPolarHBondContact CB-OD1 3.33Å; S386-D446 PolarHBondContact N-OD1 3.14Å; S386-D446 PolarHBondContact OG-N 3.32Å; S386-D446 PolarHBondContact OG-OD1 3.47Å; S386-D446 PolarHBondContact OG-OD2 2.91Å; Y444-D446 PolarHBondContact O-N 3.3Å; Y444-D446 VanDerWaalsContact O-N 3.17Å; D446-L466 HydrophobicContact CB-CB 4.1Å; D446-L466 WeakPolarHBondContact O-CA 3.26Å; D446-L466 VanDerWaalsContact O-CB 3.28Å; D446-L466 WeakPolarHBondContact O-CB 3.28Å; D446-L466 PolarHBondContact O-N 2.65Å; D446-K467 HydrophobicContact CB-CG 3.92Å |
| 447 | I | 94.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.015 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.4 | 166.2 | -53.8 | -53.3 | 0 | 0 | 0 | 108.1 | V24 Y36 L63 V443 Y444 D445 V463 N465 | V24-I447 HydrophobicContact CG2-CB 4.05Å; V24-I447 HydrophobicContact CG2-CG2 3.92Å; Y36-I447 HydrophobicContact CD1-CG1 3.86Å; Y36-I447 HydrophobicContact CD2-CG1 4.28Å; Y36-I447 HydrophobicContact CE1-CG1 3.71Å; Y36-I447 HydrophobicContact CE2-CD1 4.44Å; Y36-I447 HydrophobicContact CE2-CG1 4.17Å; Y36-I447 HydrophobicContact CG-CG1 4.15Å; L63-I447 HydrophobicContact CD1-CD1 4.13Å; L63-I447 HydrophobicContact CD2-CD1 3.52Å; L63-I447 HydrophobicContact CG-CD1 4.25Å; V443-I447 WeakPolarHBondContact CA-O 3.28Å; Y444-I447 PolarHBondContact N-O 2.82Å; Y444-I447 WeakPolarHBondContact O-CB 3.32Å; Y444-I447 PolarHBondContact O-N 3.14Å; D445-I447 PolarHBondContact O-N 2.74Å; I447-V463 HydrophobicContact CG2-CG1 3.76Å; I447-N465 HydrophobicContact CD1-CB 4.37Å |
| 448 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.3 | 176.1 | 167.4 | 67.8 | 0 | 0 | 0 | 109.4 | L392 L422 I440 V443 V463 L464 L466 W483 | L392-L448 HydrophobicContact CD2-CD1 4.16Å; L392-L448 HydrophobicContact CD2-CD2 4.38Å; L422-L448 HydrophobicContact CD1-CD2 3.34Å; I440-L448 HydrophobicContact CB-CD1 4.02Å; I440-L448 HydrophobicContact CD1-CD1 4.07Å; I440-L448 HydrophobicContact CG1-CD1 3.84Å; I440-L448 HydrophobicContact CG2-CD1 3.38Å; V443-L448 HydrophobicContact CG2-CD1 3.71Å; L448-V463 VanDerWaalsContact O-CA 3.31Å; L448-V463 WeakPolarHBondContact O-CA 3.45Å; L448-L464 HydrophobicContact CB-CB 4.28Å; L448-L464 HydrophobicContact CD2-CB 4.25Å; L448-L464 HydrophobicContact CD2-CD2 4.32Å; L448-L464 PolarHBondContact N-O 3.39Å; L448-L464 PolarHBondContact O-N 3.06Å; L448-L466 HydrophobicContact CB-CD1 3.96Å; L448-L466 HydrophobicContact CB-CG 4.48Å; L448-L466 HydrophobicContact CD2-CD1 4.49Å; L448-W483 HydrophobicContact CD2-CH2 3.89Å; L448-W483 HydrophobicContact CD2-CZ3 4.24Å |
| 449 | V | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.5 | 168.2 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | I22 V24 I38 L441 D442 I461 A462 V463 | I22-V449 HydrophobicContact CD1-CG1 3.37Å; I22-V449 HydrophobicContact CG1-CG1 3.81Å; I22-V449 HydrophobicContact CG2-CB 4.34Å; I22-V449 HydrophobicContact CG2-CG1 3.91Å; V24-V449 HydrophobicContact CB-CG2 3.87Å; V24-V449 HydrophobicContact CG1-CG2 3.95Å; I38-V449 HydrophobicContact CD1-CG2 4.11Å; I38-V449 HydrophobicContact CG1-CG2 4.42Å; I38-V449 HydrophobicContact CG2-CG1 4.36Å; I38-V449 HydrophobicContact CG2-CG2 4.4Å; L441-V449 PolarHBondContact N-O 3.23Å; D442-V449 PolarHBondContact N-O 3.03Å; D442-V449 PolarHBondContact O-N 3.47Å; V449-I461 HydrophobicContact CG1-CG2 3.56Å; V449-A462 WeakPolarHBondContact CA-O 3.43Å; V449-V463 HydrophobicContact CG1-CG2 4.43Å; V449-V463 HydrophobicContact CG2-CG1 4.44Å; V449-V463 HydrophobicContact CG2-CG2 4.49Å |
| 450 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L438 S439 I461 A462 | L438-A450 HydrophobicContact CD1-CB 4.36Å; L438-A450 HydrophobicContact CD2-CB 3.89Å; L438-A450 HydrophobicContact CG-CB 3.92Å; S439-A450 CarbonylContact O-C 3.53Å; S439-A450 WeakPolarHBondContact O-CA 3.36Å; S439-A450 WeakPolarHBondContact O-CB 3.24Å; A450-I461 CarbonylContact O-C 3.54Å; A450-I461 WeakPolarHBondContact O-CA 3.2Å; A450-A462 PolarHBondContact N-O 2.86Å; A450-A462 PolarHBondContact O-N 3.3Å |
| 451 | S | 93.3 | Very high | 92.9 | Very high | 12 Ų | 12 | 13.7 Ų | 13.7 | 8% | 0.084 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.5 | 162 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | L438 S439 H459 H460 | L438-S451 WeakPolarHBondContact CA-O 3.31Å; S439-S451 PolarHBondContact N-O 2.98Å; S439-S451 PolarHBondContact O-N 3.41Å; S451-H459 PolarHBondContact OG-ND1 2.93Å; S451-H460 WeakPolarHBondContact CA-O 3.35Å |
| 452 | V | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.3 | 177 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | L425 L427 S436 S437 H459 H460 A462 | L425-V452 HydrophobicContact CD2-CB 3.76Å; L425-V452 HydrophobicContact CD2-CG1 3.51Å; L425-V452 HydrophobicContact CD2-CG2 3.44Å; L425-V452 VanDerWaalsContact CD2-CG2 3.44Å; L425-V452 HydrophobicContact CG-CG2 4.44Å; L427-V452 HydrophobicContact CD1-CG2 4.27Å; L427-V452 HydrophobicContact CD2-CG1 3.99Å; S436-V452 VanDerWaalsContact CB-CG2 3.45Å; S436-V452 WeakPolarHBondContact OG-CG2 3.39Å; S437-V452 WeakPolarHBondContact O-CA 3.46Å; V452-H459 WeakPolarHBondContact O-CA 3.42Å; V452-H460 HydrophobicContact CG1-CB 3.93Å; V452-H460 PolarHBondContact N-O 2.84Å; V452-H460 PolarHBondContact O-N 2.75Å; V452-A462 HydrophobicContact CB-CB 4.42Å; V452-A462 HydrophobicContact CG1-CB 3.97Å |
| 453 | S | 93.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.007 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 167.3 | 176.9 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | S436 S437 H457 H459 S578 W579 | S436-S453 WeakPolarHBondContact CA-O 3.28Å; S436-S453 WeakPolarHBondContact CB-O 3.36Å; S437-S453 PolarHBondContact N-O 3.39Å; S437-S453 PolarHBondContact O-N 3.11Å; S437-S453 VanDerWaalsContact O-N 3.11Å; S453-H457 WeakPolarHBondContact CB-O 3.47Å; S453-H459 PolarHBondContact OG-CE1 3.24Å; S453-S578 WeakPolarHBondContact OG-CA 3.37Å; S453-S578 VanDerWaalsContact OG-CB 3.25Å; S453-S578 WeakPolarHBondContact OG-CB 3.45Å; S453-W579 PolarHBondContact OG-N 3.01Å |
| 454 | S | 93.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 11 Ų | 11 | 4% | 0.035 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 173.3 | 167.6 | 83.5 | 0 | 0 | 0 | 0 | 109.8 | I456 H457 W579 | S454-I456 PolarHBondContact O-N 2.96Å; S454-I456 WeakPolarHBondContact OG-CG1 3.36Å; S454-I456 PolarHBondContact OG-N 3.15Å; S454-H457 PolarHBondContact N-O 3.02Å; S454-H457 PolarHBondContact O-N 3.02Å; S454-H457 VanDerWaalsContact O-N 3.14Å; S454-H457 PolarHBondContact OG-N 3.18Å; S454-H457 PolarHBondContact OG-ND1 3.2Å; S454-W579 VanDerWaalsContact O-CA 3.32Å; S454-W579 WeakPolarHBondContact O-CA 3.49Å; S454-W579 PolarHBondContact O-N 3.44Å |
| 455 | P | 94.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 7.7 Ų | 7.7 | 4% | 0.039 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.7 | 177.7 | -28.5 | 38.1 | 0 | 0 | 0 | 114.7 | W505 V528 A577 | P455-W505 HydrophobicContact CB-CB 4.4Å; P455-W505 HydrophobicContact CB-CG 4.06Å; P455-W505 HydrophobicContact CG-CB 4.37Å; P455-W505 HydrophobicContact CG-CD2 3.82Å; P455-W505 HydrophobicContact CG-CE3 4.32Å; P455-W505 HydrophobicContact CG-CG 3.83Å; P455-V528 HydrophobicContact CB-CG1 4.21Å; P455-V528 HydrophobicContact CB-CG2 4.04Å; P455-V528 HydrophobicContact CG-CG2 4.35Å; P455-A577 HydrophobicContact CG-CB 3.99Å |
| 456 | I | 92.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 6.3 Ų | 6.3 | 9% | 0.092 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | -5.2 | -179.5 | 61.1 | 167.8 | 0 | 0 | 0 | 114.1 | S454 S499 L500 I503 | S454-I456 PolarHBondContact O-N 2.96Å; S454-I456 WeakPolarHBondContact OG-CG1 3.36Å; S454-I456 PolarHBondContact OG-N 3.15Å; I456-S499 CarbonylContact O-C 3.13Å; I456-S499 WeakPolarHBondContact O-CA 3.35Å; I456-L500 HydrophobicContact CB-CB 4.43Å; I456-L500 PolarHBondContact O-N 2.82Å; I456-I503 HydrophobicContact CG2-CB 3.81Å; I456-I503 HydrophobicContact CG2-CG2 3.74Å |
| 457 | H | 90.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 6 Ų | 6 | 3% | 0.032 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.2 | 175.4 | -59.4 | 97 | 0 | 0 | 0 | 110.1 | L427 S453 S454 S499 | L427-H457 HydrophobicContact CB-CB 4.36Å; L427-H457 HydrophobicContact CD1-CB 3.54Å; S453-H457 WeakPolarHBondContact CB-O 3.47Å; S454-H457 PolarHBondContact N-O 3.02Å; S454-H457 PolarHBondContact O-N 3.02Å; S454-H457 VanDerWaalsContact O-N 3.14Å; S454-H457 PolarHBondContact OG-N 3.18Å; S454-H457 PolarHBondContact OG-ND1 3.2Å; H457-S499 PolarHBondContact CD2-OG 2.82Å; H457-S499 PolarHBondContact NE2-OG 2.84Å |
| 458 | P | 89.9 | Confident | 92.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 176.1 | 175.7 | 32.2 | -35.9 | 0 | 0 | 0 | 111.8 | T16 H460 R498 F546 W579 | T16-P458 HydrophobicContact CG2-CB 3.91Å; T16-P458 HydrophobicContact CG2-CG 4.47Å; P458-H460 PolarHBondContact O-CD2 3.09Å; P458-H460 PolarHBondContact O-N 3.31Å; P458-R498 VanDerWaalsContact CD-O 3.26Å; P458-R498 WeakPolarHBondContact CD-O 3.23Å; P458-R498 HydrophobicContact CG-CB 4.16Å; P458-F546 HydrophobicContact CG-CE1 4.06Å; P458-F546 HydrophobicContact CG-CZ 4.4Å; P458-W579 HydrophobicContact CB-CD2 4.08Å; P458-W579 HydrophobicContact CB-CG 4.18Å |
| 459 | H | 89.3 | Confident | 91.9 | Very high | 37 Ų | 37 | 15.1 Ų | 15.1 | 17% | 0.171 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 121.7 | 179.5 | -68.4 | -77 | 0 | 0 | 0 | 111.9 | S451 V452 S453 | S451-H459 PolarHBondContact OG-ND1 2.93Å; V452-H459 WeakPolarHBondContact O-CA 3.42Å; S453-H459 PolarHBondContact OG-CE1 3.24Å |
| 460 | H | 88.7 | Confident | 91.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 157.1 | 170.7 | -64.5 | -69 | 0 | 0 | 0 | 110.4 | S451 V452 P458 I485 | S451-H460 WeakPolarHBondContact CA-O 3.35Å; V452-H460 HydrophobicContact CG1-CB 3.93Å; V452-H460 PolarHBondContact N-O 2.84Å; V452-H460 PolarHBondContact O-N 2.75Å; P458-H460 PolarHBondContact O-CD2 3.09Å; P458-H460 PolarHBondContact O-N 3.31Å; H460-I485 HydrophobicContact CB-CG2 4.01Å |
| 461 | I | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.3 | 169.5 | -62.4 | 161.2 | 0 | 0 | 0 | 107.7 | L19 I22 W42 Y59 V449 A450 V463 I485 L486 | L19-I461 HydrophobicContact CD1-CD1 4.48Å; L19-I461 HydrophobicContact CD1-CG1 4.45Å; L19-I461 HydrophobicContact CD2-CG1 3.78Å; I22-I461 HydrophobicContact CD1-CB 4.3Å; I22-I461 HydrophobicContact CD1-CD1 3.49Å; I22-I461 VanDerWaalsContact CD1-CD1 3.49Å; I22-I461 HydrophobicContact CD1-CG1 3.63Å; I22-I461 HydrophobicContact CD1-CG2 3.66Å; W42-I461 HydrophobicContact CH2-CD1 4.39Å; W42-I461 HydrophobicContact CH2-CG1 4.16Å; W42-I461 HydrophobicContact CZ2-CD1 3.56Å; W42-I461 HydrophobicContact CZ2-CG1 3.82Å; Y59-I461 HydrophobicContact CE2-CD1 3.85Å; V449-I461 HydrophobicContact CG1-CG2 3.56Å; A450-I461 CarbonylContact O-C 3.54Å; A450-I461 WeakPolarHBondContact O-CA 3.2Å; I461-V463 HydrophobicContact CG2-CG2 4Å; I461-I485 WeakPolarHBondContact O-CA 3.25Å; I461-L486 HydrophobicContact CB-CB 4.07Å; I461-L486 HydrophobicContact CB-CD1 4.5Å; I461-L486 HydrophobicContact CG2-CD1 4.07Å; I461-L486 HydrophobicContact CG2-CG 4.48Å; I461-L486 PolarHBondContact N-O 3.4Å; I461-L486 VanDerWaalsContact N-O 3.08Å; I461-L486 PolarHBondContact O-N 2.96Å |
| 462 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L425 V449 A450 V452 W483 L484 I485 | L425-A462 HydrophobicContact CD2-CB 4.01Å; V449-A462 WeakPolarHBondContact CA-O 3.43Å; A450-A462 PolarHBondContact N-O 2.86Å; A450-A462 PolarHBondContact O-N 3.3Å; V452-A462 HydrophobicContact CB-CB 4.42Å; V452-A462 HydrophobicContact CG1-CB 3.97Å; A462-W483 HydrophobicContact CB-CE3 3.74Å; A462-W483 HydrophobicContact CB-CZ3 4Å; A462-L484 CarbonylContact C-O 3.37Å; A462-L484 WeakPolarHBondContact CA-O 3.39Å; A462-I485 HydrophobicContact CB-CD1 3.79Å |
| 463 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.3 | -180 | -171.3 | 0 | 0 | 0 | 0 | 109 | I38 L72 I447 L448 V449 I461 L484 L486 | I38-V463 HydrophobicContact CD1-CB 4.38Å; I38-V463 HydrophobicContact CD1-CG1 3.91Å; I38-V463 HydrophobicContact CD1-CG2 3.52Å; L72-V463 HydrophobicContact CD1-CB 4.17Å; L72-V463 HydrophobicContact CD1-CG1 3.85Å; I447-V463 HydrophobicContact CG2-CG1 3.76Å; L448-V463 VanDerWaalsContact O-CA 3.31Å; L448-V463 WeakPolarHBondContact O-CA 3.45Å; V449-V463 HydrophobicContact CG1-CG2 4.43Å; V449-V463 HydrophobicContact CG2-CG1 4.44Å; V449-V463 HydrophobicContact CG2-CG2 4.49Å; I461-V463 HydrophobicContact CG2-CG2 4Å; V463-L484 HydrophobicContact CB-CB 4.19Å; V463-L484 HydrophobicContact CB-CD2 4.38Å; V463-L484 HydrophobicContact CB-CG 4.5Å; V463-L484 HydrophobicContact CG2-CD2 4.5Å; V463-L484 PolarHBondContact N-O 3.28Å; V463-L484 PolarHBondContact O-N 2.92Å; V463-L486 HydrophobicContact CG2-CD1 4.04Å; V463-L486 HydrophobicContact CG2-CG 4.48Å |
| 464 | L | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.1 | 178 | -172.5 | 66.4 | 0 | 0 | 0 | 110.7 | L448 L466 R481 W483 | L448-L464 HydrophobicContact CB-CB 4.28Å; L448-L464 HydrophobicContact CD2-CB 4.25Å; L448-L464 HydrophobicContact CD2-CD2 4.32Å; L448-L464 PolarHBondContact N-O 3.39Å; L448-L464 PolarHBondContact O-N 3.06Å; L464-L466 HydrophobicContact CD2-CD2 3.63Å; L464-L466 HydrophobicContact CD2-CG 4.39Å; L464-L466 HydrophobicContact CG-CD2 4.01Å; L464-L466 HydrophobicContact CG-CG 4.45Å; L464-R481 HydrophobicContact CD1-CB 3.77Å; L464-W483 HydrophobicContact CB-CD2 4.28Å; L464-W483 HydrophobicContact CB-CE3 3.65Å; L464-W483 HydrophobicContact CB-CH2 3.83Å; L464-W483 HydrophobicContact CB-CZ2 4.44Å; L464-W483 HydrophobicContact CB-CZ3 3.42Å; L464-W483 VanDerWaalsContact CB-CZ3 3.42Å; L464-W483 HydrophobicContact CD1-CD2 4.13Å; L464-W483 HydrophobicContact CD1-CE3 4.34Å; L464-W483 HydrophobicContact CD2-CH2 3.7Å; L464-W483 HydrophobicContact CD2-CZ2 3.75Å; L464-W483 HydrophobicContact CD2-CZ3 4.19Å; L464-W483 HydrophobicContact CG-CE3 4.43Å; L464-W483 HydrophobicContact CG-CH2 4.3Å; L464-W483 HydrophobicContact CG-CZ3 4.3Å |
| 465 | N | 93.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.059 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115.7 | 171.9 | 175.9 | 20.3 | 0 | 0 | 0 | 110 | L63 L72 I447 K467 R481 | L63-N465 HydrophobicContact CD2-CB 3.88Å; L72-N465 HydrophobicContact CD2-CB 4.35Å; I447-N465 HydrophobicContact CD1-CB 4.37Å; N465-K467 VanDerWaalsContact OD1-CB 3.3Å; N465-K467 WeakPolarHBondContact OD1-CB 3.42Å; N465-K467 PolarHBondContact OD1-N 3.47Å; N465-R481 WeakPolarHBondContact O-CD 3.48Å; N465-R481 PolarHBondContact O-NH1 2.62Å |
| 466 | L | 92.5 | Very high | 89.2 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | trans | -106.8 | 15.7 | 175.9 | -58.1 | 173.6 | 0 | 0 | 0 | 112.4 | L392 D446 L448 L464 L469 L478 | L392-L466 HydrophobicContact CD2-CD1 3.52Å; D446-L466 HydrophobicContact CB-CB 4.1Å; D446-L466 WeakPolarHBondContact O-CA 3.26Å; D446-L466 VanDerWaalsContact O-CB 3.28Å; D446-L466 WeakPolarHBondContact O-CB 3.28Å; D446-L466 PolarHBondContact O-N 2.65Å; L448-L466 HydrophobicContact CB-CD1 3.96Å; L448-L466 HydrophobicContact CB-CG 4.48Å; L448-L466 HydrophobicContact CD2-CD1 4.49Å; L464-L466 HydrophobicContact CD2-CD2 3.63Å; L464-L466 HydrophobicContact CD2-CG 4.39Å; L464-L466 HydrophobicContact CG-CD2 4.01Å; L464-L466 HydrophobicContact CG-CG 4.45Å; L466-L469 HydrophobicContact CB-CD1 4.4Å; L466-L469 HydrophobicContact CB-CD2 4.47Å; L466-L469 HydrophobicContact CD2-CD2 4.2Å; L466-L469 VanDerWaalsContact O-CG 3.32Å; L466-L469 WeakPolarHBondContact O-CG 2.88Å; L466-L478 HydrophobicContact CD2-CD2 3.72Å | ||
| 467 | K | 89.5 | Confident | 89.1 | Confident | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 144.3 | 174.8 | -71.1 | -168.7 | 174.2 | -59.5 | 0 | 111.5 | Y36 L63 D445 D446 N465 L469 R481 | Y36-K467 WeakPolarHBondContact OH-CE 3.3Å; L63-K467 HydrophobicContact CD1-CD 3.73Å; D445-K467 VanDerWaalsContact O-CE 3.27Å; D445-K467 WeakPolarHBondContact O-CE 3.21Å; D445-K467 PolarHBondContact O-NZ 3.31Å; D445-K467 IonicContact OD1-NZ 2.7Å; D445-K467 PolarHBondContact OD1-NZ 2.77Å; D445-K467 IonicContact OD2-NZ 2.69Å; D445-K467 PolarHBondContact OD2-NZ 3.22Å; D446-K467 HydrophobicContact CB-CG 3.92Å; N465-K467 VanDerWaalsContact OD1-CB 3.3Å; N465-K467 WeakPolarHBondContact OD1-CB 3.42Å; N465-K467 PolarHBondContact OD1-N 3.47Å; K467-L469 PolarHBondContact O-N 2.73Å; K467-R481 PolarHBondContact O-NH1 2.99Å; K467-R481 PolarHBondContact O-NH2 3.23Å |
| 468 | Y | 86.4 | Confident | 89.1 | Confident | 180 Ų | 180 | 35.8 Ų | 35.8 | 71% | 0.706 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 45.8 | 173.2 | -44.5 | -69.5 | 0 | 0 | 0 | 113 | I68 N470 R481 | I68-Y468 HydrophobicContact CG2-CD2 3.87Å; Y468-N470 PolarHBondContact O-N 2.82Å; Y468-R481 PolarHBondContact O-NH2 2.9Å |
| 469 | L | 87.3 | Confident | 89 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | trans | -56.3 | 134.4 | 177.8 | -70.8 | 168.1 | 0 | 0 | 0 | 111.3 | L405 L466 K467 Y471 L474 D477 L478 | L405-L469 HydrophobicContact CD2-CD1 4.19Å; L466-L469 HydrophobicContact CB-CD1 4.4Å; L466-L469 HydrophobicContact CB-CD2 4.47Å; L466-L469 HydrophobicContact CD2-CD2 4.2Å; L466-L469 VanDerWaalsContact O-CG 3.32Å; L466-L469 WeakPolarHBondContact O-CG 2.88Å; K467-L469 PolarHBondContact O-N 2.73Å; L469-Y471 HydrophobicContact CB-CD1 4.1Å; L469-Y471 HydrophobicContact CB-CE1 3.62Å; L469-Y471 HydrophobicContact CD1-CE1 4Å; L469-Y471 HydrophobicContact CG-CE1 4.46Å; L469-Y471 PolarHBondContact O-N 3.26Å; L469-Y471 VanDerWaalsContact O-N 3.08Å; L469-L474 HydrophobicContact CB-CD1 3.8Å; L469-L474 HydrophobicContact CD1-CD1 4.09Å; L469-L474 HydrophobicContact CD2-CD1 3.84Å; L469-L474 HydrophobicContact CG-CD1 4.09Å; L469-D477 VanDerWaalsContact CA-OD2 3.31Å; L469-D477 WeakPolarHBondContact CA-OD2 3.06Å; L469-L478 HydrophobicContact CD2-CD2 3.85Å | ||
| 470 | N | 85.8 | Confident | 89 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | trans | -81.4 | 86.6 | 171.7 | -177.6 | -5.3 | 0 | 0 | 0 | 109.5 | Y468 A472 N473 L474 D477 | Y468-N470 PolarHBondContact O-N 2.82Å; N470-A472 PolarHBondContact O-N 3.42Å; N470-A472 VanDerWaalsContact O-N 3.13Å; N470-A472 WeakPolarHBondContact OD1-CB 3.45Å; N470-A472 PolarHBondContact OD1-N 2.66Å; N470-N473 CarbonylContact O-C 3.5Å; N470-N473 VanDerWaalsContact O-C 3.23Å; N470-N473 PolarHBondContact O-N 3.08Å; N470-N473 PolarHBondContact OD1-N 2.87Å; N470-L474 VanDerWaalsContact O-CA 3.24Å; N470-L474 WeakPolarHBondContact O-CA 3.41Å; N470-L474 PolarHBondContact O-N 3.22Å; N470-D477 HydrophobicContact CB-CB 3.98Å; N470-D477 PolarHBondContact N-OD2 3.34Å | ||
| 471 | Y | 82.4 | Confident | 89 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 37% | 0.365 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -59.2 | -25.5 | -178.4 | -61.6 | -56.2 | 0 | 0 | 0 | 114.3 | D387 Y390 L469 N473 L474 | D387-Y471 PolarHBondContact OD2-OH 2.91Å; Y390-Y471 AromaticContact CD2-CE1 3.92Å; Y390-Y471 HydrophobicContact CD2-CE1 3.92Å; Y390-Y471 AromaticContact CE2-CD1 3.69Å; Y390-Y471 HydrophobicContact CE2-CD1 3.69Å; Y390-Y471 AromaticContact CE2-CE1 3.06Å; Y390-Y471 HydrophobicContact CE2-CE1 3.06Å; Y390-Y471 AromaticContact CE2-CZ 3.62Å; Y390-Y471 AromaticContact CZ-CD1 3.63Å; Y390-Y471 AromaticContact CZ-CE1 3.49Å; Y390-Y471 VanDerWaalsContact CZ-CE1 3.49Å; Y390-Y471 WeakPolarHBondContact OH-CD1 3.39Å; Y390-Y471 WeakPolarHBondContact OH-CE1 3.37Å; L469-Y471 HydrophobicContact CB-CD1 4.1Å; L469-Y471 HydrophobicContact CB-CE1 3.62Å; L469-Y471 HydrophobicContact CD1-CE1 4Å; L469-Y471 HydrophobicContact CG-CE1 4.46Å; L469-Y471 PolarHBondContact O-N 3.26Å; L469-Y471 VanDerWaalsContact O-N 3.08Å; Y471-N473 VanDerWaalsContact C-N 3.28Å; Y471-N473 PolarHBondContact O-N 3.25Å; Y471-L474 HydrophobicContact CD1-CD1 4.33Å; Y471-L474 HydrophobicContact CD1-CD2 4.32Å |
| 472 | A | 82.3 | Confident | 88.9 | Confident | 101 Ų | 101 | 46.6 Ų | 46.6 | 84% | 0.835 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -71.5 | -22.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N470 | N470-A472 PolarHBondContact O-N 3.42Å; N470-A472 VanDerWaalsContact O-N 3.13Å; N470-A472 WeakPolarHBondContact OD1-CB 3.45Å; N470-A472 PolarHBondContact OD1-N 2.66Å |
| 473 | N | 86.8 | Confident | 88.8 | Confident | 85 Ų | 85 | 48.2 Ų | 48.2 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -143.2 | 48.5 | 178.9 | -164 | 9.9 | 0 | 0 | 0 | 111.7 | N470 Y471 S475 C476 D477 | N470-N473 CarbonylContact O-C 3.5Å; N470-N473 VanDerWaalsContact O-C 3.23Å; N470-N473 PolarHBondContact O-N 3.08Å; N470-N473 PolarHBondContact OD1-N 2.87Å; Y471-N473 VanDerWaalsContact C-N 3.28Å; Y471-N473 PolarHBondContact O-N 3.25Å; N473-S475 VanDerWaalsContact C-N 3.34Å; N473-S475 PolarHBondContact O-N 3.26Å; N473-C476 HydrophobicContact CB-CB 4.41Å; N473-C476 WeakPolarHBondContact ND2-CB 3.43Å; N473-C476 WeakPolarHBondContact O-CB 3.26Å; N473-C476 PolarHBondContact O-N 3.03Å; N473-C476 WeakPolarHBondContact OD1-CB 3.36Å; N473-D477 PolarHBondContact O-N 2.8Å |
| 474 | L | 87.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | -166.1 | -172.5 | 57.1 | 0 | 0 | 0 | 113.4 | Y390 L405 Y420 L469 N470 Y471 C476 D477 L478 | Y390-L474 HydrophobicContact CE1-CD2 4.1Å; L405-L474 HydrophobicContact CD2-CD2 3.92Å; Y420-L474 HydrophobicContact CD1-CB 4.14Å; Y420-L474 HydrophobicContact CD1-CD2 4Å; Y420-L474 HydrophobicContact CD1-CG 4.16Å; Y420-L474 HydrophobicContact CD2-CD2 3.56Å; Y420-L474 HydrophobicContact CE1-CB 3.94Å; Y420-L474 HydrophobicContact CE1-CD2 4.04Å; Y420-L474 HydrophobicContact CE1-CG 4.34Å; Y420-L474 HydrophobicContact CE2-CD2 3.61Å; Y420-L474 HydrophobicContact CG-CD2 3.77Å; Y420-L474 HydrophobicContact CG-CG 4.25Å; L469-L474 HydrophobicContact CB-CD1 3.8Å; L469-L474 HydrophobicContact CD1-CD1 4.09Å; L469-L474 HydrophobicContact CD2-CD1 3.84Å; L469-L474 HydrophobicContact CG-CD1 4.09Å; N470-L474 VanDerWaalsContact O-CA 3.24Å; N470-L474 WeakPolarHBondContact O-CA 3.41Å; N470-L474 PolarHBondContact O-N 3.22Å; Y471-L474 HydrophobicContact CD1-CD1 4.33Å; Y471-L474 HydrophobicContact CD1-CD2 4.32Å; L474-C476 VanDerWaalsContact C-N 3.31Å; L474-C476 PolarHBondContact O-N 3.24Å; L474-D477 PolarHBondContact O-N 3.44Å; L474-L478 HydrophobicContact CD1-CD1 4.27Å; L474-L478 HydrophobicContact CD1-CG 4.14Å; L474-L478 HydrophobicContact CG-CD1 4.01Å; L474-L478 HydrophobicContact CG-CG 4.34Å; L474-L478 WeakPolarHBondContact O-CB 3.01Å; L474-L478 VanDerWaalsContact O-CG 3.25Å; L474-L478 WeakPolarHBondContact O-CG 3.23Å; L474-L478 PolarHBondContact O-N 3.08Å |
| 475 | S | 86.4 | Confident | 88.3 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 177.2 | -57 | 0 | 0 | 0 | 0 | 112.7 | N473 N479 | N473-S475 VanDerWaalsContact C-N 3.34Å; N473-S475 PolarHBondContact O-N 3.26Å; S475-N479 PolarHBondContact O-N 2.85Å; S475-N479 PolarHBondContact O-ND2 2.83Å |
| 476 | C | 88.5 | Confident | 88 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 31% | 0.311 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.1 | -46.8 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | N473 L474 N479 Q480 | N473-C476 HydrophobicContact CB-CB 4.41Å; N473-C476 WeakPolarHBondContact ND2-CB 3.43Å; N473-C476 WeakPolarHBondContact O-CB 3.26Å; N473-C476 PolarHBondContact O-N 3.03Å; N473-C476 WeakPolarHBondContact OD1-CB 3.36Å; L474-C476 VanDerWaalsContact C-N 3.31Å; L474-C476 PolarHBondContact O-N 3.24Å; C476-N479 PolarHBondContact O-N 3.34Å; C476-Q480 WeakPolarHBondContact O-CG 3.46Å; C476-Q480 PolarHBondContact O-N 3.19Å; C476-Q480 PolarHBondContact SG-NE2 3.4Å |
| 477 | D | 90 | Very high | 87 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57 | -51.7 | 177.9 | 174.2 | 29.6 | 0 | 0 | 0 | 111.6 | H69 L469 N470 N473 L474 N479 Q480 R481 | H69-D477 IonicContact CE1-OD1 3.38Å; H69-D477 PolarHBondContact CE1-OD1 3Å; H69-D477 IonicContact NE2-OD1 3.18Å; L469-D477 VanDerWaalsContact CA-OD2 3.31Å; L469-D477 WeakPolarHBondContact CA-OD2 3.06Å; N470-D477 HydrophobicContact CB-CB 3.98Å; N470-D477 PolarHBondContact N-OD2 3.34Å; N473-D477 PolarHBondContact O-N 2.8Å; L474-D477 PolarHBondContact O-N 3.44Å; D477-N479 VanDerWaalsContact C-N 3.34Å; D477-N479 PolarHBondContact O-N 2.84Å; D477-Q480 PolarHBondContact O-N 3.36Å; D477-R481 WeakPolarHBondContact O-CG 3.31Å; D477-R481 PolarHBondContact O-N 3.23Å; D477-R481 IonicContact OD1-CZ 3.58Å; D477-R481 IonicContact OD1-NE 3.1Å; D477-R481 PolarHBondContact OD1-NE 3.21Å; D477-R481 IonicContact OD1-NH2 3.41Å; D477-R481 PolarHBondContact OD1-NH2 3.4Å; D477-R481 VanDerWaalsContact OD1-NH2 3.16Å; D477-R481 IonicContact OD2-CZ 2.97Å; D477-R481 IonicContact OD2-NE 2.68Å; D477-R481 PolarHBondContact OD2-NE 2.86Å; D477-R481 IonicContact OD2-NH2 3.46Å; D477-R481 PolarHBondContact OD2-NH2 3.04Å |
| 478 | L | 90.3 | Very high | 86 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.9 | -51.8 | 176.8 | -73.3 | 172.6 | 0 | 0 | 0 | 111 | L405 L422 P423 L466 L469 L474 Q480 R481 | L405-L478 HydrophobicContact CD2-CD1 4.47Å; L422-L478 HydrophobicContact CD2-CD2 4.29Å; P423-L478 HydrophobicContact CG-CB 3.97Å; P423-L478 WeakPolarHBondContact CG-O 3.29Å; L466-L478 HydrophobicContact CD2-CD2 3.72Å; L469-L478 HydrophobicContact CD2-CD2 3.85Å; L474-L478 HydrophobicContact CD1-CD1 4.27Å; L474-L478 HydrophobicContact CD1-CG 4.14Å; L474-L478 HydrophobicContact CG-CD1 4.01Å; L474-L478 HydrophobicContact CG-CG 4.34Å; L474-L478 WeakPolarHBondContact O-CB 3.01Å; L474-L478 VanDerWaalsContact O-CG 3.25Å; L474-L478 WeakPolarHBondContact O-CG 3.23Å; L474-L478 PolarHBondContact O-N 3.08Å; L478-Q480 PolarHBondContact O-N 2.76Å; L478-Q480 VanDerWaalsContact O-N 3.11Å; L478-R481 WeakPolarHBondContact O-CB 3.45Å; L478-R481 PolarHBondContact O-N 2.64Å |
| 479 | N | 88.2 | Confident | 84.5 | Confident | 114 Ų | 114 | 44.4 Ų | 44.4 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.8 | -16.6 | -177.3 | -76.3 | -48.9 | 0 | 0 | 0 | 114.5 | S475 C476 D477 | S475-N479 PolarHBondContact O-N 2.85Å; S475-N479 PolarHBondContact O-ND2 2.83Å; C476-N479 PolarHBondContact O-N 3.34Å; D477-N479 VanDerWaalsContact C-N 3.34Å; D477-N479 PolarHBondContact O-N 2.84Å |
| 480 | Q | 89.6 | Confident | 83.5 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.3 | 176.4 | -69.6 | 176.5 | -4.1 | 0 | 0 | 113 | H69 C476 D477 L478 | H69-Q480 WeakPolarHBondContact ND1-CB 3.48Å; H69-Q480 PolarHBondContact ND1-O 2.94Å; H69-Q480 VanDerWaalsContact ND1-O 3.16Å; C476-Q480 WeakPolarHBondContact O-CG 3.46Å; C476-Q480 PolarHBondContact O-N 3.19Å; C476-Q480 PolarHBondContact SG-NE2 3.4Å; D477-Q480 PolarHBondContact O-N 3.36Å; L478-Q480 PolarHBondContact O-N 2.76Å; L478-Q480 VanDerWaalsContact O-N 3.11Å |
| 481 | R | 89.4 | Confident | 82.1 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -85.3 | 127.3 | -179 | -72.2 | 169.7 | -179 | -99.6 | 0.8 | 110.9 | I68 L464 N465 K467 Y468 D477 L478 | I68-R481 VanDerWaalsContact CD1-NH2 3.33Å; L464-R481 HydrophobicContact CD1-CB 3.77Å; N465-R481 WeakPolarHBondContact O-CD 3.48Å; N465-R481 PolarHBondContact O-NH1 2.62Å; K467-R481 PolarHBondContact O-NH1 2.99Å; K467-R481 PolarHBondContact O-NH2 3.23Å; Y468-R481 PolarHBondContact O-NH2 2.9Å; D477-R481 WeakPolarHBondContact O-CG 3.31Å; D477-R481 PolarHBondContact O-N 3.23Å; D477-R481 IonicContact OD1-CZ 3.58Å; D477-R481 IonicContact OD1-NE 3.1Å; D477-R481 PolarHBondContact OD1-NE 3.21Å; D477-R481 IonicContact OD1-NH2 3.41Å; D477-R481 PolarHBondContact OD1-NH2 3.4Å; D477-R481 VanDerWaalsContact OD1-NH2 3.16Å; D477-R481 IonicContact OD2-CZ 2.97Å; D477-R481 IonicContact OD2-NE 2.68Å; D477-R481 PolarHBondContact OD2-NE 2.86Å; D477-R481 IonicContact OD2-NH2 3.46Å; D477-R481 PolarHBondContact OD2-NH2 3.04Å; L478-R481 WeakPolarHBondContact O-CB 3.45Å; L478-R481 PolarHBondContact O-N 2.64Å |
| 482 | P | 89 | Confident | 80.6 | Confident | 31 Ų | 31 | 47 Ų | 47 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 140.7 | 179.8 | 29.7 | -33.9 | 0 | 0 | 0 | 111.6 | H69 E70 N71 | H69-P482 WeakPolarHBondContact O-CD 3.22Å; H69-P482 WeakPolarHBondContact O-CG 3.22Å; E70-P482 WeakPolarHBondContact O-CG 3.41Å; N71-P482 WeakPolarHBondContact OD1-CB 3.35Å |
| 483 | W | 90.7 | Very high | 79.2 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 135.4 | 167.6 | -70.6 | 100.5 | 0 | 0 | 0 | 110.4 | P423 L425 L438 L448 A462 L464 I485 | P423-W483 PolarHBondContact O-NE1 3.2Å; L425-W483 HydrophobicContact CD1-CB 3.57Å; L425-W483 HydrophobicContact CD1-CD2 4.31Å; L425-W483 HydrophobicContact CD1-CG 3.54Å; L438-W483 HydrophobicContact CD1-CH2 3.49Å; L438-W483 VanDerWaalsContact CD1-CH2 3.49Å; L438-W483 HydrophobicContact CD1-CZ2 3.72Å; L438-W483 HydrophobicContact CD1-CZ3 4.09Å; L448-W483 HydrophobicContact CD2-CH2 3.89Å; L448-W483 HydrophobicContact CD2-CZ3 4.24Å; A462-W483 HydrophobicContact CB-CE3 3.74Å; A462-W483 HydrophobicContact CB-CZ3 4Å; L464-W483 HydrophobicContact CB-CD2 4.28Å; L464-W483 HydrophobicContact CB-CE3 3.65Å; L464-W483 HydrophobicContact CB-CH2 3.83Å; L464-W483 HydrophobicContact CB-CZ2 4.44Å; L464-W483 HydrophobicContact CB-CZ3 3.42Å; L464-W483 VanDerWaalsContact CB-CZ3 3.42Å; L464-W483 HydrophobicContact CD1-CD2 4.13Å; L464-W483 HydrophobicContact CD1-CE3 4.34Å; L464-W483 HydrophobicContact CD2-CH2 3.7Å; L464-W483 HydrophobicContact CD2-CZ2 3.75Å; L464-W483 HydrophobicContact CD2-CZ3 4.19Å; L464-W483 HydrophobicContact CG-CE3 4.43Å; L464-W483 HydrophobicContact CG-CH2 4.3Å; L464-W483 HydrophobicContact CG-CZ3 4.3Å; W483-I485 HydrophobicContact CB-CD1 4.08Å |
| 484 | L | 90.9 | Very high | 77.8 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.3 | 164.1 | 166.1 | 66.9 | 0 | 0 | 0 | 109.6 | V61 L72 V74 A462 V463 L486 | V61-L484 HydrophobicContact CG1-CD2 3.69Å; V61-L484 HydrophobicContact CG2-CD2 4Å; L72-L484 HydrophobicContact CB-CB 3.84Å; L72-L484 HydrophobicContact CB-CD2 3.64Å; L72-L484 HydrophobicContact CB-CG 4.3Å; L72-L484 HydrophobicContact CD1-CB 3.79Å; L72-L484 HydrophobicContact CD1-CD2 4.31Å; L72-L484 HydrophobicContact CG-CB 4.44Å; V74-L484 HydrophobicContact CG2-CD1 3.72Å; V74-L484 HydrophobicContact CG2-CD2 3.77Å; V74-L484 HydrophobicContact CG2-CG 4.28Å; A462-L484 CarbonylContact C-O 3.37Å; A462-L484 WeakPolarHBondContact CA-O 3.39Å; V463-L484 HydrophobicContact CB-CB 4.19Å; V463-L484 HydrophobicContact CB-CD2 4.38Å; V463-L484 HydrophobicContact CB-CG 4.5Å; V463-L484 HydrophobicContact CG2-CD2 4.5Å; V463-L484 PolarHBondContact N-O 3.28Å; V463-L484 PolarHBondContact O-N 2.92Å; L484-L486 HydrophobicContact CD1-CD2 3.98Å; L484-L486 HydrophobicContact CD2-CD2 4.03Å; L484-L486 HydrophobicContact CG-CD2 3.89Å; L484-L486 HydrophobicContact CG-CG 4.37Å |
| 485 | I | 88.3 | Confident | 76.5 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124 | 178.2 | -50.1 | -53.9 | 0 | 0 | 0 | 109.9 | L425 H460 I461 A462 W483 L497 | L425-I485 HydrophobicContact CD1-CD1 3.71Å; L425-I485 HydrophobicContact CD1-CG1 4.39Å; L425-I485 HydrophobicContact CD2-CD1 3.63Å; L425-I485 HydrophobicContact CG-CD1 4.27Å; H460-I485 HydrophobicContact CB-CG2 4.01Å; I461-I485 WeakPolarHBondContact O-CA 3.25Å; A462-I485 HydrophobicContact CB-CD1 3.79Å; W483-I485 HydrophobicContact CB-CD1 4.08Å; I485-L497 HydrophobicContact CG2-CD1 4.22Å; I485-L497 HydrophobicContact CG2-CD2 3.73Å |
| 486 | L | 86.1 | Confident | 75.9 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.3 | 174 | -44.4 | 170.9 | 0 | 0 | 0 | 108.8 | I38 Y59 V74 I461 V463 L484 | I38-L486 HydrophobicContact CD1-CD1 4.44Å; Y59-L486 HydrophobicContact CD1-CD1 4Å; Y59-L486 HydrophobicContact CD1-CD2 4.37Å; Y59-L486 HydrophobicContact CD2-CD1 3.93Å; Y59-L486 HydrophobicContact CE1-CB 4.18Å; Y59-L486 HydrophobicContact CE1-CD1 4.36Å; Y59-L486 HydrophobicContact CE2-CD1 4.29Å; Y59-L486 HydrophobicContact CG-CD1 3.78Å; V74-L486 HydrophobicContact CG2-CD2 3.4Å; V74-L486 VanDerWaalsContact CG2-CD2 3.4Å; I461-L486 HydrophobicContact CB-CB 4.07Å; I461-L486 HydrophobicContact CB-CD1 4.5Å; I461-L486 HydrophobicContact CG2-CD1 4.07Å; I461-L486 HydrophobicContact CG2-CG 4.48Å; I461-L486 PolarHBondContact N-O 3.4Å; I461-L486 VanDerWaalsContact N-O 3.08Å; I461-L486 PolarHBondContact O-N 2.96Å; V463-L486 HydrophobicContact CG2-CD1 4.04Å; V463-L486 HydrophobicContact CG2-CG 4.48Å; L484-L486 HydrophobicContact CD1-CD2 3.98Å; L484-L486 HydrophobicContact CD2-CD2 4.03Å; L484-L486 HydrophobicContact CG-CD2 3.89Å; L484-L486 HydrophobicContact CG-CG 4.37Å |
| 487 | S | 72.2 | Confident | 75.5 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | trans | -64.3 | 159.1 | 177.3 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | Y59 G489 | Y59-S487 PolarHBondContact OH-O 3.47Å; S487-G489 PolarHBondContact O-N 2.89Å; S487-G489 PolarHBondContact OG-N 3.1Å | ||
| 488 | D | 67.1 | Low | 75.2 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | trans | -62.7 | -5.7 | 173.7 | 54.9 | 41 | 0 | 0 | 0 | 115.2 | W42 Y55 L490 R498 | W42-D488 HydrophobicContact CH2-CB 3.88Å; W42-D488 HydrophobicContact CZ2-CB 4.44Å; W42-D488 HydrophobicContact CZ3-CB 3.98Å; Y55-D488 PolarHBondContact OH-O 3.05Å; D488-L490 PolarHBondContact O-N 2.7Å; D488-R498 IonicContact OD1-CZ 3.83Å; D488-R498 IonicContact OD1-NE 2.9Å; D488-R498 IonicContact OD1-NH2 3.84Å; D488-R498 PolarHBondContact OD1-NH2 3.17Å; D488-R498 IonicContact OD2-CZ 3.53Å; D488-R498 IonicContact OD2-NE 3.99Å; D488-R498 PolarHBondContact OD2-NE 2.89Å; D488-R498 IonicContact OD2-NH2 2.96Å; D488-R498 PolarHBondContact OD2-NH2 3Å | ||
| 489 | G | 56.7 | Low | 75 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 82.2 | 12.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117 | R57 S487 D491 | R57-G489 PolarHBondContact NH1-O 3.2Å; S487-G489 PolarHBondContact O-N 2.89Å; S487-G489 PolarHBondContact OG-N 3.1Å; G489-D491 VanDerWaalsContact C-N 3.35Å |
| 490 | L | 64.5 | Low | 75 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -70.8 | -28.9 | 171.7 | -72.8 | 174.3 | 0 | 0 | 0 | 113.2 | P17 D488 | P17-L490 HydrophobicContact CG-CD1 3.72Å; P17-L490 HydrophobicContact CG-CD2 4.29Å; P17-L490 HydrophobicContact CG-CG 3.98Å; D488-L490 PolarHBondContact O-N 2.7Å |
| 491 | D | 57 | Low | 75 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | trans | -134.2 | 123.5 | -177.6 | -149.5 | -17 | 0 | 0 | 0 | 111.9 | G489 K493 Q494 | G489-D491 VanDerWaalsContact C-N 3.35Å; D491-K493 PolarHBondContact O-N 3.3Å; D491-K493 PolarHBondContact OD1-N 2.79Å; D491-Q494 HydrophobicContact CB-CG 4.24Å | ||
| 492 | L | 52 | Low | 75 | Confident | 128 Ų | 128 | 52.8 Ų | 52.8 | 67% | 0.67 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -75.8 | -13.3 | 174.4 | -83.9 | 166.3 | 0 | 0 | 0 | 112.3 | ||
| 493 | K | 52.3 | Low | 75.2 | Confident | 188 Ų | 188 | 51.7 Ų | 51.7 | 82% | 0.817 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -98.3 | -10.8 | -168.4 | -66.5 | -175.4 | 177.4 | -179.8 | 0 | 114.9 | D491 | D491-K493 PolarHBondContact O-N 3.3Å; D491-K493 PolarHBondContact OD1-N 2.79Å |
| 494 | Q | 57.3 | Low | 75.2 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | trans | -84 | 121.4 | -179 | -67.8 | -175.1 | 4 | 0 | 0 | 110.3 | D491 H496 | D491-Q494 HydrophobicContact CB-CG 4.24Å; Q494-H496 VanDerWaalsContact C-N 3.28Å | ||
| 495 | S | 60.8 | Low | 75.4 | Confident | 128 Ų | 128 | 52.3 Ų | 52.3 | 90% | 0.895 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -84.5 | -0.8 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 496 | H | 73.7 | Confident | 75.7 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -126.4 | 156.9 | -177.5 | 65.7 | -80.8 | 0 | 0 | 0 | 111.4 | Q494 D545 | Q494-H496 VanDerWaalsContact C-N 3.28Å; H496-D545 IonicContact CD2-OD1 2.74Å; H496-D545 IonicContact CD2-OD2 3.77Å; H496-D545 IonicContact CE1-OD1 3.55Å; H496-D545 IonicContact NE2-OD1 3.01Å; H496-D545 PolarHBondContact NE2-OD1 3.35Å; H496-D545 IonicContact NE2-OD2 3.17Å |
| 497 | L | 79.8 | Confident | 76.1 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | trans | -73.5 | 135.3 | 172.9 | -62 | 175.2 | 0 | 0 | 0 | 109.7 | L427 I485 S499 | L427-L497 HydrophobicContact CB-CD1 4.43Å; L427-L497 HydrophobicContact CD2-CD1 4.02Å; I485-L497 HydrophobicContact CG2-CD1 4.22Å; I485-L497 HydrophobicContact CG2-CD2 3.73Å; L497-S499 PolarHBondContact O-N 3.01Å | ||
| 498 | R | 83.2 | Confident | 77.3 | Confident | 14 Ų | 14 | 53 Ų | 53 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | trans | -60.9 | 130.9 | 176 | -63.7 | -162.6 | -67 | 164.5 | -0.6 | 109.7 | P458 D488 D545 F546 | P458-R498 VanDerWaalsContact CD-O 3.26Å; P458-R498 WeakPolarHBondContact CD-O 3.23Å; P458-R498 HydrophobicContact CG-CB 4.16Å; D488-R498 IonicContact OD1-CZ 3.83Å; D488-R498 IonicContact OD1-NE 2.9Å; D488-R498 IonicContact OD1-NH2 3.84Å; D488-R498 PolarHBondContact OD1-NH2 3.17Å; D488-R498 IonicContact OD2-CZ 3.53Å; D488-R498 IonicContact OD2-NE 3.99Å; D488-R498 PolarHBondContact OD2-NE 2.89Å; D488-R498 IonicContact OD2-NH2 2.96Å; D488-R498 PolarHBondContact OD2-NH2 3Å; R498-D545 HydrophobicContact CB-CB 4.18Å; R498-D545 WeakPolarHBondContact CD-O 3.47Å; R498-D545 HydrophobicContact CG-CB 4.3Å; R498-F546 HydrophobicContact CB-CE1 4.46Å; R498-F546 HydrophobicContact CB-CZ 4.36Å | ||
| 499 | S | 87 | Confident | 78.7 | Confident | 17 Ų | 17 | 59 Ų | 59 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | trans | -144.3 | 139.7 | -177 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | I456 H457 L497 K501 D545 | I456-S499 CarbonylContact O-C 3.13Å; I456-S499 WeakPolarHBondContact O-CA 3.35Å; H457-S499 PolarHBondContact CD2-OG 2.82Å; H457-S499 PolarHBondContact NE2-OG 2.84Å; L497-S499 PolarHBondContact O-N 3.01Å; S499-K501 PolarHBondContact O-N 2.84Å; S499-D545 PolarHBondContact N-OD2 2.89Å | ||
| 500 | L | 88.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -82.9 | 93.1 | 170.9 | -176.8 | 62.4 | 0 | 0 | 0 | 108.9 | I456 I503 I541 V543 F546 W579 A584 | I456-L500 HydrophobicContact CB-CB 4.43Å; I456-L500 PolarHBondContact O-N 2.82Å; L500-I503 HydrophobicContact CD2-CB 4.41Å; L500-I503 HydrophobicContact CD2-CG1 3.66Å; L500-I503 HydrophobicContact CG-CB 4.42Å; L500-I503 HydrophobicContact CG-CG1 3.74Å; L500-I541 HydrophobicContact CD1-CG2 3.98Å; L500-V543 HydrophobicContact CD1-CB 4.48Å; L500-V543 HydrophobicContact CD1-CG1 3.58Å; L500-F546 HydrophobicContact CB-CE2 4.1Å; L500-W579 HydrophobicContact CB-CH2 4.41Å; L500-W579 HydrophobicContact CB-CZ3 4.18Å; L500-A584 HydrophobicContact CD2-CB 3.91Å | ||
| 501 | K | 88.6 | Confident | 82.1 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 41% | 0.409 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -80.6 | 150.2 | -177.1 | -40.5 | 171 | -168.2 | 141.9 | 0 | 110.6 | S499 I503 I541 D542 | S499-K501 PolarHBondContact O-N 2.84Å; K501-I503 VanDerWaalsContact C-N 3.33Å; K501-I541 WeakPolarHBondContact O-CA 3.19Å; K501-D542 HydrophobicContact CB-CB 4.03Å; K501-D542 HydrophobicContact CD-CB 4.29Å; K501-D542 HydrophobicContact CG-CB 4.43Å; K501-D542 PolarHBondContact N-O 3.29Å; K501-D542 IonicContact NZ-OD2 3.14Å; K501-D542 PolarHBondContact NZ-OD2 2.92Å; K501-D542 PolarHBondContact O-N 2.82Å |
| 502 | G | 89.9 | Confident | 83.8 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 3.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P530 I531 | G502-P530 CarbonylContact O-C 3.55Å; G502-P530 WeakPolarHBondContact O-CA 3.3Å; G502-I531 PolarHBondContact O-N 3.28Å |
| 503 | I | 92 | Very high | 85.5 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139 | 169.8 | -57.7 | -54.1 | 0 | 0 | 0 | 108.5 | I456 L500 K501 V528 P530 I541 C587 | I456-I503 HydrophobicContact CG2-CB 3.81Å; I456-I503 HydrophobicContact CG2-CG2 3.74Å; L500-I503 HydrophobicContact CD2-CB 4.41Å; L500-I503 HydrophobicContact CD2-CG1 3.66Å; L500-I503 HydrophobicContact CG-CB 4.42Å; L500-I503 HydrophobicContact CG-CG1 3.74Å; K501-I503 VanDerWaalsContact C-N 3.33Å; I503-V528 HydrophobicContact CG2-CG1 3.68Å; I503-P530 HydrophobicContact CD1-CB 4.01Å; I503-P530 HydrophobicContact CD1-CG 3.91Å; I503-I541 HydrophobicContact CD1-CD1 3.75Å; I503-I541 HydrophobicContact CD1-CG1 4.04Å; I503-I541 HydrophobicContact CD1-CG2 4.23Å; I503-I541 HydrophobicContact CG1-CG2 4.33Å; I503-C587 HydrophobicContact CD1-CB 3.66Å; I503-C587 HydrophobicContact CG1-CB 4.18Å; I503-C587 HydrophobicContact CG2-CB 4.34Å |
| 504 | D | 92.1 | Very high | 86.8 | Confident | 59 Ų | 59 | 58 Ų | 58 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 161.7 | 173.5 | -165.5 | 14.4 | 0 | 0 | 0 | 110.1 | H529 I531 | D504-H529 PolarHBondContact N-O 3.36Å; D504-H529 PolarHBondContact O-N 3.08Å; D504-H529 VanDerWaalsContact O-O 3.1Å; D504-I531 HydrophobicContact CB-CD1 4.47Å; D504-I531 HydrophobicContact CB-CG1 3.83Å |
| 505 | W | 94.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 147.7 | 177.1 | 64.9 | -83.1 | 0 | 0 | 0 | 112.8 | L434 S435 P455 V507 L526 L527 V528 A577 | L434-W505 HydrophobicContact CB-CH2 4.35Å; L434-W505 HydrophobicContact CB-CZ2 3.67Å; L434-W505 HydrophobicContact CD2-CZ2 4.42Å; L434-W505 HydrophobicContact CG-CZ2 4.47Å; S435-W505 WeakPolarHBondContact O-CH2 3.18Å; S435-W505 WeakPolarHBondContact O-CZ2 3.36Å; P455-W505 HydrophobicContact CB-CB 4.4Å; P455-W505 HydrophobicContact CB-CG 4.06Å; P455-W505 HydrophobicContact CG-CB 4.37Å; P455-W505 HydrophobicContact CG-CD2 3.82Å; P455-W505 HydrophobicContact CG-CE3 4.32Å; P455-W505 HydrophobicContact CG-CG 3.83Å; W505-V507 HydrophobicContact CZ3-CG2 4.26Å; W505-L526 HydrophobicContact CB-CD1 4.31Å; W505-L526 HydrophobicContact CD2-CD1 4.36Å; W505-L526 HydrophobicContact CE3-CD1 3.5Å; W505-L526 HydrophobicContact CZ3-CD1 4.21Å; W505-L527 CarbonylContact C-O 3.56Å; W505-L527 WeakPolarHBondContact CA-O 3.45Å; W505-L527 WeakPolarHBondContact CB-O 2.88Å; W505-V528 HydrophobicContact CB-CB 4.28Å; W505-V528 HydrophobicContact CB-CG1 4.25Å; W505-V528 HydrophobicContact CB-CG2 3.93Å; W505-A577 HydrophobicContact CE3-CB 4.28Å; W505-A577 HydrophobicContact CH2-CB 4.02Å; W505-A577 HydrophobicContact CZ3-CB 3.78Å |
| 506 | S | 94.3 | Very high | 87.4 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143.6 | -178 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | H508 L527 | S506-H508 PolarHBondContact OG-CE1 2.62Å; S506-H508 PolarHBondContact OG-NE2 3.34Å; S506-L527 PolarHBondContact N-O 3.26Å; S506-L527 PolarHBondContact O-N 3.15Å |
| 507 | V | 95.3 | Very high | 86.4 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.1 | 172.6 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | F399 W505 E524 C525 L526 | F399-V507 HydrophobicContact CB-CG2 3.93Å; F399-V507 HydrophobicContact CD2-CG1 3.72Å; F399-V507 HydrophobicContact CD2-CG2 4.18Å; F399-V507 HydrophobicContact CE2-CG1 4.32Å; F399-V507 HydrophobicContact CG-CG1 4.48Å; F399-V507 HydrophobicContact CG-CG2 4.15Å; W505-V507 HydrophobicContact CZ3-CG2 4.26Å; V507-E524 HydrophobicContact CG1-CB 4.31Å; V507-C525 CarbonylContact C-O 3.56Å; V507-C525 WeakPolarHBondContact CA-O 3.32Å; V507-L526 HydrophobicContact CG2-CD1 3.95Å |
| 508 | H | 96.6 | Very high | 85.5 | Confident | 34 Ų | 34 | 62 Ų | 62 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.4 | -179.4 | -59.3 | -81.2 | 0 | 0 | 0 | 110.9 | S506 E524 C525 F630 Y634 | S506-H508 PolarHBondContact OG-CE1 2.62Å; S506-H508 PolarHBondContact OG-NE2 3.34Å; H508-E524 CarbonylContact O-C 3.59Å; H508-E524 VanDerWaalsContact O-CA 3.32Å; H508-E524 WeakPolarHBondContact O-CA 3.19Å; H508-C525 PolarHBondContact N-O 3.22Å; H508-C525 PolarHBondContact O-N 2.79Å; H508-F630 HydrophobicContact CB-CD1 4.46Å; H508-F630 HydrophobicContact CB-CE1 3.54Å; H508-F630 HydrophobicContact CB-CZ 3.64Å; H508-F630 AromaticContact CD2-CE1 3.64Å; H508-F630 AromaticContact CG-CE1 3.41Å; H508-F630 VanDerWaalsContact CG-CE1 3.41Å; H508-F630 AromaticContact CG-CZ 3.47Å; H508-F630 VanDerWaalsContact CG-CZ 3.47Å; H508-F630 AromaticContact ND1-CE1 3.9Å; H508-F630 AromaticContact ND1-CZ 3.52Å; H508-Y634 AromaticContact CE1-CD2 3.99Å; H508-Y634 AromaticContact CE1-CE2 3.54Å; H508-Y634 AromaticContact NE2-CE2 3.94Å |
| 509 | Q | 96.5 | Very high | 85.2 | Confident | 130 Ų | 130 | 70.6 Ų | 70.6 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 130.5 | 170.4 | -173 | 179.7 | -9.4 | 0 | 0 | 109.6 | S522 F523 E524 | Q509-S522 PolarHBondContact NE2-OG 2.77Å; Q509-F523 WeakPolarHBondContact CA-O 3.27Å; Q509-E524 HydrophobicContact CB-CG 4.47Å |
| 510 | I | 97 | Very high | 85.3 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 8% | 0.082 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121 | -179 | -59.7 | -179.3 | 0 | 0 | 0 | 108.4 | S522 F523 C525 Q626 A627 F630 | I510-S522 CarbonylContact O-C 3.46Å; I510-S522 WeakPolarHBondContact O-CA 3.3Å; I510-S522 WeakPolarHBondContact O-CB 3.4Å; I510-F523 HydrophobicContact CB-CD1 4.33Å; I510-F523 HydrophobicContact CB-CE1 3.82Å; I510-F523 HydrophobicContact CB-CE2 4.24Å; I510-F523 HydrophobicContact CB-CZ 3.76Å; I510-F523 HydrophobicContact CD1-CE2 3.98Å; I510-F523 HydrophobicContact CD1-CZ 3.85Å; I510-F523 HydrophobicContact CG1-CZ 4.35Å; I510-F523 HydrophobicContact CG2-CE1 3.68Å; I510-F523 HydrophobicContact CG2-CZ 3.75Å; I510-F523 PolarHBondContact N-O 3.13Å; I510-F523 PolarHBondContact O-N 2.85Å; I510-C525 HydrophobicContact CD1-CB 4.48Å; I510-Q626 HydrophobicContact CG2-CB 4.35Å; I510-A627 VanDerWaalsContact CD1-CA 3.49Å; I510-A627 HydrophobicContact CD1-CB 3.89Å; I510-F630 HydrophobicContact CD1-CB 3.88Å; I510-F630 HydrophobicContact CD1-CD1 4.15Å; I510-F630 HydrophobicContact CD1-CG 3.98Å; I510-F630 HydrophobicContact CG1-CG 4.34Å |
| 511 | E | 95.9 | Very high | 85.4 | Confident | 129 Ų | 129 | 74.6 Ų | 74.6 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136.1 | 171.6 | -70.9 | -163.9 | -155.8 | 0 | 0 | 110.9 | E513 K515 Q626 | E511-E513 PolarHBondContact O-N 3.48Å; E511-K515 IonicContact OE2-NZ 2.87Å; E511-K515 PolarHBondContact OE2-NZ 2.98Å; E511-Q626 PolarHBondContact O-OE1 2.99Å |
| 512 | L | 94 | Very high | 85.7 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | trans | -69.2 | 128.9 | 178.5 | -65.1 | 172.6 | 0 | 0 | 0 | 110.9 | N514 I520 N521 F523 D623 | L512-N514 VanDerWaalsContact C-N 3.27Å; L512-N514 PolarHBondContact O-N 3.42Å; L512-I520 HydrophobicContact CD1-CG2 4.31Å; L512-I520 WeakPolarHBondContact CD1-O 3.43Å; L512-N521 PolarHBondContact N-O 3.02Å; L512-F523 HydrophobicContact CD2-CD1 3.58Å; L512-F523 HydrophobicContact CD2-CE1 3.92Å; L512-F523 HydrophobicContact CG-CD1 4.49Å; L512-D623 WeakPolarHBondContact CD2-OD1 3.46Å | ||
| 513 | E | 87.2 | Confident | 86 | Confident | 126 Ų | 126 | 70.9 Ų | 70.9 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -56.6 | -39.7 | 174.9 | -73.1 | 175.1 | -179.8 | 0 | 0 | 112.5 | E511 Q626 | E511-E513 PolarHBondContact O-N 3.48Å; E513-Q626 HydrophobicContact CG-CG 4.19Å |
| 514 | N | 78.4 | Confident | 86.3 | Confident | 136 Ų | 136 | 72.9 Ų | 72.9 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -112.5 | 100.6 | 175.9 | -70.4 | -34.2 | 0 | 0 | 0 | 109.9 | L512 S516 | L512-N514 VanDerWaalsContact C-N 3.27Å; L512-N514 PolarHBondContact O-N 3.42Å; N514-S516 PolarHBondContact O-N 2.86Å; N514-S516 VanDerWaalsContact O-N 3.1Å |
| 515 | K | 70.7 | Confident | 86.6 | Confident | 123 Ų | 123 | 70 Ų | 70 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | trans | -73.1 | 99.1 | 171.5 | -62.2 | -178 | -178.4 | 179.4 | 0 | 108 | E511 | E511-K515 IonicContact OE2-NZ 2.87Å; E511-K515 PolarHBondContact OE2-NZ 2.98Å | ||
| 516 | S | 60.4 | Low | 86.7 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | trans | -66.5 | 168.2 | 169.3 | 53.3 | 0 | 0 | 0 | 0 | 111 | N514 N518 | N514-S516 PolarHBondContact O-N 2.86Å; N514-S516 VanDerWaalsContact O-N 3.1Å; S516-N518 PolarHBondContact O-N 3.5Å | ||
| 517 | D | 54.2 | Low | 86.9 | Confident | 174 Ų | 174 | 68.4 Ų | 68.4 | 93% | 0.93 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -59.6 | -11.2 | 175.4 | -144.9 | 4.7 | 0 | 0 | 0 | 113.7 | ||
| 518 | N | 60.6 | Low | 86.9 | Confident | 79 Ų | 79 | 65.7 Ų | 65.7 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -78.5 | 145.3 | 178.2 | -68.2 | -9.1 | 0 | 0 | 0 | 112.4 | S516 I520 D611 | S516-N518 PolarHBondContact O-N 3.5Å; N518-I520 PolarHBondContact O-N 2.95Å; N518-D611 PolarHBondContact ND2-OD1 2.84Å |
| 519 | R | 76.3 | Confident | 86.9 | Confident | 194 Ų | 194 | 64.3 Ų | 64.3 | 73% | 0.732 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -62.5 | 7.4 | -176 | -56.4 | -179 | -139.8 | 168.4 | 5.8 | 115.8 | ||
| 520 | I | 88.6 | Confident | 86.7 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | -104.2 | 116.1 | -177.6 | -62 | 156.7 | 0 | 0 | 0 | 108.7 | L512 N518 R599 F608 D611 | L512-I520 HydrophobicContact CD1-CG2 4.31Å; L512-I520 WeakPolarHBondContact CD1-O 3.43Å; N518-I520 PolarHBondContact O-N 2.95Å; I520-R599 HydrophobicContact CG2-CG 4.18Å; I520-F608 HydrophobicContact CD1-CB 4.29Å; I520-F608 HydrophobicContact CD1-CD2 4.12Å; I520-F608 HydrophobicContact CG1-CD2 4.19Å; I520-F608 HydrophobicContact CG2-CD2 3.69Å; I520-F608 HydrophobicContact CG2-CE2 3.81Å; I520-D611 HydrophobicContact CD1-CB 3.33Å | ||
| 521 | N | 91.1 | Very high | 86.5 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | trans | -110.4 | -8.6 | -175.6 | -68.1 | -34.7 | 0 | 0 | 0 | 113.7 | L512 | L512-N521 PolarHBondContact N-O 3.02Š| ||
| 522 | S | 94.5 | Very high | 86.2 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 161.1 | -174.3 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | Q509 I510 | Q509-S522 PolarHBondContact NE2-OG 2.77Å; I510-S522 CarbonylContact O-C 3.46Å; I510-S522 WeakPolarHBondContact O-CA 3.3Å; I510-S522 WeakPolarHBondContact O-CB 3.4Å |
| 523 | F | 96.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 179.1 | 167.8 | 68.9 | -82.1 | 0 | 0 | 0 | 109.2 | Q509 I510 L512 I596 F608 D623 Q626 A627 | Q509-F523 WeakPolarHBondContact CA-O 3.27Å; I510-F523 HydrophobicContact CB-CD1 4.33Å; I510-F523 HydrophobicContact CB-CE1 3.82Å; I510-F523 HydrophobicContact CB-CE2 4.24Å; I510-F523 HydrophobicContact CB-CZ 3.76Å; I510-F523 HydrophobicContact CD1-CE2 3.98Å; I510-F523 HydrophobicContact CD1-CZ 3.85Å; I510-F523 HydrophobicContact CG1-CZ 4.35Å; I510-F523 HydrophobicContact CG2-CE1 3.68Å; I510-F523 HydrophobicContact CG2-CZ 3.75Å; I510-F523 PolarHBondContact N-O 3.13Å; I510-F523 PolarHBondContact O-N 2.85Å; L512-F523 HydrophobicContact CD2-CD1 3.58Å; L512-F523 HydrophobicContact CD2-CE1 3.92Å; L512-F523 HydrophobicContact CG-CD1 4.49Å; F523-I596 HydrophobicContact CD2-CG2 4.32Å; F523-I596 HydrophobicContact CE2-CG2 4.06Å; F523-F608 HydrophobicContact CB-CE2 4.28Å; F523-F608 HydrophobicContact CB-CZ 3.97Å; F523-D623 HydrophobicContact CD1-CB 4.14Å; F523-D623 HydrophobicContact CD2-CB 4.2Å; F523-D623 HydrophobicContact CE1-CB 3.91Å; F523-D623 HydrophobicContact CE2-CB 3.98Å; F523-D623 HydrophobicContact CG-CB 4.28Å; F523-D623 HydrophobicContact CZ-CB 3.84Å; F523-D623 WeakPolarHBondContact CZ-O 3.3Å; F523-Q626 HydrophobicContact CE1-CB 4.35Å; F523-Q626 HydrophobicContact CZ-CB 4.08Å; F523-A627 HydrophobicContact CE2-CB 4.01Å; F523-A627 HydrophobicContact CZ-CB 4.27Å |
| 524 | E | 97.3 | Very high | 85.8 | Confident | 49 Ų | 49 | 60.6 Ų | 60.6 | 23% | 0.229 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 153.5 | -178.4 | -64.4 | 179.7 | 162.4 | 0 | 0 | 112.6 | F399 V507 H508 Q509 N597 Y604 | F399-E524 HydrophobicContact CD2-CB 4.1Å; F399-E524 HydrophobicContact CE2-CB 3.7Å; V507-E524 HydrophobicContact CG1-CB 4.31Å; H508-E524 CarbonylContact O-C 3.59Å; H508-E524 VanDerWaalsContact O-CA 3.32Å; H508-E524 WeakPolarHBondContact O-CA 3.19Å; Q509-E524 HydrophobicContact CB-CG 4.47Å; E524-N597 PolarHBondContact O-N 2.82Å; E524-Y604 HydrophobicContact CB-CE1 4.37Å; E524-Y604 HydrophobicContact CG-CE1 3.98Å; E524-Y604 VanDerWaalsContact OE2-CE1 3.25Å; E524-Y604 WeakPolarHBondContact OE2-CE1 3.46Å; E524-Y604 PolarHBondContact OE2-OH 3.36Å |
| 525 | C | 98.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153 | 167.7 | 68.5 | 0 | 0 | 0 | 0 | 111 | V507 H508 I510 L594 L595 I596 A627 | V507-C525 CarbonylContact C-O 3.56Å; V507-C525 WeakPolarHBondContact CA-O 3.32Å; H508-C525 PolarHBondContact N-O 3.22Å; H508-C525 PolarHBondContact O-N 2.79Å; I510-C525 HydrophobicContact CD1-CB 4.48Å; C525-L594 HydrophobicContact CB-CD1 3.72Å; C525-L595 CarbonylContact C-O 3.58Å; C525-L595 VanDerWaalsContact CA-O 3.25Å; C525-L595 WeakPolarHBondContact CA-O 3.39Å; C525-L595 WeakPolarHBondContact CB-O 3.39Å; C525-I596 HydrophobicContact CB-CG1 4.48Å; C525-A627 HydrophobicContact CB-CB 4.26Å |
| 526 | L | 97.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.7 | 173.8 | 167.7 | 69.3 | 0 | 0 | 0 | 108 | F399 W505 V507 V528 A577 L594 L595 | F399-L526 HydrophobicContact CD1-CB 3.44Å; F399-L526 VanDerWaalsContact CD1-CB 3.44Å; F399-L526 HydrophobicContact CD1-CD2 3.82Å; F399-L526 HydrophobicContact CD1-CG 4.21Å; F399-L526 HydrophobicContact CD2-CB 4.36Å; F399-L526 HydrophobicContact CE1-CB 3.21Å; F399-L526 HydrophobicContact CE1-CD2 4.12Å; F399-L526 HydrophobicContact CE1-CG 4.29Å; F399-L526 HydrophobicContact CE2-CB 4.17Å; F399-L526 HydrophobicContact CG-CB 4.02Å; F399-L526 HydrophobicContact CZ-CB 3.62Å; F399-L526 VanDerWaalsContact CZ-N 3.27Å; W505-L526 HydrophobicContact CB-CD1 4.31Å; W505-L526 HydrophobicContact CD2-CD1 4.36Å; W505-L526 HydrophobicContact CE3-CD1 3.5Å; W505-L526 HydrophobicContact CZ3-CD1 4.21Å; V507-L526 HydrophobicContact CG2-CD1 3.95Å; L526-V528 HydrophobicContact CD1-CG2 4.32Å; L526-V528 HydrophobicContact CD2-CG2 4.2Å; L526-V528 HydrophobicContact CG-CG2 4.01Å; L526-A577 HydrophobicContact CD2-CB 4.12Å; L526-L594 WeakPolarHBondContact O-CA 3.28Å; L526-L595 HydrophobicContact CB-CB 4.24Å; L526-L595 HydrophobicContact CD2-CD1 4.33Å; L526-L595 HydrophobicContact CD2-CD2 4.43Å; L526-L595 PolarHBondContact N-O 2.88Å; L526-L595 PolarHBondContact O-N 3.39Å |
| 527 | L | 97.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.1 | 173 | -172.1 | 66 | 0 | 0 | 0 | 108.5 | W505 S506 L563 A592 L594 A631 Y634 L635 | W505-L527 CarbonylContact C-O 3.56Å; W505-L527 WeakPolarHBondContact CA-O 3.45Å; W505-L527 WeakPolarHBondContact CB-O 2.88Å; S506-L527 PolarHBondContact N-O 3.26Å; S506-L527 PolarHBondContact O-N 3.15Å; L527-L563 HydrophobicContact CD1-CD1 3.95Å; L527-A592 HydrophobicContact CD1-CB 4.48Å; L527-L594 HydrophobicContact CD1-CB 4.38Å; L527-L594 HydrophobicContact CD1-CD1 4.41Å; L527-A631 HydrophobicContact CD1-CB 4.09Å; L527-Y634 HydrophobicContact CD2-CD1 3.58Å; L527-Y634 HydrophobicContact CD2-CE1 3.99Å; L527-Y634 HydrophobicContact CD2-CG 4.24Å; L527-L635 HydrophobicContact CD1-CD1 4.38Å; L527-L635 HydrophobicContact CD2-CD2 4.25Å; L527-L635 HydrophobicContact CD2-CG 4.26Å |
| 528 | V | 96.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.9 | 171.7 | -172.5 | 0 | 0 | 0 | 0 | 107.1 | P455 I503 W505 L526 I583 A592 C593 L595 | P455-V528 HydrophobicContact CB-CG1 4.21Å; P455-V528 HydrophobicContact CB-CG2 4.04Å; P455-V528 HydrophobicContact CG-CG2 4.35Å; I503-V528 HydrophobicContact CG2-CG1 3.68Å; W505-V528 HydrophobicContact CB-CB 4.28Å; W505-V528 HydrophobicContact CB-CG1 4.25Å; W505-V528 HydrophobicContact CB-CG2 3.93Å; L526-V528 HydrophobicContact CD1-CG2 4.32Å; L526-V528 HydrophobicContact CD2-CG2 4.2Å; L526-V528 HydrophobicContact CG-CG2 4.01Å; V528-I583 HydrophobicContact CB-CG2 4.01Å; V528-I583 HydrophobicContact CG1-CG2 3.97Å; V528-I583 HydrophobicContact CG2-CG2 4.18Å; V528-A592 CarbonylContact O-C 3.58Å; V528-A592 WeakPolarHBondContact O-CA 3.37Å; V528-C593 HydrophobicContact CB-CB 4.47Å; V528-C593 PolarHBondContact N-O 2.82Å; V528-C593 PolarHBondContact O-N 2.74Å; V528-L595 HydrophobicContact CG2-CD1 4.45Å |
| 529 | H | 94.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.7 | -174.9 | 66.2 | 89 | 0 | 0 | 0 | 112.6 | D504 A592 L635 | D504-H529 PolarHBondContact N-O 3.36Å; D504-H529 PolarHBondContact O-N 3.08Å; D504-H529 VanDerWaalsContact O-O 3.1Å; H529-A592 HydrophobicContact CB-CB 3.74Å; H529-L635 HydrophobicContact CB-CD2 4.36Å |
| 530 | P | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 142.5 | 167 | -24.2 | 34.3 | 0 | 0 | 0 | 111.9 | G502 I503 L532 I538 I541 L560 F591 | G502-P530 CarbonylContact O-C 3.55Å; G502-P530 WeakPolarHBondContact O-CA 3.3Å; I503-P530 HydrophobicContact CD1-CB 4.01Å; I503-P530 HydrophobicContact CD1-CG 3.91Å; P530-L532 WeakPolarHBondContact O-CG 3.44Å; P530-L532 PolarHBondContact O-N 2.88Å; P530-I538 HydrophobicContact CB-CB 4.41Å; P530-I538 HydrophobicContact CB-CD1 3.97Å; P530-I538 HydrophobicContact CB-CG1 3.88Å; P530-I538 HydrophobicContact CB-CG2 3.75Å; P530-I538 HydrophobicContact CG-CD1 3.99Å; P530-I538 HydrophobicContact CG-CG1 4.43Å; P530-I541 HydrophobicContact CB-CD1 4.1Å; P530-I541 HydrophobicContact CG-CD1 4.09Å; P530-L560 HydrophobicContact CG-CD1 4.1Å; P530-F591 WeakPolarHBondContact CD-O 3.42Å |
| 531 | I | 91.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 29% | 0.292 | 23% | 0.228 | S | C | . | . | trans | -65 | 129 | 170.1 | -63.8 | 173.7 | 0 | 0 | 0 | 107.6 | G502 D504 K539 | G502-I531 PolarHBondContact O-N 3.28Å; D504-I531 HydrophobicContact CB-CD1 4.47Å; D504-I531 HydrophobicContact CB-CG1 3.83Å; I531-K539 HydrophobicContact CB-CB 4.1Å; I531-K539 HydrophobicContact CB-CD 4.43Å; I531-K539 HydrophobicContact CG2-CB 3.99Å; I531-K539 HydrophobicContact CG2-CD 3.87Å; I531-K539 WeakPolarHBondContact O-CB 3.4Å; I531-K539 PolarHBondContact O-N 3.44Å | ||
| 532 | L | 89.8 | Confident | 91.2 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 9% | 0.094 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -108 | 135.7 | -177.3 | -56.9 | 176.5 | 0 | 0 | 0 | 109.6 | P530 S537 I538 L560 L635 Y638 | P530-L532 WeakPolarHBondContact O-CG 3.44Å; P530-L532 PolarHBondContact O-N 2.88Å; L532-S537 CarbonylContact C-O 3.58Å; L532-S537 WeakPolarHBondContact CA-O 2.96Å; L532-I538 HydrophobicContact CD2-CG1 3.65Å; L532-L560 HydrophobicContact CD1-CD2 4.47Å; L532-L635 HydrophobicContact CD1-CD2 4.5Å; L532-Y638 HydrophobicContact CB-CD1 3.59Å; L532-Y638 HydrophobicContact CB-CD2 4.41Å; L532-Y638 HydrophobicContact CB-CE1 4.16Å; L532-Y638 HydrophobicContact CB-CG 3.73Å; L532-Y638 HydrophobicContact CD1-CD1 4.31Å; L532-Y638 HydrophobicContact CD1-CD2 3.69Å; L532-Y638 HydrophobicContact CD1-CG 3.54Å; L532-Y638 HydrophobicContact CG-CG 4.23Å |
| 533 | E | 88.7 | Confident | 90.8 | Very high | 87 Ų | 87 | 41.9 Ų | 41.9 | 41% | 0.407 | 21% | 0.213 | S | C | . | . | trans | -76.7 | 166.6 | 169.3 | -59.5 | -69.2 | 163.9 | 0 | 0 | 110.1 | D535 G536 S537 K539 | E533-D535 PolarHBondContact O-N 2.72Å; E533-D535 VanDerWaalsContact O-N 3.1Å; E533-G536 PolarHBondContact O-N 2.92Å; E533-S537 PolarHBondContact N-O 2.77Å; E533-K539 HydrophobicContact CG-CB 4.38Å; E533-K539 WeakPolarHBondContact OE1-CB 3.23Å; E533-K539 WeakPolarHBondContact OE1-CG 3.24Å | ||
| 534 | D | 85 | Confident | 90.2 | Very high | 166 Ų | 166 | 44.7 Ų | 44.7 | 89% | 0.888 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25 | -178 | -70.8 | -24.3 | 0 | 0 | 0 | 113.7 | G536 | D534-G536 VanDerWaalsContact C-N 3.3Š|
| 535 | D | 85.7 | Confident | 89.4 | Confident | 104 Ų | 104 | 42.9 Ų | 42.9 | 56% | 0.556 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 1.8 | 177.2 | 79.1 | -21.6 | 0 | 0 | 0 | 113.8 | E533 S537 | E533-D535 PolarHBondContact O-N 2.72Å; E533-D535 VanDerWaalsContact O-N 3.1Å; D535-S537 VanDerWaalsContact C-N 3.3Å; D535-S537 WeakPolarHBondContact OD1-CB 3.32Å; D535-S537 PolarHBondContact OD1-N 2.84Å; D535-S537 PolarHBondContact OD1-OG 3.47Å |
| 536 | G | 84.2 | Confident | 88.7 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 80.9 | 3.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E533 D534 Y638 | E533-G536 PolarHBondContact O-N 2.92Å; D534-G536 VanDerWaalsContact C-N 3.3Å; G536-Y638 WeakPolarHBondContact CA-O 3.48Å |
| 537 | S | 88.8 | Confident | 87.8 | Confident | 30 Ų | 30 | 43 Ų | 43 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 150.5 | 170.9 | 67.2 | 0 | 0 | 0 | 0 | 111 | L532 E533 D535 C558 | L532-S537 CarbonylContact C-O 3.58Å; L532-S537 WeakPolarHBondContact CA-O 2.96Å; E533-S537 PolarHBondContact N-O 2.77Å; D535-S537 VanDerWaalsContact C-N 3.3Å; D535-S537 WeakPolarHBondContact OD1-CB 3.32Å; D535-S537 PolarHBondContact OD1-N 2.84Å; D535-S537 PolarHBondContact OD1-OG 3.47Å; S537-C558 CarbonylContact C-O 3.55Å; S537-C558 VanDerWaalsContact CA-O 3.25Å; S537-C558 WeakPolarHBondContact CA-O 3.3Å; S537-C558 WeakPolarHBondContact CB-O 3.13Å |
| 538 | I | 89.3 | Confident | 86.6 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 123.2 | 174.5 | -71.7 | 173.5 | 0 | 0 | 0 | 108 | P530 L532 I541 A557 C558 R559 | P530-I538 HydrophobicContact CB-CB 4.41Å; P530-I538 HydrophobicContact CB-CD1 3.97Å; P530-I538 HydrophobicContact CB-CG1 3.88Å; P530-I538 HydrophobicContact CB-CG2 3.75Å; P530-I538 HydrophobicContact CG-CD1 3.99Å; P530-I538 HydrophobicContact CG-CG1 4.43Å; L532-I538 HydrophobicContact CD2-CG1 3.65Å; I538-I541 HydrophobicContact CG2-CD1 3.83Å; I538-I541 HydrophobicContact CG2-CG1 3.74Å; I538-A557 HydrophobicContact CD1-CB 4.24Å; I538-A557 WeakPolarHBondContact CD1-O 3.48Å; I538-C558 PolarHBondContact N-O 2.64Å; I538-R559 WeakPolarHBondContact CD1-O 3.31Å |
| 539 | K | 88.1 | Confident | 84.9 | Confident | 104 Ų | 104 | 53.4 Ų | 53.4 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 137.7 | 166.3 | -176.2 | 173 | -176 | 174.5 | 0 | 108.7 | I531 E533 I541 | I531-K539 HydrophobicContact CB-CB 4.1Å; I531-K539 HydrophobicContact CB-CD 4.43Å; I531-K539 HydrophobicContact CG2-CB 3.99Å; I531-K539 HydrophobicContact CG2-CD 3.87Å; I531-K539 WeakPolarHBondContact O-CB 3.4Å; I531-K539 PolarHBondContact O-N 3.44Å; E533-K539 HydrophobicContact CG-CB 4.38Å; E533-K539 WeakPolarHBondContact OE1-CB 3.23Å; E533-K539 WeakPolarHBondContact OE1-CG 3.24Å; K539-I541 PolarHBondContact O-N 3.11Å |
| 540 | Q | 85.9 | Confident | 83.9 | Confident | 165 Ų | 165 | 58.3 Ų | 58.3 | 77% | 0.771 | 31% | 0.31 | S | S | * | . | trans | -44.9 | 118.3 | -174.1 | -175.6 | 178 | 6.8 | 0 | 0 | 112 | ||||
| 541 | I | 86.8 | Confident | 82.9 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | trans | -81.4 | 119.2 | 172.8 | -56 | 173.4 | 0 | 0 | 0 | 107.5 | L500 K501 I503 P530 I538 K539 V543 C587 | L500-I541 HydrophobicContact CD1-CG2 3.98Å; K501-I541 WeakPolarHBondContact O-CA 3.19Å; I503-I541 HydrophobicContact CD1-CD1 3.75Å; I503-I541 HydrophobicContact CD1-CG1 4.04Å; I503-I541 HydrophobicContact CD1-CG2 4.23Å; I503-I541 HydrophobicContact CG1-CG2 4.33Å; P530-I541 HydrophobicContact CB-CD1 4.1Å; P530-I541 HydrophobicContact CG-CD1 4.09Å; I538-I541 HydrophobicContact CG2-CD1 3.83Å; I538-I541 HydrophobicContact CG2-CG1 3.74Å; K539-I541 PolarHBondContact O-N 3.11Å; I541-V543 HydrophobicContact CG2-CG1 4.17Å; I541-C587 WeakPolarHBondContact CD1-O 3.36Å | ||
| 542 | D | 85.5 | Confident | 82.3 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 23% | 0.225 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 105.1 | 178.9 | -178.8 | 12.1 | 0 | 0 | 0 | 109.7 | K501 S544 | K501-D542 HydrophobicContact CB-CB 4.03Å; K501-D542 HydrophobicContact CD-CB 4.29Å; K501-D542 HydrophobicContact CG-CB 4.43Å; K501-D542 PolarHBondContact N-O 3.29Å; K501-D542 IonicContact NZ-OD2 3.14Å; K501-D542 PolarHBondContact NZ-OD2 2.92Å; K501-D542 PolarHBondContact O-N 2.82Å; D542-S544 WeakPolarHBondContact OD1-CB 3.39Å; D542-S544 PolarHBondContact OD1-N 3.44Å; D542-S544 PolarHBondContact OD1-OG 2.79Å; D542-S544 PolarHBondContact OD2-OG 2.89Å |
| 543 | V | 85.1 | Confident | 81.7 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | trans | -98.8 | 7.8 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | L10 L500 I541 D545 F546 T547 | L10-V543 HydrophobicContact CD1-CG1 4.4Å; L500-V543 HydrophobicContact CD1-CB 4.48Å; L500-V543 HydrophobicContact CD1-CG1 3.58Å; I541-V543 HydrophobicContact CG2-CG1 4.17Å; V543-D545 PolarHBondContact O-N 3.44Å; V543-F546 PolarHBondContact O-N 2.86Å; V543-T547 HydrophobicContact CB-CG2 3.97Å; V543-T547 HydrophobicContact CG2-CG2 3.6Å; V543-T547 PolarHBondContact O-N 3.04Å; V543-T547 PolarHBondContact O-OG1 2.88Å | ||
| 544 | S | 83.6 | Confident | 81.3 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 42% | 0.42 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -28.3 | -169.9 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | D542 F546 | D542-S544 WeakPolarHBondContact OD1-CB 3.39Å; D542-S544 PolarHBondContact OD1-N 3.44Å; D542-S544 PolarHBondContact OD1-OG 2.79Å; D542-S544 PolarHBondContact OD2-OG 2.89Å; S544-F546 PolarHBondContact O-N 2.79Å; S544-F546 VanDerWaalsContact O-N 3.16Å |
| 545 | D | 81.2 | Confident | 81.2 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.064 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -18.6 | 172.1 | -75.6 | -11.1 | 0 | 0 | 0 | 112.6 | H496 R498 S499 V543 | H496-D545 IonicContact CD2-OD1 2.74Å; H496-D545 IonicContact CD2-OD2 3.77Å; H496-D545 IonicContact CE1-OD1 3.55Å; H496-D545 IonicContact NE2-OD1 3.01Å; H496-D545 PolarHBondContact NE2-OD1 3.35Å; H496-D545 IonicContact NE2-OD2 3.17Å; R498-D545 HydrophobicContact CB-CB 4.18Å; R498-D545 WeakPolarHBondContact CD-O 3.47Å; R498-D545 HydrophobicContact CG-CB 4.3Å; S499-D545 PolarHBondContact N-OD2 2.89Å; V543-D545 PolarHBondContact O-N 3.44Å |
| 546 | F | 82.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -112.6 | -34.7 | -177.4 | -55.2 | -86.6 | 0 | 0 | 0 | 113.7 | F13 L14 T16 P458 R498 L500 V543 S544 F548 W579 | F13-F546 HydrophobicContact CB-CB 4.4Å; F13-F546 WeakPolarHBondContact CB-O 3.1Å; F13-F546 WeakPolarHBondContact CD1-O 3.5Å; F13-F546 WeakPolarHBondContact CG-O 3.33Å; L14-F546 HydrophobicContact CD2-CB 4.42Å; L14-F546 HydrophobicContact CD2-CD1 4.43Å; L14-F546 HydrophobicContact CD2-CD2 4.41Å; L14-F546 HydrophobicContact CD2-CG 4.17Å; T16-F546 HydrophobicContact CG2-CD1 3.81Å; T16-F546 HydrophobicContact CG2-CE1 3.78Å; P458-F546 HydrophobicContact CG-CE1 4.06Å; P458-F546 HydrophobicContact CG-CZ 4.4Å; R498-F546 HydrophobicContact CB-CE1 4.46Å; R498-F546 HydrophobicContact CB-CZ 4.36Å; L500-F546 HydrophobicContact CB-CE2 4.1Å; V543-F546 PolarHBondContact O-N 2.86Å; S544-F546 PolarHBondContact O-N 2.79Å; S544-F546 VanDerWaalsContact O-N 3.16Å; F546-F548 WeakPolarHBondContact O-CD2 3.45Å; F546-F548 PolarHBondContact O-N 2.85Å; F546-W579 HydrophobicContact CD1-CH2 4.48Å; F546-W579 HydrophobicContact CD1-CZ2 4.43Å; F546-W579 AromaticContact CE1-CH2 3.7Å; F546-W579 HydrophobicContact CE1-CH2 3.7Å; F546-W579 AromaticContact CE1-CZ2 3.82Å; F546-W579 HydrophobicContact CE1-CZ2 3.82Å; F546-W579 HydrophobicContact CE2-CH2 4.2Å; F546-W579 AromaticContact CZ-CH2 3.53Å; F546-W579 HydrophobicContact CZ-CH2 3.53Å; F546-W579 HydrophobicContact CZ-CZ2 4.15Å; F546-W579 HydrophobicContact CZ-CZ3 4.11Å |
| 547 | T | 78.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -88.9 | 3.7 | -168.7 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | F13 V543 A549 K550 L552 | F13-T547 HydrophobicContact CD2-CG2 3.96Å; V543-T547 HydrophobicContact CB-CG2 3.97Å; V543-T547 HydrophobicContact CG2-CG2 3.6Å; V543-T547 PolarHBondContact O-N 3.04Å; V543-T547 PolarHBondContact O-OG1 2.88Å; T547-A549 VanDerWaalsContact C-N 3.31Å; T547-A549 PolarHBondContact O-N 2.91Å; T547-K550 WeakPolarHBondContact O-CB 3.46Å; T547-K550 PolarHBondContact O-N 3.37Å; T547-K550 PolarHBondContact OG1-O 2.87Å; T547-L552 HydrophobicContact CG2-CD1 3.72Å |
| 548 | F | 72.9 | Confident | 80 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 54% | 0.544 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 50.9 | -178.9 | -58.4 | -87.4 | 0 | 0 | 0 | 112.5 | F13 F546 K550 | F13-F548 AromaticContact CD1-CD2 3.83Å; F13-F548 HydrophobicContact CD1-CD2 3.83Å; F13-F548 HydrophobicContact CD1-CE2 4.03Å; F13-F548 AromaticContact CE1-CD2 3.57Å; F13-F548 HydrophobicContact CE1-CD2 3.57Å; F13-F548 HydrophobicContact CE1-CE2 4.09Å; F13-F548 HydrophobicContact CZ-CD2 4.36Å; F546-F548 WeakPolarHBondContact O-CD2 3.45Å; F546-F548 PolarHBondContact O-N 2.85Å; F548-K550 VanDerWaalsContact C-N 3.27Å; F548-K550 PolarHBondContact O-N 3.04Å |
| 549 | A | 61.6 | Low | 79.9 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 80% | 0.802 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 12.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | T547 D551 | T547-A549 VanDerWaalsContact C-N 3.31Å; T547-A549 PolarHBondContact O-N 2.91Å; A549-D551 PolarHBondContact O-N 3.45Å |
| 550 | K | 72.2 | Confident | 80.1 | Confident | 109 Ų | 109 | 63 Ų | 63 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | trans | -70.9 | 123.1 | 165.6 | -74.2 | -165.7 | -173.6 | 165.8 | 0 | 110.3 | T9 F13 T547 F548 L552 | T9-K550 HydrophobicContact CG2-CD 3.93Å; F13-K550 HydrophobicContact CE2-CD 3.95Å; F13-K550 HydrophobicContact CZ-CD 4.13Å; T547-K550 WeakPolarHBondContact O-CB 3.46Å; T547-K550 PolarHBondContact O-N 3.37Å; T547-K550 PolarHBondContact OG1-O 2.87Å; F548-K550 VanDerWaalsContact C-N 3.27Å; F548-K550 PolarHBondContact O-N 3.04Å; K550-L552 PolarHBondContact O-N 3.04Å | ||
| 551 | D | 74.2 | Confident | 80.4 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | trans | -71.3 | 114.8 | 169.1 | -171.8 | -6 | 0 | 0 | 0 | 109.7 | A549 T553 | A549-D551 PolarHBondContact O-N 3.45Å; D551-T553 WeakPolarHBondContact OD1-CB 3.34Å; D551-T553 WeakPolarHBondContact OD1-CG2 3.23Å; D551-T553 PolarHBondContact OD1-N 2.73Å; D551-T553 PolarHBondContact OD1-OG1 2.8Å; D551-T553 PolarHBondContact OD2-OG1 3.15Å | ||
| 552 | L | 79 | Confident | 80.7 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | trans | -116.3 | 23 | 175.7 | -62.9 | -179.4 | 0 | 0 | 0 | 111.2 | T9 L10 T547 K550 E554 I555 | T9-L552 HydrophobicContact CG2-CD1 4.5Å; T9-L552 HydrophobicContact CG2-CD2 4.35Å; L10-L552 HydrophobicContact CB-CD1 4.05Å; L10-L552 HydrophobicContact CD1-CD1 4.23Å; T547-L552 HydrophobicContact CG2-CD1 3.72Å; K550-L552 PolarHBondContact O-N 3.04Å; L552-E554 PolarHBondContact O-N 3.33Å; L552-I555 HydrophobicContact CB-CD1 4.18Å; L552-I555 HydrophobicContact CB-CG1 4.04Å; L552-I555 HydrophobicContact CD1-CD1 4.36Å; L552-I555 WeakPolarHBondContact O-CG1 3.27Å; L552-I555 PolarHBondContact O-N 3.35Å | ||
| 553 | T | 76.5 | Confident | 81.3 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26.8 | -179.9 | 46.8 | 0 | 0 | 0 | 0 | 113.4 | D551 I555 V556 | D551-T553 WeakPolarHBondContact OD1-CB 3.34Å; D551-T553 WeakPolarHBondContact OD1-CG2 3.23Å; D551-T553 PolarHBondContact OD1-N 2.73Å; D551-T553 PolarHBondContact OD1-OG1 2.8Å; D551-T553 PolarHBondContact OD2-OG1 3.15Å; T553-I555 VanDerWaalsContact C-N 3.26Å; T553-I555 PolarHBondContact O-N 2.86Å; T553-V556 PolarHBondContact O-N 3.14Å |
| 554 | E | 79.2 | Confident | 81.9 | Confident | 115 Ų | 115 | 56.4 Ų | 56.4 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -21.7 | 177.8 | 63 | 170 | -167.5 | 0 | 0 | 115.1 | S6 L552 | S6-E554 VanDerWaalsContact CB-OE1 3.24Å; S6-E554 WeakPolarHBondContact CB-OE1 3.17Å; S6-E554 PolarHBondContact OG-OE1 2.85Å; L552-E554 PolarHBondContact O-N 3.33Å |
| 555 | I | 83.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -18.1 | 178.5 | 59.3 | 170.4 | 0 | 0 | 0 | 113.3 | L2 L10 L552 T553 A557 | L2-I555 HydrophobicContact CB-CG2 4.07Å; L2-I555 HydrophobicContact CD1-CB 4.13Å; L2-I555 HydrophobicContact CD1-CG2 4.24Å; L2-I555 HydrophobicContact CD2-CB 4.38Å; L2-I555 HydrophobicContact CD2-CG2 4.14Å; L2-I555 HydrophobicContact CG-CG2 4.36Å; L10-I555 HydrophobicContact CB-CD1 3.84Å; L10-I555 HydrophobicContact CD2-CD1 3.73Å; L10-I555 HydrophobicContact CG-CD1 4.32Å; L552-I555 HydrophobicContact CB-CD1 4.18Å; L552-I555 HydrophobicContact CB-CG1 4.04Å; L552-I555 HydrophobicContact CD1-CD1 4.36Å; L552-I555 WeakPolarHBondContact O-CG1 3.27Å; L552-I555 PolarHBondContact O-N 3.35Å; T553-I555 VanDerWaalsContact C-N 3.26Å; T553-I555 PolarHBondContact O-N 2.86Å; I555-A557 PolarHBondContact O-N 3.27Å |
| 556 | V | 75.7 | Confident | 83.5 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -68.8 | 125.4 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | T553 | T553-V556 PolarHBondContact O-N 3.14Š|
| 557 | A | 76.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | trans | -83.4 | 140.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I538 I555 R559 R561 I589 | I538-A557 HydrophobicContact CD1-CB 4.24Å; I538-A557 WeakPolarHBondContact CD1-O 3.48Å; I555-A557 PolarHBondContact O-N 3.27Å; A557-R559 VanDerWaalsContact C-N 3.28Å; A557-R559 WeakPolarHBondContact CB-O 3.41Å; A557-R561 HydrophobicContact CB-CG 4.17Å; A557-I589 WeakPolarHBondContact CB-O 3.41Å | ||
| 558 | C | 81.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 55 Ų | 55 | 70% | 0.703 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -79.8 | -10.8 | 171.5 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | S537 I538 | S537-C558 CarbonylContact C-O 3.55Å; S537-C558 VanDerWaalsContact CA-O 3.25Å; S537-C558 WeakPolarHBondContact CA-O 3.3Å; S537-C558 WeakPolarHBondContact CB-O 3.13Å; I538-C558 PolarHBondContact N-O 2.64Å |
| 559 | R | 87.3 | Confident | 86.3 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | B | Isolated β-bridge | trans | -146.5 | 156.1 | -179 | -72.9 | -170.2 | 174.2 | -173.1 | -4.3 | 110.5 | I538 A557 R561 | I538-R559 WeakPolarHBondContact CD1-O 3.31Å; A557-R559 VanDerWaalsContact C-N 3.28Å; A557-R559 WeakPolarHBondContact CB-O 3.41Å; R559-R561 PolarHBondContact O-N 3.19Å |
| 560 | L | 91.5 | Very high | 87.7 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | trans | -64 | 127.2 | 175.9 | -158 | 70.4 | 0 | 0 | 0 | 110.7 | P530 L532 G590 A592 L635 L642 | P530-L560 HydrophobicContact CG-CD1 4.1Å; L532-L560 HydrophobicContact CD1-CD2 4.47Å; L560-G590 CarbonylContact C-O 3.57Å; L560-G590 WeakPolarHBondContact CA-O 3.4Å; L560-G590 WeakPolarHBondContact CD1-O 3.45Å; L560-A592 HydrophobicContact CD1-CB 4.17Å; L560-A592 HydrophobicContact CD2-CB 4.24Å; L560-L635 HydrophobicContact CD2-CD1 4.11Å; L560-L635 HydrophobicContact CD2-CD2 4.35Å; L560-L642 HydrophobicContact CB-CD1 4.14Å; L560-L642 HydrophobicContact CD2-CD1 3.66Å; L560-L642 HydrophobicContact CD2-CD2 3.46Å; L560-L642 VanDerWaalsContact CD2-CD2 3.46Å; L560-L642 HydrophobicContact CD2-CG 4.22Å; L560-L642 HydrophobicContact CG-CD1 3.82Å; L560-L642 HydrophobicContact CG-CD2 4.4Å | ||
| 561 | R | 92.1 | Very high | 88.8 | Confident | 92 Ų | 92 | 42 Ų | 42 | 35% | 0.347 | 23% | 0.226 | S | C | . | . | trans | -88.6 | -31 | -176.6 | -59.1 | -170.9 | -177.9 | -87.4 | -0.2 | 113 | A557 R559 I589 G590 F591 L797 | A557-R561 HydrophobicContact CB-CG 4.17Å; R559-R561 PolarHBondContact O-N 3.19Å; R561-I589 VanDerWaalsContact CD-O 3.28Å; R561-I589 WeakPolarHBondContact CD-O 3.3Å; R561-I589 PolarHBondContact NE-O 2.91Å; R561-G590 PolarHBondContact N-O 2.88Å; R561-F591 HydrophobicContact CB-CD1 4.27Å; R561-F591 HydrophobicContact CB-CE1 3.91Å; R561-F591 HydrophobicContact CB-CE2 4.18Å; R561-F591 HydrophobicContact CB-CZ 3.86Å; R561-L797 VanDerWaalsContact CD-CD2 3.43Å | ||
| 562 | G | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | 175 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A592 L642 K643 | G562-A592 PolarHBondContact O-N 3.5Å; G562-L642 VanDerWaalsContact CA-CD1 3.46Å; G562-K643 VanDerWaalsContact CA-O 3.28Å; G562-K643 WeakPolarHBondContact CA-O 3.37Å |
| 563 | L | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.6 | 170.5 | 178.7 | 67.7 | 0 | 0 | 0 | 109.1 | L527 V565 A592 L594 T628 A631 L632 L635 L642 K643 A644 V645 | L527-L563 HydrophobicContact CD1-CD1 3.95Å; L563-V565 HydrophobicContact CD2-CG2 4.03Å; L563-V565 HydrophobicContact CG-CG2 4.09Å; L563-A592 CarbonylContact C-O 3.51Å; L563-A592 HydrophobicContact CD1-CB 3.71Å; L563-L594 HydrophobicContact CD1-CB 3.95Å; L563-L594 HydrophobicContact CD2-CD2 4.43Å; L563-L594 HydrophobicContact CG-CB 4.43Å; L563-T628 HydrophobicContact CD2-CG2 4.48Å; L563-A631 HydrophobicContact CD1-CB 4.37Å; L563-A631 HydrophobicContact CD2-CB 3.71Å; L563-L632 HydrophobicContact CB-CD2 4.11Å; L563-L632 HydrophobicContact CD2-CD2 3.85Å; L563-L632 HydrophobicContact CD2-CG 3.94Å; L563-L635 HydrophobicContact CD1-CD1 4.06Å; L563-L642 HydrophobicContact CB-CD2 3.96Å; L563-K643 PolarHBondContact N-O 3.12Å; L563-A644 CarbonylContact O-C 3.58Å; L563-A644 VanDerWaalsContact O-CA 3.3Å; L563-A644 WeakPolarHBondContact O-CA 3.33Å; L563-V645 PolarHBondContact O-N 2.79Å |
| 564 | I | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.2 | 170.9 | -52.4 | 175.8 | 0 | 0 | 0 | 107.9 | M566 F586 F591 A592 C593 L594 V645 F647 F796 | I564-M566 HydrophobicContact CB-CG 4.48Å; I564-M566 HydrophobicContact CG2-CG 3.67Å; I564-M566 HydrophobicContact CG2-SD 4.02Å; I564-F586 HydrophobicContact CD1-CB 3.65Å; I564-F586 HydrophobicContact CD1-CD1 3.8Å; I564-F586 HydrophobicContact CD1-CD2 3.47Å; I564-F586 VanDerWaalsContact CD1-CD2 3.47Å; I564-F586 HydrophobicContact CD1-CE1 4.29Å; I564-F586 HydrophobicContact CD1-CE2 3.99Å; I564-F586 HydrophobicContact CD1-CG 3.37Å; I564-F586 HydrophobicContact CD1-CZ 4.37Å; I564-F591 HydrophobicContact CD1-CB 3.67Å; I564-F591 HydrophobicContact CD1-CD1 4.04Å; I564-F591 HydrophobicContact CD1-CD2 4.26Å; I564-F591 HydrophobicContact CD1-CG 3.73Å; I564-F591 HydrophobicContact CG1-CB 3.89Å; I564-F591 HydrophobicContact CG1-CD1 3.72Å; I564-F591 HydrophobicContact CG1-CG 3.91Å; I564-A592 PolarHBondContact N-O 3.1Å; I564-C593 WeakPolarHBondContact O-CA 3.34Å; I564-L594 PolarHBondContact O-N 2.9Å; I564-V645 WeakPolarHBondContact CA-O 3.49Å; I564-V645 HydrophobicContact CB-CG2 4.08Å; I564-V645 HydrophobicContact CG1-CG2 3.65Å; I564-V645 HydrophobicContact CG2-CG2 4.23Å; I564-F647 HydrophobicContact CG2-CB 3.71Å; I564-F796 HydrophobicContact CD1-CD2 4.17Å; I564-F796 HydrophobicContact CD1-CE2 3.96Å; I564-F796 HydrophobicContact CG1-CE2 4.36Å; I564-F796 HydrophobicContact CG2-CE2 4.47Å |
| 565 | V | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.8 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L563 P567 L594 I596 T628 A644 V645 L646 F647 Y667 | L563-V565 HydrophobicContact CD2-CG2 4.03Å; L563-V565 HydrophobicContact CG-CG2 4.09Å; V565-P567 WeakPolarHBondContact O-CD 3.22Å; V565-L594 HydrophobicContact CG1-CD2 4.36Å; V565-L594 HydrophobicContact CG2-CD2 4.24Å; V565-I596 HydrophobicContact CG1-CD1 3.69Å; V565-T628 WeakPolarHBondContact CG1-OG1 3.22Å; V565-T628 HydrophobicContact CG2-CG2 3.93Å; V565-T628 WeakPolarHBondContact CG2-OG1 3.43Å; V565-A644 HydrophobicContact CG2-CB 4.26Å; V565-V645 PolarHBondContact N-O 2.91Å; V565-L646 HydrophobicContact CB-CD2 4.11Å; V565-L646 HydrophobicContact CG1-CD2 4.18Å; V565-F647 PolarHBondContact O-N 3.27Å; V565-Y667 HydrophobicContact CB-CE1 4.31Å; V565-Y667 HydrophobicContact CG1-CE1 4.33Å; V565-Y667 HydrophobicContact CG2-CE1 4.09Å |
| 566 | M | 98.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 77.9 | -166.4 | -61 | 178.6 | 59.9 | 0 | 0 | 111.6 | I564 I583 F586 C593 L594 F647 | I564-M566 HydrophobicContact CB-CG 4.48Å; I564-M566 HydrophobicContact CG2-CG 3.67Å; I564-M566 HydrophobicContact CG2-SD 4.02Å; M566-I583 HydrophobicContact CE-CD1 4.35Å; M566-I583 HydrophobicContact CE-CG1 3.95Å; M566-I583 HydrophobicContact SD-CG1 4.23Å; M566-F586 HydrophobicContact SD-CD2 4.45Å; M566-C593 HydrophobicContact SD-CB 4.08Å; M566-L594 WeakPolarHBondContact CA-O 3.45Å; M566-L594 WeakPolarHBondContact CB-O 3.28Å; M566-L594 PolarHBondContact N-O 3.37Å; M566-F647 VanDerWaalsContact CA-O 3.32Å; M566-F647 WeakPolarHBondContact CA-O 3.4Å; M566-F647 HydrophobicContact CE-CD1 3.9Å; M566-F647 HydrophobicContact CE-CE1 4.22Å; M566-F647 HydrophobicContact CG-CB 4.39Å; M566-F647 HydrophobicContact CG-CD1 4.31Å |
| 567 | P | 98.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.8 | 168.5 | 29.2 | -32.8 | 0 | 0 | 0 | 110 | V565 Y598 G652 L655 | V565-P567 WeakPolarHBondContact O-CD 3.22Å; P567-Y598 HydrophobicContact CB-CE1 4.23Å; P567-G652 WeakPolarHBondContact CG-O 3.42Å; P567-G652 WeakPolarHBondContact O-CA 3.44Å; P567-L655 HydrophobicContact CB-CB 4.02Å; P567-L655 HydrophobicContact CB-CD1 3.63Å; P567-L655 HydrophobicContact CB-CG 4.48Å; P567-L655 HydrophobicContact CG-CB 3.91Å; P567-L655 HydrophobicContact CG-CD1 4.45Å |
| 568 | H | 98.3 | Very high | 94.7 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | trans | -74.2 | 165.3 | 178.2 | 65 | 78 | 0 | 0 | 0 | 112.6 | P571 S573 I596 Y598 S601 G652 | H568-P571 PolarHBondContact CE1-O 3.14Å; H568-S573 VanDerWaalsContact CE1-C 3.44Å; H568-S573 PolarHBondContact CE1-O 2.82Å; H568-S573 VanDerWaalsContact CE1-O 3.25Å; H568-I596 PolarHBondContact CD2-O 3.47Å; H568-Y598 AromaticContact CE1-CE1 3.98Å; H568-Y598 AromaticContact CE1-CZ 3.48Å; H568-Y598 VanDerWaalsContact CE1-CZ 3.48Å; H568-Y598 PolarHBondContact CE1-OH 2.71Å; H568-Y598 VanDerWaalsContact CE1-OH 3.24Å; H568-Y598 AromaticContact ND1-CZ 3.88Å; H568-Y598 PolarHBondContact ND1-OH 3.33Å; H568-Y598 AromaticContact NE2-CE1 3.82Å; H568-Y598 AromaticContact NE2-CZ 3.76Å; H568-Y598 PolarHBondContact O-OH 3.22Å; H568-S601 PolarHBondContact NE2-OG 3.03Å; H568-G652 WeakPolarHBondContact O-CA 3.29Å; H568-G652 PolarHBondContact O-N 3.32Å; H568-G652 VanDerWaalsContact O-N 3.09Å | ||
| 569 | G | 97.2 | Very high | 95.3 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 24% | 0.237 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -78 | -178.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S573 G649 | G569-S573 WeakPolarHBondContact O-CB 3.28Å; G569-G649 WeakPolarHBondContact CA-O 3.45Å |
| 570 | G | 89.5 | Confident | 95.6 | Very high | 31 Ų | 31 | 21.4 Ų | 21.4 | 32% | 0.32 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 28 | 96.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H572 S573 | G570-H572 CarbonylContact O-C 3.53Å; G570-H572 WeakPolarHBondContact O-CA 3.35Å; G570-H572 PolarHBondContact O-N 3.34Å; G570-S573 WeakPolarHBondContact O-CB 3.45Å; G570-S573 PolarHBondContact O-N 3.43Å |
| 571 | P | 96 | Very high | 95.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -51.1 | -29.8 | -147.2 | 18.4 | -29.2 | 0 | 0 | 0 | 114.2 | H568 S573 Y598 G600 L612 W691 E695 | H568-P571 PolarHBondContact CE1-O 3.14Å; P571-S573 VanDerWaalsContact C-N 3.29Å; P571-S573 PolarHBondContact O-N 3.07Å; P571-Y598 HydrophobicContact CB-CE2 4.24Å; P571-G600 CarbonylContact O-C 3.54Å; P571-L612 HydrophobicContact CB-CD2 3.39Å; P571-L612 HydrophobicContact CG-CD2 4.29Å; P571-W691 HydrophobicContact CG-CZ2 4.32Å; P571-E695 HydrophobicContact CG-CG 4.03Å; P571-E695 WeakPolarHBondContact CG-OE1 3.12Å; P571-E695 VanDerWaalsContact CG-OE2 3.3Å; P571-E695 WeakPolarHBondContact CG-OE2 3.44Å |
| 572 | H | 96.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -82.9 | 54 | 168.2 | -45.3 | -51.2 | 0 | 0 | 0 | 115.1 | P332 G334 G570 G600 L602 V609 I613 E695 | P332-H572 VanDerWaalsContact CB-CD2 3.43Å; P332-H572 WeakPolarHBondContact CB-CD2 3.28Å; P332-H572 WeakPolarHBondContact CB-NE2 3.24Å; G334-H572 WeakPolarHBondContact O-CB 3.15Å; G570-H572 CarbonylContact O-C 3.53Å; G570-H572 WeakPolarHBondContact O-CA 3.35Å; G570-H572 PolarHBondContact O-N 3.34Å; H572-G600 WeakPolarHBondContact CA-O 3.39Å; H572-G600 PolarHBondContact ND1-O 3.35Å; H572-L602 HydrophobicContact CB-CD2 4.14Å; H572-L602 WeakPolarHBondContact O-CD1 2.94Å; H572-L602 WeakPolarHBondContact O-CD2 3.49Å; H572-L602 WeakPolarHBondContact O-CG 3.17Å; H572-V609 HydrophobicContact CB-CG1 4.28Å; H572-V609 PolarHBondContact CE1-O 2.83Å; H572-V609 VanDerWaalsContact ND1-CG1 3.34Å; H572-V609 WeakPolarHBondContact ND1-CG1 3.23Å; H572-I613 WeakPolarHBondContact NE2-CD1 3.38Å; H572-E695 IonicContact CD2-OE1 3.28Å; H572-E695 PolarHBondContact CD2-OE1 3.17Å; H572-E695 IonicContact CE1-OE2 3.61Å; H572-E695 IonicContact NE2-OE1 3.11Å; H572-E695 PolarHBondContact NE2-OE1 3.01Å; H572-E695 IonicContact NE2-OE2 3.38Å; H572-E695 PolarHBondContact NE2-OE2 2.9Å; H572-E695 VanDerWaalsContact NE2-OE2 3.17Å |
| 573 | S | 95.3 | Very high | 96 | Very high | 51 Ų | 51 | 19.2 Ų | 19.2 | 36% | 0.357 | 12% | 0.122 | S | C | . | . | trans | -122.7 | -166.5 | 167.3 | -165.4 | 0 | 0 | 0 | 0 | 108.6 | H568 G569 G570 P571 S601 L602 | H568-S573 VanDerWaalsContact CE1-C 3.44Å; H568-S573 PolarHBondContact CE1-O 2.82Å; H568-S573 VanDerWaalsContact CE1-O 3.25Å; G569-S573 WeakPolarHBondContact O-CB 3.28Å; G570-S573 WeakPolarHBondContact O-CB 3.45Å; G570-S573 PolarHBondContact O-N 3.43Å; P571-S573 VanDerWaalsContact C-N 3.29Å; P571-S573 PolarHBondContact O-N 3.07Å; S573-S601 CarbonylContact O-C 3.53Å; S573-S601 VanDerWaalsContact O-CA 3.22Å; S573-S601 WeakPolarHBondContact O-CA 3.4Å; S573-S601 WeakPolarHBondContact O-CB 3.25Å; S573-L602 PolarHBondContact O-N 2.83Å | ||
| 574 | H | 95.2 | Very high | 95.9 | Very high | 31 Ų | 31 | 19.3 Ų | 19.3 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | trans | -149.8 | 155.9 | 170.2 | 74.4 | -54.2 | 0 | 0 | 0 | 110.7 | C396 N576 L602 | C396-H574 PolarHBondContact SG-CE1 3.48Å; H574-N576 PolarHBondContact NE2-ND2 2.74Å; H574-L602 HydrophobicContact CB-CB 4.33Å | ||
| 575 | S | 97 | Very high | 95.7 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 8% | 0.077 | 12% | 0.123 | C | C | . | . | trans | -88.2 | 140.2 | 159.1 | -64 | 0 | 0 | 0 | 0 | 109.4 | F399 N597 | F399-S575 WeakPolarHBondContact CD1-O 3.48Å; S575-N597 WeakPolarHBondContact CB-OD1 3.28Å; S575-N597 PolarHBondContact N-OD1 3.5Å; S575-N597 PolarHBondContact O-ND2 2.84Å; S575-N597 VanDerWaalsContact O-ND2 3.08Å; S575-N597 PolarHBondContact O-OD1 3.41Å | ||
| 576 | N | 95.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 19.3 Ų | 19.3 | 26% | 0.257 | 12% | 0.123 | S | C | . | . | trans | -123.9 | 162.1 | 171.9 | 60.3 | 48.7 | 0 | 0 | 0 | 111.7 | F399 V401 H574 S578 | F399-N576 CarbonylContact O-C 3.49Å; F399-N576 WeakPolarHBondContact O-CA 3.33Å; F399-N576 VanDerWaalsContact O-CB 3.31Å; F399-N576 WeakPolarHBondContact O-CB 2.84Å; V401-N576 HydrophobicContact CG2-CB 4.43Å; H574-N576 PolarHBondContact NE2-ND2 2.74Å; N576-S578 PolarHBondContact O-N 3.37Å; N576-S578 VanDerWaalsContact O-N 3.12Å; N576-S578 WeakPolarHBondContact OD1-CB 3.03Å; N576-S578 PolarHBondContact OD1-N 3.21Å; N576-S578 PolarHBondContact OD1-OG 3.14Å | ||
| 577 | A | 95 | Very high | 95.4 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -84.8 | 62.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F399 S437 P455 W505 L526 | F399-A577 PolarHBondContact O-N 2.86Å; S437-A577 PolarHBondContact OG-O 3.19Å; S437-A577 VanDerWaalsContact OG-O 3.1Å; P455-A577 HydrophobicContact CG-CB 3.99Å; W505-A577 HydrophobicContact CE3-CB 4.28Å; W505-A577 HydrophobicContact CH2-CB 4.02Å; W505-A577 HydrophobicContact CZ3-CB 3.78Å; L526-A577 HydrophobicContact CD2-CB 4.12Å |
| 578 | S | 94.4 | Very high | 95 | Very high | 22 Ų | 22 | 18 Ų | 18 | 15% | 0.154 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -112.3 | 168.4 | 170.8 | -57 | 0 | 0 | 0 | 0 | 110.3 | S437 S453 N576 S580 | S437-S578 WeakPolarHBondContact CB-OG 3.32Å; S437-S578 PolarHBondContact OG-OG 2.88Å; S453-S578 WeakPolarHBondContact OG-CA 3.37Å; S453-S578 VanDerWaalsContact OG-CB 3.25Å; S453-S578 WeakPolarHBondContact OG-CB 3.45Å; N576-S578 PolarHBondContact O-N 3.37Å; N576-S578 VanDerWaalsContact O-N 3.12Å; N576-S578 WeakPolarHBondContact OD1-CB 3.03Å; N576-S578 PolarHBondContact OD1-N 3.21Å; N576-S578 PolarHBondContact OD1-OG 3.14Å; S578-S580 PolarHBondContact O-N 3.14Å |
| 579 | W | 93.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 17.1 Ų | 17.1 | 6% | 0.057 | 11% | 0.112 | C | C | . | . | trans | -59.8 | 135.9 | 174.7 | 180 | -106.2 | 0 | 0 | 0 | 111.6 | L14 T16 S453 S454 P458 L500 F546 A584 | L14-W579 HydrophobicContact CD2-CH2 4.02Å; L14-W579 HydrophobicContact CD2-CZ2 4Å; L14-W579 PolarHBondContact O-NE1 3.35Å; T16-W579 HydrophobicContact CG2-CZ2 4.31Å; T16-W579 PolarHBondContact OG1-NE1 3.23Å; S453-W579 PolarHBondContact OG-N 3.01Å; S454-W579 VanDerWaalsContact O-CA 3.32Å; S454-W579 WeakPolarHBondContact O-CA 3.49Å; S454-W579 PolarHBondContact O-N 3.44Å; P458-W579 HydrophobicContact CB-CD2 4.08Å; P458-W579 HydrophobicContact CB-CG 4.18Å; L500-W579 HydrophobicContact CB-CH2 4.41Å; L500-W579 HydrophobicContact CB-CZ3 4.18Å; F546-W579 HydrophobicContact CD1-CH2 4.48Å; F546-W579 HydrophobicContact CD1-CZ2 4.43Å; F546-W579 AromaticContact CE1-CH2 3.7Å; F546-W579 HydrophobicContact CE1-CH2 3.7Å; F546-W579 AromaticContact CE1-CZ2 3.82Å; F546-W579 HydrophobicContact CE1-CZ2 3.82Å; F546-W579 HydrophobicContact CE2-CH2 4.2Å; F546-W579 AromaticContact CZ-CH2 3.53Å; F546-W579 HydrophobicContact CZ-CH2 3.53Å; F546-W579 HydrophobicContact CZ-CZ2 4.15Å; F546-W579 HydrophobicContact CZ-CZ3 4.11Å; W579-A584 HydrophobicContact CH2-CB 3.72Å; W579-A584 HydrophobicContact CZ2-CB 4.01Å; W579-A584 HydrophobicContact CZ3-CB 4.08Å | ||
| 580 | S | 94.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 16 Ų | 16 | 22% | 0.224 | 10% | 0.101 | C | C | . | . | trans | -139.6 | 115.3 | 173.3 | 168.6 | 0 | 0 | 0 | 0 | 109.6 | S578 M582 I583 A584 | S578-S580 PolarHBondContact O-N 3.14Å; S580-M582 PolarHBondContact O-N 3.26Å; S580-M582 VanDerWaalsContact O-N 3.14Å; S580-I583 PolarHBondContact O-N 2.72Å; S580-I583 PolarHBondContact OG-N 3.14Å; S580-A584 VanDerWaalsContact O-CB 3.31Å; S580-A584 WeakPolarHBondContact O-CB 3.18Å; S580-A584 PolarHBondContact O-N 2.92Å | ||
| 581 | P | 93.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 14.5 Ų | 14.5 | 20% | 0.201 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.3 | -33.1 | 177.6 | -27.4 | 34.8 | 0 | 0 | 0 | 113.1 | F11 L14 G585 | F11-P581 HydrophobicContact CE2-CB 4.08Å; L14-P581 HydrophobicContact CB-CB 4.3Å; L14-P581 WeakPolarHBondContact O-CB 3.39Å; L14-P581 WeakPolarHBondContact O-CG 3.1Å; P581-G585 PolarHBondContact O-N 2.92Å |
| 582 | M | 95 | Very high | 94.8 | Very high | 31 Ų | 31 | 14.5 Ų | 14.5 | 15% | 0.153 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71.2 | -46.2 | 179.4 | -176.7 | 169.2 | -76 | 0 | 0 | 112.1 | F11 S580 G585 F586 F647 V788 | F11-M582 HydrophobicContact CE2-CB 4.4Å; S580-M582 PolarHBondContact O-N 3.26Å; S580-M582 VanDerWaalsContact O-N 3.14Å; M582-G585 PolarHBondContact O-N 3.11Å; M582-F586 HydrophobicContact CG-CD2 3.95Å; M582-F586 HydrophobicContact CG-CE2 3.39Å; M582-F586 HydrophobicContact CG-CZ 3.76Å; M582-F586 WeakPolarHBondContact O-CD2 3.13Å; M582-F586 VanDerWaalsContact O-CG 3.29Å; M582-F586 WeakPolarHBondContact O-CG 3.49Å; M582-F586 PolarHBondContact O-N 3.25Å; M582-F586 HydrophobicContact SD-CE2 4.02Å; M582-F586 HydrophobicContact SD-CZ 4.24Å; M582-F647 HydrophobicContact CE-CE1 4.48Å; M582-F647 HydrophobicContact CE-CZ 3.98Å; M582-F647 HydrophobicContact SD-CD1 4.33Å; M582-F647 HydrophobicContact SD-CE1 3.31Å; M582-F647 WeakPolarHBondContact SD-CE1 3.5Å; M582-F647 HydrophobicContact SD-CE2 4.43Å; M582-F647 HydrophobicContact SD-CZ 3.38Å; M582-F647 WeakPolarHBondContact SD-CZ 3.45Å; M582-V788 HydrophobicContact CE-CG1 4.12Å |
| 583 | I | 96.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 13.9 Ų | 13.9 | 8% | 0.077 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.2 | -45.6 | 178.1 | -66.8 | 164.4 | 0 | 0 | 0 | 110.3 | V528 M566 S580 G585 F586 C587 C593 L595 | V528-I583 HydrophobicContact CB-CG2 4.01Å; V528-I583 HydrophobicContact CG1-CG2 3.97Å; V528-I583 HydrophobicContact CG2-CG2 4.18Å; M566-I583 HydrophobicContact CE-CD1 4.35Å; M566-I583 HydrophobicContact CE-CG1 3.95Å; M566-I583 HydrophobicContact SD-CG1 4.23Å; S580-I583 PolarHBondContact O-N 2.72Å; S580-I583 PolarHBondContact OG-N 3.14Å; I583-G585 PolarHBondContact O-N 3.28Å; I583-F586 PolarHBondContact O-N 3.4Å; I583-C587 WeakPolarHBondContact O-CB 3.31Å; I583-C587 PolarHBondContact O-N 2.99Å; I583-C587 PolarHBondContact O-SG 3.19Å; I583-C593 HydrophobicContact CG2-CB 3.96Å; I583-L595 HydrophobicContact CD1-CD1 3.78Å; I583-L595 HydrophobicContact CD1-CD2 3.74Å; I583-L595 HydrophobicContact CD1-CG 4.23Å |
| 584 | A | 94.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L14 L500 W579 S580 C587 S588 | L14-A584 HydrophobicContact CD1-CB 4.13Å; L14-A584 HydrophobicContact CD2-CB 4.2Å; L500-A584 HydrophobicContact CD2-CB 3.91Å; W579-A584 HydrophobicContact CH2-CB 3.72Å; W579-A584 HydrophobicContact CZ2-CB 4.01Å; W579-A584 HydrophobicContact CZ3-CB 4.08Å; S580-A584 VanDerWaalsContact O-CB 3.31Å; S580-A584 WeakPolarHBondContact O-CB 3.18Å; S580-A584 PolarHBondContact O-N 2.92Å; A584-C587 PolarHBondContact O-N 2.94Å; A584-S588 VanDerWaalsContact O-CB 3.28Å; A584-S588 WeakPolarHBondContact O-CB 3.43Å; A584-S588 PolarHBondContact O-N 2.87Å; A584-S588 PolarHBondContact O-OG 2.76Å |
| 585 | G | 94.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P581 M582 I583 S588 I589 | P581-G585 PolarHBondContact O-N 2.92Å; M582-G585 PolarHBondContact O-N 3.11Å; I583-G585 PolarHBondContact O-N 3.28Å; G585-S588 PolarHBondContact O-N 2.82Å; G585-I589 WeakPolarHBondContact O-CG1 3.35Å; G585-I589 PolarHBondContact O-N 3.32Å |
| 586 | F | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.1 | -69.6 | -31.1 | 0 | 0 | 0 | 112.5 | I564 M566 M582 I583 I589 G590 F591 F647 F789 C792 V793 F796 | I564-F586 HydrophobicContact CD1-CB 3.65Å; I564-F586 HydrophobicContact CD1-CD1 3.8Å; I564-F586 HydrophobicContact CD1-CD2 3.47Å; I564-F586 VanDerWaalsContact CD1-CD2 3.47Å; I564-F586 HydrophobicContact CD1-CE1 4.29Å; I564-F586 HydrophobicContact CD1-CE2 3.99Å; I564-F586 HydrophobicContact CD1-CG 3.37Å; I564-F586 HydrophobicContact CD1-CZ 4.37Å; M566-F586 HydrophobicContact SD-CD2 4.45Å; M582-F586 HydrophobicContact CG-CD2 3.95Å; M582-F586 HydrophobicContact CG-CE2 3.39Å; M582-F586 HydrophobicContact CG-CZ 3.76Å; M582-F586 WeakPolarHBondContact O-CD2 3.13Å; M582-F586 VanDerWaalsContact O-CG 3.29Å; M582-F586 WeakPolarHBondContact O-CG 3.49Å; M582-F586 PolarHBondContact O-N 3.25Å; M582-F586 HydrophobicContact SD-CE2 4.02Å; M582-F586 HydrophobicContact SD-CZ 4.24Å; I583-F586 PolarHBondContact O-N 3.4Å; F586-I589 WeakPolarHBondContact O-CG1 3.39Å; F586-I589 PolarHBondContact O-N 2.74Å; F586-G590 PolarHBondContact O-N 3.27Å; F586-F591 HydrophobicContact CB-CB 4.33Å; F586-F591 WeakPolarHBondContact O-CB 3.15Å; F586-F591 PolarHBondContact O-N 3.41Å; F586-F647 HydrophobicContact CE2-CD1 4.49Å; F586-F789 HydrophobicContact CD1-CD2 4.31Å; F586-F789 AromaticContact CD1-CE2 3.84Å; F586-F789 HydrophobicContact CD1-CE2 3.84Å; F586-F789 AromaticContact CE1-CD2 4Å; F586-F789 HydrophobicContact CE1-CD2 4Å; F586-F789 AromaticContact CE1-CE2 3.99Å; F586-F789 HydrophobicContact CE1-CE2 3.99Å; F586-C792 HydrophobicContact CE1-CB 4.35Å; F586-C792 HydrophobicContact CZ-CB 4.3Å; F586-V793 HydrophobicContact CD1-CG2 3.89Å; F586-V793 HydrophobicContact CE1-CG2 3.76Å; F586-F796 HydrophobicContact CE1-CE2 4.26Å; F586-F796 HydrophobicContact CZ-CE2 4.22Å |
| 587 | C | 94.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | I503 I541 I583 A584 I589 G590 F591 | I503-C587 HydrophobicContact CD1-CB 3.66Å; I503-C587 HydrophobicContact CG1-CB 4.18Å; I503-C587 HydrophobicContact CG2-CB 4.34Å; I541-C587 WeakPolarHBondContact CD1-O 3.36Å; I583-C587 WeakPolarHBondContact O-CB 3.31Å; I583-C587 PolarHBondContact O-N 2.99Å; I583-C587 PolarHBondContact O-SG 3.19Å; A584-C587 PolarHBondContact O-N 2.94Å; C587-I589 PolarHBondContact O-N 2.73Å; C587-G590 PolarHBondContact O-N 3.44Å; C587-F591 VanDerWaalsContact CA-O 3.3Å; C587-F591 WeakPolarHBondContact CA-O 3.38Å |
| 588 | S | 91.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 1% | 0.007 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.5 | -27.5 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 113.8 | A584 G585 | A584-S588 VanDerWaalsContact O-CB 3.28Å; A584-S588 WeakPolarHBondContact O-CB 3.43Å; A584-S588 PolarHBondContact O-N 2.87Å; A584-S588 PolarHBondContact O-OG 2.76Å; G585-S588 PolarHBondContact O-N 2.82Å |
| 589 | I | 92.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 8.9 | 176.8 | 64.4 | 168.9 | 0 | 0 | 0 | 113.1 | L2 L7 L10 A557 R561 G585 F586 C587 F591 V793 | L2-I589 HydrophobicContact CD1-CB 4.42Å; L2-I589 HydrophobicContact CD1-CG2 4.43Å; L7-I589 HydrophobicContact CD2-CG2 4.01Å; L10-I589 HydrophobicContact CD2-CG2 3.7Å; A557-I589 WeakPolarHBondContact CB-O 3.41Å; R561-I589 VanDerWaalsContact CD-O 3.28Å; R561-I589 WeakPolarHBondContact CD-O 3.3Å; R561-I589 PolarHBondContact NE-O 2.91Å; G585-I589 WeakPolarHBondContact O-CG1 3.35Å; G585-I589 PolarHBondContact O-N 3.32Å; F586-I589 WeakPolarHBondContact O-CG1 3.39Å; F586-I589 PolarHBondContact O-N 2.74Å; C587-I589 PolarHBondContact O-N 2.73Å; I589-F591 HydrophobicContact CD1-CD2 3.82Å; I589-F591 HydrophobicContact CD1-CE2 3.93Å; I589-F591 HydrophobicContact CG1-CD2 3.86Å; I589-F591 HydrophobicContact CG1-CE2 4.32Å; I589-V793 HydrophobicContact CD1-CB 3.97Å; I589-V793 HydrophobicContact CD1-CG1 3.36Å; I589-V793 HydrophobicContact CD1-CG2 3.34Å |
| 590 | G | 92.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 26.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L560 R561 F586 C587 | L560-G590 CarbonylContact C-O 3.57Å; L560-G590 WeakPolarHBondContact CA-O 3.4Å; L560-G590 WeakPolarHBondContact CD1-O 3.45Å; R561-G590 PolarHBondContact N-O 2.88Å; F586-G590 PolarHBondContact O-N 3.27Å; C587-G590 PolarHBondContact O-N 3.44Å |
| 591 | F | 95.3 | Very high | 96 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 148.4 | 167.9 | -73.7 | -85.2 | 0 | 0 | 0 | 111.5 | P530 R561 I564 F586 C587 I589 F796 L797 L800 | P530-F591 WeakPolarHBondContact CD-O 3.42Å; R561-F591 HydrophobicContact CB-CD1 4.27Å; R561-F591 HydrophobicContact CB-CE1 3.91Å; R561-F591 HydrophobicContact CB-CE2 4.18Å; R561-F591 HydrophobicContact CB-CZ 3.86Å; I564-F591 HydrophobicContact CD1-CB 3.67Å; I564-F591 HydrophobicContact CD1-CD1 4.04Å; I564-F591 HydrophobicContact CD1-CD2 4.26Å; I564-F591 HydrophobicContact CD1-CG 3.73Å; I564-F591 HydrophobicContact CG1-CB 3.89Å; I564-F591 HydrophobicContact CG1-CD1 3.72Å; I564-F591 HydrophobicContact CG1-CG 3.91Å; F586-F591 HydrophobicContact CB-CB 4.33Å; F586-F591 WeakPolarHBondContact O-CB 3.15Å; F586-F591 PolarHBondContact O-N 3.41Å; C587-F591 VanDerWaalsContact CA-O 3.3Å; C587-F591 WeakPolarHBondContact CA-O 3.38Å; I589-F591 HydrophobicContact CD1-CD2 3.82Å; I589-F591 HydrophobicContact CD1-CE2 3.93Å; I589-F591 HydrophobicContact CG1-CD2 3.86Å; I589-F591 HydrophobicContact CG1-CE2 4.32Å; F591-F796 HydrophobicContact CE1-CB 4.35Å; F591-F796 HydrophobicContact CZ-CB 3.9Å; F591-L797 HydrophobicContact CE2-CD2 4.14Å; F591-L797 HydrophobicContact CZ-CD2 4.04Å; F591-L800 HydrophobicContact CE1-CD1 3.52Å; F591-L800 HydrophobicContact CZ-CD1 3.86Å |
| 592 | A | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 146.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L527 V528 H529 L560 G562 L563 I564 L635 | L527-A592 HydrophobicContact CD1-CB 4.48Å; V528-A592 CarbonylContact O-C 3.58Å; V528-A592 WeakPolarHBondContact O-CA 3.37Å; H529-A592 HydrophobicContact CB-CB 3.74Å; L560-A592 HydrophobicContact CD1-CB 4.17Å; L560-A592 HydrophobicContact CD2-CB 4.24Å; G562-A592 PolarHBondContact O-N 3.5Å; L563-A592 CarbonylContact C-O 3.51Å; L563-A592 HydrophobicContact CD1-CB 3.71Å; I564-A592 PolarHBondContact N-O 3.1Å; A592-L635 HydrophobicContact CB-CD1 3.68Å |
| 593 | C | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.018 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.2 | 176.6 | -67.8 | 0 | 0 | 0 | 0 | 109.7 | V528 I564 M566 I583 L595 | V528-C593 HydrophobicContact CB-CB 4.47Å; V528-C593 PolarHBondContact N-O 2.82Å; V528-C593 PolarHBondContact O-N 2.74Å; I564-C593 WeakPolarHBondContact O-CA 3.34Å; M566-C593 HydrophobicContact SD-CB 4.08Å; I583-C593 HydrophobicContact CG2-CB 3.96Å; C593-L595 HydrophobicContact CB-CD1 4.33Å |
| 594 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.8 | 176.1 | 175.6 | 68 | 0 | 0 | 0 | 109.4 | C525 L526 L527 L563 I564 V565 M566 I596 A627 A631 | C525-L594 HydrophobicContact CB-CD1 3.72Å; L526-L594 WeakPolarHBondContact O-CA 3.28Å; L527-L594 HydrophobicContact CD1-CB 4.38Å; L527-L594 HydrophobicContact CD1-CD1 4.41Å; L563-L594 HydrophobicContact CD1-CB 3.95Å; L563-L594 HydrophobicContact CD2-CD2 4.43Å; L563-L594 HydrophobicContact CG-CB 4.43Å; I564-L594 PolarHBondContact O-N 2.9Å; V565-L594 HydrophobicContact CG1-CD2 4.36Å; V565-L594 HydrophobicContact CG2-CD2 4.24Å; M566-L594 WeakPolarHBondContact CA-O 3.45Å; M566-L594 WeakPolarHBondContact CB-O 3.28Å; M566-L594 PolarHBondContact N-O 3.37Å; L594-I596 HydrophobicContact CD2-CD1 4.16Å; L594-I596 HydrophobicContact CD2-CG1 4.22Å; L594-I596 HydrophobicContact CG-CD1 4.3Å; L594-I596 HydrophobicContact CG-CG1 3.95Å; L594-A627 HydrophobicContact CD2-CB 4Å; L594-A627 WeakPolarHBondContact CD2-O 3.18Å; L594-A631 HydrophobicContact CD1-CB 4Å; L594-A631 HydrophobicContact CD2-CB 3.85Å; L594-A631 HydrophobicContact CG-CB 4.37Å |
| 595 | L | 98.7 | Very high | 96.2 | Very high | 12 Ų | 12 | 4.3 Ų | 4.3 | 6% | 0.063 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 139.6 | 172.9 | -65.2 | 82.6 | 0 | 0 | 0 | 108.6 | F399 C525 L526 V528 I583 C593 | F399-L595 HydrophobicContact CE1-CB 4.08Å; C525-L595 CarbonylContact C-O 3.58Å; C525-L595 VanDerWaalsContact CA-O 3.25Å; C525-L595 WeakPolarHBondContact CA-O 3.39Å; C525-L595 WeakPolarHBondContact CB-O 3.39Å; L526-L595 HydrophobicContact CB-CB 4.24Å; L526-L595 HydrophobicContact CD2-CD1 4.33Å; L526-L595 HydrophobicContact CD2-CD2 4.43Å; L526-L595 PolarHBondContact N-O 2.88Å; L526-L595 PolarHBondContact O-N 3.39Å; V528-L595 HydrophobicContact CG2-CD1 4.45Å; I583-L595 HydrophobicContact CD1-CD1 3.78Å; I583-L595 HydrophobicContact CD1-CD2 3.74Å; I583-L595 HydrophobicContact CD1-CG 4.23Å; C593-L595 HydrophobicContact CB-CD1 4.33Å |
| 596 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.5 | -169.4 | -56.7 | 153.7 | 0 | 0 | 0 | 108.5 | F523 C525 V565 H568 L594 Y598 C624 A627 | F523-I596 HydrophobicContact CD2-CG2 4.32Å; F523-I596 HydrophobicContact CE2-CG2 4.06Å; C525-I596 HydrophobicContact CB-CG1 4.48Å; V565-I596 HydrophobicContact CG1-CD1 3.69Å; H568-I596 PolarHBondContact CD2-O 3.47Å; L594-I596 HydrophobicContact CD2-CD1 4.16Å; L594-I596 HydrophobicContact CD2-CG1 4.22Å; L594-I596 HydrophobicContact CG-CD1 4.3Å; L594-I596 HydrophobicContact CG-CG1 3.95Å; I596-Y598 HydrophobicContact CG2-CD1 4.23Å; I596-Y598 PolarHBondContact O-N 3.22Å; I596-C624 HydrophobicContact CD1-CB 4.07Å; I596-A627 HydrophobicContact CD1-CB 4.04Å; I596-A627 HydrophobicContact CG1-CB 3.8Å; I596-A627 HydrophobicContact CG2-CB 4.25Å |
| 597 | N | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 80.6 | 166.1 | -75.9 | -14 | 0 | 0 | 0 | 107.6 | F399 E524 S575 S601 Y604 | F399-N597 HydrophobicContact CE2-CB 3.98Å; F399-N597 WeakPolarHBondContact CE2-ND2 3.47Å; F399-N597 HydrophobicContact CZ-CB 3.99Å; F399-N597 WeakPolarHBondContact CZ-ND2 3.26Å; E524-N597 PolarHBondContact O-N 2.82Å; S575-N597 WeakPolarHBondContact CB-OD1 3.28Å; S575-N597 PolarHBondContact N-OD1 3.5Å; S575-N597 PolarHBondContact O-ND2 2.84Å; S575-N597 VanDerWaalsContact O-ND2 3.08Å; S575-N597 PolarHBondContact O-OD1 3.41Å; N597-S601 VanDerWaalsContact CA-OG 3.26Å; N597-S601 WeakPolarHBondContact CA-OG 3.28Å; N597-Y604 HydrophobicContact CB-CE2 3.69Å; N597-Y604 WeakPolarHBondContact CB-OH 3.41Å; N597-Y604 PolarHBondContact ND2-OH 2.98Å |
| 598 | Y | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -69.6 | 164.5 | 178.6 | 48 | -102.5 | 0 | 0 | 0 | 111.2 | P567 H568 P571 I596 G600 S601 F608 L612 D620 L655 | P567-Y598 HydrophobicContact CB-CE1 4.23Å; H568-Y598 AromaticContact CE1-CE1 3.98Å; H568-Y598 AromaticContact CE1-CZ 3.48Å; H568-Y598 VanDerWaalsContact CE1-CZ 3.48Å; H568-Y598 PolarHBondContact CE1-OH 2.71Å; H568-Y598 VanDerWaalsContact CE1-OH 3.24Å; H568-Y598 AromaticContact ND1-CZ 3.88Å; H568-Y598 PolarHBondContact ND1-OH 3.33Å; H568-Y598 AromaticContact NE2-CE1 3.82Å; H568-Y598 AromaticContact NE2-CZ 3.76Å; H568-Y598 PolarHBondContact O-OH 3.22Å; P571-Y598 HydrophobicContact CB-CE2 4.24Å; I596-Y598 HydrophobicContact CG2-CD1 4.23Å; I596-Y598 PolarHBondContact O-N 3.22Å; Y598-G600 PolarHBondContact O-N 2.58Å; Y598-S601 PolarHBondContact N-OG 3.04Å; Y598-S601 VanDerWaalsContact N-OG 3.14Å; Y598-S601 VanDerWaalsContact O-CB 3.31Å; Y598-S601 WeakPolarHBondContact O-CB 3.36Å; Y598-S601 PolarHBondContact O-N 2.89Å; Y598-S601 PolarHBondContact O-OG 3.32Å; Y598-F608 VanDerWaalsContact O-CE1 3.22Å; Y598-F608 WeakPolarHBondContact O-CE1 3.22Å; Y598-L612 HydrophobicContact CD2-CD2 4.47Å; Y598-L612 HydrophobicContact CE2-CD2 4.26Å; Y598-D620 HydrophobicContact CD2-CB 3.76Å; Y598-D620 HydrophobicContact CE2-CB 4.22Å; Y598-D620 HydrophobicContact CG-CB 4.08Å; Y598-L655 HydrophobicContact CD1-CD1 3.98Å; Y598-L655 HydrophobicContact CE1-CD1 3.45Å; Y598-L655 VanDerWaalsContact CE1-CD1 3.45Å | ||
| 599 | R | 96.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 6.3 Ų | 6.3 | 6% | 0.064 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 127.4 | 173 | -74.3 | 171.5 | -74.6 | 173.1 | -1 | 110.6 | I520 F608 D611 L612 K619 D623 | I520-R599 HydrophobicContact CG2-CG 4.18Å; R599-F608 HydrophobicContact CB-CZ 4.42Å; R599-F608 HydrophobicContact CG-CE2 3.91Å; R599-F608 HydrophobicContact CG-CZ 4.09Å; R599-D611 VanDerWaalsContact CD-OD2 3.3Å; R599-D611 WeakPolarHBondContact CD-OD2 3.43Å; R599-L612 WeakPolarHBondContact O-CB 3.13Å; R599-L612 WeakPolarHBondContact O-CD2 3.17Å; R599-K619 PolarHBondContact NH2-O 2.77Å; R599-D623 WeakPolarHBondContact CB-OD2 3.2Å; R599-D623 WeakPolarHBondContact CG-OD2 3.5Å; R599-D623 IonicContact CZ-OD1 2.86Å; R599-D623 VanDerWaalsContact CZ-OD1 3.28Å; R599-D623 IonicContact CZ-OD2 3.72Å; R599-D623 PolarHBondContact N-OD2 3.18Å; R599-D623 IonicContact NE-OD1 2.73Å; R599-D623 PolarHBondContact NE-OD1 3.1Å; R599-D623 VanDerWaalsContact NE-OD1 3.11Å; R599-D623 IonicContact NE-OD2 3.96Å; R599-D623 PolarHBondContact NE-OD2 2.69Å; R599-D623 IonicContact NH2-OD1 3.71Å; R599-D623 PolarHBondContact NH2-OD1 2.91Å; R599-D623 IonicContact NH2-OD2 2.82Å |
| 600 | G | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.2 | -21.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114 | P571 H572 Y598 F608 | P571-G600 CarbonylContact O-C 3.54Å; H572-G600 WeakPolarHBondContact CA-O 3.39Å; H572-G600 PolarHBondContact ND1-O 3.35Å; Y598-G600 PolarHBondContact O-N 2.58Å; G600-F608 WeakPolarHBondContact CA-O 3.44Å; G600-F608 PolarHBondContact N-O 2.95Å |
| 601 | S | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | trans | -68.8 | 154.8 | -178.8 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | H568 S573 N597 Y598 F608 | H568-S601 PolarHBondContact NE2-OG 3.03Å; S573-S601 CarbonylContact O-C 3.53Å; S573-S601 VanDerWaalsContact O-CA 3.22Å; S573-S601 WeakPolarHBondContact O-CA 3.4Å; S573-S601 WeakPolarHBondContact O-CB 3.25Å; N597-S601 VanDerWaalsContact CA-OG 3.26Å; N597-S601 WeakPolarHBondContact CA-OG 3.28Å; Y598-S601 PolarHBondContact N-OG 3.04Å; Y598-S601 VanDerWaalsContact N-OG 3.14Å; Y598-S601 VanDerWaalsContact O-CB 3.31Å; Y598-S601 WeakPolarHBondContact O-CB 3.36Å; Y598-S601 PolarHBondContact O-N 2.89Å; Y598-S601 PolarHBondContact O-OG 3.32Å; S601-F608 WeakPolarHBondContact O-CD1 3.4Å | ||
| 602 | L | 97 | Very high | 96.5 | Very high | 24 Ų | 24 | 10.1 Ų | 10.1 | 13% | 0.126 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -77.3 | 159.7 | 178.3 | -54.3 | -175.4 | 0 | 0 | 0 | 112.3 | Y376 H572 S573 H574 Y604 V609 | Y376-L602 HydrophobicContact CD1-CB 3.75Å; Y376-L602 HydrophobicContact CD1-CD1 4.32Å; Y376-L602 HydrophobicContact CD1-CD2 3.81Å; Y376-L602 HydrophobicContact CD1-CG 4.16Å; Y376-L602 HydrophobicContact CE1-CB 4.15Å; Y376-L602 HydrophobicContact CE1-CD2 3.87Å; Y376-L602 HydrophobicContact CG-CB 4.18Å; H572-L602 HydrophobicContact CB-CD2 4.14Å; H572-L602 WeakPolarHBondContact O-CD1 2.94Å; H572-L602 WeakPolarHBondContact O-CD2 3.49Å; H572-L602 WeakPolarHBondContact O-CG 3.17Å; S573-L602 PolarHBondContact O-N 2.83Å; H574-L602 HydrophobicContact CB-CB 4.33Å; L602-Y604 WeakPolarHBondContact O-CD2 3.27Å; L602-Y604 WeakPolarHBondContact O-CE2 3.38Å; L602-V609 HydrophobicContact CD2-CG2 3.99Å |
| 603 | G | 96.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 11 Ų | 11 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | S | Bend | trans | 89.1 | 11.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P373 G398 | P373-G603 VanDerWaalsContact CB-O 3.23Å; P373-G603 WeakPolarHBondContact CB-O 3.38Å; P373-G603 WeakPolarHBondContact CG-O 3.3Å; G398-G603 PolarHBondContact N-O 3.07Å; G398-G603 VanDerWaalsContact N-O 3.11Å |
| 604 | Y | 94.9 | Very high | 96.3 | Very high | 35 Ų | 35 | 11.2 Ų | 11.2 | 14% | 0.137 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -124.9 | 5.6 | -175.9 | -64.1 | -83.6 | 0 | 0 | 0 | 114.7 | P361 G398 E524 N597 L602 F608 | P361-Y604 WeakPolarHBondContact CG-O 3.36Å; G398-Y604 VanDerWaalsContact CA-OH 3.24Å; G398-Y604 WeakPolarHBondContact CA-OH 3.42Å; E524-Y604 HydrophobicContact CB-CE1 4.37Å; E524-Y604 HydrophobicContact CG-CE1 3.98Å; E524-Y604 VanDerWaalsContact OE2-CE1 3.25Å; E524-Y604 WeakPolarHBondContact OE2-CE1 3.46Å; E524-Y604 PolarHBondContact OE2-OH 3.36Å; N597-Y604 HydrophobicContact CB-CE2 3.69Å; N597-Y604 WeakPolarHBondContact CB-OH 3.41Å; N597-Y604 PolarHBondContact ND2-OH 2.98Å; L602-Y604 WeakPolarHBondContact O-CD2 3.27Å; L602-Y604 WeakPolarHBondContact O-CE2 3.38Å; Y604-F608 VanDerWaalsContact CB-CG 3.48Å; Y604-F608 AromaticContact CD2-CD1 3.94Å; Y604-F608 HydrophobicContact CD2-CD1 3.94Å; Y604-F608 AromaticContact CD2-CE1 3.75Å; Y604-F608 HydrophobicContact CD2-CE1 3.75Å; Y604-F608 HydrophobicContact CD2-CZ 4.37Å; Y604-F608 HydrophobicContact CE2-CE1 4.45Å; Y604-F608 AromaticContact CG-CD1 3.95Å; Y604-F608 HydrophobicContact CG-CD1 3.95Å; Y604-F608 AromaticContact CG-CE1 3.97Å; Y604-F608 HydrophobicContact CG-CE1 3.97Å; Y604-F608 HydrophobicContact CG-CG 4.23Å; Y604-F608 HydrophobicContact CG-CZ 4.31Å |
| 605 | G | 94.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | 99.8 | 146.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N359 P373 Y376 A607 F608 V609 | N359-G605 CarbonylContact O-C 3.58Å; P373-G605 VanDerWaalsContact O-CA 3.24Å; P373-G605 WeakPolarHBondContact O-CA 3.35Å; P373-G605 PolarHBondContact O-N 3.33Å; Y376-G605 VanDerWaalsContact OH-CA 3.25Å; Y376-G605 WeakPolarHBondContact OH-CA 3.38Å; Y376-G605 PolarHBondContact OH-N 2.98Å; Y376-G605 VanDerWaalsContact OH-N 3.14Å; Y376-G605 PolarHBondContact OH-O 3.2Å; G605-A607 PolarHBondContact O-N 2.9Å; G605-F608 VanDerWaalsContact O-CB 3.32Å; G605-F608 WeakPolarHBondContact O-CB 3.17Å; G605-F608 PolarHBondContact O-N 2.73Å; G605-V609 PolarHBondContact O-N 3.09Å | ||
| 606 | N | 94.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.9 | -34 | -175.5 | -152 | 50.3 | 0 | 0 | 0 | 112.3 | Q335 C336 V357 I358 N359 Y376 F608 V609 Q610 | Q335-N606 WeakPolarHBondContact CB-OD1 3.4Å; C336-N606 HydrophobicContact CB-CB 3.98Å; C336-N606 PolarHBondContact N-OD1 3.27Å; V357-N606 HydrophobicContact CG1-CB 3.78Å; I358-N606 WeakPolarHBondContact O-CB 3.3Å; I358-N606 PolarHBondContact O-N 2.9Å; N359-N606 PolarHBondContact O-N 3.31Å; Y376-N606 PolarHBondContact OH-N 2.85Å; N606-F608 PolarHBondContact O-N 2.89Å; N606-V609 WeakPolarHBondContact O-CB 3.47Å; N606-V609 PolarHBondContact O-N 2.9Å; N606-V609 VanDerWaalsContact O-N 3.11Å; N606-Q610 PolarHBondContact ND2-NE2 2.73Å; N606-Q610 VanDerWaalsContact ND2-NE2 3.16Å; N606-Q610 VanDerWaalsContact O-CG 3.27Å; N606-Q610 WeakPolarHBondContact O-CG 3.41Å; N606-Q610 PolarHBondContact O-N 3.09Å |
| 607 | A | 93.6 | Very high | 96.2 | Very high | 29 Ų | 29 | 16 Ų | 16 | 24% | 0.24 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -33.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N359 G605 Q610 D611 | N359-A607 HydrophobicContact CB-CB 4.34Å; N359-A607 WeakPolarHBondContact O-CB 2.94Å; N359-A607 PolarHBondContact O-N 2.88Å; G605-A607 PolarHBondContact O-N 2.9Å; A607-Q610 PolarHBondContact O-N 2.86Å; A607-D611 WeakPolarHBondContact O-CB 3.24Å; A607-D611 PolarHBondContact O-N 2.86Å |
| 608 | F | 94.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 21 Ų | 21 | 4% | 0.044 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.3 | -36.6 | 176.2 | -169.1 | -90.3 | 0 | 0 | 0 | 112.4 | I520 F523 Y598 R599 G600 S601 Y604 G605 N606 | I520-F608 HydrophobicContact CD1-CB 4.29Å; I520-F608 HydrophobicContact CD1-CD2 4.12Å; I520-F608 HydrophobicContact CG1-CD2 4.19Å; I520-F608 HydrophobicContact CG2-CD2 3.69Å; I520-F608 HydrophobicContact CG2-CE2 3.81Å; F523-F608 HydrophobicContact CB-CE2 4.28Å; F523-F608 HydrophobicContact CB-CZ 3.97Å; Y598-F608 VanDerWaalsContact O-CE1 3.22Å; Y598-F608 WeakPolarHBondContact O-CE1 3.22Å; R599-F608 HydrophobicContact CB-CZ 4.42Å; R599-F608 HydrophobicContact CG-CE2 3.91Å; R599-F608 HydrophobicContact CG-CZ 4.09Å; G600-F608 WeakPolarHBondContact CA-O 3.44Å; G600-F608 PolarHBondContact N-O 2.95Å; S601-F608 WeakPolarHBondContact O-CD1 3.4Å; Y604-F608 VanDerWaalsContact CB-CG 3.48Å; Y604-F608 AromaticContact CD2-CD1 3.94Å; Y604-F608 HydrophobicContact CD2-CD1 3.94Å; Y604-F608 AromaticContact CD2-CE1 3.75Å; Y604-F608 HydrophobicContact CD2-CE1 3.75Å; Y604-F608 HydrophobicContact CD2-CZ 4.37Å; Y604-F608 HydrophobicContact CE2-CE1 4.45Å; Y604-F608 AromaticContact CG-CD1 3.95Å; Y604-F608 HydrophobicContact CG-CD1 3.95Å; Y604-F608 AromaticContact CG-CE1 3.97Å; Y604-F608 HydrophobicContact CG-CE1 3.97Å; Y604-F608 HydrophobicContact CG-CG 4.23Å; Y604-F608 HydrophobicContact CG-CZ 4.31Å; G605-F608 VanDerWaalsContact O-CB 3.32Å; G605-F608 WeakPolarHBondContact O-CB 3.17Å; G605-F608 PolarHBondContact O-N 2.73Å; N606-F608 PolarHBondContact O-N 2.89Å |
| 609 | V | 95.5 | Very high | 96 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.3 | -49.3 | 172.7 | 180 | 0 | 0 | 0 | 0 | 110.2 | P332 G334 Q335 Y376 H572 L602 G605 N606 D611 | P332-V609 HydrophobicContact CB-CG1 3.74Å; P332-V609 HydrophobicContact CG-CG1 3.99Å; G334-V609 VanDerWaalsContact O-CG1 3.28Å; G334-V609 WeakPolarHBondContact O-CG1 3.39Å; Q335-V609 HydrophobicContact CB-CG1 4.38Å; Y376-V609 HydrophobicContact CE1-CG2 4.09Å; H572-V609 HydrophobicContact CB-CG1 4.28Å; H572-V609 PolarHBondContact CE1-O 2.83Å; H572-V609 VanDerWaalsContact ND1-CG1 3.34Å; H572-V609 WeakPolarHBondContact ND1-CG1 3.23Å; L602-V609 HydrophobicContact CD2-CG2 3.99Å; G605-V609 PolarHBondContact O-N 3.09Å; N606-V609 WeakPolarHBondContact O-CB 3.47Å; N606-V609 PolarHBondContact O-N 2.9Å; N606-V609 VanDerWaalsContact O-N 3.11Å; V609-D611 VanDerWaalsContact C-N 3.28Å; V609-D611 PolarHBondContact O-N 2.81Å |
| 610 | Q | 94.5 | Very high | 96 | Very high | 69 Ų | 69 | 21.3 Ų | 21.3 | 32% | 0.322 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -67.5 | -26 | -177.5 | -63.2 | -174 | -15.5 | 0 | 0 | 113.3 | N606 A607 L612 I613 W701 | N606-Q610 PolarHBondContact ND2-NE2 2.73Å; N606-Q610 VanDerWaalsContact ND2-NE2 3.16Å; N606-Q610 VanDerWaalsContact O-CG 3.27Å; N606-Q610 WeakPolarHBondContact O-CG 3.41Å; N606-Q610 PolarHBondContact O-N 3.09Å; A607-Q610 PolarHBondContact O-N 2.86Å; Q610-L612 PolarHBondContact O-N 2.82Å; Q610-L612 VanDerWaalsContact O-N 3.14Å; Q610-I613 WeakPolarHBondContact O-CB 3.25Å; Q610-I613 PolarHBondContact O-N 3.4Å; Q610-W701 HydrophobicContact CB-CH2 3.72Å; Q610-W701 HydrophobicContact CB-CZ2 4.47Å; Q610-W701 HydrophobicContact CB-CZ3 4.46Å; Q610-W701 HydrophobicContact CG-CH2 3.41Å; Q610-W701 VanDerWaalsContact CG-CH2 3.41Å; Q610-W701 HydrophobicContact CG-CZ2 4.47Å; Q610-W701 HydrophobicContact CG-CZ3 3.65Å |
| 611 | D | 94.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23 | -177.1 | -167.1 | 61.5 | 0 | 0 | 0 | 113.5 | N518 I520 R599 A607 V609 K619 | N518-D611 PolarHBondContact ND2-OD1 2.84Å; I520-D611 HydrophobicContact CD1-CB 3.33Å; R599-D611 VanDerWaalsContact CD-OD2 3.3Å; R599-D611 WeakPolarHBondContact CD-OD2 3.43Å; A607-D611 WeakPolarHBondContact O-CB 3.24Å; A607-D611 PolarHBondContact O-N 2.86Å; V609-D611 VanDerWaalsContact C-N 3.28Å; V609-D611 PolarHBondContact O-N 2.81Å; D611-K619 VanDerWaalsContact O-CD 3.28Å; D611-K619 WeakPolarHBondContact O-CD 3.27Å; D611-K619 WeakPolarHBondContact O-CE 3.39Å; D611-K619 PolarHBondContact O-NZ 2.86Å; D611-K619 IonicContact OD1-NZ 3.41Å; D611-K619 PolarHBondContact OD1-NZ 3.09Å; D611-K619 IonicContact OD2-NZ 3.61Å; D611-K619 PolarHBondContact OD2-NZ 3.11Å |
| 612 | L | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -25.5 | 176.4 | -174.8 | 60.4 | 0 | 0 | 0 | 113.5 | P571 Y598 R599 Q610 G614 Y615 I616 K619 D620 | P571-L612 HydrophobicContact CB-CD2 3.39Å; P571-L612 HydrophobicContact CG-CD2 4.29Å; Y598-L612 HydrophobicContact CD2-CD2 4.47Å; Y598-L612 HydrophobicContact CE2-CD2 4.26Å; R599-L612 WeakPolarHBondContact O-CB 3.13Å; R599-L612 WeakPolarHBondContact O-CD2 3.17Å; Q610-L612 PolarHBondContact O-N 2.82Å; Q610-L612 VanDerWaalsContact O-N 3.14Å; L612-G614 PolarHBondContact O-N 3.37Å; L612-Y615 CarbonylContact O-C 3.56Å; L612-Y615 WeakPolarHBondContact O-CA 3.48Å; L612-Y615 PolarHBondContact O-N 3.31Å; L612-I616 HydrophobicContact CD1-CG2 4.19Å; L612-I616 HydrophobicContact CD2-CG2 4.11Å; L612-I616 HydrophobicContact CG-CG2 3.91Å; L612-I616 PolarHBondContact O-N 2.78Å; L612-K619 HydrophobicContact CD1-CB 4.06Å; L612-D620 HydrophobicContact CD1-CB 3.77Å; L612-D620 HydrophobicContact CD2-CB 4.44Å |
| 613 | I | 95.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 10% | 0.097 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 125.4 | -174 | -65.9 | -56.4 | 0 | 0 | 0 | 110.7 | P332 H572 Q610 Y615 T694 W701 | P332-I613 HydrophobicContact CB-CD1 4.47Å; P332-I613 HydrophobicContact CG-CD1 3.94Å; P332-I613 HydrophobicContact CG-CG1 3.89Å; H572-I613 WeakPolarHBondContact NE2-CD1 3.38Å; Q610-I613 WeakPolarHBondContact O-CB 3.25Å; Q610-I613 PolarHBondContact O-N 3.4Å; I613-Y615 VanDerWaalsContact C-N 3.29Å; I613-Y615 VanDerWaalsContact O-CD2 3.22Å; I613-Y615 WeakPolarHBondContact O-CD2 3.44Å; I613-Y615 PolarHBondContact O-N 2.81Å; I613-T694 HydrophobicContact CD1-CG2 3.87Å; I613-T694 WeakPolarHBondContact CG2-O 3.33Å; I613-W701 HydrophobicContact CB-CH2 4.22Å; I613-W701 HydrophobicContact CB-CZ2 3.99Å; I613-W701 HydrophobicContact CG1-CH2 3.73Å; I613-W701 HydrophobicContact CG1-CZ2 4.01Å; I613-W701 HydrophobicContact CG2-CH2 4.36Å; I613-W701 HydrophobicContact CG2-CZ2 3.78Å |
| 614 | G | 96.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | -7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L612 E695 R717 Q721 | L612-G614 PolarHBondContact O-N 3.37Å; G614-E695 WeakPolarHBondContact CA-O 3.5Å; G614-E695 PolarHBondContact N-O 2.88Å; G614-R717 PolarHBondContact O-NH2 3.14Å; G614-R717 VanDerWaalsContact O-NH2 3.11Å; G614-Q721 PolarHBondContact O-NE2 3.29Å |
| 615 | Y | 96.6 | Very high | 96.4 | Very high | 112 Ų | 112 | 20.4 Ų | 20.4 | 44% | 0.439 | 10% | 0.102 | S | C | . | . | trans | -127.3 | 18.5 | -173.9 | -57.3 | -78.5 | 0 | 0 | 0 | 113.6 | L612 I613 E618 K619 | L612-Y615 CarbonylContact O-C 3.56Å; L612-Y615 WeakPolarHBondContact O-CA 3.48Å; L612-Y615 PolarHBondContact O-N 3.31Å; I613-Y615 VanDerWaalsContact C-N 3.29Å; I613-Y615 VanDerWaalsContact O-CD2 3.22Å; I613-Y615 WeakPolarHBondContact O-CD2 3.44Å; I613-Y615 PolarHBondContact O-N 2.81Å; Y615-E618 WeakPolarHBondContact O-CB 3.41Å; Y615-E618 PolarHBondContact O-N 3.15Å; Y615-E618 VanDerWaalsContact O-N 3.08Å; Y615-K619 HydrophobicContact CD2-CD 4.28Å; Y615-K619 HydrophobicContact CG-CD 4.11Å; Y615-K619 HydrophobicContact CG-CG 4.42Å; Y615-K619 PolarHBondContact O-N 2.94Å | ||
| 616 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 147.1 | 165.5 | 58.5 | 160.3 | 0 | 0 | 0 | 109.9 | L612 E618 F654 L679 E695 Q721 | L612-I616 HydrophobicContact CD1-CG2 4.19Å; L612-I616 HydrophobicContact CD2-CG2 4.11Å; L612-I616 HydrophobicContact CG-CG2 3.91Å; L612-I616 PolarHBondContact O-N 2.78Å; I616-E618 PolarHBondContact O-N 2.92Å; I616-F654 HydrophobicContact CB-CE1 4.34Å; I616-F654 HydrophobicContact CB-CZ 4.34Å; I616-F654 HydrophobicContact CD1-CZ 4.03Å; I616-F654 HydrophobicContact CG1-CZ 4.42Å; I616-L679 HydrophobicContact CD1-CD1 3.86Å; I616-E695 HydrophobicContact CD1-CB 3.71Å; I616-E695 HydrophobicContact CG1-CB 4.22Å; I616-E695 HydrophobicContact CG2-CB 3.91Å; I616-Q721 HydrophobicContact CD1-CB 4.49Å; I616-Q721 HydrophobicContact CG1-CB 4.39Å; I616-Q721 HydrophobicContact CG1-CG 4.49Å; I616-Q721 PolarHBondContact O-NE2 2.78Å |
| 617 | S | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | -4.9 | -169.3 | 81.1 | 0 | 0 | 0 | 0 | 115.9 | D620 V621 H658 R662 Q721 | S617-D620 WeakPolarHBondContact CA-OD1 3.47Å; S617-D620 PolarHBondContact N-OD1 3.12Å; S617-V621 WeakPolarHBondContact O-CB 3.1Å; S617-V621 WeakPolarHBondContact O-CG2 3.38Å; S617-H658 VanDerWaalsContact CB-CE1 3.43Å; S617-H658 WeakPolarHBondContact CB-CE1 3.34Å; S617-H658 WeakPolarHBondContact CB-NE2 3.24Å; S617-R662 PolarHBondContact O-NH1 3.45Å; S617-Q721 WeakPolarHBondContact CB-O 3.32Å; S617-Q721 WeakPolarHBondContact OG-CA 3Å |
| 618 | E | 96.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 19.4 Ų | 19.4 | 49% | 0.486 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -67.8 | -179.5 | -62.6 | 177.8 | -121 | 0 | 0 | 110.7 | Y615 I616 D620 S622 | Y615-E618 WeakPolarHBondContact O-CB 3.41Å; Y615-E618 PolarHBondContact O-N 3.15Å; Y615-E618 VanDerWaalsContact O-N 3.08Å; I616-E618 PolarHBondContact O-N 2.92Å; E618-D620 PolarHBondContact N-OD1 3.12Å; E618-S622 VanDerWaalsContact O-CB 3.26Å; E618-S622 WeakPolarHBondContact O-CB 3.35Å; E618-S622 PolarHBondContact O-N 3.31Å |
| 619 | K | 96 | Very high | 97.2 | Very high | 23 Ų | 23 | 24 Ų | 24 | 10% | 0.1 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -70.8 | -52.3 | -175 | -73.7 | -176.1 | 180 | -175 | 0 | 111.7 | R599 D611 L612 Y615 V621 S622 D623 | R599-K619 PolarHBondContact NH2-O 2.77Å; D611-K619 VanDerWaalsContact O-CD 3.28Å; D611-K619 WeakPolarHBondContact O-CD 3.27Å; D611-K619 WeakPolarHBondContact O-CE 3.39Å; D611-K619 PolarHBondContact O-NZ 2.86Å; D611-K619 IonicContact OD1-NZ 3.41Å; D611-K619 PolarHBondContact OD1-NZ 3.09Å; D611-K619 IonicContact OD2-NZ 3.61Å; D611-K619 PolarHBondContact OD2-NZ 3.11Å; L612-K619 HydrophobicContact CD1-CB 4.06Å; Y615-K619 HydrophobicContact CD2-CD 4.28Å; Y615-K619 HydrophobicContact CG-CD 4.11Å; Y615-K619 HydrophobicContact CG-CG 4.42Å; Y615-K619 PolarHBondContact O-N 2.94Å; K619-V621 VanDerWaalsContact C-N 3.34Å; K619-V621 PolarHBondContact O-N 2.79Å; K619-S622 PolarHBondContact O-N 2.96Å; K619-D623 PolarHBondContact O-N 2.67Å |
| 620 | D | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 177.2 | 53.6 | -2.1 | 0 | 0 | 0 | 112.7 | Y598 L612 S617 E618 C624 H651 L655 | Y598-D620 HydrophobicContact CD2-CB 3.76Å; Y598-D620 HydrophobicContact CE2-CB 4.22Å; Y598-D620 HydrophobicContact CG-CB 4.08Å; L612-D620 HydrophobicContact CD1-CB 3.77Å; L612-D620 HydrophobicContact CD2-CB 4.44Å; S617-D620 WeakPolarHBondContact CA-OD1 3.47Å; S617-D620 PolarHBondContact N-OD1 3.12Å; E618-D620 PolarHBondContact N-OD1 3.12Å; D620-C624 PolarHBondContact O-N 2.97Å; D620-C624 PolarHBondContact O-SG 3.08Å; D620-H651 IonicContact OD2-CD2 3.79Å; D620-H651 IonicContact OD2-CE1 2.68Å; D620-H651 PolarHBondContact OD2-CE1 3.45Å; D620-H651 IonicContact OD2-NE2 3.8Å; D620-H651 PolarHBondContact OD2-NE2 2.91Å; D620-L655 HydrophobicContact CB-CD1 4.31Å; D620-L655 HydrophobicContact CB-CD2 3.86Å |
| 621 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | S617 K619 D623 C624 V625 L655 H658 L659 Y663 | S617-V621 WeakPolarHBondContact O-CB 3.1Å; S617-V621 WeakPolarHBondContact O-CG2 3.38Å; K619-V621 VanDerWaalsContact C-N 3.34Å; K619-V621 PolarHBondContact O-N 2.79Å; V621-D623 VanDerWaalsContact C-N 3.35Å; V621-D623 PolarHBondContact O-N 3.13Å; V621-C624 PolarHBondContact O-N 3.28Å; V621-V625 WeakPolarHBondContact O-CG2 3.22Å; V621-V625 PolarHBondContact O-N 3.1Å; V621-L655 HydrophobicContact CB-CD2 4.5Å; V621-L655 HydrophobicContact CG2-CD2 3.57Å; V621-H658 HydrophobicContact CG2-CB 3.7Å; V621-L659 HydrophobicContact CG1-CD2 4Å; V621-Y663 HydrophobicContact CG1-CD2 4.47Å; V621-Y663 HydrophobicContact CG1-CE2 3.63Å |
| 622 | S | 97.7 | Very high | 97.4 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 25% | 0.252 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | E618 K619 C624 V625 Q626 | E618-S622 VanDerWaalsContact O-CB 3.26Å; E618-S622 WeakPolarHBondContact O-CB 3.35Å; E618-S622 PolarHBondContact O-N 3.31Å; K619-S622 PolarHBondContact O-N 2.96Å; S622-C624 VanDerWaalsContact C-N 3.34Å; S622-C624 PolarHBondContact O-N 3.16Å; S622-V625 PolarHBondContact O-N 3.07Å; S622-Q626 WeakPolarHBondContact O-CG 3.43Å; S622-Q626 PolarHBondContact O-N 2.91Å; S622-Q626 PolarHBondContact OG-NE2 2.79Å; S622-Q626 VanDerWaalsContact OG-NE2 3.13Å |
| 623 | D | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 178 | -66.4 | -2.4 | 0 | 0 | 0 | 110.6 | L512 F523 R599 K619 V621 V625 Q626 A627 | L512-D623 WeakPolarHBondContact CD2-OD1 3.46Å; F523-D623 HydrophobicContact CD1-CB 4.14Å; F523-D623 HydrophobicContact CD2-CB 4.2Å; F523-D623 HydrophobicContact CE1-CB 3.91Å; F523-D623 HydrophobicContact CE2-CB 3.98Å; F523-D623 HydrophobicContact CG-CB 4.28Å; F523-D623 HydrophobicContact CZ-CB 3.84Å; F523-D623 WeakPolarHBondContact CZ-O 3.3Å; R599-D623 WeakPolarHBondContact CB-OD2 3.2Å; R599-D623 WeakPolarHBondContact CG-OD2 3.5Å; R599-D623 IonicContact CZ-OD1 2.86Å; R599-D623 VanDerWaalsContact CZ-OD1 3.28Å; R599-D623 IonicContact CZ-OD2 3.72Å; R599-D623 PolarHBondContact N-OD2 3.18Å; R599-D623 IonicContact NE-OD1 2.73Å; R599-D623 PolarHBondContact NE-OD1 3.1Å; R599-D623 VanDerWaalsContact NE-OD1 3.11Å; R599-D623 IonicContact NE-OD2 3.96Å; R599-D623 PolarHBondContact NE-OD2 2.69Å; R599-D623 IonicContact NH2-OD1 3.71Å; R599-D623 PolarHBondContact NH2-OD1 2.91Å; R599-D623 IonicContact NH2-OD2 2.82Å; K619-D623 PolarHBondContact O-N 2.67Å; V621-D623 VanDerWaalsContact C-N 3.35Å; V621-D623 PolarHBondContact O-N 3.13Å; D623-V625 PolarHBondContact O-N 2.9Å; D623-Q626 PolarHBondContact O-N 3.03Å; D623-A627 WeakPolarHBondContact O-CB 3.19Å; D623-A627 PolarHBondContact O-N 3.36Å |
| 624 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | I596 D620 V621 S622 T628 L659 Y667 | I596-C624 HydrophobicContact CD1-CB 4.07Å; D620-C624 PolarHBondContact O-N 2.97Å; D620-C624 PolarHBondContact O-SG 3.08Å; V621-C624 PolarHBondContact O-N 3.28Å; S622-C624 VanDerWaalsContact C-N 3.34Å; S622-C624 PolarHBondContact O-N 3.16Å; C624-T628 WeakPolarHBondContact O-CB 3.43Å; C624-T628 PolarHBondContact O-N 3.24Å; C624-T628 PolarHBondContact O-OG1 2.92Å; C624-L659 HydrophobicContact CB-CD1 3.73Å; C624-L659 HydrophobicContact CB-CD2 4.01Å; C624-L659 HydrophobicContact CB-CG 4.45Å; C624-Y667 PolarHBondContact O-OH 3.1Å |
| 625 | V | 98.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | V621 S622 D623 T628 K629 L659 Y663 L666 | V621-V625 WeakPolarHBondContact O-CG2 3.22Å; V621-V625 PolarHBondContact O-N 3.1Å; S622-V625 PolarHBondContact O-N 3.07Å; D623-V625 PolarHBondContact O-N 2.9Å; V625-T628 PolarHBondContact O-N 3.41Å; V625-K629 HydrophobicContact CG1-CD 4.3Å; V625-K629 WeakPolarHBondContact O-CG 3Å; V625-K629 PolarHBondContact O-N 3.02Å; V625-L659 HydrophobicContact CG2-CD2 3.57Å; V625-Y663 HydrophobicContact CG1-CD1 4.32Å; V625-Y663 HydrophobicContact CG1-CE1 4.17Å; V625-Y663 HydrophobicContact CG2-CD1 3.94Å; V625-Y663 HydrophobicContact CG2-CD2 3.74Å; V625-Y663 HydrophobicContact CG2-CE1 3.85Å; V625-Y663 HydrophobicContact CG2-CE2 3.65Å; V625-Y663 HydrophobicContact CG2-CG 3.88Å; V625-L666 HydrophobicContact CG1-CD2 4.11Å |
| 626 | Q | 98.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 176.8 | -75.7 | 175 | 71.5 | 0 | 0 | 111.1 | I510 E511 E513 F523 S622 D623 T628 K629 F630 | I510-Q626 HydrophobicContact CG2-CB 4.35Å; E511-Q626 PolarHBondContact O-OE1 2.99Å; E513-Q626 HydrophobicContact CG-CG 4.19Å; F523-Q626 HydrophobicContact CE1-CB 4.35Å; F523-Q626 HydrophobicContact CZ-CB 4.08Å; S622-Q626 WeakPolarHBondContact O-CG 3.43Å; S622-Q626 PolarHBondContact O-N 2.91Å; S622-Q626 PolarHBondContact OG-NE2 2.79Å; S622-Q626 VanDerWaalsContact OG-NE2 3.13Å; D623-Q626 PolarHBondContact O-N 3.03Å; Q626-T628 VanDerWaalsContact C-N 3.35Å; Q626-T628 PolarHBondContact O-N 3.49Å; Q626-K629 PolarHBondContact O-N 3.09Å; Q626-F630 WeakPolarHBondContact O-CB 3.38Å; Q626-F630 PolarHBondContact O-N 3.33Å |
| 627 | A | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I510 F523 C525 L594 I596 D623 F630 A631 | I510-A627 VanDerWaalsContact CD1-CA 3.49Å; I510-A627 HydrophobicContact CD1-CB 3.89Å; F523-A627 HydrophobicContact CE2-CB 4.01Å; F523-A627 HydrophobicContact CZ-CB 4.27Å; C525-A627 HydrophobicContact CB-CB 4.26Å; L594-A627 HydrophobicContact CD2-CB 4Å; L594-A627 WeakPolarHBondContact CD2-O 3.18Å; I596-A627 HydrophobicContact CD1-CB 4.04Å; I596-A627 HydrophobicContact CG1-CB 3.8Å; I596-A627 HydrophobicContact CG2-CB 4.25Å; D623-A627 WeakPolarHBondContact O-CB 3.19Å; D623-A627 PolarHBondContact O-N 3.36Å; A627-F630 WeakPolarHBondContact O-CB 3.49Å; A627-F630 PolarHBondContact O-N 3.38Å; A627-A631 WeakPolarHBondContact O-CB 3.44Å; A627-A631 PolarHBondContact O-N 2.97Å |
| 628 | T | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 178 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | L563 V565 C624 V625 Q626 F630 A631 L632 A644 L666 Y667 | L563-T628 HydrophobicContact CD2-CG2 4.48Å; V565-T628 WeakPolarHBondContact CG1-OG1 3.22Å; V565-T628 HydrophobicContact CG2-CG2 3.93Å; V565-T628 WeakPolarHBondContact CG2-OG1 3.43Å; C624-T628 WeakPolarHBondContact O-CB 3.43Å; C624-T628 PolarHBondContact O-N 3.24Å; C624-T628 PolarHBondContact O-OG1 2.92Å; V625-T628 PolarHBondContact O-N 3.41Å; Q626-T628 VanDerWaalsContact C-N 3.35Å; Q626-T628 PolarHBondContact O-N 3.49Å; T628-F630 VanDerWaalsContact C-N 3.31Å; T628-F630 PolarHBondContact O-N 3.32Å; T628-A631 PolarHBondContact O-N 3.46Å; T628-L632 HydrophobicContact CG2-CD1 4Å; T628-L632 HydrophobicContact CG2-CG 4.38Å; T628-L632 WeakPolarHBondContact O-CB 3.3Å; T628-L632 VanDerWaalsContact O-CG 3.3Å; T628-L632 WeakPolarHBondContact O-CG 3.31Å; T628-L632 PolarHBondContact O-N 3.48Å; T628-A644 HydrophobicContact CG2-CB 3.96Å; T628-L666 HydrophobicContact CG2-CD1 4.1Å; T628-L666 HydrophobicContact CG2-CD2 3.99Å; T628-L666 HydrophobicContact CG2-CG 3.99Å; T628-Y667 WeakPolarHBondContact CB-OH 3.25Å; T628-Y667 HydrophobicContact CG2-CE1 3.67Å; T628-Y667 PolarHBondContact OG1-OH 3.3Å |
| 629 | K | 97.2 | Very high | 92.8 | Very high | 105 Ų | 105 | 38.4 Ų | 38.4 | 46% | 0.457 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 176.5 | -70.9 | 173.6 | -178.3 | 174 | 0 | 111.4 | V625 Q626 N633 L666 | V625-K629 HydrophobicContact CG1-CD 4.3Å; V625-K629 WeakPolarHBondContact O-CG 3Å; V625-K629 PolarHBondContact O-N 3.02Å; Q626-K629 PolarHBondContact O-N 3.09Å; K629-N633 WeakPolarHBondContact O-CB 3.43Å; K629-N633 PolarHBondContact O-N 3.46Å; K629-L666 HydrophobicContact CG-CD2 4.44Å |
| 630 | F | 97.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 28% | 0.281 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.2 | -52.6 | 176 | 170.9 | -91.3 | 0 | 0 | 0 | 111.5 | H508 I510 Q626 A627 T628 L632 N633 Y634 | H508-F630 HydrophobicContact CB-CD1 4.46Å; H508-F630 HydrophobicContact CB-CE1 3.54Å; H508-F630 HydrophobicContact CB-CZ 3.64Å; H508-F630 AromaticContact CD2-CE1 3.64Å; H508-F630 AromaticContact CG-CE1 3.41Å; H508-F630 VanDerWaalsContact CG-CE1 3.41Å; H508-F630 AromaticContact CG-CZ 3.47Å; H508-F630 VanDerWaalsContact CG-CZ 3.47Å; H508-F630 AromaticContact ND1-CE1 3.9Å; H508-F630 AromaticContact ND1-CZ 3.52Å; I510-F630 HydrophobicContact CD1-CB 3.88Å; I510-F630 HydrophobicContact CD1-CD1 4.15Å; I510-F630 HydrophobicContact CD1-CG 3.98Å; I510-F630 HydrophobicContact CG1-CG 4.34Å; Q626-F630 WeakPolarHBondContact O-CB 3.38Å; Q626-F630 PolarHBondContact O-N 3.33Å; A627-F630 WeakPolarHBondContact O-CB 3.49Å; A627-F630 PolarHBondContact O-N 3.38Å; T628-F630 VanDerWaalsContact C-N 3.31Å; T628-F630 PolarHBondContact O-N 3.32Å; F630-L632 PolarHBondContact O-N 2.7Å; F630-N633 PolarHBondContact O-N 3.14Å; F630-Y634 HydrophobicContact CZ-CD2 4.22Å; F630-Y634 WeakPolarHBondContact O-CB 3.38Å; F630-Y634 PolarHBondContact O-N 3.17Å |
| 631 | A | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L527 L563 L594 A627 T628 N633 Y634 L635 | L527-A631 HydrophobicContact CD1-CB 4.09Å; L563-A631 HydrophobicContact CD1-CB 4.37Å; L563-A631 HydrophobicContact CD2-CB 3.71Å; L594-A631 HydrophobicContact CD1-CB 4Å; L594-A631 HydrophobicContact CD2-CB 3.85Å; L594-A631 HydrophobicContact CG-CB 4.37Å; A627-A631 WeakPolarHBondContact O-CB 3.44Å; A627-A631 PolarHBondContact O-N 2.97Å; T628-A631 PolarHBondContact O-N 3.46Å; A631-N633 VanDerWaalsContact C-N 3.35Å; A631-N633 PolarHBondContact O-N 3.48Å; A631-Y634 PolarHBondContact O-N 3.38Å; A631-L635 WeakPolarHBondContact O-CB 3.49Å; A631-L635 WeakPolarHBondContact O-CG 3.38Å; A631-L635 PolarHBondContact O-N 3.39Å |
| 632 | L | 95.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.3 | -71.5 | 175.7 | 0 | 0 | 0 | 111.4 | L563 T628 F630 L635 Q636 L642 A644 L666 | L563-L632 HydrophobicContact CB-CD2 4.11Å; L563-L632 HydrophobicContact CD2-CD2 3.85Å; L563-L632 HydrophobicContact CD2-CG 3.94Å; T628-L632 HydrophobicContact CG2-CD1 4Å; T628-L632 HydrophobicContact CG2-CG 4.38Å; T628-L632 WeakPolarHBondContact O-CB 3.3Å; T628-L632 VanDerWaalsContact O-CG 3.3Å; T628-L632 WeakPolarHBondContact O-CG 3.31Å; T628-L632 PolarHBondContact O-N 3.48Å; F630-L632 PolarHBondContact O-N 2.7Å; L632-L635 PolarHBondContact O-N 3.02Å; L632-Q636 WeakPolarHBondContact O-CB 3.36Å; L632-Q636 PolarHBondContact O-N 3.34Å; L632-L642 HydrophobicContact CD2-CB 4.13Å; L632-L642 HydrophobicContact CD2-CD2 4.21Å; L632-L642 HydrophobicContact CD2-CG 4.35Å; L632-L642 WeakPolarHBondContact CD2-O 3.22Å; L632-A644 HydrophobicContact CD1-CB 4.37Å; L632-A644 HydrophobicContact CD2-CB 4.48Å; L632-L666 HydrophobicContact CD1-CD1 3.71Å |
| 633 | N | 94 | Very high | 89.9 | Confident | 105 Ų | 105 | 52.6 Ų | 52.6 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -66 | -39.6 | 176 | -174.9 | 28.1 | 0 | 0 | 0 | 112 | K629 F630 A631 L635 Q636 | K629-N633 WeakPolarHBondContact O-CB 3.43Å; K629-N633 PolarHBondContact O-N 3.46Å; F630-N633 PolarHBondContact O-N 3.14Å; A631-N633 VanDerWaalsContact C-N 3.35Å; A631-N633 PolarHBondContact O-N 3.48Å; N633-L635 VanDerWaalsContact C-N 3.31Å; N633-L635 PolarHBondContact O-N 3.35Å; N633-Q636 PolarHBondContact O-N 2.89Å |
| 634 | Y | 92.9 | Very high | 89.9 | Confident | 52 Ų | 52 | 52.6 Ų | 52.6 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 176 | -175.6 | -83.5 | 0 | 0 | 0 | 111.4 | H508 L527 F630 A631 K637 | H508-Y634 AromaticContact CE1-CD2 3.99Å; H508-Y634 AromaticContact CE1-CE2 3.54Å; H508-Y634 AromaticContact NE2-CE2 3.94Å; L527-Y634 HydrophobicContact CD2-CD1 3.58Å; L527-Y634 HydrophobicContact CD2-CE1 3.99Å; L527-Y634 HydrophobicContact CD2-CG 4.24Å; F630-Y634 HydrophobicContact CZ-CD2 4.22Å; F630-Y634 WeakPolarHBondContact O-CB 3.38Å; F630-Y634 PolarHBondContact O-N 3.17Å; A631-Y634 PolarHBondContact O-N 3.38Å; Y634-K637 VanDerWaalsContact O-CD 3.32Å; Y634-K637 WeakPolarHBondContact O-CD 3.48Å; Y634-K637 WeakPolarHBondContact O-CE 3.29Å; Y634-K637 WeakPolarHBondContact O-CG 3.26Å |
| 635 | L | 91.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -81.5 | -21.3 | -178.9 | -66.3 | 168.8 | 0 | 0 | 0 | 113.5 | L527 H529 L532 L560 L563 A592 A631 L632 N633 K637 Y638 L642 | L527-L635 HydrophobicContact CD1-CD1 4.38Å; L527-L635 HydrophobicContact CD2-CD2 4.25Å; L527-L635 HydrophobicContact CD2-CG 4.26Å; H529-L635 HydrophobicContact CB-CD2 4.36Å; L532-L635 HydrophobicContact CD1-CD2 4.5Å; L560-L635 HydrophobicContact CD2-CD1 4.11Å; L560-L635 HydrophobicContact CD2-CD2 4.35Å; L563-L635 HydrophobicContact CD1-CD1 4.06Å; A592-L635 HydrophobicContact CB-CD1 3.68Å; A631-L635 WeakPolarHBondContact O-CB 3.49Å; A631-L635 WeakPolarHBondContact O-CG 3.38Å; A631-L635 PolarHBondContact O-N 3.39Å; L632-L635 PolarHBondContact O-N 3.02Å; N633-L635 VanDerWaalsContact C-N 3.31Å; N633-L635 PolarHBondContact O-N 3.35Å; L635-K637 PolarHBondContact O-N 3.11Å; L635-K637 VanDerWaalsContact O-N 3.08Å; L635-Y638 PolarHBondContact O-N 2.62Å; L635-L642 HydrophobicContact CB-CD2 4.12Å; L635-L642 HydrophobicContact CD1-CD2 3.61Å |
| 636 | Q | 84.2 | Confident | 89.9 | Confident | 111 Ų | 111 | 52.3 Ų | 52.3 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -26.4 | -179.5 | -175.4 | 172.6 | 1.6 | 0 | 0 | 113.1 | L632 N633 Y638 G639 | L632-Q636 WeakPolarHBondContact O-CB 3.36Å; L632-Q636 PolarHBondContact O-N 3.34Å; N633-Q636 PolarHBondContact O-N 2.89Å; Q636-Y638 PolarHBondContact O-N 3.05Å; Q636-Y638 VanDerWaalsContact O-N 3.11Å; Q636-G639 WeakPolarHBondContact CA-O 3.16Å; Q636-G639 CarbonylContact O-C 3.57Å; Q636-G639 PolarHBondContact O-N 2.87Å; Q636-G639 VanDerWaalsContact O-N 3.1Å |
| 637 | K | 78.4 | Confident | 89.9 | Confident | 143 Ų | 143 | 52.1 Ų | 52.1 | 62% | 0.622 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.7 | 175 | -51.7 | 174.4 | -167.6 | 169.5 | 0 | 112.9 | Y634 L635 | Y634-K637 VanDerWaalsContact O-CD 3.32Å; Y634-K637 WeakPolarHBondContact O-CD 3.48Å; Y634-K637 WeakPolarHBondContact O-CE 3.29Å; Y634-K637 WeakPolarHBondContact O-CG 3.26Å; L635-K637 PolarHBondContact O-N 3.11Å; L635-K637 VanDerWaalsContact O-N 3.08Å |
| 638 | Y | 71.8 | Confident | 89.9 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -0.1 | -177.1 | -54.1 | -79.4 | 0 | 0 | 0 | 113.1 | L532 G536 L635 Q636 | L532-Y638 HydrophobicContact CB-CD1 3.59Å; L532-Y638 HydrophobicContact CB-CD2 4.41Å; L532-Y638 HydrophobicContact CB-CE1 4.16Å; L532-Y638 HydrophobicContact CB-CG 3.73Å; L532-Y638 HydrophobicContact CD1-CD1 4.31Å; L532-Y638 HydrophobicContact CD1-CD2 3.69Å; L532-Y638 HydrophobicContact CD1-CG 3.54Å; L532-Y638 HydrophobicContact CG-CG 4.23Å; G536-Y638 WeakPolarHBondContact CA-O 3.48Å; L635-Y638 PolarHBondContact O-N 2.62Å; Q636-Y638 PolarHBondContact O-N 3.05Å; Q636-Y638 VanDerWaalsContact O-N 3.11Å |
| 639 | G | 67.2 | Low | 89.9 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | trans | 165.9 | 135.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q636 | Q636-G639 WeakPolarHBondContact CA-O 3.16Å; Q636-G639 CarbonylContact O-C 3.57Å; Q636-G639 PolarHBondContact O-N 2.87Å; Q636-G639 VanDerWaalsContact O-N 3.1Å | ||
| 640 | S | 66 | Low | 89.9 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 66% | 0.664 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -78.3 | 141.1 | -179.5 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 641 | N | 80.6 | Confident | 90 | Very high | 142 Ų | 142 | 45.3 Ų | 45.3 | 76% | 0.759 | 24% | 0.239 | S | C | * | . | trans | 73.2 | 39 | 168.4 | -53.7 | -28.6 | 0 | 0 | 0 | 116.9 | K643 | N641-K643 PolarHBondContact O-N 3.07Š| ||
| 642 | L | 90.3 | Very high | 90.1 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 18% | 0.183 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 129.7 | 169.2 | -165.7 | 70.4 | 0 | 0 | 0 | 110.7 | L560 G562 L563 L632 L635 | L560-L642 HydrophobicContact CB-CD1 4.14Å; L560-L642 HydrophobicContact CD2-CD1 3.66Å; L560-L642 HydrophobicContact CD2-CD2 3.46Å; L560-L642 VanDerWaalsContact CD2-CD2 3.46Å; L560-L642 HydrophobicContact CD2-CG 4.22Å; L560-L642 HydrophobicContact CG-CD1 3.82Å; L560-L642 HydrophobicContact CG-CD2 4.4Å; G562-L642 VanDerWaalsContact CA-CD1 3.46Å; L563-L642 HydrophobicContact CB-CD2 3.96Å; L632-L642 HydrophobicContact CD2-CB 4.13Å; L632-L642 HydrophobicContact CD2-CD2 4.21Å; L632-L642 HydrophobicContact CD2-CG 4.35Å; L632-L642 WeakPolarHBondContact CD2-O 3.22Å; L635-L642 HydrophobicContact CB-CD2 4.12Å; L635-L642 HydrophobicContact CD1-CD2 3.61Å |
| 643 | K | 93.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -91.8 | 137.9 | 178.5 | -66.8 | -179.1 | -176.8 | 179.7 | 0 | 110.6 | G562 L563 N641 L800 | G562-K643 VanDerWaalsContact CA-O 3.28Å; G562-K643 WeakPolarHBondContact CA-O 3.37Å; L563-K643 PolarHBondContact N-O 3.12Å; N641-K643 PolarHBondContact O-N 3.07Å; K643-L800 HydrophobicContact CB-CD2 3.4Å; K643-L800 VanDerWaalsContact CB-CD2 3.4Å; K643-L800 HydrophobicContact CD-CD2 3.75Å; K643-L800 HydrophobicContact CG-CD2 4.22Å; K643-L800 PolarHBondContact NZ-O 3.45Å |
| 644 | A | 97.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L563 V565 T628 L632 Y667 H668 | L563-A644 CarbonylContact O-C 3.58Å; L563-A644 VanDerWaalsContact O-CA 3.3Å; L563-A644 WeakPolarHBondContact O-CA 3.33Å; V565-A644 HydrophobicContact CG2-CB 4.26Å; T628-A644 HydrophobicContact CG2-CB 3.96Å; L632-A644 HydrophobicContact CD1-CB 4.37Å; L632-A644 HydrophobicContact CD2-CB 4.48Å; A644-Y667 HydrophobicContact CB-CD1 4.04Å; A644-Y667 HydrophobicContact CB-CE1 4.44Å; A644-H668 PolarHBondContact O-N 3.15Å; A644-H668 PolarHBondContact O-ND1 2.59Å |
| 645 | V | 98.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 154.8 | 170.7 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | L563 I564 V565 V669 F796 L800 | L563-V645 PolarHBondContact O-N 2.79Å; I564-V645 WeakPolarHBondContact CA-O 3.49Å; I564-V645 HydrophobicContact CB-CG2 4.08Å; I564-V645 HydrophobicContact CG1-CG2 3.65Å; I564-V645 HydrophobicContact CG2-CG2 4.23Å; V565-V645 PolarHBondContact N-O 2.91Å; V645-V669 CarbonylContact C-O 3.6Å; V645-V669 VanDerWaalsContact CA-O 3.25Å; V645-V669 WeakPolarHBondContact CA-O 3.15Å; V645-V669 HydrophobicContact CB-CB 4.11Å; V645-V669 HydrophobicContact CG1-CB 3.72Å; V645-V669 HydrophobicContact CG1-CG2 3.99Å; V645-F796 HydrophobicContact CB-CD1 4.01Å; V645-F796 HydrophobicContact CB-CE1 4.22Å; V645-F796 HydrophobicContact CG1-CD1 4.34Å; V645-F796 HydrophobicContact CG2-CD1 3.91Å; V645-F796 HydrophobicContact CG2-CD2 4.2Å; V645-F796 HydrophobicContact CG2-CE1 4.04Å; V645-F796 HydrophobicContact CG2-CE2 4.32Å; V645-F796 HydrophobicContact CG2-CG 4.02Å; V645-F796 HydrophobicContact CG2-CZ 4.26Å; V645-L800 HydrophobicContact CG1-CD1 3.75Å; V645-L800 HydrophobicContact CG1-CD2 3.55Å; V645-L800 HydrophobicContact CG1-CG 3.71Å |
| 646 | L | 98.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137 | -177.2 | -67.2 | 158.8 | 0 | 0 | 0 | 110.9 | V565 T656 L659 A660 Y667 V669 A670 T671 | V565-L646 HydrophobicContact CB-CD2 4.11Å; V565-L646 HydrophobicContact CG1-CD2 4.18Å; L646-T656 HydrophobicContact CB-CG2 3.7Å; L646-T656 HydrophobicContact CD1-CG2 4.37Å; L646-L659 HydrophobicContact CD1-CB 3.79Å; L646-L659 HydrophobicContact CD2-CB 3.93Å; L646-L659 HydrophobicContact CD2-CD1 3.58Å; L646-L659 HydrophobicContact CD2-CG 4.41Å; L646-A660 HydrophobicContact CD1-CB 3.94Å; L646-Y667 HydrophobicContact CD1-CD1 3.9Å; L646-Y667 HydrophobicContact CD1-CD2 4.13Å; L646-Y667 HydrophobicContact CD1-CG 3.61Å; L646-Y667 HydrophobicContact CD2-CD1 3.56Å; L646-Y667 HydrophobicContact CD2-CE1 3.6Å; L646-Y667 HydrophobicContact CD2-CG 4.1Å; L646-Y667 HydrophobicContact CG-CD1 3.54Å; L646-Y667 HydrophobicContact CG-CE1 4.14Å; L646-Y667 HydrophobicContact CG-CG 3.82Å; L646-V669 PolarHBondContact N-O 2.68Å; L646-A670 HydrophobicContact CB-CB 4.15Å; L646-A670 HydrophobicContact CD1-CB 4.29Å; L646-T671 PolarHBondContact O-N 3.47Å |
| 647 | F | 98.7 | Very high | 91.8 | Very high | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 112 | 171 | 178 | -96.4 | 0 | 0 | 0 | 110.1 | I564 V565 M566 M582 F586 T671 C792 F796 | I564-F647 HydrophobicContact CG2-CB 3.71Å; V565-F647 PolarHBondContact O-N 3.27Å; M566-F647 VanDerWaalsContact CA-O 3.32Å; M566-F647 WeakPolarHBondContact CA-O 3.4Å; M566-F647 HydrophobicContact CE-CD1 3.9Å; M566-F647 HydrophobicContact CE-CE1 4.22Å; M566-F647 HydrophobicContact CG-CB 4.39Å; M566-F647 HydrophobicContact CG-CD1 4.31Å; M582-F647 HydrophobicContact CE-CE1 4.48Å; M582-F647 HydrophobicContact CE-CZ 3.98Å; M582-F647 HydrophobicContact SD-CD1 4.33Å; M582-F647 HydrophobicContact SD-CE1 3.31Å; M582-F647 WeakPolarHBondContact SD-CE1 3.5Å; M582-F647 HydrophobicContact SD-CE2 4.43Å; M582-F647 HydrophobicContact SD-CZ 3.38Å; M582-F647 WeakPolarHBondContact SD-CZ 3.45Å; F586-F647 HydrophobicContact CE2-CD1 4.49Å; F647-T671 WeakPolarHBondContact CA-O 3.29Å; F647-T671 HydrophobicContact CD2-CG2 3.99Å; F647-T671 HydrophobicContact CE2-CG2 4.24Å; F647-C792 VanDerWaalsContact CE2-SG 3.53Å; F647-F796 HydrophobicContact CB-CZ 4.11Å; F647-F796 HydrophobicContact CD2-CZ 4.37Å |
| 648 | G | 98.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 155.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G653 T656 T671 A672 R673 | G648-G653 WeakPolarHBondContact O-CA 3.43Å; G648-T656 PolarHBondContact N-OG1 2.84Å; G648-T671 PolarHBondContact N-O 3.35Å; G648-A672 WeakPolarHBondContact O-CA 3.43Å; G648-R673 PolarHBondContact O-N 3.43Å |
| 649 | G | 98.1 | Very high | 94 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 158.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G569 H651 G652 G653 R673 | G569-G649 WeakPolarHBondContact CA-O 3.45Å; G649-H651 PolarHBondContact O-N 3.46Å; G649-G652 VanDerWaalsContact O-CA 3.32Å; G649-G652 WeakPolarHBondContact O-CA 3.47Å; G649-G652 PolarHBondContact O-N 3.39Å; G649-G653 VanDerWaalsContact C-N 3.27Å; G649-G653 PolarHBondContact O-N 3.22Å; G649-R673 CarbonylContact C-O 3.57Å; G649-R673 WeakPolarHBondContact CA-O 3.32Å |
| 650 | S | 97.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 13% | 0.126 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -123.9 | -174.8 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | G652 G653 F654 R673 N674 V676 H777 | S650-G652 VanDerWaalsContact C-N 3.27Å; S650-G652 PolarHBondContact O-N 2.94Å; S650-G653 CarbonylContact O-C 3.56Å; S650-G653 VanDerWaalsContact O-CA 3.31Å; S650-G653 WeakPolarHBondContact O-CA 3.09Å; S650-G653 PolarHBondContact O-N 3.41Å; S650-F654 PolarHBondContact O-N 2.82Å; S650-R673 PolarHBondContact N-O 2.87Å; S650-N674 VanDerWaalsContact CA-O 3.31Å; S650-N674 WeakPolarHBondContact CA-O 3.47Å; S650-N674 PolarHBondContact N-O 3.15Å; S650-V676 PolarHBondContact O-N 3.07Å; S650-H777 VanDerWaalsContact CB-NE2 3.28Å; S650-H777 WeakPolarHBondContact CB-NE2 3.36Å; S650-H777 PolarHBondContact OG-CE1 2.72Å; S650-H777 PolarHBondContact OG-NE2 3.42Å |
| 651 | H | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.3 | -33 | 169.1 | -164.7 | 77.2 | 0 | 0 | 0 | 113.8 | D620 G649 G653 F654 L655 W691 | D620-H651 IonicContact OD2-CD2 3.79Å; D620-H651 IonicContact OD2-CE1 2.68Å; D620-H651 PolarHBondContact OD2-CE1 3.45Å; D620-H651 IonicContact OD2-NE2 3.8Å; D620-H651 PolarHBondContact OD2-NE2 2.91Å; G649-H651 PolarHBondContact O-N 3.46Å; H651-G653 PolarHBondContact O-N 3.43Å; H651-F654 AromaticContact CE1-CD1 3.51Å; H651-F654 AromaticContact CE1-CE1 3.62Å; H651-F654 AromaticContact ND1-CD1 3.83Å; H651-F654 AromaticContact NE2-CD1 3.93Å; H651-F654 WeakPolarHBondContact O-CA 3.44Å; H651-F654 VanDerWaalsContact O-CB 3.23Å; H651-F654 WeakPolarHBondContact O-CB 3.3Å; H651-F654 PolarHBondContact O-N 2.85Å; H651-F654 VanDerWaalsContact O-N 3.11Å; H651-L655 WeakPolarHBondContact O-CG 3.34Å; H651-L655 PolarHBondContact O-N 3.5Å; H651-W691 AromaticContact ND1-CH2 3.83Å; H651-W691 AromaticContact ND1-CZ2 3.49Å; H651-W691 WeakPolarHBondContact ND1-CZ2 3.4Å |
| 652 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.3 | -27.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P567 H568 G649 S650 T656 | P567-G652 WeakPolarHBondContact CG-O 3.42Å; P567-G652 WeakPolarHBondContact O-CA 3.44Å; H568-G652 WeakPolarHBondContact O-CA 3.29Å; H568-G652 PolarHBondContact O-N 3.32Å; H568-G652 VanDerWaalsContact O-N 3.09Å; G649-G652 VanDerWaalsContact O-CA 3.32Å; G649-G652 WeakPolarHBondContact O-CA 3.47Å; G649-G652 PolarHBondContact O-N 3.39Å; S650-G652 VanDerWaalsContact C-N 3.27Å; S650-G652 PolarHBondContact O-N 2.94Å; G652-T656 WeakPolarHBondContact O-CB 3.4Å; G652-T656 PolarHBondContact O-N 3.27Å; G652-T656 PolarHBondContact O-OG1 3.04Å |
| 653 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -72.1 | -39.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G648 G649 S650 H651 T656 L657 | G648-G653 WeakPolarHBondContact O-CA 3.43Å; G649-G653 VanDerWaalsContact C-N 3.27Å; G649-G653 PolarHBondContact O-N 3.22Å; S650-G653 CarbonylContact O-C 3.56Å; S650-G653 VanDerWaalsContact O-CA 3.31Å; S650-G653 WeakPolarHBondContact O-CA 3.09Å; S650-G653 PolarHBondContact O-N 3.41Å; H651-G653 PolarHBondContact O-N 3.43Å; G653-T656 WeakPolarHBondContact O-CB 3.46Å; G653-T656 PolarHBondContact O-N 3.42Å; G653-L657 WeakPolarHBondContact O-CG 3.48Å; G653-L657 PolarHBondContact O-N 3.06Å |
| 654 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 169.7 | 166.7 | -86 | 0 | 0 | 0 | 111.7 | I616 S650 H651 L657 H658 V676 Q721 P723 | I616-F654 HydrophobicContact CB-CE1 4.34Å; I616-F654 HydrophobicContact CB-CZ 4.34Å; I616-F654 HydrophobicContact CD1-CZ 4.03Å; I616-F654 HydrophobicContact CG1-CZ 4.42Å; S650-F654 PolarHBondContact O-N 2.82Å; H651-F654 AromaticContact CE1-CD1 3.51Å; H651-F654 AromaticContact CE1-CE1 3.62Å; H651-F654 AromaticContact ND1-CD1 3.83Å; H651-F654 AromaticContact NE2-CD1 3.93Å; H651-F654 WeakPolarHBondContact O-CA 3.44Å; H651-F654 VanDerWaalsContact O-CB 3.23Å; H651-F654 WeakPolarHBondContact O-CB 3.3Å; H651-F654 PolarHBondContact O-N 2.85Å; H651-F654 VanDerWaalsContact O-N 3.11Å; F654-L657 PolarHBondContact O-N 3.11Å; F654-H658 AromaticContact CD1-CD2 3.68Å; F654-H658 AromaticContact CE1-CD2 3.42Å; F654-H658 VanDerWaalsContact CE1-CD2 3.42Å; F654-H658 WeakPolarHBondContact CE1-CD2 3.35Å; F654-H658 AromaticContact CE1-NE2 3.62Å; F654-H658 AromaticContact CE2-CD2 3.95Å; F654-H658 AromaticContact CE2-NE2 3.51Å; F654-H658 AromaticContact CZ-CD2 3.58Å; F654-H658 AromaticContact CZ-NE2 3.25Å; F654-H658 WeakPolarHBondContact CZ-NE2 3.12Å; F654-H658 PolarHBondContact O-CD2 2.72Å; F654-H658 PolarHBondContact O-N 3.41Å; F654-V676 WeakPolarHBondContact CA-O 3.34Å; F654-V676 HydrophobicContact CB-CB 4.03Å; F654-V676 WeakPolarHBondContact CB-O 3.48Å; F654-V676 HydrophobicContact CD2-CB 4.22Å; F654-V676 HydrophobicContact CD2-CG1 4.03Å; F654-Q721 WeakPolarHBondContact CE2-O 3.46Å; F654-Q721 WeakPolarHBondContact CZ-O 3.41Å; F654-P723 HydrophobicContact CB-CG 4.46Å; F654-P723 HydrophobicContact CD2-CG 3.57Å; F654-P723 VanDerWaalsContact CE2-CD 3.44Å; F654-P723 HydrophobicContact CE2-CG 4.07Å; F654-P723 HydrophobicContact CG-CG 4.04Å |
| 655 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 173.7 | -71.2 | 174.6 | 0 | 0 | 0 | 111.5 | P567 Y598 D620 V621 H651 L657 H658 L659 | P567-L655 HydrophobicContact CB-CB 4.02Å; P567-L655 HydrophobicContact CB-CD1 3.63Å; P567-L655 HydrophobicContact CB-CG 4.48Å; P567-L655 HydrophobicContact CG-CB 3.91Å; P567-L655 HydrophobicContact CG-CD1 4.45Å; Y598-L655 HydrophobicContact CD1-CD1 3.98Å; Y598-L655 HydrophobicContact CE1-CD1 3.45Å; Y598-L655 VanDerWaalsContact CE1-CD1 3.45Å; D620-L655 HydrophobicContact CB-CD1 4.31Å; D620-L655 HydrophobicContact CB-CD2 3.86Å; V621-L655 HydrophobicContact CB-CD2 4.5Å; V621-L655 HydrophobicContact CG2-CD2 3.57Å; H651-L655 WeakPolarHBondContact O-CG 3.34Å; H651-L655 PolarHBondContact O-N 3.5Å; L655-L657 VanDerWaalsContact C-N 3.28Å; L655-L657 PolarHBondContact O-N 2.99Å; L655-H658 PolarHBondContact O-N 3.39Å; L655-L659 VanDerWaalsContact O-CB 3.29Å; L655-L659 WeakPolarHBondContact O-CB 3.27Å; L655-L659 WeakPolarHBondContact O-CG 3.13Å; L655-L659 PolarHBondContact O-N 3.15Å |
| 656 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -53.5 | -44.4 | 175.2 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | L646 G648 G652 G653 A660 A670 A672 | L646-T656 HydrophobicContact CB-CG2 3.7Å; L646-T656 HydrophobicContact CD1-CG2 4.37Å; G648-T656 PolarHBondContact N-OG1 2.84Å; G652-T656 WeakPolarHBondContact O-CB 3.4Å; G652-T656 PolarHBondContact O-N 3.27Å; G652-T656 PolarHBondContact O-OG1 3.04Å; G653-T656 WeakPolarHBondContact O-CB 3.46Å; G653-T656 PolarHBondContact O-N 3.42Å; T656-A660 VanDerWaalsContact O-CB 3.27Å; T656-A660 WeakPolarHBondContact O-CB 3.18Å; T656-A660 PolarHBondContact O-N 2.83Å; T656-A670 HydrophobicContact CG2-CB 3.98Å; T656-A672 HydrophobicContact CG2-CB 4.07Å |
| 657 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -73.3 | -37.4 | 179.9 | -64 | 179 | 0 | 0 | 0 | 113.2 | G653 F654 L655 S661 A672 P675 T677 P723 W731 L735 F754 | G653-L657 WeakPolarHBondContact O-CG 3.48Å; G653-L657 PolarHBondContact O-N 3.06Å; F654-L657 PolarHBondContact O-N 3.11Å; L655-L657 VanDerWaalsContact C-N 3.28Å; L655-L657 PolarHBondContact O-N 2.99Å; L657-S661 WeakPolarHBondContact O-CB 3.41Å; L657-S661 PolarHBondContact O-N 3.18Å; L657-S661 PolarHBondContact O-OG 3.13Å; L657-A672 HydrophobicContact CD2-CB 4.17Å; L657-A672 HydrophobicContact CG-CB 4.4Å; L657-P675 HydrophobicContact CD1-CB 3.91Å; L657-P675 HydrophobicContact CD1-CG 4.03Å; L657-P675 HydrophobicContact CG-CB 4.46Å; L657-T677 HydrophobicContact CD1-CG2 3.6Å; L657-P723 HydrophobicContact CB-CB 3.55Å; L657-P723 HydrophobicContact CB-CG 4.02Å; L657-P723 HydrophobicContact CD1-CB 4.4Å; L657-W731 HydrophobicContact CD2-CH2 4.17Å; L657-L735 HydrophobicContact CD2-CD1 3.96Å; L657-L735 HydrophobicContact CD2-CD2 4.04Å; L657-F754 HydrophobicContact CB-CZ 4.41Å; L657-F754 HydrophobicContact CD1-CD1 4.48Å; L657-F754 HydrophobicContact CD1-CD2 4.14Å; L657-F754 HydrophobicContact CD1-CE1 4.46Å; L657-F754 HydrophobicContact CD1-CE2 4.11Å; L657-F754 HydrophobicContact CD1-CG 4.33Å; L657-F754 HydrophobicContact CD1-CZ 4.28Å; L657-F754 HydrophobicContact CD2-CD1 4.32Å; L657-F754 HydrophobicContact CD2-CE1 3.81Å; L657-F754 HydrophobicContact CD2-CZ 3.97Å; L657-F754 HydrophobicContact CG-CZ 4.45Å |
| 658 | H | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 171.2 | -87.8 | -62.3 | 0 | 0 | 0 | 112 | S617 V621 F654 L655 S661 R662 Q721 P723 Y726 | S617-H658 VanDerWaalsContact CB-CE1 3.43Å; S617-H658 WeakPolarHBondContact CB-CE1 3.34Å; S617-H658 WeakPolarHBondContact CB-NE2 3.24Å; V621-H658 HydrophobicContact CG2-CB 3.7Å; F654-H658 AromaticContact CD1-CD2 3.68Å; F654-H658 AromaticContact CE1-CD2 3.42Å; F654-H658 VanDerWaalsContact CE1-CD2 3.42Å; F654-H658 WeakPolarHBondContact CE1-CD2 3.35Å; F654-H658 AromaticContact CE1-NE2 3.62Å; F654-H658 AromaticContact CE2-CD2 3.95Å; F654-H658 AromaticContact CE2-NE2 3.51Å; F654-H658 AromaticContact CZ-CD2 3.58Å; F654-H658 AromaticContact CZ-NE2 3.25Å; F654-H658 WeakPolarHBondContact CZ-NE2 3.12Å; F654-H658 PolarHBondContact O-CD2 2.72Å; F654-H658 PolarHBondContact O-N 3.41Å; L655-H658 PolarHBondContact O-N 3.39Å; H658-S661 WeakPolarHBondContact CA-OG 3.31Å; H658-S661 PolarHBondContact O-N 3.16Å; H658-S661 PolarHBondContact O-OG 2.85Å; H658-S661 VanDerWaalsContact O-OG 3.05Å; H658-R662 PolarHBondContact ND1-NH1 3.13Å; H658-R662 VanDerWaalsContact O-CB 3.29Å; H658-R662 WeakPolarHBondContact O-CB 3.49Å; H658-R662 WeakPolarHBondContact O-CG 3.41Å; H658-R662 PolarHBondContact O-N 3.3Å; H658-Q721 PolarHBondContact CE1-O 2.81Å; H658-Q721 VanDerWaalsContact CE1-O 3.26Å; H658-Q721 PolarHBondContact NE2-O 3.06Å; H658-P723 WeakPolarHBondContact NE2-CD 3.2Å; H658-Y726 AromaticContact CE1-CD2 3.68Å; H658-Y726 AromaticContact CE1-CE2 3.62Å; H658-Y726 AromaticContact ND1-CD2 3.74Å; H658-Y726 AromaticContact ND1-CE2 3.95Å |
| 659 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | -179.9 | -68.5 | 170.6 | 0 | 0 | 0 | 110.9 | V621 C624 V625 L646 L655 Y663 Y667 | V621-L659 HydrophobicContact CG1-CD2 4Å; C624-L659 HydrophobicContact CB-CD1 3.73Å; C624-L659 HydrophobicContact CB-CD2 4.01Å; C624-L659 HydrophobicContact CB-CG 4.45Å; V625-L659 HydrophobicContact CG2-CD2 3.57Å; L646-L659 HydrophobicContact CD1-CB 3.79Å; L646-L659 HydrophobicContact CD2-CB 3.93Å; L646-L659 HydrophobicContact CD2-CD1 3.58Å; L646-L659 HydrophobicContact CD2-CG 4.41Å; L655-L659 VanDerWaalsContact O-CB 3.29Å; L655-L659 WeakPolarHBondContact O-CB 3.27Å; L655-L659 WeakPolarHBondContact O-CG 3.13Å; L655-L659 PolarHBondContact O-N 3.15Å; L659-Y663 HydrophobicContact CD2-CD2 4.21Å; L659-Y663 CarbonylContact O-C 3.51Å; L659-Y663 WeakPolarHBondContact O-CA 3.15Å; L659-Y663 WeakPolarHBondContact O-CB 3.4Å; L659-Y663 PolarHBondContact O-N 2.67Å; L659-Y667 HydrophobicContact CB-CD2 3.93Å; L659-Y667 HydrophobicContact CB-CE2 3.66Å; L659-Y667 HydrophobicContact CD2-CE2 3.77Å; L659-Y667 HydrophobicContact CG-CE2 4.17Å |
| 660 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L646 T656 A670 W731 V733 | L646-A660 HydrophobicContact CD1-CB 3.94Å; T656-A660 VanDerWaalsContact O-CB 3.27Å; T656-A660 WeakPolarHBondContact O-CB 3.18Å; T656-A660 PolarHBondContact O-N 2.83Å; A660-A670 HydrophobicContact CB-CB 4.12Å; A660-W731 HydrophobicContact CB-CH2 3.41Å; A660-W731 VanDerWaalsContact CB-CH2 3.41Å; A660-W731 HydrophobicContact CB-CZ2 3.73Å; A660-W731 HydrophobicContact CB-CZ3 4.11Å; A660-V733 HydrophobicContact CB-CB 4.19Å; A660-V733 HydrophobicContact CB-CG1 4.15Å; A660-V733 HydrophobicContact CB-CG2 4.27Å; A660-V733 WeakPolarHBondContact O-CG2 3.27Å |
| 661 | S | 97.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.1 | -46.3 | 177.3 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | L657 H658 | L657-S661 WeakPolarHBondContact O-CB 3.41Å; L657-S661 PolarHBondContact O-N 3.18Å; L657-S661 PolarHBondContact O-OG 3.13Å; H658-S661 WeakPolarHBondContact CA-OG 3.31Å; H658-S661 PolarHBondContact O-N 3.16Å; H658-S661 PolarHBondContact O-OG 2.85Å; H658-S661 VanDerWaalsContact O-OG 3.05Å |
| 662 | R | 97.6 | Very high | 97.9 | Very high | 85 Ų | 85 | 23.4 Ų | 23.4 | 32% | 0.321 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -93.4 | -23.9 | -167.4 | -63.3 | 162.1 | 62.2 | -178.6 | -0.9 | 113.5 | S617 H658 Y726 | S617-R662 PolarHBondContact O-NH1 3.45Å; H658-R662 PolarHBondContact ND1-NH1 3.13Å; H658-R662 VanDerWaalsContact O-CB 3.29Å; H658-R662 WeakPolarHBondContact O-CB 3.49Å; H658-R662 WeakPolarHBondContact O-CG 3.41Å; H658-R662 PolarHBondContact O-N 3.3Å; R662-Y726 HydrophobicContact CG-CD1 4.12Å; R662-Y726 HydrophobicContact CG-CG 4.12Å |
| 663 | Y | 97.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 26.5 Ų | 26.5 | 30% | 0.298 | 12% | 0.121 | S | C | . | . | trans | -127.1 | 40.4 | -175 | -57.8 | -88.1 | 0 | 0 | 0 | 112.4 | V621 V625 L659 N665 L666 Y667 | V621-Y663 HydrophobicContact CG1-CD2 4.47Å; V621-Y663 HydrophobicContact CG1-CE2 3.63Å; V625-Y663 HydrophobicContact CG1-CD1 4.32Å; V625-Y663 HydrophobicContact CG1-CE1 4.17Å; V625-Y663 HydrophobicContact CG2-CD1 3.94Å; V625-Y663 HydrophobicContact CG2-CD2 3.74Å; V625-Y663 HydrophobicContact CG2-CE1 3.85Å; V625-Y663 HydrophobicContact CG2-CE2 3.65Å; V625-Y663 HydrophobicContact CG2-CG 3.88Å; L659-Y663 HydrophobicContact CD2-CD2 4.21Å; L659-Y663 CarbonylContact O-C 3.51Å; L659-Y663 WeakPolarHBondContact O-CA 3.15Å; L659-Y663 WeakPolarHBondContact O-CB 3.4Å; L659-Y663 PolarHBondContact O-N 2.67Å; Y663-N665 PolarHBondContact O-N 3.32Å; Y663-L666 WeakPolarHBondContact O-CB 3.5Å; Y663-L666 PolarHBondContact O-N 2.9Å; Y663-Y667 HydrophobicContact CG-CE2 4.49Å; Y663-Y667 WeakPolarHBondContact O-CD2 3.34Å; Y663-Y667 PolarHBondContact O-N 3.46Å | ||
| 664 | K | 92.8 | Very high | 97.9 | Very high | 64 Ų | 64 | 26.5 Ų | 26.5 | 28% | 0.278 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -17.6 | -178.4 | 67.1 | -170.4 | 177.9 | -173.6 | 0 | 116.9 | T730 V733 | K664-T730 WeakPolarHBondContact CD-O 3.34Å; K664-T730 PolarHBondContact NZ-O 2.65Å; K664-T730 PolarHBondContact NZ-OG1 2.97Å; K664-V733 HydrophobicContact CB-CG2 3.91Å |
| 665 | N | 94.7 | Very high | 97.9 | Very high | 149 Ų | 149 | 26.6 Ų | 26.6 | 80% | 0.797 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -21 | 174.4 | -65.9 | -21 | 0 | 0 | 0 | 112.6 | Y663 | Y663-N665 PolarHBondContact O-N 3.32Š|
| 666 | L | 97.1 | Very high | 97.9 | Very high | 34 Ų | 34 | 26.7 Ų | 26.7 | 18% | 0.178 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -40.9 | 178.5 | -176.5 | 59 | 0 | 0 | 0 | 110.9 | V625 T628 K629 L632 Y663 H668 | V625-L666 HydrophobicContact CG1-CD2 4.11Å; T628-L666 HydrophobicContact CG2-CD1 4.1Å; T628-L666 HydrophobicContact CG2-CD2 3.99Å; T628-L666 HydrophobicContact CG2-CG 3.99Å; K629-L666 HydrophobicContact CG-CD2 4.44Å; L632-L666 HydrophobicContact CD1-CD1 3.71Å; Y663-L666 WeakPolarHBondContact O-CB 3.5Å; Y663-L666 PolarHBondContact O-N 2.9Å; L666-H668 PolarHBondContact O-ND1 2.89Å |
| 667 | Y | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.6 | -176.2 | -54.4 | -75.5 | 0 | 0 | 0 | 111.6 | V565 C624 T628 A644 L646 L659 Y663 V733 | V565-Y667 HydrophobicContact CB-CE1 4.31Å; V565-Y667 HydrophobicContact CG1-CE1 4.33Å; V565-Y667 HydrophobicContact CG2-CE1 4.09Å; C624-Y667 PolarHBondContact O-OH 3.1Å; T628-Y667 WeakPolarHBondContact CB-OH 3.25Å; T628-Y667 HydrophobicContact CG2-CE1 3.67Å; T628-Y667 PolarHBondContact OG1-OH 3.3Å; A644-Y667 HydrophobicContact CB-CD1 4.04Å; A644-Y667 HydrophobicContact CB-CE1 4.44Å; L646-Y667 HydrophobicContact CD1-CD1 3.9Å; L646-Y667 HydrophobicContact CD1-CD2 4.13Å; L646-Y667 HydrophobicContact CD1-CG 3.61Å; L646-Y667 HydrophobicContact CD2-CD1 3.56Å; L646-Y667 HydrophobicContact CD2-CE1 3.6Å; L646-Y667 HydrophobicContact CD2-CG 4.1Å; L646-Y667 HydrophobicContact CG-CD1 3.54Å; L646-Y667 HydrophobicContact CG-CE1 4.14Å; L646-Y667 HydrophobicContact CG-CG 3.82Å; L659-Y667 HydrophobicContact CB-CD2 3.93Å; L659-Y667 HydrophobicContact CB-CE2 3.66Å; L659-Y667 HydrophobicContact CD2-CE2 3.77Å; L659-Y667 HydrophobicContact CG-CE2 4.17Å; Y663-Y667 HydrophobicContact CG-CE2 4.49Å; Y663-Y667 WeakPolarHBondContact O-CD2 3.34Å; Y663-Y667 PolarHBondContact O-N 3.46Å; Y667-V733 WeakPolarHBondContact O-CG2 3.31Å |
| 668 | H | 97.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 28.8 Ų | 28.8 | 33% | 0.329 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -28.1 | -168.2 | -65.1 | 75.3 | 0 | 0 | 0 | 113.5 | A644 L666 P734 L800 | A644-H668 PolarHBondContact O-N 3.15Å; A644-H668 PolarHBondContact O-ND1 2.59Å; L666-H668 PolarHBondContact O-ND1 2.89Å; H668-P734 WeakPolarHBondContact O-CD 3.35Å; H668-L800 HydrophobicContact CB-CD2 4.3Å |
| 669 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 142.8 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 108 | V645 L646 P734 W795 F796 H799 L800 | V645-V669 CarbonylContact C-O 3.6Å; V645-V669 VanDerWaalsContact CA-O 3.25Å; V645-V669 WeakPolarHBondContact CA-O 3.15Å; V645-V669 HydrophobicContact CB-CB 4.11Å; V645-V669 HydrophobicContact CG1-CB 3.72Å; V645-V669 HydrophobicContact CG1-CG2 3.99Å; L646-V669 PolarHBondContact N-O 2.68Å; V669-P734 HydrophobicContact CG1-CB 4.5Å; V669-W795 HydrophobicContact CG1-CG 4.3Å; V669-F796 HydrophobicContact CB-CD1 4.36Å; V669-F796 HydrophobicContact CG1-CD1 3.92Å; V669-F796 HydrophobicContact CG1-CE1 4.5Å; V669-H799 HydrophobicContact CB-CB 4.49Å; V669-H799 HydrophobicContact CG1-CB 4.08Å; V669-H799 HydrophobicContact CG2-CB 3.56Å; V669-L800 HydrophobicContact CG2-CD2 4.42Å; V669-L800 HydrophobicContact CG2-CG 4.15Å |
| 670 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L646 T656 A660 V733 P734 L735 L736 W795 | L646-A670 HydrophobicContact CB-CB 4.15Å; L646-A670 HydrophobicContact CD1-CB 4.29Å; T656-A670 HydrophobicContact CG2-CB 3.98Å; A660-A670 HydrophobicContact CB-CB 4.12Å; A670-V733 HydrophobicContact CB-CG1 3.87Å; A670-P734 PolarHBondContact N-O 3.29Å; A670-L735 HydrophobicContact CB-CD1 4.03Å; A670-L735 WeakPolarHBondContact O-CA 3.29Å; A670-L736 PolarHBondContact O-N 3.24Å; A670-W795 PolarHBondContact O-NE1 3.04Å |
| 671 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.2 | 165.4 | -59 | 0 | 0 | 0 | 0 | 109.6 | L646 F647 G648 L736 L738 F796 | L646-T671 PolarHBondContact O-N 3.47Å; F647-T671 WeakPolarHBondContact CA-O 3.29Å; F647-T671 HydrophobicContact CD2-CG2 3.99Å; F647-T671 HydrophobicContact CE2-CG2 4.24Å; G648-T671 PolarHBondContact N-O 3.35Å; T671-L736 CarbonylContact C-O 3.49Å; T671-L736 VanDerWaalsContact CA-O 3.28Å; T671-L736 WeakPolarHBondContact CA-O 3.42Å; T671-L736 HydrophobicContact CG2-CB 4.06Å; T671-L736 HydrophobicContact CG2-CD2 3.95Å; T671-L736 HydrophobicContact CG2-CG 4.03Å; T671-L738 HydrophobicContact CG2-CD1 3.57Å; T671-L738 HydrophobicContact CG2-CG 3.99Å; T671-F796 WeakPolarHBondContact OG1-CE1 3.33Å |
| 672 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G648 T656 L657 P675 L735 L736 M737 L738 | G648-A672 WeakPolarHBondContact O-CA 3.43Å; T656-A672 HydrophobicContact CG2-CB 4.07Å; L657-A672 HydrophobicContact CD2-CB 4.17Å; L657-A672 HydrophobicContact CG-CB 4.4Å; A672-P675 HydrophobicContact CB-CB 4.02Å; A672-P675 HydrophobicContact CB-CG 3.88Å; A672-L735 HydrophobicContact CB-CD1 4.25Å; A672-L736 PolarHBondContact N-O 3.19Å; A672-M737 HydrophobicContact CB-SD 4.38Å; A672-L738 PolarHBondContact O-N 2.9Å |
| 673 | R | 98.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 25% | 0.249 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.5 | -177 | -170.9 | -168.5 | 78.9 | -148.2 | 1.5 | 111.7 | G648 G649 S650 P675 L738 P778 L779 | G648-R673 PolarHBondContact O-N 3.43Å; G649-R673 CarbonylContact C-O 3.57Å; G649-R673 WeakPolarHBondContact CA-O 3.32Å; S650-R673 PolarHBondContact N-O 2.87Å; R673-P675 VanDerWaalsContact C-CD 3.43Å; R673-P675 VanDerWaalsContact C-N 3.26Å; R673-L738 CarbonylContact C-O 3.5Å; R673-L738 WeakPolarHBondContact CA-O 3.29Å; R673-L738 HydrophobicContact CB-CB 4.38Å; R673-L738 HydrophobicContact CG-CB 4.23Å; R673-P778 PolarHBondContact NE-O 2.89Å; R673-L779 HydrophobicContact CG-CD1 3.43Å; R673-L779 VanDerWaalsContact CG-CD1 3.43Å; R673-L779 HydrophobicContact CG-CG 3.95Å |
| 674 | N | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 41.3 | 51.6 | -176.2 | -65.2 | -27 | 0 | 0 | 0 | 112.7 | S650 L738 L739 G740 D743 S776 H777 | S650-N674 VanDerWaalsContact CA-O 3.31Å; S650-N674 WeakPolarHBondContact CA-O 3.47Å; S650-N674 PolarHBondContact N-O 3.15Å; N674-L738 PolarHBondContact N-O 3.41Å; N674-L738 PolarHBondContact OD1-O 3.49Å; N674-L739 VanDerWaalsContact OD1-CA 3.23Å; N674-L739 WeakPolarHBondContact OD1-CA 3.34Å; N674-G740 PolarHBondContact OD1-N 2.91Å; N674-D743 WeakPolarHBondContact CB-OD2 3.44Å; N674-D743 PolarHBondContact ND2-OD2 3.13Å; N674-S776 PolarHBondContact ND2-O 2.68Å; N674-H777 PolarHBondContact ND2-O 2.85Å |
| 675 | P | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | trans | -78.9 | 138.9 | -168.9 | 31.7 | -34.8 | 0 | 0 | 0 | 111.8 | L657 A672 R673 T677 M737 V746 | L657-P675 HydrophobicContact CD1-CB 3.91Å; L657-P675 HydrophobicContact CD1-CG 4.03Å; L657-P675 HydrophobicContact CG-CB 4.46Å; A672-P675 HydrophobicContact CB-CB 4.02Å; A672-P675 HydrophobicContact CB-CG 3.88Å; R673-P675 VanDerWaalsContact C-CD 3.43Å; R673-P675 VanDerWaalsContact C-N 3.26Å; P675-T677 HydrophobicContact CB-CG2 4.37Å; P675-T677 HydrophobicContact CG-CG2 3.95Å; P675-T677 VanDerWaalsContact O-CG2 3.28Å; P675-T677 WeakPolarHBondContact O-CG2 3.23Å; P675-T677 PolarHBondContact O-N 2.77Å; P675-M737 VanDerWaalsContact CD-SD 3.56Å; P675-M737 HydrophobicContact CG-CE 3.88Å; P675-M737 HydrophobicContact CG-SD 3.4Å; P675-M737 WeakPolarHBondContact CG-SD 3.12Å; P675-V746 VanDerWaalsContact O-CG1 3.26Å; P675-V746 WeakPolarHBondContact O-CG1 3.32Å | ||
| 676 | V | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | trans | -66.2 | 119.6 | 164.2 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | S650 F654 L679 L682 W691 V746 | S650-V676 PolarHBondContact O-N 3.07Å; F654-V676 WeakPolarHBondContact CA-O 3.34Å; F654-V676 HydrophobicContact CB-CB 4.03Å; F654-V676 WeakPolarHBondContact CB-O 3.48Å; F654-V676 HydrophobicContact CD2-CB 4.22Å; F654-V676 HydrophobicContact CD2-CG1 4.03Å; V676-L679 HydrophobicContact CG1-CD2 3.67Å; V676-L682 HydrophobicContact CB-CD2 4.39Å; V676-L682 HydrophobicContact CG1-CD2 3.72Å; V676-L682 HydrophobicContact CG2-CD2 3.83Å; V676-W691 HydrophobicContact CB-CH2 4.43Å; V676-W691 HydrophobicContact CG1-CH2 4.22Å; V676-W691 HydrophobicContact CG1-CZ3 4.04Å; V676-W691 HydrophobicContact CG2-CH2 4.05Å; V676-W691 HydrophobicContact CG2-CZ3 4.05Å; V676-V746 HydrophobicContact CG2-CG1 4.2Å; V676-V746 HydrophobicContact CG2-CG2 3.61Å | ||
| 677 | T | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | trans | -111 | -32.6 | -174.9 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | L657 P675 P723 L724 Q750 F754 | L657-T677 HydrophobicContact CD1-CG2 3.6Å; P675-T677 HydrophobicContact CB-CG2 4.37Å; P675-T677 HydrophobicContact CG-CG2 3.95Å; P675-T677 VanDerWaalsContact O-CG2 3.28Å; P675-T677 WeakPolarHBondContact O-CG2 3.23Å; P675-T677 PolarHBondContact O-N 2.77Å; T677-P723 VanDerWaalsContact O-CD 3.28Å; T677-P723 WeakPolarHBondContact O-CD 3.5Å; T677-L724 VanDerWaalsContact O-CB 3.28Å; T677-L724 WeakPolarHBondContact O-CB 3.43Å; T677-L724 PolarHBondContact O-N 3.32Å; T677-Q750 HydrophobicContact CG2-CB 4.13Å; T677-Q750 PolarHBondContact OG1-O 2.82Å; T677-Q750 PolarHBondContact OG1-OE1 2.8Å; T677-F754 HydrophobicContact CG2-CB 3.93Å; T677-F754 HydrophobicContact CG2-CD2 4.29Å; T677-F754 HydrophobicContact CG2-CG 4.29Å | ||
| 678 | H | 98.5 | Very high | 96.8 | Very high | 42 Ų | 42 | 24.4 Ų | 24.4 | 19% | 0.194 | 13% | 0.13 | C | C | . | . | trans | -155 | 102 | -174 | -172.2 | -130.1 | 0 | 0 | 0 | 111.6 | V680 S681 L682 S722 L724 Q750 | H678-V680 VanDerWaalsContact C-N 3.3Å; H678-V680 PolarHBondContact O-N 2.83Å; H678-S681 WeakPolarHBondContact CB-OG 3.19Å; H678-S681 PolarHBondContact ND1-OG 3.49Å; H678-S681 VanDerWaalsContact ND1-OG 3.12Å; H678-S681 PolarHBondContact O-N 3.41Å; H678-S681 VanDerWaalsContact O-N 3.13Å; H678-S681 PolarHBondContact O-OG 3.3Å; H678-L682 PolarHBondContact O-N 2.82Å; H678-L682 VanDerWaalsContact O-N 3.12Å; H678-S722 WeakPolarHBondContact CA-OG 3.19Å; H678-L724 HydrophobicContact CB-CB 4.04Å; H678-L724 HydrophobicContact CB-CD2 3.83Å; H678-Q750 PolarHBondContact O-NE2 3.16Å; H678-Q750 PolarHBondContact O-OE1 2.82Å | ||
| 679 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.5 | -38.5 | -174.6 | -62 | 174 | 0 | 0 | 0 | 112.5 | I616 V676 S681 L682 I683 W691 L718 Q721 S722 | I616-L679 HydrophobicContact CD1-CD1 3.86Å; V676-L679 HydrophobicContact CG1-CD2 3.67Å; L679-S681 VanDerWaalsContact C-N 3.27Å; L679-S681 PolarHBondContact O-N 3.15Å; L679-L682 HydrophobicContact CD2-CD2 4.48Å; L679-L682 WeakPolarHBondContact O-CB 3.06Å; L679-L682 PolarHBondContact O-N 2.49Å; L679-I683 PolarHBondContact O-N 3.32Å; L679-I683 VanDerWaalsContact O-N 3.1Å; L679-W691 HydrophobicContact CD2-CE3 4.47Å; L679-W691 HydrophobicContact CD2-CH2 4.07Å; L679-W691 HydrophobicContact CD2-CZ3 3.5Å; L679-W691 VanDerWaalsContact CD2-CZ3 3.5Å; L679-L718 HydrophobicContact CB-CB 3.96Å; L679-L718 HydrophobicContact CB-CD2 3.82Å; L679-L718 HydrophobicContact CD1-CD2 4.29Å; L679-Q721 HydrophobicContact CD1-CB 3.85Å; L679-S722 PolarHBondContact N-OG 3.48Å |
| 680 | V | 98 | Very high | 96.4 | Very high | 34 Ų | 34 | 21.7 Ų | 21.7 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.6 | -37.5 | 178 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | H678 I683 L715 L718 | H678-V680 VanDerWaalsContact C-N 3.3Å; H678-V680 PolarHBondContact O-N 2.83Å; V680-I683 WeakPolarHBondContact O-CG1 3.29Å; V680-L715 HydrophobicContact CG1-CD2 3.89Å; V680-L715 WeakPolarHBondContact CG2-O 3.41Å; V680-L718 HydrophobicContact CG2-CB 3.71Å |
| 681 | S | 97 | Very high | 96.2 | Very high | 41 Ų | 41 | 22.3 Ų | 22.3 | 29% | 0.287 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -85.3 | -18.2 | 175.2 | 47.5 | 0 | 0 | 0 | 0 | 113.4 | H678 L679 T685 Q750 | H678-S681 WeakPolarHBondContact CB-OG 3.19Å; H678-S681 PolarHBondContact ND1-OG 3.49Å; H678-S681 VanDerWaalsContact ND1-OG 3.12Å; H678-S681 PolarHBondContact O-N 3.41Å; H678-S681 VanDerWaalsContact O-N 3.13Å; H678-S681 PolarHBondContact O-OG 3.3Å; L679-S681 VanDerWaalsContact C-N 3.27Å; L679-S681 PolarHBondContact O-N 3.15Å; S681-T685 PolarHBondContact O-OG1 3.34Å; S681-Q750 PolarHBondContact OG-NE2 3.28Å |
| 682 | L | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -77 | -38.1 | -177.5 | -168.6 | 69.5 | 0 | 0 | 0 | 111.3 | V676 H678 L679 D684 T685 S686 W691 C692 Q750 | V676-L682 HydrophobicContact CB-CD2 4.39Å; V676-L682 HydrophobicContact CG1-CD2 3.72Å; V676-L682 HydrophobicContact CG2-CD2 3.83Å; H678-L682 PolarHBondContact O-N 2.82Å; H678-L682 VanDerWaalsContact O-N 3.12Å; L679-L682 HydrophobicContact CD2-CD2 4.48Å; L679-L682 WeakPolarHBondContact O-CB 3.06Å; L679-L682 PolarHBondContact O-N 2.49Å; L682-D684 PolarHBondContact O-N 3.44Å; L682-D684 VanDerWaalsContact O-N 3.11Å; L682-T685 PolarHBondContact O-N 2.93Å; L682-T685 VanDerWaalsContact O-N 3.09Å; L682-S686 VanDerWaalsContact O-CB 3.22Å; L682-S686 WeakPolarHBondContact O-CB 3.45Å; L682-S686 PolarHBondContact O-N 3.11Å; L682-W691 HydrophobicContact CD2-CE3 3.96Å; L682-W691 HydrophobicContact CD2-CZ3 3.75Å; L682-C692 VanDerWaalsContact CD2-SG 3.59Å; L682-Q750 HydrophobicContact CD1-CG 4.11Å |
| 683 | I | 95.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.9 | 176.8 | 52.9 | 162.9 | 0 | 0 | 0 | 113.7 | L679 V680 P689 C692 Y693 P710 L715 L718 | L679-I683 PolarHBondContact O-N 3.32Å; L679-I683 VanDerWaalsContact O-N 3.1Å; V680-I683 WeakPolarHBondContact O-CG1 3.29Å; I683-P689 VanDerWaalsContact O-CB 3.29Å; I683-P689 WeakPolarHBondContact O-CB 3.42Å; I683-C692 HydrophobicContact CG2-CB 3.36Å; I683-Y693 HydrophobicContact CB-CE2 4.22Å; I683-Y693 HydrophobicContact CG2-CD2 4.34Å; I683-Y693 HydrophobicContact CG2-CE2 3.71Å; I683-P710 HydrophobicContact CD1-CB 4.41Å; I683-P710 HydrophobicContact CD1-CG 3.63Å; I683-L715 HydrophobicContact CD1-CD2 4.32Å; I683-L718 HydrophobicContact CD1-CD1 4.13Å; I683-L718 HydrophobicContact CG2-CD1 4.25Å |
| 684 | D | 92.1 | Very high | 95.8 | Very high | 127 Ų | 127 | 19.8 Ų | 19.8 | 68% | 0.679 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -8 | -178 | -63 | -30 | 0 | 0 | 0 | 113.5 | L682 | L682-D684 PolarHBondContact O-N 3.44Å; L682-D684 VanDerWaalsContact O-N 3.11Å |
| 685 | T | 93.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 19.8 Ų | 19.8 | 42% | 0.417 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -16.5 | -168.5 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | S681 L682 P747 | S681-T685 PolarHBondContact O-OG1 3.34Å; L682-T685 PolarHBondContact O-N 2.93Å; L682-T685 VanDerWaalsContact O-N 3.09Å; T685-P747 WeakPolarHBondContact O-CG 3.47Å |
| 686 | S | 93.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -82.3 | 153.2 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | L682 I688 R744 R745 | L682-S686 VanDerWaalsContact O-CB 3.22Å; L682-S686 WeakPolarHBondContact O-CB 3.45Å; L682-S686 PolarHBondContact O-N 3.11Å; S686-I688 PolarHBondContact O-N 2.86Å; S686-I688 VanDerWaalsContact OG-CG1 3.3Å; S686-I688 WeakPolarHBondContact OG-CG1 3.43Å; S686-I688 PolarHBondContact OG-N 3.47Å; S686-I688 VanDerWaalsContact OG-N 3.08Å; S686-R744 WeakPolarHBondContact CA-O 3.19Å; S686-R745 PolarHBondContact OG-O 3.5Å |
| 687 | D | 91.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -80.4 | 4.1 | 166.7 | 64.1 | -3.7 | 0 | 0 | 0 | 113.5 | E220 G279 R744 R745 | E220-D687 WeakPolarHBondContact CA-OD2 2.91Å; E220-D687 PolarHBondContact N-OD2 3.01Å; G279-D687 PolarHBondContact N-O 3.39Å; D687-R744 HydrophobicContact CB-CB 4.44Å; D687-R744 PolarHBondContact N-O 3.04Å; D687-R744 VanDerWaalsContact N-O 3.15Å; D687-R745 VanDerWaalsContact OD1-CA 3.28Å; D687-R745 WeakPolarHBondContact OD1-CA 3.39Å; D687-R745 IonicContact OD1-CZ 3.65Å; D687-R745 IonicContact OD1-NE 2.82Å; D687-R745 PolarHBondContact OD1-NE 3.45Å; D687-R745 IonicContact OD1-NH2 2.65Å; D687-R745 PolarHBondContact OD1-NH2 2.83Å; D687-R745 IonicContact OD2-CZ 2.77Å; D687-R745 IonicContact OD2-NE 3.14Å; D687-R745 IonicContact OD2-NH2 3.72Å; D687-R745 PolarHBondContact OD2-NH2 2.87Å; D687-R745 VanDerWaalsContact OD2-NH2 3.1Å |
| 688 | I | 92 | Very high | 95.4 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | trans | -137.1 | 62.4 | 170.4 | 52.8 | 161.1 | 0 | 0 | 0 | 112.5 | S686 D690 W691 R745 | S686-I688 PolarHBondContact O-N 2.86Å; S686-I688 VanDerWaalsContact OG-CG1 3.3Å; S686-I688 WeakPolarHBondContact OG-CG1 3.43Å; S686-I688 PolarHBondContact OG-N 3.47Å; S686-I688 VanDerWaalsContact OG-N 3.08Å; I688-D690 VanDerWaalsContact CA-OD1 3.26Å; I688-D690 WeakPolarHBondContact CA-OD1 3.31Å; I688-D690 WeakPolarHBondContact CB-OD1 3.4Å; I688-D690 PolarHBondContact O-N 3.06Å; I688-W691 HydrophobicContact CB-CB 4.26Å; I688-W691 HydrophobicContact CD1-CB 3.68Å; I688-W691 HydrophobicContact CD1-CG 3.94Å; I688-W691 HydrophobicContact CG1-CB 4.16Å; I688-W691 VanDerWaalsContact O-CB 3.31Å; I688-W691 WeakPolarHBondContact O-CB 3.36Å; I688-W691 PolarHBondContact O-N 3.01Å; I688-W691 VanDerWaalsContact O-N 3.16Å; I688-R745 VanDerWaalsContact CG1-CD 3.41Å | ||
| 689 | P | 93.2 | Very high | 95 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.6 | -36.1 | 176.8 | 26 | -36.7 | 0 | 0 | 0 | 112.5 | Y276 L278 I683 W691 C692 Y693 W704 | Y276-P689 HydrophobicContact CE2-CG 4.33Å; L278-P689 HydrophobicContact CD2-CG 4.06Å; I683-P689 VanDerWaalsContact O-CB 3.29Å; I683-P689 WeakPolarHBondContact O-CB 3.42Å; P689-W691 PolarHBondContact O-N 3.26Å; P689-W691 VanDerWaalsContact O-N 3.15Å; P689-C692 WeakPolarHBondContact O-CB 3.22Å; P689-C692 PolarHBondContact O-N 3.33Å; P689-Y693 VanDerWaalsContact O-CD2 3.24Å; P689-Y693 WeakPolarHBondContact O-CD2 3.33Å; P689-W704 HydrophobicContact CB-CH2 3.94Å; P689-W704 HydrophobicContact CB-CZ3 4.29Å; P689-W704 HydrophobicContact CG-CH2 3.72Å; P689-W704 HydrophobicContact CG-CZ3 3.64Å |
| 690 | D | 93.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.1 | -33.4 | 176.9 | 62.3 | -37.5 | 0 | 0 | 0 | 113.5 | L278 R286 H333 I688 C692 Y693 T694 W704 | L278-D690 HydrophobicContact CD1-CB 4.37Å; R286-D690 IonicContact CZ-OD2 2.83Å; R286-D690 IonicContact NH1-OD2 2.7Å; R286-D690 PolarHBondContact NH1-OD2 3Å; R286-D690 IonicContact NH2-OD1 3.2Å; R286-D690 IonicContact NH2-OD2 2.89Å; H333-D690 VanDerWaalsContact CE1-CG 3.41Å; H333-D690 IonicContact CE1-OD1 2.64Å; H333-D690 PolarHBondContact CE1-OD1 2.64Å; H333-D690 IonicContact CE1-OD2 3.97Å; H333-D690 PolarHBondContact CE1-OD2 2.77Å; H333-D690 IonicContact NE2-OD1 2.8Å; H333-D690 IonicContact NE2-OD2 3.9Å; H333-D690 PolarHBondContact NE2-OD2 3.4Å; H333-D690 VanDerWaalsContact NE2-OD2 3.14Å; I688-D690 VanDerWaalsContact CA-OD1 3.26Å; I688-D690 WeakPolarHBondContact CA-OD1 3.31Å; I688-D690 WeakPolarHBondContact CB-OD1 3.4Å; I688-D690 PolarHBondContact O-N 3.06Å; D690-C692 VanDerWaalsContact C-N 3.33Å; D690-C692 PolarHBondContact O-N 3.05Å; D690-Y693 PolarHBondContact O-N 2.9Å; D690-T694 PolarHBondContact O-N 3.38Å; D690-T694 PolarHBondContact O-OG1 2.89Å; D690-W704 HydrophobicContact CB-CB 3.79Å; D690-W704 HydrophobicContact CB-CD2 3.81Å; D690-W704 HydrophobicContact CB-CE3 3.74Å; D690-W704 HydrophobicContact CB-CG 3.84Å |
| 691 | W | 94.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 176.1 | 178.3 | 77.3 | 0 | 0 | 0 | 112.1 | H333 P571 H651 V676 L679 L682 I688 P689 Y693 T694 E695 | H333-W691 VanDerWaalsContact CE1-CB 3.43Å; H333-W691 WeakPolarHBondContact CE1-CB 3.42Å; H333-W691 PolarHBondContact CE1-N 3.03Å; H333-W691 AromaticContact CG-CD1 3.94Å; H333-W691 AromaticContact ND1-CD1 3.88Å; H333-W691 WeakPolarHBondContact NE2-CA 3.1Å; H333-W691 PolarHBondContact NE2-N 3.3Å; P571-W691 HydrophobicContact CG-CZ2 4.32Å; H651-W691 AromaticContact ND1-CH2 3.83Å; H651-W691 AromaticContact ND1-CZ2 3.49Å; H651-W691 WeakPolarHBondContact ND1-CZ2 3.4Å; V676-W691 HydrophobicContact CB-CH2 4.43Å; V676-W691 HydrophobicContact CG1-CH2 4.22Å; V676-W691 HydrophobicContact CG1-CZ3 4.04Å; V676-W691 HydrophobicContact CG2-CH2 4.05Å; V676-W691 HydrophobicContact CG2-CZ3 4.05Å; L679-W691 HydrophobicContact CD2-CE3 4.47Å; L679-W691 HydrophobicContact CD2-CH2 4.07Å; L679-W691 HydrophobicContact CD2-CZ3 3.5Å; L679-W691 VanDerWaalsContact CD2-CZ3 3.5Å; L682-W691 HydrophobicContact CD2-CE3 3.96Å; L682-W691 HydrophobicContact CD2-CZ3 3.75Å; I688-W691 HydrophobicContact CB-CB 4.26Å; I688-W691 HydrophobicContact CD1-CB 3.68Å; I688-W691 HydrophobicContact CD1-CG 3.94Å; I688-W691 HydrophobicContact CG1-CB 4.16Å; I688-W691 VanDerWaalsContact O-CB 3.31Å; I688-W691 WeakPolarHBondContact O-CB 3.36Å; I688-W691 PolarHBondContact O-N 3.01Å; I688-W691 VanDerWaalsContact O-N 3.16Å; P689-W691 PolarHBondContact O-N 3.26Å; P689-W691 VanDerWaalsContact O-N 3.15Å; W691-Y693 VanDerWaalsContact C-N 3.29Å; W691-Y693 PolarHBondContact O-N 2.94Å; W691-T694 PolarHBondContact O-N 2.78Å; W691-E695 HydrophobicContact CD2-CG 3.9Å; W691-E695 HydrophobicContact CG-CG 4.11Å; W691-E695 HydrophobicContact CZ2-CB 4.49Å; W691-E695 HydrophobicContact CZ2-CG 3.71Å; W691-E695 PolarHBondContact NE1-OE1 3.35Å; W691-E695 WeakPolarHBondContact O-CB 3.29Å; W691-E695 VanDerWaalsContact O-CG 3.29Å; W691-E695 WeakPolarHBondContact O-CG 3.37Å; W691-E695 PolarHBondContact O-N 2.96Å |
| 692 | C | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | L682 I683 P689 D690 S696 L718 | L682-C692 VanDerWaalsContact CD2-SG 3.59Å; I683-C692 HydrophobicContact CG2-CB 3.36Å; P689-C692 WeakPolarHBondContact O-CB 3.22Å; P689-C692 PolarHBondContact O-N 3.33Å; D690-C692 VanDerWaalsContact C-N 3.33Å; D690-C692 PolarHBondContact O-N 3.05Å; C692-S696 WeakPolarHBondContact O-CB 3.2Å; C692-S696 PolarHBondContact O-N 2.93Å; C692-S696 PolarHBondContact O-OG 3.15Å; C692-S696 VanDerWaalsContact O-OG 3.11Å; C692-L718 HydrophobicContact CB-CD2 3.99Å |
| 693 | Y | 95.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -45.8 | 179.3 | -64.9 | -86.6 | 0 | 0 | 0 | 111.4 | I683 P689 D690 W691 G697 L698 A699 W704 Y708 P710 | I683-Y693 HydrophobicContact CB-CE2 4.22Å; I683-Y693 HydrophobicContact CG2-CD2 4.34Å; I683-Y693 HydrophobicContact CG2-CE2 3.71Å; P689-Y693 VanDerWaalsContact O-CD2 3.24Å; P689-Y693 WeakPolarHBondContact O-CD2 3.33Å; D690-Y693 PolarHBondContact O-N 2.9Å; W691-Y693 VanDerWaalsContact C-N 3.29Å; W691-Y693 PolarHBondContact O-N 2.94Å; Y693-G697 PolarHBondContact O-N 3.2Å; Y693-L698 HydrophobicContact CD1-CB 4.17Å; Y693-L698 HydrophobicContact CD1-CD1 4.37Å; Y693-L698 WeakPolarHBondContact O-CA 3.34Å; Y693-L698 WeakPolarHBondContact O-CB 3.43Å; Y693-L698 PolarHBondContact O-N 3.21Å; Y693-A699 PolarHBondContact O-N 3.18Å; Y693-W704 AromaticContact CD1-NE1 3.99Å; Y693-W704 AromaticContact CD2-CE2 3.62Å; Y693-W704 AromaticContact CD2-CZ2 3.82Å; Y693-W704 HydrophobicContact CD2-CZ2 3.82Å; Y693-W704 AromaticContact CD2-NE1 3.29Å; Y693-W704 VanDerWaalsContact CD2-NE1 3.29Å; Y693-W704 AromaticContact CE2-CE2 3.73Å; Y693-W704 HydrophobicContact CE2-CH2 4.41Å; Y693-W704 AromaticContact CE2-CZ2 3.43Å; Y693-W704 HydrophobicContact CE2-CZ2 3.43Å; Y693-W704 VanDerWaalsContact CE2-CZ2 3.43Å; Y693-W704 AromaticContact CE2-NE1 3.7Å; Y693-W704 AromaticContact CG-NE1 3.46Å; Y693-Y708 HydrophobicContact CD1-CD1 4.11Å; Y693-Y708 HydrophobicContact CD1-CE1 4.15Å; Y693-Y708 AromaticContact CE1-CD1 3.53Å; Y693-Y708 HydrophobicContact CE1-CD1 3.53Å; Y693-Y708 AromaticContact CE1-CE1 3.69Å; Y693-Y708 HydrophobicContact CE1-CE1 3.69Å; Y693-Y708 AromaticContact CZ-CD1 3.96Å; Y693-P710 HydrophobicContact CE1-CB 4.27Å; Y693-P710 WeakPolarHBondContact OH-CD 3.48Å |
| 694 | T | 95.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.7 | -57.5 | 177 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | G331 I613 D690 W691 S696 G697 | G331-T694 VanDerWaalsContact C-CG2 3.41Å; G331-T694 VanDerWaalsContact O-CG2 3.3Å; G331-T694 WeakPolarHBondContact O-CG2 3.24Å; I613-T694 HydrophobicContact CD1-CG2 3.87Å; I613-T694 WeakPolarHBondContact CG2-O 3.33Å; D690-T694 PolarHBondContact O-N 3.38Å; D690-T694 PolarHBondContact O-OG1 2.89Å; W691-T694 PolarHBondContact O-N 2.78Å; T694-S696 VanDerWaalsContact C-N 3.29Å; T694-S696 PolarHBondContact O-N 2.88Å; T694-G697 PolarHBondContact O-N 3.34Å |
| 695 | E | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -33.9 | -175.1 | -61.7 | -50.4 | 156.2 | 0 | 0 | 112.6 | P571 H572 G614 I616 W691 G697 | P571-E695 HydrophobicContact CG-CG 4.03Å; P571-E695 WeakPolarHBondContact CG-OE1 3.12Å; P571-E695 VanDerWaalsContact CG-OE2 3.3Å; P571-E695 WeakPolarHBondContact CG-OE2 3.44Å; H572-E695 IonicContact CD2-OE1 3.28Å; H572-E695 PolarHBondContact CD2-OE1 3.17Å; H572-E695 IonicContact CE1-OE2 3.61Å; H572-E695 IonicContact NE2-OE1 3.11Å; H572-E695 PolarHBondContact NE2-OE1 3.01Å; H572-E695 IonicContact NE2-OE2 3.38Å; H572-E695 PolarHBondContact NE2-OE2 2.9Å; H572-E695 VanDerWaalsContact NE2-OE2 3.17Å; G614-E695 WeakPolarHBondContact CA-O 3.5Å; G614-E695 PolarHBondContact N-O 2.88Å; I616-E695 HydrophobicContact CD1-CB 3.71Å; I616-E695 HydrophobicContact CG1-CB 4.22Å; I616-E695 HydrophobicContact CG2-CB 3.91Å; W691-E695 HydrophobicContact CD2-CG 3.9Å; W691-E695 HydrophobicContact CG-CG 4.11Å; W691-E695 HydrophobicContact CZ2-CB 4.49Å; W691-E695 HydrophobicContact CZ2-CG 3.71Å; W691-E695 PolarHBondContact NE1-OE1 3.35Å; W691-E695 WeakPolarHBondContact O-CB 3.29Å; W691-E695 VanDerWaalsContact O-CG 3.29Å; W691-E695 WeakPolarHBondContact O-CG 3.37Å; W691-E695 PolarHBondContact O-N 2.96Å; E695-G697 PolarHBondContact O-N 2.96Å |
| 696 | S | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 1.6 | 173.2 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | C692 T694 L698 R717 L718 Q721 | C692-S696 WeakPolarHBondContact O-CB 3.2Å; C692-S696 PolarHBondContact O-N 2.93Å; C692-S696 PolarHBondContact O-OG 3.15Å; C692-S696 VanDerWaalsContact O-OG 3.11Å; T694-S696 VanDerWaalsContact C-N 3.29Å; T694-S696 PolarHBondContact O-N 2.88Å; S696-L698 VanDerWaalsContact C-N 3.28Å; S696-L698 PolarHBondContact O-N 3.07Å; S696-R717 WeakPolarHBondContact O-CD 3.34Å; S696-R717 PolarHBondContact O-NE 3.41Å; S696-R717 PolarHBondContact O-NH1 2.74Å; S696-R717 PolarHBondContact O-NH2 3.1Å; S696-L718 WeakPolarHBondContact OG-CD2 3.31Å; S696-Q721 VanDerWaalsContact CA-OE1 3.26Å; S696-Q721 PolarHBondContact OG-OE1 3.25Å |
| 697 | G | 95.9 | Very high | 92 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y693 T694 E695 R717 | Y693-G697 PolarHBondContact O-N 3.2Å; T694-G697 PolarHBondContact O-N 3.34Å; E695-G697 PolarHBondContact O-N 2.96Å; G697-R717 PolarHBondContact O-NH1 3.08Å; G697-R717 VanDerWaalsContact O-NH1 3.1Å |
| 698 | L | 96 | Very high | 92 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | trans | -110.1 | -3.9 | 176.9 | -62.5 | 177.7 | 0 | 0 | 0 | 112.3 | Y693 S696 E714 L718 | Y693-L698 HydrophobicContact CD1-CB 4.17Å; Y693-L698 HydrophobicContact CD1-CD1 4.37Å; Y693-L698 WeakPolarHBondContact O-CA 3.34Å; Y693-L698 WeakPolarHBondContact O-CB 3.43Å; Y693-L698 PolarHBondContact O-N 3.21Å; S696-L698 VanDerWaalsContact C-N 3.28Å; S696-L698 PolarHBondContact O-N 3.07Å; L698-E714 HydrophobicContact CD1-CB 3.9Å; L698-E714 HydrophobicContact CD1-CG 4.07Å; L698-E714 HydrophobicContact CD2-CG 3.91Å; L698-L718 HydrophobicContact CD1-CD1 4.46Å; L698-L718 HydrophobicContact CD1-CD2 4.26Å; L698-L718 HydrophobicContact CD1-CG 4.04Å | ||
| 699 | A | 91.2 | Very high | 92.1 | Very high | 17 Ų | 17 | 45 Ų | 45 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -102.5 | 145.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y693 W701 | Y693-A699 PolarHBondContact O-N 3.18Å; A699-W701 VanDerWaalsContact C-N 3.31Å; A699-W701 PolarHBondContact O-N 3.19Å |
| 700 | D | 86.3 | Confident | 92.2 | Very high | 144 Ų | 144 | 46.1 Ų | 46.1 | 77% | 0.77 | 26% | 0.262 | S | S | * | . | trans | -91.1 | 32.9 | -174.8 | -68.4 | -33.7 | 0 | 0 | 0 | 113.9 | C702 | D700-C702 PolarHBondContact O-N 3.43Å; D700-C702 VanDerWaalsContact O-N 3.08Å | ||
| 701 | W | 86.3 | Confident | 92.4 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 55.9 | 25.2 | -179.8 | -61.1 | 83.7 | 0 | 0 | 0 | 114.9 | P332 Q610 I613 A699 | P332-W701 HydrophobicContact CG-CH2 3.91Å; P332-W701 HydrophobicContact CG-CZ3 3.68Å; Q610-W701 HydrophobicContact CB-CH2 3.72Å; Q610-W701 HydrophobicContact CB-CZ2 4.47Å; Q610-W701 HydrophobicContact CB-CZ3 4.46Å; Q610-W701 HydrophobicContact CG-CH2 3.41Å; Q610-W701 VanDerWaalsContact CG-CH2 3.41Å; Q610-W701 HydrophobicContact CG-CZ2 4.47Å; Q610-W701 HydrophobicContact CG-CZ3 3.65Å; I613-W701 HydrophobicContact CB-CH2 4.22Å; I613-W701 HydrophobicContact CB-CZ2 3.99Å; I613-W701 HydrophobicContact CG1-CH2 3.73Å; I613-W701 HydrophobicContact CG1-CZ2 4.01Å; I613-W701 HydrophobicContact CG2-CH2 4.36Å; I613-W701 HydrophobicContact CG2-CZ2 3.78Å; A699-W701 VanDerWaalsContact C-N 3.31Å; A699-W701 PolarHBondContact O-N 3.19Å |
| 702 | C | 86.2 | Confident | 92.5 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -126.2 | -179.4 | 177.1 | 63.6 | 0 | 0 | 0 | 0 | 110 | G330 D700 W704 | G330-C702 WeakPolarHBondContact CA-O 3.42Å; D700-C702 PolarHBondContact O-N 3.43Å; D700-C702 VanDerWaalsContact O-N 3.08Å; C702-W704 PolarHBondContact O-N 2.71Å |
| 703 | E | 86.9 | Confident | 92.6 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 123 | 172.2 | -171.8 | -179.9 | 169.7 | 0 | 0 | 110.8 | Q274 P287 V329 | Q274-E703 PolarHBondContact NE2-OE1 3.02Å; P287-E703 HydrophobicContact CG-CG 3.87Å; P287-E703 VanDerWaalsContact CG-OE1 3.27Å; P287-E703 WeakPolarHBondContact CG-OE1 3.42Å; P287-E703 WeakPolarHBondContact CG-OE2 3.47Å; V329-E703 HydrophobicContact CG1-CB 3.71Å; V329-E703 HydrophobicContact CG1-CG 4.04Å |
| 704 | W | 89.3 | Confident | 92.7 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 130.2 | 179.6 | 177.2 | 79.5 | 0 | 0 | 0 | 110.6 | Y276 P689 D690 Y693 C702 L706 | Y276-W704 WeakPolarHBondContact OH-CH2 3.46Å; Y276-W704 WeakPolarHBondContact OH-CZ3 3.48Å; P689-W704 HydrophobicContact CB-CH2 3.94Å; P689-W704 HydrophobicContact CB-CZ3 4.29Å; P689-W704 HydrophobicContact CG-CH2 3.72Å; P689-W704 HydrophobicContact CG-CZ3 3.64Å; D690-W704 HydrophobicContact CB-CB 3.79Å; D690-W704 HydrophobicContact CB-CD2 3.81Å; D690-W704 HydrophobicContact CB-CE3 3.74Å; D690-W704 HydrophobicContact CB-CG 3.84Å; Y693-W704 AromaticContact CD1-NE1 3.99Å; Y693-W704 AromaticContact CD2-CE2 3.62Å; Y693-W704 AromaticContact CD2-CZ2 3.82Å; Y693-W704 HydrophobicContact CD2-CZ2 3.82Å; Y693-W704 AromaticContact CD2-NE1 3.29Å; Y693-W704 VanDerWaalsContact CD2-NE1 3.29Å; Y693-W704 AromaticContact CE2-CE2 3.73Å; Y693-W704 HydrophobicContact CE2-CH2 4.41Å; Y693-W704 AromaticContact CE2-CZ2 3.43Å; Y693-W704 HydrophobicContact CE2-CZ2 3.43Å; Y693-W704 VanDerWaalsContact CE2-CZ2 3.43Å; Y693-W704 AromaticContact CE2-NE1 3.7Å; Y693-W704 AromaticContact CG-NE1 3.46Å; C702-W704 PolarHBondContact O-N 2.71Å; W704-L706 HydrophobicContact CE3-CD2 4.16Å; W704-L706 HydrophobicContact CZ3-CD2 3.95Å; W704-L706 PolarHBondContact O-N 2.8Å |
| 705 | P | 90.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 116.9 | -178.9 | 18.4 | -18.6 | 0 | 0 | 0 | 111.5 | G707 Y708 | P705-G707 PolarHBondContact O-N 3.42Å; P705-Y708 HydrophobicContact CG-CD2 4.23Å; P705-Y708 HydrophobicContact CG-CG 4.46Å; P705-Y708 WeakPolarHBondContact O-CB 3.4Å; P705-Y708 PolarHBondContact O-N 2.77Å |
| 706 | L | 87.3 | Confident | 92.9 | Very high | 24 Ų | 24 | 69.4 Ų | 69.4 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.4 | -176.9 | -68.9 | -171.2 | 0 | 0 | 0 | 115.8 | Q274 A275 Y276 L278 W704 | Q274-L706 HydrophobicContact CB-CD1 3.41Å; Q274-L706 VanDerWaalsContact CB-CD1 3.41Å; Q274-L706 HydrophobicContact CG-CD1 4.31Å; Q274-L706 VanDerWaalsContact OE1-CG 3.24Å; A275-L706 HydrophobicContact CB-CD1 4.29Å; Y276-L706 HydrophobicContact CD1-CB 4.47Å; Y276-L706 HydrophobicContact CD1-CD1 4.1Å; Y276-L706 HydrophobicContact CD2-CD2 4.4Å; Y276-L706 HydrophobicContact CE1-CB 3.68Å; Y276-L706 HydrophobicContact CE1-CD1 4.05Å; Y276-L706 HydrophobicContact CE1-CD2 4.14Å; Y276-L706 HydrophobicContact CE1-CG 4.18Å; Y276-L706 HydrophobicContact CE2-CD2 3.76Å; Y276-L706 HydrophobicContact CG-CD1 4.43Å; Y276-L706 WeakPolarHBondContact O-CD1 3.41Å; Y276-L706 PolarHBondContact OH-O 3.35Å; L278-L706 HydrophobicContact CD1-CD2 3.93Å; L278-L706 HydrophobicContact CD2-CD2 4.04Å; L278-L706 HydrophobicContact CG-CD2 3.91Å; W704-L706 HydrophobicContact CE3-CD2 4.16Å; W704-L706 HydrophobicContact CZ3-CD2 3.95Å; W704-L706 PolarHBondContact O-N 2.8Å |
| 707 | G | 90 | Very high | 93 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 74% | 0.742 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 10.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | P705 L709 | P705-G707 PolarHBondContact O-N 3.42Å; G707-L709 PolarHBondContact O-N 2.95Å |
| 708 | Y | 91.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | trans | -67.2 | 130 | -177.8 | -167.5 | -103.6 | 0 | 0 | 0 | 111.5 | Y693 P705 E714 | Y693-Y708 HydrophobicContact CD1-CD1 4.11Å; Y693-Y708 HydrophobicContact CD1-CE1 4.15Å; Y693-Y708 AromaticContact CE1-CD1 3.53Å; Y693-Y708 HydrophobicContact CE1-CD1 3.53Å; Y693-Y708 AromaticContact CE1-CE1 3.69Å; Y693-Y708 HydrophobicContact CE1-CE1 3.69Å; Y693-Y708 AromaticContact CZ-CD1 3.96Å; P705-Y708 HydrophobicContact CG-CD2 4.23Å; P705-Y708 HydrophobicContact CG-CG 4.46Å; P705-Y708 WeakPolarHBondContact O-CB 3.4Å; P705-Y708 PolarHBondContact O-N 2.77Å; Y708-E714 WeakPolarHBondContact CE1-OE2 3.35Å; Y708-E714 PolarHBondContact OH-OE1 3.46Å; Y708-E714 PolarHBondContact OH-OE2 2.72Å; Y708-E714 VanDerWaalsContact OH-OE2 3.08Å | ||
| 709 | L | 93.6 | Very high | 93.2 | Very high | 141 Ų | 141 | 72.2 Ų | 72.2 | 74% | 0.738 | 39% | 0.389 | S | S | * | . | trans | -111.1 | 131 | 173.8 | -64.6 | 177.5 | 0 | 0 | 0 | 109 | G707 | G707-L709 PolarHBondContact O-N 2.95Š| ||
| 710 | P | 95.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | trans | -71.9 | 141.2 | -176.9 | 33.3 | -37.5 | 0 | 0 | 0 | 111.1 | I683 Y693 E714 L715 | I683-P710 HydrophobicContact CD1-CB 4.41Å; I683-P710 HydrophobicContact CD1-CG 3.63Å; Y693-P710 HydrophobicContact CE1-CB 4.27Å; Y693-P710 WeakPolarHBondContact OH-CD 3.48Å; P710-E714 WeakPolarHBondContact CA-OE2 3.42Å; P710-E714 HydrophobicContact CB-CB 4.06Å; P710-L715 HydrophobicContact CB-CD2 4.03Å; P710-L715 HydrophobicContact CB-CG 4.07Å; P710-L715 HydrophobicContact CG-CD2 3.59Å; P710-L715 HydrophobicContact CG-CG 3.99Å | ||
| 711 | N | 97.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | trans | -82.5 | 173.8 | 169.4 | 68 | 61.4 | 0 | 0 | 0 | 112 | N713 E714 L715 | N711-N713 VanDerWaalsContact C-N 3.3Å; N711-N713 PolarHBondContact O-N 2.67Å; N711-N713 WeakPolarHBondContact OD1-CA 3.31Å; N711-N713 WeakPolarHBondContact OD1-CB 3.47Å; N711-N713 PolarHBondContact OD1-N 3.3Å; N711-E714 PolarHBondContact N-OE2 2.85Å; N711-E714 PolarHBondContact ND2-OE2 3.1Å; N711-E714 PolarHBondContact O-N 2.8Å; N711-E714 VanDerWaalsContact O-N 3.16Å; N711-E714 PolarHBondContact OD1-N 2.8Å; N711-E714 VanDerWaalsContact OD1-N 3.08Å; N711-L715 WeakPolarHBondContact O-CG 3.24Å; N711-L715 PolarHBondContact O-N 2.81Å | ||
| 712 | E | 97.7 | Very high | 94.7 | Very high | 164 Ų | 164 | 62.9 Ų | 62.9 | 77% | 0.766 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.1 | -36.3 | -177.5 | -65.5 | -175.9 | 177 | 0 | 0 | 114 | T716 | E712-T716 WeakPolarHBondContact O-CB 3.14Å; E712-T716 PolarHBondContact O-N 2.79Å; E712-T716 PolarHBondContact O-OG1 2.83Å |
| 713 | N | 98.1 | Very high | 95.3 | Very high | 132 Ų | 132 | 59.7 Ų | 59.7 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.3 | -37.8 | 179 | -67.4 | -33.6 | 0 | 0 | 0 | 111 | N711 T716 R717 | N711-N713 VanDerWaalsContact C-N 3.3Å; N711-N713 PolarHBondContact O-N 2.67Å; N711-N713 WeakPolarHBondContact OD1-CA 3.31Å; N711-N713 WeakPolarHBondContact OD1-CB 3.47Å; N711-N713 PolarHBondContact OD1-N 3.3Å; N713-T716 WeakPolarHBondContact O-CB 3.35Å; N713-T716 PolarHBondContact O-N 2.96Å; N713-R717 PolarHBondContact O-N 2.93Å |
| 714 | E | 97.8 | Very high | 95.9 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 176.7 | -67.9 | 174.4 | 146.6 | 0 | 0 | 111.5 | L698 Y708 P710 N711 T716 R717 L718 | L698-E714 HydrophobicContact CD1-CB 3.9Å; L698-E714 HydrophobicContact CD1-CG 4.07Å; L698-E714 HydrophobicContact CD2-CG 3.91Å; Y708-E714 WeakPolarHBondContact CE1-OE2 3.35Å; Y708-E714 PolarHBondContact OH-OE1 3.46Å; Y708-E714 PolarHBondContact OH-OE2 2.72Å; Y708-E714 VanDerWaalsContact OH-OE2 3.08Å; P710-E714 WeakPolarHBondContact CA-OE2 3.42Å; P710-E714 HydrophobicContact CB-CB 4.06Å; N711-E714 PolarHBondContact N-OE2 2.85Å; N711-E714 PolarHBondContact ND2-OE2 3.1Å; N711-E714 PolarHBondContact O-N 2.8Å; N711-E714 VanDerWaalsContact O-N 3.16Å; N711-E714 PolarHBondContact OD1-N 2.8Å; N711-E714 VanDerWaalsContact OD1-N 3.08Å; E714-T716 PolarHBondContact O-N 3.03Å; E714-R717 WeakPolarHBondContact O-CB 3.49Å; E714-R717 PolarHBondContact O-N 2.89Å; E714-R717 VanDerWaalsContact O-N 3.07Å; E714-L718 WeakPolarHBondContact O-CB 3.41Å; E714-L718 VanDerWaalsContact O-CG 3.31Å; E714-L718 WeakPolarHBondContact O-CG 3.21Å; E714-L718 PolarHBondContact O-N 3.37Å |
| 715 | L | 98.4 | Very high | 96.3 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 172.1 | -70.4 | 174.1 | 0 | 0 | 0 | 111.3 | V680 I683 P710 N711 S719 | V680-L715 HydrophobicContact CG1-CD2 3.89Å; V680-L715 WeakPolarHBondContact CG2-O 3.41Å; I683-L715 HydrophobicContact CD1-CD2 4.32Å; P710-L715 HydrophobicContact CB-CD2 4.03Å; P710-L715 HydrophobicContact CB-CG 4.07Å; P710-L715 HydrophobicContact CG-CD2 3.59Å; P710-L715 HydrophobicContact CG-CG 3.99Å; N711-L715 WeakPolarHBondContact O-CG 3.24Å; N711-L715 PolarHBondContact O-N 2.81Å; L715-S719 VanDerWaalsContact O-CB 3.29Å; L715-S719 WeakPolarHBondContact O-CB 3.47Å; L715-S719 PolarHBondContact O-N 3.45Å |
| 716 | T | 98.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 47% | 0.466 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.3 | -62 | 0 | 0 | 0 | 0 | 111.5 | E712 N713 E714 S719 N720 | E712-T716 WeakPolarHBondContact O-CB 3.14Å; E712-T716 PolarHBondContact O-N 2.79Å; E712-T716 PolarHBondContact O-OG1 2.83Å; N713-T716 WeakPolarHBondContact O-CB 3.35Å; N713-T716 PolarHBondContact O-N 2.96Å; E714-T716 PolarHBondContact O-N 3.03Å; T716-S719 PolarHBondContact O-N 3.36Å; T716-N720 WeakPolarHBondContact O-CB 3.49Å; T716-N720 PolarHBondContact O-N 2.96Å; T716-N720 PolarHBondContact O-ND2 3.03Å |
| 717 | R | 98.4 | Very high | 97.2 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.6 | -50.1 | 177.3 | -172.9 | 171.4 | -168.4 | 176.3 | -7.2 | 112.1 | G614 S696 G697 N713 E714 S719 N720 Q721 | G614-R717 PolarHBondContact O-NH2 3.14Å; G614-R717 VanDerWaalsContact O-NH2 3.11Å; S696-R717 WeakPolarHBondContact O-CD 3.34Å; S696-R717 PolarHBondContact O-NE 3.41Å; S696-R717 PolarHBondContact O-NH1 2.74Å; S696-R717 PolarHBondContact O-NH2 3.1Å; G697-R717 PolarHBondContact O-NH1 3.08Å; G697-R717 VanDerWaalsContact O-NH1 3.1Å; N713-R717 PolarHBondContact O-N 2.93Å; E714-R717 WeakPolarHBondContact O-CB 3.49Å; E714-R717 PolarHBondContact O-N 2.89Å; E714-R717 VanDerWaalsContact O-N 3.07Å; R717-S719 VanDerWaalsContact C-N 3.28Å; R717-S719 PolarHBondContact O-N 3.27Å; R717-N720 PolarHBondContact O-N 2.83Å; R717-Q721 PolarHBondContact O-N 2.94Å; R717-Q721 VanDerWaalsContact O-N 3.12Å |
| 718 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56 | -43.8 | 175.7 | -69.5 | 165.5 | 0 | 0 | 0 | 111 | L679 V680 I683 C692 S696 L698 E714 Q721 S722 | L679-L718 HydrophobicContact CB-CB 3.96Å; L679-L718 HydrophobicContact CB-CD2 3.82Å; L679-L718 HydrophobicContact CD1-CD2 4.29Å; V680-L718 HydrophobicContact CG2-CB 3.71Å; I683-L718 HydrophobicContact CD1-CD1 4.13Å; I683-L718 HydrophobicContact CG2-CD1 4.25Å; C692-L718 HydrophobicContact CB-CD2 3.99Å; S696-L718 WeakPolarHBondContact OG-CD2 3.31Å; L698-L718 HydrophobicContact CD1-CD1 4.46Å; L698-L718 HydrophobicContact CD1-CD2 4.26Å; L698-L718 HydrophobicContact CD1-CG 4.04Å; E714-L718 WeakPolarHBondContact O-CB 3.41Å; E714-L718 VanDerWaalsContact O-CG 3.31Å; E714-L718 WeakPolarHBondContact O-CG 3.21Å; E714-L718 PolarHBondContact O-N 3.37Å; L718-Q721 PolarHBondContact O-N 2.81Å; L718-S722 PolarHBondContact O-N 3.17Å; L718-S722 PolarHBondContact O-OG 2.84Å |
| 719 | S | 98.5 | Very high | 97.8 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | L715 T716 R717 Q721 S722 K725 | L715-S719 VanDerWaalsContact O-CB 3.29Å; L715-S719 WeakPolarHBondContact O-CB 3.47Å; L715-S719 PolarHBondContact O-N 3.45Å; T716-S719 PolarHBondContact O-N 3.36Å; R717-S719 VanDerWaalsContact C-N 3.28Å; R717-S719 PolarHBondContact O-N 3.27Å; S719-Q721 VanDerWaalsContact C-N 3.28Å; S719-Q721 PolarHBondContact O-N 2.88Å; S719-S722 WeakPolarHBondContact O-CB 3.45Å; S719-S722 PolarHBondContact O-N 3.35Å; S719-S722 VanDerWaalsContact O-N 3.15Å; S719-K725 VanDerWaalsContact O-CB 3.28Å; S719-K725 WeakPolarHBondContact O-CB 3.47Å |
| 720 | N | 98.5 | Very high | 97.9 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -30.8 | -176.9 | -73.6 | -22.3 | 0 | 0 | 0 | 113 | T716 R717 S722 Y726 | T716-N720 WeakPolarHBondContact O-CB 3.49Å; T716-N720 PolarHBondContact O-N 2.96Å; T716-N720 PolarHBondContact O-ND2 3.03Å; R717-N720 PolarHBondContact O-N 2.83Å; N720-S722 VanDerWaalsContact C-N 3.35Å; N720-Y726 WeakPolarHBondContact O-CE2 3.29Å; N720-Y726 PolarHBondContact O-OH 2.97Å; N720-Y726 VanDerWaalsContact O-OH 3.08Å |
| 721 | Q | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -85.5 | -6.7 | 176.9 | -68.4 | 177.3 | -43.1 | 0 | 0 | 113.6 | G614 I616 S617 F654 H658 L679 S696 R717 L718 S719 | G614-Q721 PolarHBondContact O-NE2 3.29Å; I616-Q721 HydrophobicContact CD1-CB 4.49Å; I616-Q721 HydrophobicContact CG1-CB 4.39Å; I616-Q721 HydrophobicContact CG1-CG 4.49Å; I616-Q721 PolarHBondContact O-NE2 2.78Å; S617-Q721 WeakPolarHBondContact CB-O 3.32Å; S617-Q721 WeakPolarHBondContact OG-CA 3Å; F654-Q721 WeakPolarHBondContact CE2-O 3.46Å; F654-Q721 WeakPolarHBondContact CZ-O 3.41Å; H658-Q721 PolarHBondContact CE1-O 2.81Å; H658-Q721 VanDerWaalsContact CE1-O 3.26Å; H658-Q721 PolarHBondContact NE2-O 3.06Å; L679-Q721 HydrophobicContact CD1-CB 3.85Å; S696-Q721 VanDerWaalsContact CA-OE1 3.26Å; S696-Q721 PolarHBondContact OG-OE1 3.25Å; R717-Q721 PolarHBondContact O-N 2.94Å; R717-Q721 VanDerWaalsContact O-N 3.12Å; L718-Q721 PolarHBondContact O-N 2.81Å; S719-Q721 VanDerWaalsContact C-N 3.28Å; S719-Q721 PolarHBondContact O-N 2.88Å |
| 722 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -80.9 | 135 | -176.3 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | H678 L679 L718 S719 N720 L724 K725 Y726 | H678-S722 WeakPolarHBondContact CA-OG 3.19Å; L679-S722 PolarHBondContact N-OG 3.48Å; L718-S722 PolarHBondContact O-N 3.17Å; L718-S722 PolarHBondContact O-OG 2.84Å; S719-S722 WeakPolarHBondContact O-CB 3.45Å; S719-S722 PolarHBondContact O-N 3.35Å; S719-S722 VanDerWaalsContact O-N 3.15Å; N720-S722 VanDerWaalsContact C-N 3.35Å; S722-L724 PolarHBondContact O-N 3.07Å; S722-L724 VanDerWaalsContact O-N 3.15Å; S722-K725 VanDerWaalsContact O-CB 3.24Å; S722-K725 WeakPolarHBondContact O-CB 3.42Å; S722-K725 PolarHBondContact O-N 2.84Å; S722-Y726 WeakPolarHBondContact O-CD2 3.38Å |
| 723 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -55.8 | -34.4 | 174.7 | -22.4 | 26.6 | 0 | 0 | 0 | 112.9 | F654 L657 H658 T677 K725 Y726 F754 | F654-P723 HydrophobicContact CB-CG 4.46Å; F654-P723 HydrophobicContact CD2-CG 3.57Å; F654-P723 VanDerWaalsContact CE2-CD 3.44Å; F654-P723 HydrophobicContact CE2-CG 4.07Å; F654-P723 HydrophobicContact CG-CG 4.04Å; L657-P723 HydrophobicContact CB-CB 3.55Å; L657-P723 HydrophobicContact CB-CG 4.02Å; L657-P723 HydrophobicContact CD1-CB 4.4Å; H658-P723 WeakPolarHBondContact NE2-CD 3.2Å; T677-P723 VanDerWaalsContact O-CD 3.28Å; T677-P723 WeakPolarHBondContact O-CD 3.5Å; P723-K725 PolarHBondContact O-N 2.65Å; P723-Y726 PolarHBondContact O-N 2.97Å; P723-F754 HydrophobicContact CB-CE2 4.41Å |
| 724 | L | 98.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -59.2 | -28.2 | 179.5 | -173.9 | 65 | 0 | 0 | 0 | 113.3 | T677 H678 S722 Y726 L727 F754 K757 | T677-L724 VanDerWaalsContact O-CB 3.28Å; T677-L724 WeakPolarHBondContact O-CB 3.43Å; T677-L724 PolarHBondContact O-N 3.32Å; H678-L724 HydrophobicContact CB-CB 4.04Å; H678-L724 HydrophobicContact CB-CD2 3.83Å; S722-L724 PolarHBondContact O-N 3.07Å; S722-L724 VanDerWaalsContact O-N 3.15Å; L724-Y726 PolarHBondContact O-N 2.9Å; L724-L727 HydrophobicContact CD1-CB 4.45Å; L724-L727 HydrophobicContact CD1-CD2 3.92Å; L724-L727 PolarHBondContact O-N 2.83Å; L724-F754 HydrophobicContact CB-CD2 4.33Å; L724-F754 HydrophobicContact CD1-CD2 3.75Å; L724-F754 HydrophobicContact CD1-CE2 4.26Å; L724-K757 HydrophobicContact CD1-CD 3.61Å; L724-K757 HydrophobicContact CD2-CD 4.21Å; L724-K757 HydrophobicContact CG-CD 4.39Å |
| 725 | K | 98 | Very high | 98.2 | Very high | 119 Ų | 119 | 46.7 Ų | 46.7 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -62.1 | -29.8 | 176 | 178.6 | 62.7 | 173.1 | -172.9 | 0 | 112.8 | S719 S722 P723 | S719-K725 VanDerWaalsContact O-CB 3.28Å; S719-K725 WeakPolarHBondContact O-CB 3.47Å; S722-K725 VanDerWaalsContact O-CB 3.24Å; S722-K725 WeakPolarHBondContact O-CB 3.42Å; S722-K725 PolarHBondContact O-N 2.84Å; P723-K725 PolarHBondContact O-N 2.65Å |
| 726 | Y | 98 | Very high | 98.2 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -98.8 | 3.4 | -176.2 | -57.5 | -82.6 | 0 | 0 | 0 | 112.9 | H658 R662 N720 S722 P723 L724 D728 | H658-Y726 AromaticContact CE1-CD2 3.68Å; H658-Y726 AromaticContact CE1-CE2 3.62Å; H658-Y726 AromaticContact ND1-CD2 3.74Å; H658-Y726 AromaticContact ND1-CE2 3.95Å; R662-Y726 HydrophobicContact CG-CD1 4.12Å; R662-Y726 HydrophobicContact CG-CG 4.12Å; N720-Y726 WeakPolarHBondContact O-CE2 3.29Å; N720-Y726 PolarHBondContact O-OH 2.97Å; N720-Y726 VanDerWaalsContact O-OH 3.08Å; S722-Y726 WeakPolarHBondContact O-CD2 3.38Å; P723-Y726 PolarHBondContact O-N 2.97Å; L724-Y726 PolarHBondContact O-N 2.9Å; Y726-D728 PolarHBondContact O-N 3.47Å |
| 727 | L | 98.2 | Very high | 98.2 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.089 | 20% | 0.199 | C | C | . | . | trans | -79.9 | 111.3 | 173.4 | 176.8 | 62.2 | 0 | 0 | 0 | 110.2 | L724 W731 F754 K757 L758 L761 | L724-L727 HydrophobicContact CD1-CB 4.45Å; L724-L727 HydrophobicContact CD1-CD2 3.92Å; L724-L727 PolarHBondContact O-N 2.83Å; L727-W731 HydrophobicContact CD1-CB 4.16Å; L727-W731 HydrophobicContact CD1-CD2 4.05Å; L727-W731 HydrophobicContact CD1-CE3 3.78Å; L727-W731 HydrophobicContact CD1-CG 4.22Å; L727-F754 HydrophobicContact CB-CE2 4.23Å; L727-F754 HydrophobicContact CB-CZ 4.31Å; L727-F754 HydrophobicContact CD1-CZ 4.26Å; L727-F754 HydrophobicContact CD2-CD2 4.35Å; L727-F754 HydrophobicContact CD2-CE1 4.3Å; L727-F754 HydrophobicContact CD2-CE2 4.14Å; L727-F754 HydrophobicContact CD2-CZ 4.1Å; L727-F754 HydrophobicContact CG-CZ 4.46Å; L727-K757 HydrophobicContact CD2-CB 3.78Å; L727-L758 HydrophobicContact CD1-CB 4.21Å; L727-L758 HydrophobicContact CD1-CD1 3.81Å; L727-L758 HydrophobicContact CD2-CB 4.22Å; L727-L761 HydrophobicContact CD2-CD1 4.45Å; L727-L761 HydrophobicContact CG-CD1 4.09Å | ||
| 728 | D | 97.1 | Very high | 98.2 | Very high | 75 Ų | 75 | 36 Ų | 36 | 40% | 0.401 | 18% | 0.183 | S | C | . | . | trans | -135.4 | -178.4 | 176.6 | 69.3 | 25.8 | 0 | 0 | 0 | 112.4 | Y726 T730 W731 C762 | Y726-D728 PolarHBondContact O-N 3.47Å; D728-T730 PolarHBondContact O-N 2.88Å; D728-T730 VanDerWaalsContact OD1-CA 3.31Å; D728-T730 WeakPolarHBondContact OD1-CA 3.5Å; D728-T730 WeakPolarHBondContact OD1-CB 3.28Å; D728-T730 WeakPolarHBondContact OD1-CG2 3.37Å; D728-T730 PolarHBondContact OD1-N 2.99Å; D728-T730 PolarHBondContact OD1-OG1 3.06Å; D728-W731 WeakPolarHBondContact O-CB 3.45Å; D728-W731 PolarHBondContact O-N 3.07Å; D728-C762 PolarHBondContact O-SG 2.88Å; D728-C762 VanDerWaalsContact O-SG 3.35Å | ||
| 729 | K | 97.6 | Very high | 98.2 | Very high | 166 Ų | 166 | 36 Ų | 36 | 72% | 0.722 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7 | -179.9 | -65.9 | -175.7 | 178.1 | 179.1 | 0 | 114.2 | L761 | K729-L761 HydrophobicContact CG-CB 4.49Å; K729-L761 HydrophobicContact CG-CD2 4.09Å |
| 730 | T | 96.4 | Very high | 98.1 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 45% | 0.448 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.4 | -179 | 86.2 | 0 | 0 | 0 | 0 | 112.7 | K664 D728 S732 | K664-T730 WeakPolarHBondContact CD-O 3.34Å; K664-T730 PolarHBondContact NZ-O 2.65Å; K664-T730 PolarHBondContact NZ-OG1 2.97Å; D728-T730 PolarHBondContact O-N 2.88Å; D728-T730 VanDerWaalsContact OD1-CA 3.31Å; D728-T730 WeakPolarHBondContact OD1-CA 3.5Å; D728-T730 WeakPolarHBondContact OD1-CB 3.28Å; D728-T730 WeakPolarHBondContact OD1-CG2 3.37Å; D728-T730 PolarHBondContact OD1-N 2.99Å; D728-T730 PolarHBondContact OD1-OG1 3.06Å; T730-S732 PolarHBondContact O-N 2.95Å |
| 731 | W | 97.8 | Very high | 98 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | trans | -57.3 | 131.4 | 172.9 | 180 | -69.3 | 0 | 0 | 0 | 110.7 | L657 A660 L727 D728 V733 L735 F754 L758 V765 | L657-W731 HydrophobicContact CD2-CH2 4.17Å; A660-W731 HydrophobicContact CB-CH2 3.41Å; A660-W731 VanDerWaalsContact CB-CH2 3.41Å; A660-W731 HydrophobicContact CB-CZ2 3.73Å; A660-W731 HydrophobicContact CB-CZ3 4.11Å; L727-W731 HydrophobicContact CD1-CB 4.16Å; L727-W731 HydrophobicContact CD1-CD2 4.05Å; L727-W731 HydrophobicContact CD1-CE3 3.78Å; L727-W731 HydrophobicContact CD1-CG 4.22Å; D728-W731 WeakPolarHBondContact O-CB 3.45Å; D728-W731 PolarHBondContact O-N 3.07Å; W731-V733 HydrophobicContact CZ2-CB 4.33Å; W731-V733 PolarHBondContact NE1-O 3.28Å; W731-L735 HydrophobicContact CZ2-CB 4.4Å; W731-L735 HydrophobicContact CZ2-CD2 4.34Å; W731-F754 HydrophobicContact CE3-CZ 4.47Å; W731-F754 HydrophobicContact CH2-CE1 4.1Å; W731-F754 AromaticContact CH2-CZ 3.99Å; W731-F754 HydrophobicContact CH2-CZ 3.99Å; W731-F754 HydrophobicContact CZ3-CE1 4.25Å; W731-F754 AromaticContact CZ3-CZ 3.76Å; W731-F754 HydrophobicContact CZ3-CZ 3.76Å; W731-L758 HydrophobicContact CB-CD1 4.11Å; W731-L758 HydrophobicContact CD2-CD1 4.04Å; W731-L758 HydrophobicContact CG-CD1 3.57Å; W731-L758 HydrophobicContact CZ2-CD2 4.46Å; W731-V765 WeakPolarHBondContact O-CG2 3.35Å | ||
| 732 | S | 97.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 45% | 0.448 | 19% | 0.189 | S | C | . | . | trans | -132.2 | -2 | -176.7 | 60 | 0 | 0 | 0 | 0 | 115 | T730 | T730-S732 PolarHBondContact O-N 2.95Š| ||
| 733 | V | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -87.2 | 120.8 | -173.6 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | A660 K664 Y667 A670 W731 L735 V765 | A660-V733 HydrophobicContact CB-CB 4.19Å; A660-V733 HydrophobicContact CB-CG1 4.15Å; A660-V733 HydrophobicContact CB-CG2 4.27Å; A660-V733 WeakPolarHBondContact O-CG2 3.27Å; K664-V733 HydrophobicContact CB-CG2 3.91Å; Y667-V733 WeakPolarHBondContact O-CG2 3.31Å; A670-V733 HydrophobicContact CB-CG1 3.87Å; W731-V733 HydrophobicContact CZ2-CB 4.33Å; W731-V733 PolarHBondContact NE1-O 3.28Å; V733-L735 PolarHBondContact O-N 2.83Å; V733-V765 WeakPolarHBondContact O-CG1 3.32Å |
| 734 | P | 98.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 42.4 Ų | 42.4 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | trans | -55.6 | 128.5 | 172.1 | -27.3 | 38.5 | 0 | 0 | 0 | 111.5 | H668 V669 A670 P766 W795 H799 | H668-P734 WeakPolarHBondContact O-CD 3.35Å; V669-P734 HydrophobicContact CG1-CB 4.5Å; A670-P734 PolarHBondContact N-O 3.29Å; P734-P766 WeakPolarHBondContact CA-O 3.29Å; P734-P766 HydrophobicContact CB-CB 4.2Å; P734-P766 HydrophobicContact CB-CG 4.43Å; P734-P766 HydrophobicContact CG-CG 4.39Å; P734-W795 HydrophobicContact CB-CZ2 3.73Å; P734-H799 HydrophobicContact CB-CB 4.08Å; P734-H799 HydrophobicContact CG-CB 4.01Å | ||
| 735 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.8 | -175.9 | -179.6 | 61.9 | 0 | 0 | 0 | 112.9 | L657 A670 A672 W731 V733 M737 F754 L758 P766 C767 E768 W795 | L657-L735 HydrophobicContact CD2-CD1 3.96Å; L657-L735 HydrophobicContact CD2-CD2 4.04Å; A670-L735 HydrophobicContact CB-CD1 4.03Å; A670-L735 WeakPolarHBondContact O-CA 3.29Å; A672-L735 HydrophobicContact CB-CD1 4.25Å; W731-L735 HydrophobicContact CZ2-CB 4.4Å; W731-L735 HydrophobicContact CZ2-CD2 4.34Å; V733-L735 PolarHBondContact O-N 2.83Å; L735-M737 HydrophobicContact CD2-CE 4.08Å; L735-F754 HydrophobicContact CD2-CD1 3.91Å; L735-F754 HydrophobicContact CD2-CE1 3.74Å; L735-L758 HydrophobicContact CB-CD2 3.96Å; L735-L758 HydrophobicContact CD2-CD2 3.7Å; L735-L758 HydrophobicContact CG-CD2 4.49Å; L735-P766 PolarHBondContact N-O 2.61Å; L735-C767 VanDerWaalsContact O-CA 3.29Å; L735-C767 WeakPolarHBondContact O-CA 3.43Å; L735-E768 PolarHBondContact O-N 2.91Å; L735-W795 WeakPolarHBondContact O-CZ2 2.97Å |
| 736 | L | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.1 | 163 | 178.8 | 61.7 | 0 | 0 | 0 | 109.4 | A670 T671 A672 L738 E768 L770 W795 | A670-L736 PolarHBondContact O-N 3.24Å; T671-L736 CarbonylContact C-O 3.49Å; T671-L736 VanDerWaalsContact CA-O 3.28Å; T671-L736 WeakPolarHBondContact CA-O 3.42Å; T671-L736 HydrophobicContact CG2-CB 4.06Å; T671-L736 HydrophobicContact CG2-CD2 3.95Å; T671-L736 HydrophobicContact CG2-CG 4.03Å; A672-L736 PolarHBondContact N-O 3.19Å; L736-L738 HydrophobicContact CD1-CD2 4.29Å; L736-L738 HydrophobicContact CD2-CD2 4.12Å; L736-L738 HydrophobicContact CG-CD2 3.97Å; L736-L738 HydrophobicContact CG-CG 4.35Å; L736-E768 HydrophobicContact CD1-CB 3.97Å; L736-L770 HydrophobicContact CD1-CD1 4.27Å; L736-L770 HydrophobicContact CD1-CG 4.14Å; L736-W795 HydrophobicContact CB-CD2 3.72Å; L736-W795 HydrophobicContact CB-CE3 4.34Å; L736-W795 HydrophobicContact CB-CG 3.78Å; L736-W795 HydrophobicContact CB-CZ2 4.32Å; L736-W795 HydrophobicContact CD2-CB 3.93Å; L736-W795 HydrophobicContact CD2-CD2 4.44Å; L736-W795 HydrophobicContact CD2-CG 4.03Å; L736-W795 HydrophobicContact CG-CG 4.5Å |
| 737 | M | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.2 | 179 | -176.1 | 68 | 70.8 | 0 | 0 | 109.8 | A672 P675 L735 L739 F754 C755 E768 T769 L770 | A672-M737 HydrophobicContact CB-SD 4.38Å; P675-M737 VanDerWaalsContact CD-SD 3.56Å; P675-M737 HydrophobicContact CG-CE 3.88Å; P675-M737 HydrophobicContact CG-SD 3.4Å; P675-M737 WeakPolarHBondContact CG-SD 3.12Å; L735-M737 HydrophobicContact CD2-CE 4.08Å; M737-L739 HydrophobicContact CG-CD1 3.96Å; M737-L739 HydrophobicContact CG-CD2 3.82Å; M737-L739 HydrophobicContact CG-CG 3.78Å; M737-L739 HydrophobicContact SD-CD2 3.84Å; M737-L739 HydrophobicContact SD-CG 4.47Å; M737-F754 HydrophobicContact CE-CB 4.48Å; M737-F754 HydrophobicContact CE-CD1 4.27Å; M737-C755 WeakPolarHBondContact CB-SG 3.45Å; M737-C755 VanDerWaalsContact CE-SG 3.57Å; M737-E768 PolarHBondContact N-O 3.23Å; M737-T769 HydrophobicContact CB-CG2 4.1Å; M737-T769 HydrophobicContact CG-CG2 4.07Å; M737-T769 CarbonylContact O-C 3.38Å; M737-T769 WeakPolarHBondContact O-CA 3.28Å; M737-L770 PolarHBondContact O-N 3.42Å |
| 738 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.5 | -178.9 | -55.4 | 172.8 | 0 | 0 | 0 | 109.2 | T671 A672 R673 N674 L736 L770 Y772 L779 V788 | T671-L738 HydrophobicContact CG2-CD1 3.57Å; T671-L738 HydrophobicContact CG2-CG 3.99Å; A672-L738 PolarHBondContact O-N 2.9Å; R673-L738 CarbonylContact C-O 3.5Å; R673-L738 WeakPolarHBondContact CA-O 3.29Å; R673-L738 HydrophobicContact CB-CB 4.38Å; R673-L738 HydrophobicContact CG-CB 4.23Å; N674-L738 PolarHBondContact N-O 3.41Å; N674-L738 PolarHBondContact OD1-O 3.49Å; L736-L738 HydrophobicContact CD1-CD2 4.29Å; L736-L738 HydrophobicContact CD2-CD2 4.12Å; L736-L738 HydrophobicContact CG-CD2 3.97Å; L736-L738 HydrophobicContact CG-CG 4.35Å; L738-L770 HydrophobicContact CD2-CB 4Å; L738-L770 HydrophobicContact CD2-CD1 3.8Å; L738-L770 HydrophobicContact CD2-CG 4.17Å; L738-Y772 HydrophobicContact CB-CE2 4.32Å; L738-Y772 HydrophobicContact CD2-CE2 4.2Å; L738-L779 HydrophobicContact CB-CD1 3.9Å; L738-V788 HydrophobicContact CD1-CB 4.44Å; L738-V788 HydrophobicContact CD1-CG1 3.75Å; L738-V788 HydrophobicContact CD1-CG2 4.11Å |
| 739 | L | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.1 | -170.1 | -58.7 | 177.8 | 0 | 0 | 0 | 113.1 | N674 M737 N748 L752 T769 L770 L771 Y772 | N674-L739 VanDerWaalsContact OD1-CA 3.23Å; N674-L739 WeakPolarHBondContact OD1-CA 3.34Å; M737-L739 HydrophobicContact CG-CD1 3.96Å; M737-L739 HydrophobicContact CG-CD2 3.82Å; M737-L739 HydrophobicContact CG-CG 3.78Å; M737-L739 HydrophobicContact SD-CD2 3.84Å; M737-L739 HydrophobicContact SD-CG 4.47Å; L739-N748 HydrophobicContact CB-CB 4.17Å; L739-N748 HydrophobicContact CD1-CB 4.3Å; L739-L752 HydrophobicContact CD1-CD2 4.06Å; L739-L752 HydrophobicContact CD1-CG 3.91Å; L739-T769 HydrophobicContact CD1-CG2 3.79Å; L739-T769 HydrophobicContact CG-CG2 4.37Å; L739-L770 PolarHBondContact N-O 2.77Å; L739-L771 HydrophobicContact CB-CD1 3.71Å; L739-L771 CarbonylContact O-C 3.49Å; L739-L771 WeakPolarHBondContact O-CA 3.36Å; L739-Y772 WeakPolarHBondContact O-CD2 3.35Å; L739-Y772 PolarHBondContact O-N 2.88Å |
| 740 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | N674 K742 D743 D775 | N674-G740 PolarHBondContact OD1-N 2.91Å; G740-K742 PolarHBondContact O-N 3.45Å; G740-D743 PolarHBondContact O-N 2.8Å; G740-D775 CarbonylContact C-O 3.46Å; G740-D775 WeakPolarHBondContact CA-O 3.46Å |
| 741 | G | 95.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 21.6 Ų | 21.6 | 27% | 0.268 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N748 Y772 D775 | G741-N748 PolarHBondContact O-ND2 3.39Å; G741-Y772 PolarHBondContact N-O 2.87Å; G741-D775 PolarHBondContact N-O 3.12Å |
| 742 | K | 92.3 | Very high | 97.1 | Very high | 109 Ų | 109 | 23.5 Ų | 23.5 | 47% | 0.474 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 4.7 | 179.8 | -62.9 | -174.9 | 177.9 | 178.7 | 0 | 113.9 | G740 R744 D775 | G740-K742 PolarHBondContact O-N 3.45Å; K742-R744 PolarHBondContact O-N 3.34Å; K742-R744 VanDerWaalsContact O-N 3.15Å; K742-D775 PolarHBondContact N-O 3.4Å; K742-D775 VanDerWaalsContact N-O 3.09Å |
| 743 | D | 94.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | trans | -64 | 116.2 | -178.6 | -170 | -8.4 | 0 | 0 | 0 | 110.6 | N674 G740 R745 V746 P747 H777 | N674-D743 WeakPolarHBondContact CB-OD2 3.44Å; N674-D743 PolarHBondContact ND2-OD2 3.13Å; G740-D743 PolarHBondContact O-N 2.8Å; D743-R745 WeakPolarHBondContact OD1-CA 3.17Å; D743-R745 VanDerWaalsContact OD1-CB 3.31Å; D743-R745 WeakPolarHBondContact OD1-CB 3.22Å; D743-R745 PolarHBondContact OD1-N 3.19Å; D743-V746 VanDerWaalsContact CG-O 3.26Å; D743-V746 PolarHBondContact OD1-N 3.31Å; D743-P747 WeakPolarHBondContact O-CA 3.47Å; D743-H777 IonicContact OD1-CG 3.89Å; D743-H777 IonicContact OD1-ND1 3.14Å; D743-H777 PolarHBondContact OD1-ND1 2.88Å; D743-H777 WeakPolarHBondContact OD2-CA 3.5Å; D743-H777 IonicContact OD2-CE1 3.75Å; D743-H777 IonicContact OD2-CG 3.03Å; D743-H777 IonicContact OD2-ND1 3.78Å; D743-H777 PolarHBondContact OD2-ND1 2.79Å | ||
| 744 | R | 92.6 | Very high | 97.2 | Very high | 99 Ų | 99 | 23 Ų | 23 | 37% | 0.374 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -12.8 | 172.1 | -64.5 | -173.9 | -177.1 | 175.6 | 4.8 | 113 | D217 S686 D687 K742 | D217-R744 IonicContact OD1-CZ 3.16Å; D217-R744 IonicContact OD1-NH1 3.78Å; D217-R744 PolarHBondContact OD1-NH1 2.73Å; D217-R744 IonicContact OD2-CZ 2.97Å; D217-R744 IonicContact OD2-NH1 2.88Å; D217-R744 PolarHBondContact OD2-NH1 3.04Å; D217-R744 IonicContact OD2-NH2 3.36Å; S686-R744 WeakPolarHBondContact CA-O 3.19Å; D687-R744 HydrophobicContact CB-CB 4.44Å; D687-R744 PolarHBondContact N-O 3.04Å; D687-R744 VanDerWaalsContact N-O 3.15Å; K742-R744 PolarHBondContact O-N 3.34Å; K742-R744 VanDerWaalsContact O-N 3.15Å |
| 745 | R | 94 | Very high | 97.2 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 3% | 0.034 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -46.2 | 179.5 | -180 | 50.4 | 42.2 | 121.8 | 0 | 111.4 | E220 Y282 S686 D687 I688 D743 H777 | E220-R745 VanDerWaalsContact CB-NH2 3.35Å; E220-R745 VanDerWaalsContact CD-NH1 3.3Å; E220-R745 IonicContact OE1-CZ 3.29Å; E220-R745 IonicContact OE1-NH1 2.75Å; E220-R745 PolarHBondContact OE1-NH1 2.9Å; E220-R745 IonicContact OE1-NH2 3.79Å; E220-R745 PolarHBondContact OE1-NH2 2.96Å; E220-R745 IonicContact OE2-CZ 4Å; E220-R745 IonicContact OE2-NH1 3.9Å; E220-R745 IonicContact OE2-NH2 2.63Å; E220-R745 PolarHBondContact OE2-NH2 2.86Å; Y282-R745 HydrophobicContact CD2-CG 4.25Å; Y282-R745 HydrophobicContact CE2-CG 4.39Å; S686-R745 PolarHBondContact OG-O 3.5Å; D687-R745 VanDerWaalsContact OD1-CA 3.28Å; D687-R745 WeakPolarHBondContact OD1-CA 3.39Å; D687-R745 IonicContact OD1-CZ 3.65Å; D687-R745 IonicContact OD1-NE 2.82Å; D687-R745 PolarHBondContact OD1-NE 3.45Å; D687-R745 IonicContact OD1-NH2 2.65Å; D687-R745 PolarHBondContact OD1-NH2 2.83Å; D687-R745 IonicContact OD2-CZ 2.77Å; D687-R745 IonicContact OD2-NE 3.14Å; D687-R745 IonicContact OD2-NH2 3.72Å; D687-R745 PolarHBondContact OD2-NH2 2.87Å; D687-R745 VanDerWaalsContact OD2-NH2 3.1Å; I688-R745 VanDerWaalsContact CG1-CD 3.41Å; D743-R745 WeakPolarHBondContact OD1-CA 3.17Å; D743-R745 VanDerWaalsContact OD1-CB 3.31Å; D743-R745 WeakPolarHBondContact OD1-CB 3.22Å; D743-R745 PolarHBondContact OD1-N 3.19Å; R745-H777 HydrophobicContact CB-CB 4.04Å |
| 746 | V | 97 | Very high | 97.2 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 88.3 | 167.4 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | P675 V676 D743 N748 Q750 | P675-V746 VanDerWaalsContact O-CG1 3.26Å; P675-V746 WeakPolarHBondContact O-CG1 3.32Å; V676-V746 HydrophobicContact CG2-CG1 4.2Å; V676-V746 HydrophobicContact CG2-CG2 3.61Å; D743-V746 VanDerWaalsContact CG-O 3.26Å; D743-V746 PolarHBondContact OD1-N 3.31Å; V746-N748 PolarHBondContact O-N 3.13Å; V746-Q750 HydrophobicContact CG1-CB 4.16Å; V746-Q750 HydrophobicContact CG1-CG 4Å |
| 747 | P | 96.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 135.4 | -176.3 | -29.8 | 35.8 | 0 | 0 | 0 | 112.5 | T685 D743 S749 Q750 | T685-P747 WeakPolarHBondContact O-CG 3.47Å; D743-P747 WeakPolarHBondContact O-CA 3.47Å; P747-S749 PolarHBondContact O-N 2.92Å; P747-Q750 VanDerWaalsContact O-CB 3.22Å; P747-Q750 WeakPolarHBondContact O-CB 3.3Å; P747-Q750 WeakPolarHBondContact O-CG 3.41Å; P747-Q750 PolarHBondContact O-N 3.29Å |
| 748 | N | 97.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21.6 | -176.9 | 62.6 | 46.3 | 0 | 0 | 0 | 113.7 | L739 G741 V746 Q750 G751 L752 L771 | L739-N748 HydrophobicContact CB-CB 4.17Å; L739-N748 HydrophobicContact CD1-CB 4.3Å; G741-N748 PolarHBondContact O-ND2 3.39Å; V746-N748 PolarHBondContact O-N 3.13Å; N748-Q750 PolarHBondContact O-N 2.81Å; N748-G751 PolarHBondContact O-N 2.77Å; N748-L752 WeakPolarHBondContact O-CB 3.31Å; N748-L752 VanDerWaalsContact O-CG 3.31Å; N748-L752 WeakPolarHBondContact O-CG 3.37Å; N748-L752 PolarHBondContact O-N 2.92Å; N748-L771 HydrophobicContact CB-CD1 4.12Å |
| 749 | S | 98.1 | Very high | 97.1 | Very high | 48 Ų | 48 | 40 Ų | 40 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55 | -30.9 | 172.4 | 62 | 0 | 0 | 0 | 0 | 112.7 | P747 T753 | P747-S749 PolarHBondContact O-N 2.92Å; S749-T753 WeakPolarHBondContact O-CB 3.18Å; S749-T753 PolarHBondContact O-N 3.08Å; S749-T753 PolarHBondContact O-OG1 2.86Å |
| 750 | Q | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -64.2 | 171.9 | -69.9 | -70 | -44.6 | 0 | 0 | 110.7 | T677 H678 S681 L682 V746 P747 N748 L752 T753 F754 | T677-Q750 HydrophobicContact CG2-CB 4.13Å; T677-Q750 PolarHBondContact OG1-O 2.82Å; T677-Q750 PolarHBondContact OG1-OE1 2.8Å; H678-Q750 PolarHBondContact O-NE2 3.16Å; H678-Q750 PolarHBondContact O-OE1 2.82Å; S681-Q750 PolarHBondContact OG-NE2 3.28Å; L682-Q750 HydrophobicContact CD1-CG 4.11Å; V746-Q750 HydrophobicContact CG1-CB 4.16Å; V746-Q750 HydrophobicContact CG1-CG 4Å; P747-Q750 VanDerWaalsContact O-CB 3.22Å; P747-Q750 WeakPolarHBondContact O-CB 3.3Å; P747-Q750 WeakPolarHBondContact O-CG 3.41Å; P747-Q750 PolarHBondContact O-N 3.29Å; N748-Q750 PolarHBondContact O-N 2.81Å; Q750-L752 PolarHBondContact O-N 3.28Å; Q750-T753 PolarHBondContact O-N 2.57Å; Q750-F754 PolarHBondContact O-N 2.97Å |
| 751 | G | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N748 F754 C755 | N748-G751 PolarHBondContact O-N 2.77Å; G751-F754 PolarHBondContact O-N 2.84Å; G751-C755 WeakPolarHBondContact O-CB 3.44Å; G751-C755 PolarHBondContact O-N 3.27Å; G751-C755 PolarHBondContact O-SG 2.82Å |
| 752 | L | 98.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.9 | -70.4 | 175 | 0 | 0 | 0 | 111.7 | L739 N748 Q750 C755 R756 T769 | L739-L752 HydrophobicContact CD1-CD2 4.06Å; L739-L752 HydrophobicContact CD1-CG 3.91Å; N748-L752 WeakPolarHBondContact O-CB 3.31Å; N748-L752 VanDerWaalsContact O-CG 3.31Å; N748-L752 WeakPolarHBondContact O-CG 3.37Å; N748-L752 PolarHBondContact O-N 2.92Å; Q750-L752 PolarHBondContact O-N 3.28Å; L752-C755 PolarHBondContact O-N 3Å; L752-R756 WeakPolarHBondContact O-CB 3.36Å; L752-R756 VanDerWaalsContact O-CG 3.25Å; L752-R756 WeakPolarHBondContact O-CG 3.45Å; L752-R756 PolarHBondContact O-N 3.05Å; L752-T769 HydrophobicContact CD2-CG2 4.2Å |
| 753 | T | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 34% | 0.337 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 178.4 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | S749 Q750 R756 K757 | S749-T753 WeakPolarHBondContact O-CB 3.18Å; S749-T753 PolarHBondContact O-N 3.08Å; S749-T753 PolarHBondContact O-OG1 2.86Å; Q750-T753 PolarHBondContact O-N 2.57Å; T753-R756 PolarHBondContact O-N 3.07Å; T753-K757 HydrophobicContact CG2-CD 4.21Å; T753-K757 WeakPolarHBondContact O-CG 3.22Å; T753-K757 PolarHBondContact O-N 3.07Å; T753-K757 VanDerWaalsContact O-N 3.12Å |
| 754 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 177 | -167.8 | -82.5 | 0 | 0 | 0 | 111.6 | L657 T677 P723 L724 L727 W731 L735 M737 Q750 G751 R756 K757 L758 | L657-F754 HydrophobicContact CB-CZ 4.41Å; L657-F754 HydrophobicContact CD1-CD1 4.48Å; L657-F754 HydrophobicContact CD1-CD2 4.14Å; L657-F754 HydrophobicContact CD1-CE1 4.46Å; L657-F754 HydrophobicContact CD1-CE2 4.11Å; L657-F754 HydrophobicContact CD1-CG 4.33Å; L657-F754 HydrophobicContact CD1-CZ 4.28Å; L657-F754 HydrophobicContact CD2-CD1 4.32Å; L657-F754 HydrophobicContact CD2-CE1 3.81Å; L657-F754 HydrophobicContact CD2-CZ 3.97Å; L657-F754 HydrophobicContact CG-CZ 4.45Å; T677-F754 HydrophobicContact CG2-CB 3.93Å; T677-F754 HydrophobicContact CG2-CD2 4.29Å; T677-F754 HydrophobicContact CG2-CG 4.29Å; P723-F754 HydrophobicContact CB-CE2 4.41Å; L724-F754 HydrophobicContact CB-CD2 4.33Å; L724-F754 HydrophobicContact CD1-CD2 3.75Å; L724-F754 HydrophobicContact CD1-CE2 4.26Å; L727-F754 HydrophobicContact CB-CE2 4.23Å; L727-F754 HydrophobicContact CB-CZ 4.31Å; L727-F754 HydrophobicContact CD1-CZ 4.26Å; L727-F754 HydrophobicContact CD2-CD2 4.35Å; L727-F754 HydrophobicContact CD2-CE1 4.3Å; L727-F754 HydrophobicContact CD2-CE2 4.14Å; L727-F754 HydrophobicContact CD2-CZ 4.1Å; L727-F754 HydrophobicContact CG-CZ 4.46Å; W731-F754 HydrophobicContact CE3-CZ 4.47Å; W731-F754 HydrophobicContact CH2-CE1 4.1Å; W731-F754 AromaticContact CH2-CZ 3.99Å; W731-F754 HydrophobicContact CH2-CZ 3.99Å; W731-F754 HydrophobicContact CZ3-CE1 4.25Å; W731-F754 AromaticContact CZ3-CZ 3.76Å; W731-F754 HydrophobicContact CZ3-CZ 3.76Å; L735-F754 HydrophobicContact CD2-CD1 3.91Å; L735-F754 HydrophobicContact CD2-CE1 3.74Å; M737-F754 HydrophobicContact CE-CB 4.48Å; M737-F754 HydrophobicContact CE-CD1 4.27Å; Q750-F754 PolarHBondContact O-N 2.97Å; G751-F754 PolarHBondContact O-N 2.84Å; F754-R756 PolarHBondContact O-N 2.96Å; F754-K757 PolarHBondContact O-N 2.96Å; F754-L758 WeakPolarHBondContact O-CB 3.4Å; F754-L758 PolarHBondContact O-N 3.04Å |
| 755 | C | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | -179.3 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | M737 G751 L752 L758 K759 T769 | M737-C755 WeakPolarHBondContact CB-SG 3.45Å; M737-C755 VanDerWaalsContact CE-SG 3.57Å; G751-C755 WeakPolarHBondContact O-CB 3.44Å; G751-C755 PolarHBondContact O-N 3.27Å; G751-C755 PolarHBondContact O-SG 2.82Å; L752-C755 PolarHBondContact O-N 3Å; C755-L758 PolarHBondContact O-N 2.82Å; C755-K759 WeakPolarHBondContact O-CB 3.29Å; C755-K759 VanDerWaalsContact O-CG 3.3Å; C755-K759 WeakPolarHBondContact O-CG 3.33Å; C755-K759 PolarHBondContact O-N 2.88Å; C755-T769 PolarHBondContact SG-OG1 2.84Å |
| 756 | R | 98.6 | Very high | 98.2 | Very high | 174 Ų | 174 | 49.9 Ų | 49.9 | 66% | 0.657 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -45.7 | 175.1 | -76.5 | 170.5 | 177.1 | 167.6 | -0 | 111.5 | L752 T753 F754 A760 | L752-R756 WeakPolarHBondContact O-CB 3.36Å; L752-R756 VanDerWaalsContact O-CG 3.25Å; L752-R756 WeakPolarHBondContact O-CG 3.45Å; L752-R756 PolarHBondContact O-N 3.05Å; T753-R756 PolarHBondContact O-N 3.07Å; F754-R756 PolarHBondContact O-N 2.96Å; R756-A760 WeakPolarHBondContact O-CB 3.32Å; R756-A760 PolarHBondContact O-N 3.22Å; R756-A760 VanDerWaalsContact O-N 3.1Å |
| 757 | K | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 177.6 | -72.4 | 173.7 | -179 | -73.9 | 0 | 111.6 | L724 L727 T753 F754 A760 L761 | L724-K757 HydrophobicContact CD1-CD 3.61Å; L724-K757 HydrophobicContact CD2-CD 4.21Å; L724-K757 HydrophobicContact CG-CD 4.39Å; L727-K757 HydrophobicContact CD2-CB 3.78Å; T753-K757 HydrophobicContact CG2-CD 4.21Å; T753-K757 WeakPolarHBondContact O-CG 3.22Å; T753-K757 PolarHBondContact O-N 3.07Å; T753-K757 VanDerWaalsContact O-N 3.12Å; F754-K757 PolarHBondContact O-N 2.96Å; K757-A760 PolarHBondContact O-N 3.44Å; K757-L761 WeakPolarHBondContact O-CB 3.47Å; K757-L761 WeakPolarHBondContact O-CG 3.44Å; K757-L761 PolarHBondContact O-N 3.03Å |
| 758 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 176.7 | 173.5 | 58.9 | 0 | 0 | 0 | 111.3 | L727 W731 L735 F754 C755 A760 L761 C762 C767 | L727-L758 HydrophobicContact CD1-CB 4.21Å; L727-L758 HydrophobicContact CD1-CD1 3.81Å; L727-L758 HydrophobicContact CD2-CB 4.22Å; W731-L758 HydrophobicContact CB-CD1 4.11Å; W731-L758 HydrophobicContact CD2-CD1 4.04Å; W731-L758 HydrophobicContact CG-CD1 3.57Å; W731-L758 HydrophobicContact CZ2-CD2 4.46Å; L735-L758 HydrophobicContact CB-CD2 3.96Å; L735-L758 HydrophobicContact CD2-CD2 3.7Å; L735-L758 HydrophobicContact CG-CD2 4.49Å; F754-L758 WeakPolarHBondContact O-CB 3.4Å; F754-L758 PolarHBondContact O-N 3.04Å; C755-L758 PolarHBondContact O-N 2.82Å; L758-A760 VanDerWaalsContact C-N 3.28Å; L758-A760 PolarHBondContact O-N 2.99Å; L758-L761 PolarHBondContact O-N 3.21Å; L758-C762 HydrophobicContact CD1-CB 3.95Å; L758-C762 WeakPolarHBondContact O-CA 3.27Å; L758-C762 PolarHBondContact O-N 3.26Å; L758-C767 HydrophobicContact CD2-CB 4.06Å |
| 759 | K | 98.5 | Very high | 98.4 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 177.8 | -73.3 | 173.8 | 178.8 | -179.5 | 0 | 112.9 | C755 P763 C767 | C755-K759 WeakPolarHBondContact O-CB 3.29Å; C755-K759 VanDerWaalsContact O-CG 3.3Å; C755-K759 WeakPolarHBondContact O-CG 3.33Å; C755-K759 PolarHBondContact O-N 2.88Å; K759-P763 WeakPolarHBondContact O-CA 3.41Å; K759-C767 WeakPolarHBondContact CE-O 3.49Å; K759-C767 HydrophobicContact CG-CB 4.04Å; K759-C767 PolarHBondContact NZ-O 2.78Å; K759-C767 VanDerWaalsContact NZ-O 3.16Å |
| 760 | A | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 53.4 Ų | 53.4 | 67% | 0.669 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -74.4 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | R756 K757 L758 | R756-A760 WeakPolarHBondContact O-CB 3.32Å; R756-A760 PolarHBondContact O-N 3.22Å; R756-A760 VanDerWaalsContact O-N 3.1Å; K757-A760 PolarHBondContact O-N 3.44Å; L758-A760 VanDerWaalsContact C-N 3.28Å; L758-A760 PolarHBondContact O-N 2.99Å |
| 761 | L | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 57.4 Ų | 57.4 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -80.3 | -37.1 | -178.3 | -70.8 | 168.1 | 0 | 0 | 0 | 112.6 | L727 K729 K757 L758 | L727-L761 HydrophobicContact CD2-CD1 4.45Å; L727-L761 HydrophobicContact CG-CD1 4.09Å; K729-L761 HydrophobicContact CG-CB 4.49Å; K729-L761 HydrophobicContact CG-CD2 4.09Å; K757-L761 WeakPolarHBondContact O-CB 3.47Å; K757-L761 WeakPolarHBondContact O-CG 3.44Å; K757-L761 PolarHBondContact O-N 3.03Å; L758-L761 PolarHBondContact O-N 3.21Å |
| 762 | C | 98.2 | Very high | 98.2 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | trans | -130.7 | 65.1 | -173.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | D728 L758 T764 V765 | D728-C762 PolarHBondContact O-SG 2.88Å; D728-C762 VanDerWaalsContact O-SG 3.35Å; L758-C762 HydrophobicContact CD1-CB 3.95Å; L758-C762 WeakPolarHBondContact O-CA 3.27Å; L758-C762 PolarHBondContact O-N 3.26Å; C762-T764 PolarHBondContact O-N 2.99Å; C762-V765 HydrophobicContact CB-CB 4.16Å; C762-V765 HydrophobicContact CB-CG2 3.8Å; C762-V765 PolarHBondContact O-N 3.14Å | ||
| 763 | P | 97.5 | Very high | 98 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 69% | 0.688 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | -173.5 | 25.7 | -36 | 0 | 0 | 0 | 114.6 | K759 | K759-P763 WeakPolarHBondContact O-CA 3.41Š|
| 764 | T | 97.7 | Very high | 97.5 | Very high | 132 Ų | 132 | 64.3 Ų | 64.3 | 81% | 0.81 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.5 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | C762 | C762-T764 PolarHBondContact O-N 2.99Š|
| 765 | V | 98.2 | Very high | 97.2 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 11% | 0.109 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -84 | 125.1 | 179.4 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | W731 V733 C762 C767 | W731-V765 WeakPolarHBondContact O-CG2 3.35Å; V733-V765 WeakPolarHBondContact O-CG1 3.32Å; C762-V765 HydrophobicContact CB-CB 4.16Å; C762-V765 HydrophobicContact CB-CG2 3.8Å; C762-V765 PolarHBondContact O-N 3.14Å; V765-C767 PolarHBondContact O-N 3.02Å |
| 766 | P | 98.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | trans | -58.5 | 123.7 | 174.8 | -22.6 | 32.7 | 0 | 0 | 0 | 111.3 | P734 L735 W795 | P734-P766 WeakPolarHBondContact CA-O 3.29Å; P734-P766 HydrophobicContact CB-CB 4.2Å; P734-P766 HydrophobicContact CB-CG 4.43Å; P734-P766 HydrophobicContact CG-CG 4.39Å; L735-P766 PolarHBondContact N-O 2.61Å; P766-W795 HydrophobicContact CB-CH2 3.92Å; P766-W795 HydrophobicContact CB-CZ2 4.43Å | ||
| 767 | C | 98.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 10% | 0.095 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 113 | 178 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | L735 L758 K759 V765 | L735-C767 VanDerWaalsContact O-CA 3.29Å; L735-C767 WeakPolarHBondContact O-CA 3.43Å; L758-C767 HydrophobicContact CD2-CB 4.06Å; K759-C767 WeakPolarHBondContact CE-O 3.49Å; K759-C767 HydrophobicContact CG-CB 4.04Å; K759-C767 PolarHBondContact NZ-O 2.78Å; K759-C767 VanDerWaalsContact NZ-O 3.16Å; V765-C767 PolarHBondContact O-N 3.02Å |
| 768 | E | 98.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 148.9 | 178.9 | -69.3 | -175.6 | -154.7 | 0 | 0 | 110.4 | L735 L736 M737 W795 K798 | L735-E768 PolarHBondContact O-N 2.91Å; L736-E768 HydrophobicContact CD1-CB 3.97Å; M737-E768 PolarHBondContact N-O 3.23Å; E768-W795 HydrophobicContact CB-CH2 4.17Å; E768-W795 HydrophobicContact CB-CZ3 3.94Å; E768-W795 VanDerWaalsContact CD-CZ3 3.46Å; E768-W795 HydrophobicContact CG-CH2 4.02Å; E768-W795 HydrophobicContact CG-CZ3 3.68Å; E768-W795 WeakPolarHBondContact OE1-CZ3 3.4Å; E768-K798 IonicContact OE1-NZ 3.54Å; E768-K798 PolarHBondContact OE1-NZ 3.08Å |
| 769 | T | 98.6 | Very high | 96 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 118.8 | 179.6 | -51.1 | 0 | 0 | 0 | 0 | 108.7 | M737 L739 L752 C755 | M737-T769 HydrophobicContact CB-CG2 4.1Å; M737-T769 HydrophobicContact CG-CG2 4.07Å; M737-T769 CarbonylContact O-C 3.38Å; M737-T769 WeakPolarHBondContact O-CA 3.28Å; L739-T769 HydrophobicContact CD1-CG2 3.79Å; L739-T769 HydrophobicContact CG-CG2 4.37Å; L752-T769 HydrophobicContact CD2-CG2 4.2Å; C755-T769 PolarHBondContact SG-OG1 2.84Å |
| 770 | L | 98.5 | Very high | 95.5 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.3 | 172.6 | -55 | -177.8 | 0 | 0 | 0 | 108.4 | L736 M737 L738 L739 Y772 D791 | L736-L770 HydrophobicContact CD1-CD1 4.27Å; L736-L770 HydrophobicContact CD1-CG 4.14Å; M737-L770 PolarHBondContact O-N 3.42Å; L738-L770 HydrophobicContact CD2-CB 4Å; L738-L770 HydrophobicContact CD2-CD1 3.8Å; L738-L770 HydrophobicContact CD2-CG 4.17Å; L739-L770 PolarHBondContact N-O 2.77Å; L770-Y772 HydrophobicContact CB-CE2 4.08Å; L770-D791 HydrophobicContact CD1-CB 4.12Å |
| 771 | L | 97.9 | Very high | 95 | Very high | 87 Ų | 87 | 53 Ų | 53 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119.3 | 178.7 | -178.9 | 71.2 | 0 | 0 | 0 | 108.7 | L739 N748 P773 | L739-L771 HydrophobicContact CB-CD1 3.71Å; L739-L771 CarbonylContact O-C 3.49Å; L739-L771 WeakPolarHBondContact O-CA 3.36Å; N748-L771 HydrophobicContact CB-CD1 4.12Å; L771-P773 VanDerWaalsContact O-CD 3.3Å; L771-P773 WeakPolarHBondContact O-CD 3.38Å |
| 772 | Y | 96.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 51 Ų | 51 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 98.2 | -179.5 | -59.5 | -81.3 | 0 | 0 | 0 | 109.3 | L738 L739 G741 L770 Y774 D775 L779 C784 D787 V788 | L738-Y772 HydrophobicContact CB-CE2 4.32Å; L738-Y772 HydrophobicContact CD2-CE2 4.2Å; L739-Y772 WeakPolarHBondContact O-CD2 3.35Å; L739-Y772 PolarHBondContact O-N 2.88Å; G741-Y772 PolarHBondContact N-O 2.87Å; L770-Y772 HydrophobicContact CB-CE2 4.08Å; Y772-Y774 PolarHBondContact O-N 2.95Å; Y772-Y774 VanDerWaalsContact O-N 3.09Å; Y772-D775 PolarHBondContact O-N 3.47Å; Y772-L779 HydrophobicContact CD2-CD1 3.84Å; Y772-L779 HydrophobicContact CD2-CD2 4.04Å; Y772-L779 HydrophobicContact CE2-CD1 3.93Å; Y772-C784 HydrophobicContact CD1-CB 4.02Å; Y772-C784 WeakPolarHBondContact CD1-SG 3.45Å; Y772-C784 VanDerWaalsContact CD2-SG 3.6Å; Y772-C784 HydrophobicContact CE1-CB 4.33Å; Y772-C784 HydrophobicContact CG-CB 4.4Å; Y772-D787 HydrophobicContact CE1-CB 4.19Å; Y772-D787 PolarHBondContact OH-OD2 3.17Å; Y772-V788 HydrophobicContact CE2-CG2 3.94Å; Y772-V788 WeakPolarHBondContact OH-CG2 3.37Å |
| 773 | P | 92.8 | Very high | 94 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.4 | -164.3 | 25.1 | -35.3 | 0 | 0 | 0 | 114.9 | L771 | L771-P773 VanDerWaalsContact O-CD 3.3Å; L771-P773 WeakPolarHBondContact O-CD 3.38Å |
| 774 | Y | 88.8 | Confident | 93.8 | Very high | 150 Ų | 150 | 46.6 Ų | 46.6 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -14.9 | -176.4 | -55.9 | -66.7 | 0 | 0 | 0 | 113.7 | F89 Y772 | F89-Y774 HydrophobicContact CE2-CD2 4.24Å; F89-Y774 AromaticContact CZ-CD2 3.84Å; F89-Y774 HydrophobicContact CZ-CD2 3.84Å; F89-Y774 HydrophobicContact CZ-CE2 4.31Å; Y772-Y774 PolarHBondContact O-N 2.95Å; Y772-Y774 VanDerWaalsContact O-N 3.09Å |
| 775 | D | 91.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | trans | -86.9 | 148.5 | 179.4 | -63 | -104.4 | 0 | 0 | 0 | 110.7 | G740 G741 K742 Y772 L779 S781 C784 | G740-D775 CarbonylContact C-O 3.46Å; G740-D775 WeakPolarHBondContact CA-O 3.46Å; G741-D775 PolarHBondContact N-O 3.12Å; K742-D775 PolarHBondContact N-O 3.4Å; K742-D775 VanDerWaalsContact N-O 3.09Å; Y772-D775 PolarHBondContact O-N 3.47Å; D775-L779 HydrophobicContact CB-CD2 3.67Å; D775-S781 WeakPolarHBondContact OD1-CB 3.47Å; D775-S781 PolarHBondContact OD1-N 2.74Å; D775-S781 PolarHBondContact OD1-OG 3.48Å; D775-S781 PolarHBondContact OD2-OG 2.63Å; D775-C784 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 776 | S | 91 | Very high | 93.3 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | trans | -102.1 | -146 | 175.4 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | N674 L779 | N674-S776 PolarHBondContact ND2-O 2.68Å; S776-L779 WeakPolarHBondContact O-CD2 3.36Å | ||
| 777 | H | 93.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -58.3 | -39.5 | -174.3 | -162.9 | 57.9 | 0 | 0 | 0 | 117.3 | Y282 S650 N674 D743 R745 | Y282-H777 HydrophobicContact CE2-CB 4.17Å; Y282-H777 AromaticContact CE2-CD2 3.57Å; Y282-H777 AromaticContact CZ-CD2 3.84Å; S650-H777 VanDerWaalsContact CB-NE2 3.28Å; S650-H777 WeakPolarHBondContact CB-NE2 3.36Å; S650-H777 PolarHBondContact OG-CE1 2.72Å; S650-H777 PolarHBondContact OG-NE2 3.42Å; N674-H777 PolarHBondContact ND2-O 2.85Å; D743-H777 IonicContact OD1-CG 3.89Å; D743-H777 IonicContact OD1-ND1 3.14Å; D743-H777 PolarHBondContact OD1-ND1 2.88Å; D743-H777 WeakPolarHBondContact OD2-CA 3.5Å; D743-H777 IonicContact OD2-CE1 3.75Å; D743-H777 IonicContact OD2-CG 3.03Å; D743-H777 IonicContact OD2-ND1 3.78Å; D743-H777 PolarHBondContact OD2-ND1 2.79Å; R745-H777 HydrophobicContact CB-CB 4.04Å |
| 778 | P | 91 | Very high | 93 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 24% | 0.24 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -79.8 | -25 | -174.1 | 28.5 | -34.3 | 0 | 0 | 0 | 115.1 | R673 D780 | R673-P778 PolarHBondContact NE-O 2.89Å; P778-D780 HydrophobicContact CB-CB 4.09Å; P778-D780 HydrophobicContact CG-CB 4.24Å; P778-D780 VanDerWaalsContact CG-CG 3.46Å; P778-D780 WeakPolarHBondContact CG-OD2 3.18Å |
| 779 | L | 93.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | 56.3 | 48.4 | -168.7 | -57.8 | -165.8 | 0 | 0 | 0 | 113.5 | R673 L738 Y772 D775 S776 C784 S785 V788 | R673-L779 HydrophobicContact CG-CD1 3.43Å; R673-L779 VanDerWaalsContact CG-CD1 3.43Å; R673-L779 HydrophobicContact CG-CG 3.95Å; L738-L779 HydrophobicContact CB-CD1 3.9Å; Y772-L779 HydrophobicContact CD2-CD1 3.84Å; Y772-L779 HydrophobicContact CD2-CD2 4.04Å; Y772-L779 HydrophobicContact CE2-CD1 3.93Å; D775-L779 HydrophobicContact CB-CD2 3.67Å; S776-L779 WeakPolarHBondContact O-CD2 3.36Å; L779-C784 VanDerWaalsContact CB-SG 3.59Å; L779-S785 PolarHBondContact O-OG 2.71Å; L779-V788 HydrophobicContact CD1-CG2 4.29Å | ||
| 780 | D | 88.2 | Confident | 92.7 | Very high | 105 Ų | 105 | 35.8 Ų | 35.8 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | trans | -105.6 | -0.3 | -168.7 | 60.6 | -4.7 | 0 | 0 | 0 | 114.5 | P778 S785 | P778-D780 HydrophobicContact CB-CB 4.09Å; P778-D780 HydrophobicContact CG-CB 4.24Å; P778-D780 VanDerWaalsContact CG-CG 3.46Å; P778-D780 WeakPolarHBondContact CG-OD2 3.18Å; D780-S785 WeakPolarHBondContact CA-OG 3.21Å | ||
| 781 | S | 88.2 | Confident | 92.6 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -59.9 | 144.8 | 174.1 | 73.6 | 0 | 0 | 0 | 0 | 110 | D775 A783 C784 S785 | D775-S781 WeakPolarHBondContact OD1-CB 3.47Å; D775-S781 PolarHBondContact OD1-N 2.74Å; D775-S781 PolarHBondContact OD1-OG 3.48Å; D775-S781 PolarHBondContact OD2-OG 2.63Å; S781-A783 PolarHBondContact O-N 3.01Å; S781-A783 VanDerWaalsContact O-N 3.08Å; S781-C784 PolarHBondContact O-N 3.46Å; S781-C784 WeakPolarHBondContact OG-CB 3.44Å; S781-C784 PolarHBondContact OG-N 2.89Å; S781-S785 WeakPolarHBondContact O-CB 2.94Å; S781-S785 PolarHBondContact O-N 2.83Å |
| 782 | P | 87.4 | Confident | 92.6 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 14% | 0.143 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.3 | -34.2 | -176.9 | -28.2 | 34.2 | 0 | 0 | 0 | 113.8 | T45 D51 L786 | T45-P782 HydrophobicContact CG2-CB 3.66Å; T45-P782 HydrophobicContact CG2-CG 3.93Å; D51-P782 VanDerWaalsContact N-CB 3.33Å; P782-L786 WeakPolarHBondContact O-CB 3.44Å; P782-L786 PolarHBondContact O-N 2.83Å |
| 783 | A | 88.8 | Confident | 92.6 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70 | -49.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K50 F89 S781 D787 | K50-A783 HydrophobicContact CB-CB 4.05Å; K50-A783 HydrophobicContact CD-CB 3.99Å; K50-A783 HydrophobicContact CG-CB 4.12Å; F89-A783 HydrophobicContact CD1-CB 4.12Å; F89-A783 HydrophobicContact CE1-CB 4.4Å; F89-A783 HydrophobicContact CG-CB 4.31Å; S781-A783 PolarHBondContact O-N 3.01Å; S781-A783 VanDerWaalsContact O-N 3.08Å; A783-D787 WeakPolarHBondContact O-CB 3.44Å; A783-D787 PolarHBondContact O-N 2.93Å; A783-D787 VanDerWaalsContact O-N 3.13Å |
| 784 | C | 92.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -48.5 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | Y772 D775 L779 S781 L786 D787 V788 | Y772-C784 HydrophobicContact CD1-CB 4.02Å; Y772-C784 WeakPolarHBondContact CD1-SG 3.45Å; Y772-C784 VanDerWaalsContact CD2-SG 3.6Å; Y772-C784 HydrophobicContact CE1-CB 4.33Å; Y772-C784 HydrophobicContact CG-CB 4.4Å; D775-C784 WeakPolarHBondContact OD1-CB 3.23Å; L779-C784 VanDerWaalsContact CB-SG 3.59Å; S781-C784 PolarHBondContact O-N 3.46Å; S781-C784 WeakPolarHBondContact OG-CB 3.44Å; S781-C784 PolarHBondContact OG-N 2.89Å; C784-L786 VanDerWaalsContact C-N 3.28Å; C784-L786 PolarHBondContact O-N 3.4Å; C784-D787 PolarHBondContact O-N 2.74Å; C784-D787 VanDerWaalsContact O-N 3.11Å; C784-V788 WeakPolarHBondContact O-CB 3.27Å; C784-V788 VanDerWaalsContact O-CG2 3.26Å; C784-V788 WeakPolarHBondContact O-CG2 3.45Å; C784-V788 PolarHBondContact O-N 3.2Å |
| 785 | S | 92.2 | Very high | 93.2 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 18% | 0.175 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.1 | -39.9 | 178.7 | -77.8 | 0 | 0 | 0 | 0 | 113 | F11 L779 D780 S781 F789 | F11-S785 WeakPolarHBondContact CE1-O 3.48Å; L779-S785 PolarHBondContact O-OG 2.71Å; D780-S785 WeakPolarHBondContact CA-OG 3.21Å; S781-S785 WeakPolarHBondContact O-CB 2.94Å; S781-S785 PolarHBondContact O-N 2.83Å; S785-F789 PolarHBondContact O-N 2.7Å; S785-F789 VanDerWaalsContact O-N 3.1Å |
| 786 | L | 93.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 19.3 Ų | 19.3 | 9% | 0.094 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 174.5 | -179.4 | 67.9 | 0 | 0 | 0 | 112.1 | F11 T47 P782 C784 F789 V790 | F11-L786 HydrophobicContact CB-CD1 4.22Å; F11-L786 HydrophobicContact CD1-CB 4.45Å; F11-L786 HydrophobicContact CD1-CD1 3.79Å; F11-L786 HydrophobicContact CG-CD1 4.48Å; T47-L786 HydrophobicContact CG2-CB 4.13Å; T47-L786 HydrophobicContact CG2-CD1 4.34Å; P782-L786 WeakPolarHBondContact O-CB 3.44Å; P782-L786 PolarHBondContact O-N 2.83Å; C784-L786 VanDerWaalsContact C-N 3.28Å; C784-L786 PolarHBondContact O-N 3.4Å; L786-F789 PolarHBondContact O-N 2.96Å; L786-V790 HydrophobicContact CD1-CG2 4.47Å; L786-V790 WeakPolarHBondContact O-CG2 3.32Å; L786-V790 PolarHBondContact O-N 2.93Å |
| 787 | D | 94.5 | Very high | 93.7 | Very high | 66 Ų | 66 | 20 Ų | 20 | 35% | 0.353 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.4 | -46.5 | -177.8 | -159.5 | 63.8 | 0 | 0 | 0 | 110.7 | Y772 A783 C784 F789 V790 D791 | Y772-D787 HydrophobicContact CE1-CB 4.19Å; Y772-D787 PolarHBondContact OH-OD2 3.17Å; A783-D787 WeakPolarHBondContact O-CB 3.44Å; A783-D787 PolarHBondContact O-N 2.93Å; A783-D787 VanDerWaalsContact O-N 3.13Å; C784-D787 PolarHBondContact O-N 2.74Å; C784-D787 VanDerWaalsContact O-N 3.11Å; D787-F789 PolarHBondContact O-N 3.21Å; D787-V790 PolarHBondContact O-N 3.32Å; D787-D791 WeakPolarHBondContact O-CB 3.18Å; D787-D791 PolarHBondContact O-N 2.81Å |
| 788 | V | 96.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.9 | -50.7 | 172.7 | 168 | 0 | 0 | 0 | 0 | 110.9 | M582 L738 Y772 L779 C784 C792 | M582-V788 HydrophobicContact CE-CG1 4.12Å; L738-V788 HydrophobicContact CD1-CB 4.44Å; L738-V788 HydrophobicContact CD1-CG1 3.75Å; L738-V788 HydrophobicContact CD1-CG2 4.11Å; Y772-V788 HydrophobicContact CE2-CG2 3.94Å; Y772-V788 WeakPolarHBondContact OH-CG2 3.37Å; L779-V788 HydrophobicContact CD1-CG2 4.29Å; C784-V788 WeakPolarHBondContact O-CB 3.27Å; C784-V788 VanDerWaalsContact O-CG2 3.26Å; C784-V788 WeakPolarHBondContact O-CG2 3.45Å; C784-V788 PolarHBondContact O-N 3.2Å; V788-C792 WeakPolarHBondContact O-CB 3.43Å; V788-C792 PolarHBondContact O-N 2.78Å; V788-C792 PolarHBondContact O-SG 2.83Å |
| 789 | F | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -51.5 | 178.4 | 174.8 | -96.7 | 0 | 0 | 0 | 111.9 | L7 F11 F586 S785 L786 D787 D791 C792 V793 | L7-F789 HydrophobicContact CB-CE1 4.36Å; L7-F789 HydrophobicContact CD2-CE1 4.37Å; F11-F789 HydrophobicContact CB-CD1 3.45Å; F11-F789 VanDerWaalsContact CB-CD1 3.45Å; F11-F789 HydrophobicContact CB-CE1 3.69Å; F11-F789 HydrophobicContact CB-CG 3.98Å; F11-F789 HydrophobicContact CB-CZ 4.39Å; F11-F789 HydrophobicContact CD1-CB 3.93Å; F11-F789 HydrophobicContact CD1-CD1 4.37Å; F11-F789 HydrophobicContact CD1-CG 4.2Å; F11-F789 HydrophobicContact CD2-CB 3.83Å; F11-F789 AromaticContact CD2-CD1 3.8Å; F11-F789 HydrophobicContact CD2-CD1 3.8Å; F11-F789 AromaticContact CD2-CD2 3.49Å; F11-F789 HydrophobicContact CD2-CD2 3.49Å; F11-F789 VanDerWaalsContact CD2-CD2 3.49Å; F11-F789 HydrophobicContact CD2-CE1 4.21Å; F11-F789 AromaticContact CD2-CE2 3.94Å; F11-F789 HydrophobicContact CD2-CE2 3.94Å; F11-F789 AromaticContact CD2-CG 3.4Å; F11-F789 HydrophobicContact CD2-CG 3.4Å; F11-F789 HydrophobicContact CD2-CZ 4.27Å; F11-F789 HydrophobicContact CE1-CB 4Å; F11-F789 HydrophobicContact CE2-CB 3.91Å; F11-F789 AromaticContact CE2-CD2 3.79Å; F11-F789 HydrophobicContact CE2-CD2 3.79Å; F11-F789 AromaticContact CE2-CG 3.87Å; F11-F789 HydrophobicContact CE2-CG 3.87Å; F11-F789 HydrophobicContact CG-CB 3.84Å; F11-F789 AromaticContact CG-CD1 3.62Å; F11-F789 HydrophobicContact CG-CD1 3.62Å; F11-F789 HydrophobicContact CG-CD2 4.17Å; F11-F789 HydrophobicContact CG-CE1 4.19Å; F11-F789 AromaticContact CG-CG 3.59Å; F11-F789 HydrophobicContact CG-CG 3.59Å; F11-F789 HydrophobicContact CZ-CB 3.99Å; F11-F789 HydrophobicContact CZ-CG 4.43Å; F586-F789 HydrophobicContact CD1-CD2 4.31Å; F586-F789 AromaticContact CD1-CE2 3.84Å; F586-F789 HydrophobicContact CD1-CE2 3.84Å; F586-F789 AromaticContact CE1-CD2 4Å; F586-F789 HydrophobicContact CE1-CD2 4Å; F586-F789 AromaticContact CE1-CE2 3.99Å; F586-F789 HydrophobicContact CE1-CE2 3.99Å; S785-F789 PolarHBondContact O-N 2.7Å; S785-F789 VanDerWaalsContact O-N 3.1Å; L786-F789 PolarHBondContact O-N 2.96Å; D787-F789 PolarHBondContact O-N 3.21Å; F789-D791 PolarHBondContact O-N 3.16Å; F789-C792 PolarHBondContact O-N 2.87Å; F789-V793 HydrophobicContact CD2-CG2 4.43Å; F789-V793 HydrophobicContact CE1-CG2 4.21Å; F789-V793 HydrophobicContact CE2-CG2 4.05Å; F789-V793 HydrophobicContact CZ-CG2 3.95Å; F789-V793 VanDerWaalsContact O-CG2 3.3Å; F789-V793 WeakPolarHBondContact O-CG2 3.46Å; F789-V793 PolarHBondContact O-N 2.95Å; F789-V793 VanDerWaalsContact O-N 3.08Å |
| 790 | V | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | -175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | K4 L7 L786 D787 N794 | K4-V790 HydrophobicContact CB-CG1 4.25Å; K4-V790 HydrophobicContact CD-CG1 4.08Å; K4-V790 HydrophobicContact CG-CG1 3.88Å; L7-V790 HydrophobicContact CB-CG2 4.06Å; L7-V790 HydrophobicContact CD1-CG1 4.38Å; L786-V790 HydrophobicContact CD1-CG2 4.47Å; L786-V790 WeakPolarHBondContact O-CG2 3.32Å; L786-V790 PolarHBondContact O-N 2.93Å; D787-V790 PolarHBondContact O-N 3.32Å; V790-N794 WeakPolarHBondContact O-CB 3.45Å; V790-N794 PolarHBondContact O-N 2.77Å; V790-N794 PolarHBondContact O-ND2 3.46Å |
| 791 | D | 96.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 16% | 0.16 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -77.3 | -32.8 | -177.1 | -74.4 | -27.4 | 0 | 0 | 0 | 112.3 | K4 L770 D787 F789 N794 W795 | K4-D791 IonicContact NZ-OD1 2.99Å; K4-D791 PolarHBondContact NZ-OD1 2.59Å; L770-D791 HydrophobicContact CD1-CB 4.12Å; D787-D791 WeakPolarHBondContact O-CB 3.18Å; D787-D791 PolarHBondContact O-N 2.81Å; F789-D791 PolarHBondContact O-N 3.16Å; D791-N794 PolarHBondContact O-N 2.74Å; D791-W795 WeakPolarHBondContact O-CB 3.08Å; D791-W795 PolarHBondContact O-N 3.39Å |
| 792 | C | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.2 | -50.5 | 168.2 | -75.8 | 0 | 0 | 0 | 0 | 111.6 | F586 F647 V788 F789 N794 W795 F796 | F586-C792 HydrophobicContact CE1-CB 4.35Å; F586-C792 HydrophobicContact CZ-CB 4.3Å; F647-C792 VanDerWaalsContact CE2-SG 3.53Å; V788-C792 WeakPolarHBondContact O-CB 3.43Å; V788-C792 PolarHBondContact O-N 2.78Å; V788-C792 PolarHBondContact O-SG 2.83Å; F789-C792 PolarHBondContact O-N 2.87Å; C792-N794 PolarHBondContact O-N 3.05Å; C792-W795 WeakPolarHBondContact O-CB 3.46Å; C792-W795 PolarHBondContact O-N 3.22Å; C792-F796 HydrophobicContact CB-CE2 4.09Å; C792-F796 HydrophobicContact CB-CZ 4.26Å; C792-F796 VanDerWaalsContact O-CD2 3.24Å; C792-F796 WeakPolarHBondContact O-CD2 3.22Å; C792-F796 WeakPolarHBondContact O-CG 3.36Å; C792-F796 PolarHBondContact O-N 2.75Å |
| 793 | V | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -49.5 | 179.4 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | L2 L7 F586 I589 F789 W795 F796 L797 | L2-V793 HydrophobicContact CD1-CG1 4.42Å; L7-V793 HydrophobicContact CD1-CB 4.16Å; L7-V793 HydrophobicContact CD1-CG1 3.76Å; L7-V793 HydrophobicContact CD2-CG1 3.9Å; F586-V793 HydrophobicContact CD1-CG2 3.89Å; F586-V793 HydrophobicContact CE1-CG2 3.76Å; I589-V793 HydrophobicContact CD1-CB 3.97Å; I589-V793 HydrophobicContact CD1-CG1 3.36Å; I589-V793 HydrophobicContact CD1-CG2 3.34Å; F789-V793 HydrophobicContact CD2-CG2 4.43Å; F789-V793 HydrophobicContact CE1-CG2 4.21Å; F789-V793 HydrophobicContact CE2-CG2 4.05Å; F789-V793 HydrophobicContact CZ-CG2 3.95Å; F789-V793 VanDerWaalsContact O-CG2 3.3Å; F789-V793 WeakPolarHBondContact O-CG2 3.46Å; F789-V793 PolarHBondContact O-N 2.95Å; F789-V793 VanDerWaalsContact O-N 3.08Å; V793-W795 VanDerWaalsContact C-N 3.3Å; V793-W795 PolarHBondContact O-N 3.43Å; V793-F796 PolarHBondContact O-N 3.27Å; V793-L797 HydrophobicContact CG1-CD1 3.8Å; V793-L797 HydrophobicContact CG1-CG 4.35Å; V793-L797 WeakPolarHBondContact O-CB 3.24Å; V793-L797 VanDerWaalsContact O-CG 3.23Å; V793-L797 WeakPolarHBondContact O-CG 3.29Å; V793-L797 PolarHBondContact O-N 2.89Å |
| 794 | N | 96.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.5 | -37.4 | 179.3 | -75.4 | -41.9 | 0 | 0 | 0 | 112.2 | M1 V790 D791 C792 L797 K798 | M1-N794 HydrophobicContact CE-CB 4Å; M1-N794 HydrophobicContact SD-CB 3.74Å; V790-N794 WeakPolarHBondContact O-CB 3.45Å; V790-N794 PolarHBondContact O-N 2.77Å; V790-N794 PolarHBondContact O-ND2 3.46Å; D791-N794 PolarHBondContact O-N 2.74Å; C792-N794 PolarHBondContact O-N 3.05Å; N794-L797 PolarHBondContact O-N 3.47Å; N794-K798 WeakPolarHBondContact O-CB 3.37Å; N794-K798 PolarHBondContact O-N 3.12Å |
| 795 | W | 98.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 176.2 | -172.8 | -105.8 | 0 | 0 | 0 | 111.7 | V669 A670 P734 L735 L736 P766 E768 D791 C792 V793 L797 K798 H799 | V669-W795 HydrophobicContact CG1-CG 4.3Å; A670-W795 PolarHBondContact O-NE1 3.04Å; P734-W795 HydrophobicContact CB-CZ2 3.73Å; L735-W795 WeakPolarHBondContact O-CZ2 2.97Å; L736-W795 HydrophobicContact CB-CD2 3.72Å; L736-W795 HydrophobicContact CB-CE3 4.34Å; L736-W795 HydrophobicContact CB-CG 3.78Å; L736-W795 HydrophobicContact CB-CZ2 4.32Å; L736-W795 HydrophobicContact CD2-CB 3.93Å; L736-W795 HydrophobicContact CD2-CD2 4.44Å; L736-W795 HydrophobicContact CD2-CG 4.03Å; L736-W795 HydrophobicContact CG-CG 4.5Å; P766-W795 HydrophobicContact CB-CH2 3.92Å; P766-W795 HydrophobicContact CB-CZ2 4.43Å; E768-W795 HydrophobicContact CB-CH2 4.17Å; E768-W795 HydrophobicContact CB-CZ3 3.94Å; E768-W795 VanDerWaalsContact CD-CZ3 3.46Å; E768-W795 HydrophobicContact CG-CH2 4.02Å; E768-W795 HydrophobicContact CG-CZ3 3.68Å; E768-W795 WeakPolarHBondContact OE1-CZ3 3.4Å; D791-W795 WeakPolarHBondContact O-CB 3.08Å; D791-W795 PolarHBondContact O-N 3.39Å; C792-W795 WeakPolarHBondContact O-CB 3.46Å; C792-W795 PolarHBondContact O-N 3.22Å; V793-W795 VanDerWaalsContact C-N 3.3Å; V793-W795 PolarHBondContact O-N 3.43Å; W795-L797 PolarHBondContact O-N 2.72Å; W795-K798 PolarHBondContact O-N 3.05Å; W795-H799 AromaticContact CD2-CD2 3.65Å; W795-H799 AromaticContact CE2-CD2 3.69Å; W795-H799 AromaticContact CE3-CD2 3.77Å; W795-H799 AromaticContact CE3-NE2 3.77Å; W795-H799 AromaticContact CH2-CD2 3.97Å; W795-H799 AromaticContact CH2-NE2 3.6Å; W795-H799 AromaticContact CZ2-CD2 3.85Å; W795-H799 AromaticContact CZ2-NE2 3.95Å; W795-H799 AromaticContact CZ3-CD2 3.92Å; W795-H799 AromaticContact CZ3-NE2 3.49Å; W795-H799 WeakPolarHBondContact CZ3-NE2 3.26Å; W795-H799 PolarHBondContact O-CD2 2.9Å; W795-H799 PolarHBondContact O-N 2.86Å |
| 796 | F | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.3 | -57.9 | -30 | 0 | 0 | 0 | 111.1 | I564 F586 F591 V645 F647 V669 T671 C792 V793 K798 H799 L800 | I564-F796 HydrophobicContact CD1-CD2 4.17Å; I564-F796 HydrophobicContact CD1-CE2 3.96Å; I564-F796 HydrophobicContact CG1-CE2 4.36Å; I564-F796 HydrophobicContact CG2-CE2 4.47Å; F586-F796 HydrophobicContact CE1-CE2 4.26Å; F586-F796 HydrophobicContact CZ-CE2 4.22Å; F591-F796 HydrophobicContact CE1-CB 4.35Å; F591-F796 HydrophobicContact CZ-CB 3.9Å; V645-F796 HydrophobicContact CB-CD1 4.01Å; V645-F796 HydrophobicContact CB-CE1 4.22Å; V645-F796 HydrophobicContact CG1-CD1 4.34Å; V645-F796 HydrophobicContact CG2-CD1 3.91Å; V645-F796 HydrophobicContact CG2-CD2 4.2Å; V645-F796 HydrophobicContact CG2-CE1 4.04Å; V645-F796 HydrophobicContact CG2-CE2 4.32Å; V645-F796 HydrophobicContact CG2-CG 4.02Å; V645-F796 HydrophobicContact CG2-CZ 4.26Å; F647-F796 HydrophobicContact CB-CZ 4.11Å; F647-F796 HydrophobicContact CD2-CZ 4.37Å; V669-F796 HydrophobicContact CB-CD1 4.36Å; V669-F796 HydrophobicContact CG1-CD1 3.92Å; V669-F796 HydrophobicContact CG1-CE1 4.5Å; T671-F796 WeakPolarHBondContact OG1-CE1 3.33Å; C792-F796 HydrophobicContact CB-CE2 4.09Å; C792-F796 HydrophobicContact CB-CZ 4.26Å; C792-F796 VanDerWaalsContact O-CD2 3.24Å; C792-F796 WeakPolarHBondContact O-CD2 3.22Å; C792-F796 WeakPolarHBondContact O-CG 3.36Å; C792-F796 PolarHBondContact O-N 2.75Å; V793-F796 PolarHBondContact O-N 3.27Å; F796-K798 VanDerWaalsContact C-N 3.31Å; F796-K798 PolarHBondContact O-N 3.17Å; F796-H799 PolarHBondContact O-N 2.86Å; F796-L800 HydrophobicContact CB-CD1 4.2Å; F796-L800 WeakPolarHBondContact O-CB 3.35Å; F796-L800 VanDerWaalsContact O-CG 3.24Å; F796-L800 WeakPolarHBondContact O-CG 3.38Å; F796-L800 PolarHBondContact O-N 3.08Å |
| 797 | L | 95.1 | Very high | 96 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 19% | 0.188 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.9 | -28 | -178.3 | -66.1 | 176.9 | 0 | 0 | 0 | 114.4 | L2 R561 F591 V793 N794 W795 | L2-L797 HydrophobicContact CB-CD1 4.39Å; L2-L797 HydrophobicContact CD1-CD1 3.7Å; L2-L797 HydrophobicContact CG-CD1 3.65Å; R561-L797 VanDerWaalsContact CD-CD2 3.43Å; F591-L797 HydrophobicContact CE2-CD2 4.14Å; F591-L797 HydrophobicContact CZ-CD2 4.04Å; V793-L797 HydrophobicContact CG1-CD1 3.8Å; V793-L797 HydrophobicContact CG1-CG 4.35Å; V793-L797 WeakPolarHBondContact O-CB 3.24Å; V793-L797 VanDerWaalsContact O-CG 3.23Å; V793-L797 WeakPolarHBondContact O-CG 3.29Å; V793-L797 PolarHBondContact O-N 2.89Å; N794-L797 PolarHBondContact O-N 3.47Å; W795-L797 PolarHBondContact O-N 2.72Å |
| 798 | K | 96.5 | Very high | 96.1 | Very high | 110 Ų | 110 | 23.2 Ų | 23.2 | 48% | 0.478 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -76.9 | -29.7 | 179.3 | 178.8 | -177.8 | 172 | -165.6 | 0 | 112 | M1 E768 N794 W795 F796 | M1-K798 HydrophobicContact SD-CB 4.33Å; E768-K798 IonicContact OE1-NZ 3.54Å; E768-K798 PolarHBondContact OE1-NZ 3.08Å; N794-K798 WeakPolarHBondContact O-CB 3.37Å; N794-K798 PolarHBondContact O-N 3.12Å; W795-K798 PolarHBondContact O-N 3.05Å; F796-K798 VanDerWaalsContact C-N 3.31Å; F796-K798 PolarHBondContact O-N 3.17Å |
| 799 | H | 96.5 | Very high | 96.1 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 20% | 0.199 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -115.8 | -10.4 | -168.6 | -68.4 | -59.8 | 0 | 0 | 0 | 114.7 | V669 P734 W795 F796 | V669-H799 HydrophobicContact CB-CB 4.49Å; V669-H799 HydrophobicContact CG1-CB 4.08Å; V669-H799 HydrophobicContact CG2-CB 3.56Å; P734-H799 HydrophobicContact CB-CB 4.08Å; P734-H799 HydrophobicContact CG-CB 4.01Å; W795-H799 AromaticContact CD2-CD2 3.65Å; W795-H799 AromaticContact CE2-CD2 3.69Å; W795-H799 AromaticContact CE3-CD2 3.77Å; W795-H799 AromaticContact CE3-NE2 3.77Å; W795-H799 AromaticContact CH2-CD2 3.97Å; W795-H799 AromaticContact CH2-NE2 3.6Å; W795-H799 AromaticContact CZ2-CD2 3.85Å; W795-H799 AromaticContact CZ2-NE2 3.95Å; W795-H799 AromaticContact CZ3-CD2 3.92Å; W795-H799 AromaticContact CZ3-NE2 3.49Å; W795-H799 WeakPolarHBondContact CZ3-NE2 3.26Å; W795-H799 PolarHBondContact O-CD2 2.9Å; W795-H799 PolarHBondContact O-N 2.86Å; F796-H799 PolarHBondContact O-N 2.86Å |
| 800 | L | 90.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 27 Ų | 27 | 31% | 0.314 | 13% | 0.13 | S | C | . | . | trans | -75.6 | 0 | 162.6 | -78.4 | 170.7 | 0 | 0 | 0 | 111.3 | F591 K643 V645 H668 V669 F796 | F591-L800 HydrophobicContact CE1-CD1 3.52Å; F591-L800 HydrophobicContact CZ-CD1 3.86Å; K643-L800 HydrophobicContact CB-CD2 3.4Å; K643-L800 VanDerWaalsContact CB-CD2 3.4Å; K643-L800 HydrophobicContact CD-CD2 3.75Å; K643-L800 HydrophobicContact CG-CD2 4.22Å; K643-L800 PolarHBondContact NZ-O 3.45Å; V645-L800 HydrophobicContact CG1-CD1 3.75Å; V645-L800 HydrophobicContact CG1-CD2 3.55Å; V645-L800 HydrophobicContact CG1-CG 3.71Å; H668-L800 HydrophobicContact CB-CD2 4.3Å; V669-L800 HydrophobicContact CG2-CD2 4.42Å; V669-L800 HydrophobicContact CG2-CG 4.15Å; F796-L800 HydrophobicContact CB-CD1 4.2Å; F796-L800 WeakPolarHBondContact O-CB 3.35Å; F796-L800 VanDerWaalsContact O-CG 3.24Å; F796-L800 WeakPolarHBondContact O-CG 3.38Å; F796-L800 PolarHBondContact O-N 3.08Å |
Retrieved 800 of 800 residues in 385.7 ms
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