| 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 | 53 | Low | 79.4 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | 0 | -42.7 | 0 | -71.7 | 175.1 | 168.5 | 0 | 0 | 110 | F3 F4 L742 | M1-F3 PolarHBondContact O-N 3.3Å; M1-F4 PolarHBondContact O-N 3.22Å; M1-L742 HydrophobicContact CE-CB 3.83Å; M1-L742 HydrophobicContact CE-CD2 4.16Å; M1-L742 VanDerWaalsContact CE-O 3.3Å; M1-L742 WeakPolarHBondContact CE-O 3.27Å; M1-L742 VanDerWaalsContact CG-O 3.29Å; M1-L742 WeakPolarHBondContact CG-O 3.35Å | |||
| 2 | D | 65.7 | Low | 80.3 | Confident | 97 Ų | 97 | 86.2 Ų | 86.2 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -53.8 | -19 | 175.9 | -55 | 8 | 0 | 0 | 0 | 116.5 | R6 P746 | D2-R6 VanDerWaalsContact O-CB 3.26Å; D2-R6 WeakPolarHBondContact O-CB 3.45Å; D2-R6 PolarHBondContact O-N 2.99Å; D2-R6 VanDerWaalsContact O-N 3.15Å; D2-P746 WeakPolarHBondContact OD1-CB 3.35Å |
| 3 | F | 73.7 | Confident | 81.2 | Confident | 148 Ų | 148 | 80.9 Ų | 80.9 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.9 | -50.5 | 179.5 | -179.8 | -90.8 | 0 | 0 | 0 | 112.1 | M1 R6 H7 | M1-F3 PolarHBondContact O-N 3.3Å; F3-R6 PolarHBondContact O-N 3.12Å; F3-H7 AromaticContact CD1-ND1 3.76Å; F3-H7 AromaticContact CD2-CE1 3.4Å; F3-H7 VanDerWaalsContact CD2-CE1 3.4Å; F3-H7 WeakPolarHBondContact CD2-CE1 3.3Å; F3-H7 AromaticContact CD2-ND1 3.77Å; F3-H7 AromaticContact CE1-CE1 3.73Å; F3-H7 AromaticContact CE1-ND1 3.68Å; F3-H7 AromaticContact CE2-CE1 3.03Å; F3-H7 WeakPolarHBondContact CE2-CE1 3.43Å; F3-H7 AromaticContact CE2-ND1 3.72Å; F3-H7 AromaticContact CE2-NE2 3.71Å; F3-H7 AromaticContact CG-CE1 3.92Å; F3-H7 AromaticContact CG-ND1 3.81Å; F3-H7 AromaticContact CZ-CE1 3.2Å; F3-H7 WeakPolarHBondContact CZ-CE1 3.08Å; F3-H7 AromaticContact CZ-ND1 3.66Å; F3-H7 AromaticContact CZ-NE2 3.57Å; F3-H7 PolarHBondContact O-N 3.36Å; F3-H7 VanDerWaalsContact O-N 3.08Å; F3-H7 PolarHBondContact O-ND1 3.28Å |
| 4 | F | 76.6 | Confident | 82 | Confident | 90 Ų | 90 | 85.6 Ų | 85.6 | 40% | 0.395 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.6 | -46.9 | -173.1 | -174.6 | -83.8 | 0 | 0 | 0 | 111.6 | M1 R6 H7 L8 F378 L744 | M1-F4 PolarHBondContact O-N 3.22Å; F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.35Å; F4-H7 PolarHBondContact O-N 3.48Å; F4-H7 VanDerWaalsContact O-N 3.14Å; F4-L8 HydrophobicContact CD1-CB 4.5Å; F4-L8 HydrophobicContact CE1-CB 4.27Å; F4-L8 HydrophobicContact CE1-CD2 4.05Å; F4-L8 WeakPolarHBondContact O-CB 3.43Å; F4-L8 PolarHBondContact O-N 3.15Å; F4-F378 HydrophobicContact CE1-CE1 4.08Å; F4-F378 HydrophobicContact CZ-CE1 4.15Å; F4-L744 HydrophobicContact CD1-CD2 3.38Å; F4-L744 HydrophobicContact CE1-CD2 3.28Å; F4-L744 HydrophobicContact CZ-CD2 4.39Å |
| 5 | E | 81.7 | Confident | 82.8 | Confident | 19 Ų | 19 | 84.7 Ų | 84.7 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -53.9 | -47 | 176.3 | 179.9 | -89.6 | -179.1 | 0 | 0 | 111.2 | H7 L8 R9 V375 Y800 | E5-H7 PolarHBondContact O-N 3.48Å; E5-L8 PolarHBondContact O-N 3.45Å; E5-R9 WeakPolarHBondContact O-CG 3.37Å; E5-R9 PolarHBondContact O-N 3.4Å; E5-R9 WeakPolarHBondContact OE1-CD 3.35Å; E5-R9 IonicContact OE1-CZ 2.98Å; E5-R9 IonicContact OE1-NE 2.93Å; E5-R9 PolarHBondContact OE1-NE 3.22Å; E5-R9 IonicContact OE1-NH1 3.52Å; E5-R9 PolarHBondContact OE1-NH1 3.24Å; E5-R9 IonicContact OE1-NH2 2.67Å; E5-V375 HydrophobicContact CG-CG1 4.27Å; E5-Y800 HydrophobicContact CG-CE2 4.16Å; E5-Y800 PolarHBondContact OE1-OH 2.98Å |
| 6 | R | 82.7 | Confident | 83.3 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 64% | 0.642 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 178.9 | -172.8 | 177.1 | 179.1 | -174.1 | -0.6 | 112.4 | D2 F3 F4 L10 | D2-R6 VanDerWaalsContact O-CB 3.26Å; D2-R6 WeakPolarHBondContact O-CB 3.45Å; D2-R6 PolarHBondContact O-N 2.99Å; D2-R6 VanDerWaalsContact O-N 3.15Å; F3-R6 PolarHBondContact O-N 3.12Å; F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.35Å; R6-L10 HydrophobicContact CG-CD1 4.21Å; R6-L10 WeakPolarHBondContact O-CB 3.13Å; R6-L10 WeakPolarHBondContact O-CG 3.2Å; R6-L10 PolarHBondContact O-N 3.06Å |
| 7 | H | 86.8 | Confident | 83.9 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 43% | 0.431 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 177.3 | -77.3 | 75.8 | 0 | 0 | 0 | 111.7 | F3 F4 E5 L10 L11 | F3-H7 AromaticContact CD1-ND1 3.76Å; F3-H7 AromaticContact CD2-CE1 3.4Å; F3-H7 VanDerWaalsContact CD2-CE1 3.4Å; F3-H7 WeakPolarHBondContact CD2-CE1 3.3Å; F3-H7 AromaticContact CD2-ND1 3.77Å; F3-H7 AromaticContact CE1-CE1 3.73Å; F3-H7 AromaticContact CE1-ND1 3.68Å; F3-H7 AromaticContact CE2-CE1 3.03Å; F3-H7 WeakPolarHBondContact CE2-CE1 3.43Å; F3-H7 AromaticContact CE2-ND1 3.72Å; F3-H7 AromaticContact CE2-NE2 3.71Å; F3-H7 AromaticContact CG-CE1 3.92Å; F3-H7 AromaticContact CG-ND1 3.81Å; F3-H7 AromaticContact CZ-CE1 3.2Å; F3-H7 WeakPolarHBondContact CZ-CE1 3.08Å; F3-H7 AromaticContact CZ-ND1 3.66Å; F3-H7 AromaticContact CZ-NE2 3.57Å; F3-H7 PolarHBondContact O-N 3.36Å; F3-H7 VanDerWaalsContact O-N 3.08Å; F3-H7 PolarHBondContact O-ND1 3.28Å; F4-H7 PolarHBondContact O-N 3.48Å; F4-H7 VanDerWaalsContact O-N 3.14Å; E5-H7 PolarHBondContact O-N 3.48Å; H7-L10 PolarHBondContact O-N 2.85Å; H7-L11 WeakPolarHBondContact O-CB 3.45Å; H7-L11 PolarHBondContact O-N 3.11Å |
| 8 | L | 86.5 | Confident | 84.5 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.6 | -174.8 | 61.1 | 0 | 0 | 0 | 110.6 | F4 E5 L10 L11 S12 V375 F378 | F4-L8 HydrophobicContact CD1-CB 4.5Å; F4-L8 HydrophobicContact CE1-CB 4.27Å; F4-L8 HydrophobicContact CE1-CD2 4.05Å; F4-L8 WeakPolarHBondContact O-CB 3.43Å; F4-L8 PolarHBondContact O-N 3.15Å; E5-L8 PolarHBondContact O-N 3.45Å; L8-L10 PolarHBondContact O-N 2.85Å; L8-L11 PolarHBondContact O-N 3.21Å; L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 3.37Å; L8-S12 PolarHBondContact O-OG 3.34Å; L8-V375 HydrophobicContact CB-CG2 4.49Å; L8-V375 HydrophobicContact CD2-CB 4.29Å; L8-V375 HydrophobicContact CD2-CG1 4.23Å; L8-V375 HydrophobicContact CD2-CG2 4.1Å; L8-V375 HydrophobicContact CG-CG2 4.21Å; L8-F378 HydrophobicContact CD2-CB 3.98Å; L8-F378 HydrophobicContact CD2-CD1 3.64Å; L8-F378 HydrophobicContact CD2-CE1 4.37Å; L8-F378 HydrophobicContact CD2-CG 3.89Å |
| 9 | R | 85.9 | Confident | 85 | Confident | 57 Ų | 57 | 76.5 Ų | 76.5 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.2 | -47 | 174.1 | -74.7 | -171.8 | 159.1 | 177.8 | -18.6 | 112.6 | E5 L11 S12 A13 V375 Y800 | E5-R9 WeakPolarHBondContact O-CG 3.37Å; E5-R9 PolarHBondContact O-N 3.4Å; E5-R9 WeakPolarHBondContact OE1-CD 3.35Å; E5-R9 IonicContact OE1-CZ 2.98Å; E5-R9 IonicContact OE1-NE 2.93Å; E5-R9 PolarHBondContact OE1-NE 3.22Å; E5-R9 IonicContact OE1-NH1 3.52Å; E5-R9 PolarHBondContact OE1-NH1 3.24Å; E5-R9 IonicContact OE1-NH2 2.67Å; R9-L11 PolarHBondContact O-N 2.85Å; R9-S12 PolarHBondContact O-N 3.07Å; R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.41Å; R9-A13 PolarHBondContact O-N 3.35Å; R9-V375 HydrophobicContact CG-CG2 3.4Å; R9-Y800 VanDerWaalsContact CZ-OH 3.28Å; R9-Y800 PolarHBondContact NE-OH 2.94Å; R9-Y800 PolarHBondContact NH2-OH 3.08Å |
| 10 | L | 89.3 | Confident | 85.3 | Confident | 93 Ų | 93 | 74.8 Ų | 74.8 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 178.6 | -72.6 | 170.8 | 0 | 0 | 0 | 112.2 | R6 H7 L8 A13 K14 | R6-L10 HydrophobicContact CG-CD1 4.21Å; R6-L10 WeakPolarHBondContact O-CB 3.13Å; R6-L10 WeakPolarHBondContact O-CG 3.2Å; R6-L10 PolarHBondContact O-N 3.06Å; H7-L10 PolarHBondContact O-N 2.85Å; L8-L10 PolarHBondContact O-N 2.85Å; L10-A13 PolarHBondContact O-N 3.31Å; L10-K14 WeakPolarHBondContact O-CG 3.35Å; L10-K14 PolarHBondContact O-N 3.33Å |
| 11 | L | 91.4 | Very high | 85.7 | Confident | 114 Ų | 114 | 78.8 Ų | 78.8 | 60% | 0.597 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.6 | -46.7 | 176.2 | -177 | 66.8 | 0 | 0 | 0 | 110.8 | H7 L8 R9 A13 K14 Y15 | H7-L11 WeakPolarHBondContact O-CB 3.45Å; H7-L11 PolarHBondContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 3.21Å; R9-L11 PolarHBondContact O-N 2.85Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 3.04Å; L11-K14 PolarHBondContact O-N 2.89Å; L11-Y15 WeakPolarHBondContact O-CB 3.11Å; L11-Y15 PolarHBondContact O-N 2.98Å |
| 12 | S | 90.6 | Very high | 87.6 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | L8 R9 Y15 A16 S374 | L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 3.37Å; L8-S12 PolarHBondContact O-OG 3.34Å; R9-S12 PolarHBondContact O-N 3.07Å; S12-Y15 PolarHBondContact O-N 3.42Å; S12-A16 VanDerWaalsContact O-CB 3.25Å; S12-A16 WeakPolarHBondContact O-CB 3.29Å; S12-A16 PolarHBondContact O-N 3.37Å; S12-S374 WeakPolarHBondContact CB-OG 3.39Å; S12-S374 WeakPolarHBondContact OG-CB 3.3Å; S12-S374 PolarHBondContact OG-OG 2.75Å |
| 13 | A | 91.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 75.5 Ų | 75.5 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R9 L10 L11 A16 R17 V367 | R9-A13 VanDerWaalsContact O-CB 3.3Å; R9-A13 WeakPolarHBondContact O-CB 3.41Å; R9-A13 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 3.31Å; L11-A13 VanDerWaalsContact C-N 3.32Å; L11-A13 PolarHBondContact O-N 3.04Å; A13-A16 PolarHBondContact O-N 3.03Å; A13-R17 PolarHBondContact O-N 2.99Å; A13-V367 HydrophobicContact CB-CG1 3.72Å |
| 14 | K | 92.9 | Very high | 89.8 | Confident | 147 Ų | 147 | 70.7 Ų | 70.7 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 174 | -73.5 | 177.4 | -177.5 | -179.4 | 0 | 111.5 | L10 L11 R17 V18 | L10-K14 WeakPolarHBondContact O-CG 3.35Å; L10-K14 PolarHBondContact O-N 3.33Å; L11-K14 PolarHBondContact O-N 2.89Å; K14-R17 PolarHBondContact O-N 3.22Å; K14-V18 PolarHBondContact O-N 2.84Å |
| 15 | Y | 93.4 | Very high | 90.6 | Very high | 72 Ų | 72 | 74.1 Ų | 74.1 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 177.6 | -177.7 | -104.1 | 0 | 0 | 0 | 111.7 | L11 S12 R17 V18 V19 F26 L418 F422 | L11-Y15 WeakPolarHBondContact O-CB 3.11Å; L11-Y15 PolarHBondContact O-N 2.98Å; S12-Y15 PolarHBondContact O-N 3.42Å; Y15-R17 VanDerWaalsContact C-N 3.28Å; Y15-R17 PolarHBondContact O-N 3.46Å; Y15-V18 WeakPolarHBondContact O-CA 3.34Å; Y15-V18 WeakPolarHBondContact O-CB 3.25Å; Y15-V18 PolarHBondContact O-N 3.2Å; Y15-V19 HydrophobicContact CD1-CG2 3.94Å; Y15-V19 HydrophobicContact CE1-CG2 3.59Å; Y15-V19 HydrophobicContact CE2-CG2 4.4Å; Y15-V19 HydrophobicContact CG-CG2 4.5Å; Y15-V19 WeakPolarHBondContact O-CG2 3.23Å; Y15-V19 PolarHBondContact O-N 3.47Å; Y15-F26 HydrophobicContact CE2-CE1 4.03Å; Y15-F26 HydrophobicContact CE2-CZ 4.36Å; Y15-F26 AromaticContact CZ-CE1 3.85Å; Y15-F26 WeakPolarHBondContact OH-CE1 3.5Å; Y15-L418 HydrophobicContact CE1-CB 4.34Å; Y15-L418 WeakPolarHBondContact CE1-O 3.33Å; Y15-L418 PolarHBondContact OH-O 2.87Å; Y15-F422 HydrophobicContact CD1-CD2 4.24Å; Y15-F422 HydrophobicContact CD1-CE2 4.33Å; Y15-F422 AromaticContact CE1-CD2 3.93Å; Y15-F422 HydrophobicContact CE1-CD2 3.93Å; Y15-F422 HydrophobicContact CE1-CE2 4.26Å |
| 16 | A | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.5 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S12 A13 V18 V19 Y20 V367 I370 | S12-A16 VanDerWaalsContact O-CB 3.25Å; S12-A16 WeakPolarHBondContact O-CB 3.29Å; S12-A16 PolarHBondContact O-N 3.37Å; A13-A16 PolarHBondContact O-N 3.03Å; A16-V18 VanDerWaalsContact C-N 3.33Å; A16-V18 PolarHBondContact O-N 2.94Å; A16-V19 PolarHBondContact O-N 3.39Å; A16-Y20 WeakPolarHBondContact O-CB 3.31Å; A16-Y20 PolarHBondContact O-N 2.84Å; A16-V367 HydrophobicContact CB-CB 4.47Å; A16-V367 HydrophobicContact CB-CG2 4.06Å; A16-I370 HydrophobicContact CB-CB 3.93Å; A16-I370 HydrophobicContact CB-CD1 4Å; A16-I370 HydrophobicContact CB-CG2 3.8Å |
| 17 | R | 93.6 | Very high | 91.7 | Very high | 113 Ų | 113 | 68 Ų | 68 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 174 | -71.4 | -178.2 | -176.8 | 160.6 | 1 | 112.6 | A13 K14 Y15 Y20 R21 V367 | A13-R17 PolarHBondContact O-N 2.99Å; K14-R17 PolarHBondContact O-N 3.22Å; Y15-R17 VanDerWaalsContact C-N 3.28Å; Y15-R17 PolarHBondContact O-N 3.46Å; R17-Y20 PolarHBondContact O-N 3.27Å; R17-R21 WeakPolarHBondContact O-CG 3.3Å; R17-R21 PolarHBondContact O-N 3.34Å; R17-R21 VanDerWaalsContact O-N 3.09Å; R17-V367 HydrophobicContact CB-CG2 4.49Å; R17-V367 HydrophobicContact CG-CG2 3.47Å; R17-V367 VanDerWaalsContact CG-CG2 3.47Å |
| 18 | V | 94 | Very high | 92 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 42% | 0.424 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | K14 Y15 A16 Y20 R21 Y22 F26 | K14-V18 PolarHBondContact O-N 2.84Å; Y15-V18 WeakPolarHBondContact O-CA 3.34Å; Y15-V18 WeakPolarHBondContact O-CB 3.25Å; Y15-V18 PolarHBondContact O-N 3.2Å; A16-V18 VanDerWaalsContact C-N 3.33Å; A16-V18 PolarHBondContact O-N 2.94Å; V18-Y20 VanDerWaalsContact C-N 3.3Å; V18-Y20 PolarHBondContact O-N 2.85Å; V18-R21 PolarHBondContact O-N 2.88Å; V18-R21 VanDerWaalsContact O-N 3.16Å; V18-Y22 HydrophobicContact CG1-CD2 4.31Å; V18-Y22 PolarHBondContact O-N 2.97Å; V18-F26 HydrophobicContact CG1-CE2 4.16Å; V18-F26 HydrophobicContact CG1-CZ 4.15Å |
| 19 | V | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | Y15 A16 R21 Y22 P23 F26 F422 V426 | Y15-V19 HydrophobicContact CD1-CG2 3.94Å; Y15-V19 HydrophobicContact CE1-CG2 3.59Å; Y15-V19 HydrophobicContact CE2-CG2 4.4Å; Y15-V19 HydrophobicContact CG-CG2 4.5Å; Y15-V19 WeakPolarHBondContact O-CG2 3.23Å; Y15-V19 PolarHBondContact O-N 3.47Å; A16-V19 PolarHBondContact O-N 3.39Å; V19-R21 VanDerWaalsContact C-N 3.32Å; V19-R21 PolarHBondContact O-N 3.13Å; V19-Y22 CarbonylContact O-C 3.58Å; V19-Y22 PolarHBondContact O-N 2.99Å; V19-P23 WeakPolarHBondContact O-CA 3.29Å; V19-P23 WeakPolarHBondContact O-CD 3.49Å; V19-P23 VanDerWaalsContact O-N 3.11Å; V19-F26 HydrophobicContact CB-CD2 4.2Å; V19-F26 HydrophobicContact CB-CE2 4.28Å; V19-F26 HydrophobicContact CG1-CB 4.3Å; V19-F26 HydrophobicContact CG1-CD2 4.08Å; V19-F26 HydrophobicContact CG1-CG 4.1Å; V19-F26 HydrophobicContact CG2-CD1 4.05Å; V19-F26 HydrophobicContact CG2-CD2 4.08Å; V19-F26 HydrophobicContact CG2-CE1 3.9Å; V19-F26 HydrophobicContact CG2-CE2 3.94Å; V19-F26 HydrophobicContact CG2-CG 4.15Å; V19-F26 HydrophobicContact CG2-CZ 3.84Å; V19-F422 HydrophobicContact CG1-CB 4.06Å; V19-V426 HydrophobicContact CG1-CG2 4.13Å |
| 20 | Y | 92.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.9 | 179.4 | -99.5 | 0 | 0 | 0 | 112.5 | A16 R17 V18 P23 V362 E363 I366 V426 R430 | A16-Y20 WeakPolarHBondContact O-CB 3.31Å; A16-Y20 PolarHBondContact O-N 2.84Å; R17-Y20 PolarHBondContact O-N 3.27Å; V18-Y20 VanDerWaalsContact C-N 3.3Å; V18-Y20 PolarHBondContact O-N 2.85Å; Y20-P23 WeakPolarHBondContact O-CD 3.37Å; Y20-V362 HydrophobicContact CE2-CG1 4.16Å; Y20-E363 HydrophobicContact CD1-CB 3.86Å; Y20-E363 HydrophobicContact CD1-CG 3.53Å; Y20-E363 HydrophobicContact CE1-CB 3.57Å; Y20-E363 HydrophobicContact CE1-CG 3.76Å; Y20-E363 HydrophobicContact CE2-CB 4.3Å; Y20-E363 HydrophobicContact CG-CB 4.33Å; Y20-E363 HydrophobicContact CG-CG 4.02Å; Y20-I366 HydrophobicContact CD2-CD1 3.58Å; Y20-I366 HydrophobicContact CE2-CD1 3.78Å; Y20-V426 HydrophobicContact CD2-CG1 3.8Å; Y20-V426 HydrophobicContact CD2-CG2 4.42Å; Y20-V426 HydrophobicContact CE2-CG1 4.38Å; Y20-R430 HydrophobicContact CE2-CG 4.43Å; Y20-R430 PolarHBondContact O-NH2 3.38Å |
| 21 | R | 93 | Very high | 93 | Very high | 160 Ų | 160 | 67 Ų | 67 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.9 | -36.7 | 179.5 | -72 | 176.1 | -175.5 | -166 | -0.7 | 112.7 | R17 V18 V19 P23 | R17-R21 WeakPolarHBondContact O-CG 3.3Å; R17-R21 PolarHBondContact O-N 3.34Å; R17-R21 VanDerWaalsContact O-N 3.09Å; V18-R21 PolarHBondContact O-N 2.88Å; V18-R21 VanDerWaalsContact O-N 3.16Å; V19-R21 VanDerWaalsContact C-N 3.32Å; V19-R21 PolarHBondContact O-N 3.13Å; R21-P23 WeakPolarHBondContact O-CD 3.44Å |
| 22 | Y | 93.6 | Very high | 93.2 | Very high | 138 Ų | 138 | 66.5 Ų | 66.5 | 54% | 0.541 | 32% | 0.316 | S | S | . | . | trans | -124.4 | 47 | -171.5 | -58.2 | -67.8 | 0 | 0 | 0 | 114.5 | V18 V19 A24 W25 F26 | V18-Y22 HydrophobicContact CG1-CD2 4.31Å; V18-Y22 PolarHBondContact O-N 2.97Å; V19-Y22 CarbonylContact O-C 3.58Å; V19-Y22 PolarHBondContact O-N 2.99Å; Y22-A24 VanDerWaalsContact C-N 3.26Å; Y22-A24 PolarHBondContact O-N 2.92Å; Y22-A24 VanDerWaalsContact O-N 3.15Å; Y22-W25 PolarHBondContact O-N 3.22Å; Y22-F26 WeakPolarHBondContact O-CD2 3.2Å | ||
| 23 | P | 92.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -28.1 | -167.4 | 27.1 | -35.8 | 0 | 0 | 0 | 113.5 | V19 Y20 R21 W25 F26 V27 V426 Y427 | V19-P23 WeakPolarHBondContact O-CA 3.29Å; V19-P23 WeakPolarHBondContact O-CD 3.49Å; V19-P23 VanDerWaalsContact O-N 3.11Å; Y20-P23 WeakPolarHBondContact O-CD 3.37Å; R21-P23 WeakPolarHBondContact O-CD 3.44Å; P23-W25 PolarHBondContact O-N 3.2Å; P23-F26 PolarHBondContact O-N 2.62Å; P23-V27 WeakPolarHBondContact O-CG2 3.46Å; P23-V27 PolarHBondContact O-N 3.02Å; P23-V426 HydrophobicContact CB-CB 4.16Å; P23-V426 HydrophobicContact CB-CG1 3.87Å; P23-V426 HydrophobicContact CG-CG1 4.02Å; P23-Y427 HydrophobicContact CB-CD2 4.28Å; P23-Y427 HydrophobicContact CB-CE2 3.75Å; P23-Y427 HydrophobicContact CG-CE1 4.41Å; P23-Y427 HydrophobicContact CG-CE2 4.19Å |
| 24 | A | 93 | Very high | 93.6 | Very high | 46 Ų | 46 | 68.1 Ų | 68.1 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y22 F26 V27 T28 Y427 | Y22-A24 VanDerWaalsContact C-N 3.26Å; Y22-A24 PolarHBondContact O-N 2.92Å; Y22-A24 VanDerWaalsContact O-N 3.15Å; A24-F26 VanDerWaalsContact C-N 3.34Å; A24-F26 PolarHBondContact O-N 2.97Å; A24-V27 PolarHBondContact O-N 3.44Å; A24-T28 WeakPolarHBondContact O-CG2 3.2Å; A24-T28 PolarHBondContact O-N 2.91Å; A24-T28 PolarHBondContact O-OG1 3.13Å; A24-T28 VanDerWaalsContact O-OG1 3.05Å; A24-Y427 WeakPolarHBondContact CA-OH 3.42Å; A24-Y427 PolarHBondContact N-OH 2.93Å |
| 25 | W | 93.7 | Very high | 93.6 | Very high | 162 Ų | 162 | 65.8 Ų | 65.8 | 61% | 0.614 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65 | -38 | 179.5 | -67.7 | 107.6 | 0 | 0 | 0 | 112.3 | Y22 P23 V27 I29 | Y22-W25 PolarHBondContact O-N 3.22Å; P23-W25 PolarHBondContact O-N 3.2Å; W25-V27 PolarHBondContact O-N 2.68Å; W25-I29 HydrophobicContact CB-CD1 4.25Å; W25-I29 HydrophobicContact CE3-CD1 4.07Å; W25-I29 HydrophobicContact CE3-CG1 4.29Å; W25-I29 WeakPolarHBondContact O-CB 3.39Å; W25-I29 VanDerWaalsContact O-CG1 3.32Å; W25-I29 WeakPolarHBondContact O-CG1 3.46Å; W25-I29 PolarHBondContact O-N 2.91Å; W25-I29 VanDerWaalsContact O-N 3.1Å |
| 26 | F | 93.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 65.1 Ų | 65.1 | 17% | 0.171 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.6 | -17.3 | 177.3 | -74.2 | -81.1 | 0 | 0 | 0 | 113.5 | Y15 V18 V19 Y22 P23 A24 P30 T419 F420 | Y15-F26 HydrophobicContact CE2-CE1 4.03Å; Y15-F26 HydrophobicContact CE2-CZ 4.36Å; Y15-F26 AromaticContact CZ-CE1 3.85Å; Y15-F26 WeakPolarHBondContact OH-CE1 3.5Å; V18-F26 HydrophobicContact CG1-CE2 4.16Å; V18-F26 HydrophobicContact CG1-CZ 4.15Å; V19-F26 HydrophobicContact CB-CD2 4.2Å; V19-F26 HydrophobicContact CB-CE2 4.28Å; V19-F26 HydrophobicContact CG1-CB 4.3Å; V19-F26 HydrophobicContact CG1-CD2 4.08Å; V19-F26 HydrophobicContact CG1-CG 4.1Å; V19-F26 HydrophobicContact CG2-CD1 4.05Å; V19-F26 HydrophobicContact CG2-CD2 4.08Å; V19-F26 HydrophobicContact CG2-CE1 3.9Å; V19-F26 HydrophobicContact CG2-CE2 3.94Å; V19-F26 HydrophobicContact CG2-CG 4.15Å; V19-F26 HydrophobicContact CG2-CZ 3.84Å; Y22-F26 WeakPolarHBondContact O-CD2 3.2Å; P23-F26 PolarHBondContact O-N 2.62Å; A24-F26 VanDerWaalsContact C-N 3.34Å; A24-F26 PolarHBondContact O-N 2.97Å; F26-P30 VanDerWaalsContact O-CD 3.23Å; F26-P30 WeakPolarHBondContact O-CD 3.47Å; F26-P30 VanDerWaalsContact O-CG 3.22Å; F26-P30 WeakPolarHBondContact O-CG 3.43Å; F26-T419 HydrophobicContact CD1-CG2 4.2Å; F26-T419 CarbonylContact O-C 3.58Å; F26-T419 VanDerWaalsContact O-C 3.31Å; F26-F420 WeakPolarHBondContact O-CA 3.35Å; F26-F420 PolarHBondContact O-N 3.3Å |
| 27 | V | 93 | Very high | 93.9 | Very high | 23 Ų | 23 | 67.3 Ų | 67.3 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -93.2 | -43.4 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | P23 A24 W25 L31 F420 L424 Y427 | P23-V27 WeakPolarHBondContact O-CG2 3.46Å; P23-V27 PolarHBondContact O-N 3.02Å; A24-V27 PolarHBondContact O-N 3.44Å; W25-V27 PolarHBondContact O-N 2.68Å; V27-L31 HydrophobicContact CG1-CD1 4.33Å; V27-L31 WeakPolarHBondContact O-CD1 3.48Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.37Å; V27-F420 HydrophobicContact CG1-CD2 4.13Å; V27-F420 HydrophobicContact CG1-CE2 3.84Å; V27-L424 HydrophobicContact CG1-CD2 4.49Å; V27-L424 HydrophobicContact CG2-CD2 4.24Å; V27-L424 HydrophobicContact CG2-CG 4.49Å; V27-Y427 HydrophobicContact CG2-CD2 4.4Å; V27-Y427 HydrophobicContact CG2-CE2 4.11Å |
| 28 | T | 93.4 | Very high | 93.9 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.7 | -40.7 | -173.7 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | A24 L31 V32 | A24-T28 WeakPolarHBondContact O-CG2 3.2Å; A24-T28 PolarHBondContact O-N 2.91Å; A24-T28 PolarHBondContact O-OG1 3.13Å; A24-T28 VanDerWaalsContact O-OG1 3.05Å; T28-L31 PolarHBondContact O-N 3.39Å; T28-V32 WeakPolarHBondContact O-CG2 3.12Å; T28-V32 PolarHBondContact O-N 3.4Å; T28-V32 VanDerWaalsContact O-N 3.14Å |
| 29 | I | 94.4 | Very high | 94 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 46% | 0.456 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | -177.6 | -66.5 | 170.3 | 0 | 0 | 0 | 111.5 | W25 L31 V32 V33 | W25-I29 HydrophobicContact CB-CD1 4.25Å; W25-I29 HydrophobicContact CE3-CD1 4.07Å; W25-I29 HydrophobicContact CE3-CG1 4.29Å; W25-I29 WeakPolarHBondContact O-CB 3.39Å; W25-I29 VanDerWaalsContact O-CG1 3.32Å; W25-I29 WeakPolarHBondContact O-CG1 3.46Å; W25-I29 PolarHBondContact O-N 2.91Å; W25-I29 VanDerWaalsContact O-N 3.1Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 3.16Å; I29-V32 PolarHBondContact O-N 3.39Å; I29-V33 HydrophobicContact CG2-CG2 4.03Å; I29-V33 WeakPolarHBondContact O-CB 3.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.32Å; I29-V33 PolarHBondContact O-N 3.29Å |
| 30 | P | 94.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.065 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 178.9 | -23.8 | 36 | 0 | 0 | 0 | 112.9 | F26 G34 Y416 T419 F420 | F26-P30 VanDerWaalsContact O-CD 3.23Å; F26-P30 WeakPolarHBondContact O-CD 3.47Å; F26-P30 VanDerWaalsContact O-CG 3.22Å; F26-P30 WeakPolarHBondContact O-CG 3.43Å; P30-G34 WeakPolarHBondContact O-CA 3.35Å; P30-G34 PolarHBondContact O-N 3.33Å; P30-Y416 HydrophobicContact CB-CD1 3.8Å; P30-Y416 HydrophobicContact CB-CE1 3.56Å; P30-Y416 WeakPolarHBondContact O-CE1 3.48Å; P30-Y416 PolarHBondContact O-OH 3.08Å; P30-T419 HydrophobicContact CG-CG2 4.47Å; P30-T419 VanDerWaalsContact CG-OG1 3.24Å; P30-T419 WeakPolarHBondContact CG-OG1 3.08Å; P30-F420 HydrophobicContact CB-CB 4.18Å; P30-F420 HydrophobicContact CG-CB 4.32Å |
| 31 | L | 94.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 175.3 | -71.2 | 173.2 | 0 | 0 | 0 | 111.7 | V27 T28 I29 G34 V35 L311 F420 | V27-L31 HydrophobicContact CG1-CD1 4.33Å; V27-L31 WeakPolarHBondContact O-CD1 3.48Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.37Å; T28-L31 PolarHBondContact O-N 3.39Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 3.16Å; L31-G34 PolarHBondContact O-N 2.96Å; L31-V35 WeakPolarHBondContact O-CG2 3.38Å; L31-V35 PolarHBondContact O-N 3.27Å; L31-V35 VanDerWaalsContact O-N 3.08Å; L31-L311 HydrophobicContact CD2-CD2 3.88Å; L31-F420 HydrophobicContact CD1-CE2 4.05Å; L31-F420 HydrophobicContact CD2-CD2 4.44Å; L31-F420 HydrophobicContact CD2-CE2 3.78Å; L31-F420 HydrophobicContact CD2-CZ 4.19Å; L31-F420 HydrophobicContact CG-CD2 4.27Å; L31-F420 HydrophobicContact CG-CE2 3.83Å |
| 32 | V | 95.1 | Very high | 93.8 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.6 | -48.3 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | T28 I29 G34 V35 A36 | T28-V32 WeakPolarHBondContact O-CG2 3.12Å; T28-V32 PolarHBondContact O-N 3.4Å; T28-V32 VanDerWaalsContact O-N 3.14Å; I29-V32 PolarHBondContact O-N 3.39Å; V32-G34 PolarHBondContact O-N 2.69Å; V32-V35 PolarHBondContact O-N 3.37Å; V32-A36 WeakPolarHBondContact O-CB 3.23Å; V32-A36 PolarHBondContact O-N 3.44Å |
| 33 | V | 94.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | I29 A36 L37 | I29-V33 HydrophobicContact CG2-CG2 4.03Å; I29-V33 WeakPolarHBondContact O-CB 3.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.32Å; I29-V33 PolarHBondContact O-N 3.29Å; V33-A36 PolarHBondContact O-N 2.86Å; V33-L37 HydrophobicContact CG1-CD1 3.75Å; V33-L37 HydrophobicContact CG1-CG 4.19Å; V33-L37 WeakPolarHBondContact O-CB 3.26Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 3.2Å |
| 34 | G | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.6 | -42 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P30 L31 V32 A36 L37 S38 S315 Y416 | P30-G34 WeakPolarHBondContact O-CA 3.35Å; P30-G34 PolarHBondContact O-N 3.33Å; L31-G34 PolarHBondContact O-N 2.96Å; V32-G34 PolarHBondContact O-N 2.69Å; G34-A36 VanDerWaalsContact C-N 3.32Å; G34-L37 PolarHBondContact O-N 3.19Å; G34-S38 WeakPolarHBondContact O-CB 3.36Å; G34-S38 PolarHBondContact O-N 3.48Å; G34-S38 PolarHBondContact O-OG 3.41Å; G34-S315 WeakPolarHBondContact CA-OG 3.41Å; G34-S315 PolarHBondContact O-OG 2.95Å; G34-Y416 WeakPolarHBondContact CA-OH 3.33Å; G34-Y416 PolarHBondContact N-OH 2.97Å; G34-Y416 VanDerWaalsContact N-OH 3.13Å |
| 35 | V | 93.5 | Very high | 93.3 | Very high | 98 Ų | 98 | 67 Ų | 67 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | L31 V32 S38 T39 | L31-V35 WeakPolarHBondContact O-CG2 3.38Å; L31-V35 PolarHBondContact O-N 3.27Å; L31-V35 VanDerWaalsContact O-N 3.08Å; V32-V35 PolarHBondContact O-N 3.37Å; V35-S38 PolarHBondContact O-N 2.94Å; V35-T39 PolarHBondContact O-N 2.87Å |
| 36 | A | 95.2 | Very high | 93.1 | Very high | 57 Ų | 57 | 65 Ų | 65 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | V32 V33 G34 T39 | V32-A36 WeakPolarHBondContact O-CB 3.23Å; V32-A36 PolarHBondContact O-N 3.44Å; V33-A36 PolarHBondContact O-N 2.86Å; G34-A36 VanDerWaalsContact C-N 3.32Å; A36-T39 PolarHBondContact O-OG1 2.89Å |
| 37 | L | 96 | Very high | 92.8 | Very high | 46 Ų | 46 | 65.3 Ų | 65.3 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.2 | -35.3 | 176.3 | -70.5 | 177.1 | 0 | 0 | 0 | 111.9 | V33 G34 T39 G40 G318 L319 | V33-L37 HydrophobicContact CG1-CD1 3.75Å; V33-L37 HydrophobicContact CG1-CG 4.19Å; V33-L37 WeakPolarHBondContact O-CB 3.26Å; V33-L37 WeakPolarHBondContact O-CG 3.38Å; V33-L37 PolarHBondContact O-N 3.2Å; G34-L37 PolarHBondContact O-N 3.19Å; L37-T39 PolarHBondContact O-N 2.83Å; L37-T39 VanDerWaalsContact O-N 3.16Å; L37-G40 PolarHBondContact O-N 2.98Å; L37-G318 VanDerWaalsContact O-CA 3.31Å; L37-G318 WeakPolarHBondContact O-CA 3.23Å; L37-L319 HydrophobicContact CD2-CD1 4.25Å |
| 38 | S | 95.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -19.4 | -179.1 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | G34 V35 G40 L41 A314 | G34-S38 WeakPolarHBondContact O-CB 3.36Å; G34-S38 PolarHBondContact O-N 3.48Å; G34-S38 PolarHBondContact O-OG 3.41Å; V35-S38 PolarHBondContact O-N 2.94Å; S38-G40 PolarHBondContact O-N 2.98Å; S38-L41 VanDerWaalsContact O-CB 3.32Å; S38-L41 WeakPolarHBondContact O-CB 3.12Å; S38-L41 WeakPolarHBondContact O-CG 3.13Å; S38-L41 PolarHBondContact O-N 3.11Å; S38-L41 VanDerWaalsContact O-N 3.12Å; S38-A314 WeakPolarHBondContact OG-CB 3.5Å |
| 39 | T | 94.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 65 Ų | 65 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -62.7 | -19.2 | 173.3 | 54.3 | 0 | 0 | 0 | 0 | 113 | V35 A36 L37 L41 L42 Y322 | V35-T39 PolarHBondContact O-N 2.87Å; A36-T39 PolarHBondContact O-OG1 2.89Å; L37-T39 PolarHBondContact O-N 2.83Å; L37-T39 VanDerWaalsContact O-N 3.16Å; T39-L41 PolarHBondContact O-N 2.99Å; T39-L42 WeakPolarHBondContact O-CB 3.46Å; T39-L42 PolarHBondContact O-N 3.23Å; T39-L42 VanDerWaalsContact O-N 3.1Å; T39-Y322 PolarHBondContact OG1-OH 2.81Å |
| 40 | G | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -60.1 | -24.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L37 S38 L42 F43 T321 Y322 | L37-G40 PolarHBondContact O-N 2.98Å; S38-G40 PolarHBondContact O-N 2.98Å; G40-L42 PolarHBondContact O-N 3.32Å; G40-L42 VanDerWaalsContact O-N 3.09Å; G40-F43 PolarHBondContact O-N 3.27Å; G40-T321 VanDerWaalsContact O-CG2 3.26Å; G40-T321 WeakPolarHBondContact O-CG2 3.37Å; G40-Y322 VanDerWaalsContact CA-CE2 3.43Å; G40-Y322 VanDerWaalsContact CA-CZ 3.44Å; G40-Y322 PolarHBondContact N-OH 2.69Å |
| 41 | L | 91.2 | Very high | 91.3 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -60.4 | -18.8 | 175 | -69.4 | 172.8 | 0 | 0 | 0 | 113.7 | S38 T39 F43 L44 A314 M317 | S38-L41 VanDerWaalsContact O-CB 3.32Å; S38-L41 WeakPolarHBondContact O-CB 3.12Å; S38-L41 WeakPolarHBondContact O-CG 3.13Å; S38-L41 PolarHBondContact O-N 3.11Å; S38-L41 VanDerWaalsContact O-N 3.12Å; T39-L41 PolarHBondContact O-N 2.99Å; L41-F43 VanDerWaalsContact C-N 3.27Å; L41-L44 WeakPolarHBondContact O-CD1 3.08Å; L41-L44 WeakPolarHBondContact O-CG 3.4Å; L41-A314 HydrophobicContact CD1-CB 4.24Å; L41-M317 HydrophobicContact CD2-CB 3.52Å; L41-M317 HydrophobicContact CD2-CE 3.88Å; L41-M317 HydrophobicContact CD2-CG 4.49Å; L41-M317 HydrophobicContact CD2-SD 4.29Å |
| 42 | L | 91.5 | Very high | 91.1 | Very high | 141 Ų | 141 | 64.1 Ų | 64.1 | 74% | 0.738 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -75.4 | -16.4 | 175.5 | -60.5 | 176.5 | 0 | 0 | 0 | 112.9 | T39 G40 | T39-L42 WeakPolarHBondContact O-CB 3.46Å; T39-L42 PolarHBondContact O-N 3.23Å; T39-L42 VanDerWaalsContact O-N 3.1Å; G40-L42 PolarHBondContact O-N 3.32Å; G40-L42 VanDerWaalsContact O-N 3.09Å |
| 43 | F | 91.9 | Very high | 90.9 | Very high | 138 Ų | 138 | 59.2 Ų | 59.2 | 61% | 0.605 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -115.1 | 28.4 | -171.7 | -56.7 | -76 | 0 | 0 | 0 | 113 | G40 L41 N45 T321 Y322 | G40-F43 PolarHBondContact O-N 3.27Å; L41-F43 VanDerWaalsContact C-N 3.27Å; F43-N45 PolarHBondContact O-N 2.79Å; F43-N45 VanDerWaalsContact O-N 3.12Å; F43-T321 HydrophobicContact CB-CG2 4.22Å; F43-T321 WeakPolarHBondContact O-CG2 3.35Å; F43-Y322 HydrophobicContact CD2-CE1 4.12Å; F43-Y322 HydrophobicContact CE2-CE1 4.47Å |
| 44 | L | 88.7 | Confident | 90.7 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | trans | -60.2 | 113.8 | -178 | -69.4 | 167.5 | 0 | 0 | 0 | 111.8 | L41 K46 T321 Y327 | L41-L44 WeakPolarHBondContact O-CD1 3.08Å; L41-L44 WeakPolarHBondContact O-CG 3.4Å; L44-K46 PolarHBondContact O-N 2.92Å; L44-T321 HydrophobicContact CD2-CG2 4.3Å; L44-T321 WeakPolarHBondContact CD2-OG1 3.42Å; L44-Y327 HydrophobicContact CD2-CD2 3.77Å; L44-Y327 HydrophobicContact CD2-CE2 4.35Å; L44-Y327 HydrophobicContact CD2-CG 3.88Å | ||
| 45 | N | 88.4 | Confident | 90.5 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | trans | -82 | 102.5 | 173.3 | -176.1 | 15.2 | 0 | 0 | 0 | 110.4 | F43 Y327 | F43-N45 PolarHBondContact O-N 2.79Å; F43-N45 VanDerWaalsContact O-N 3.12Å; N45-Y327 WeakPolarHBondContact O-CB 3.47Å; N45-Y327 PolarHBondContact O-N 3.43Å | ||
| 46 | K | 88.3 | Confident | 90.5 | Very high | 122 Ų | 122 | 52 Ų | 52 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 131.7 | -168.8 | -58.2 | 176.2 | -173.9 | 168.6 | 0 | 112.2 | L44 Y327 | L44-K46 PolarHBondContact O-N 2.92Å; K46-Y327 CarbonylContact C-O 3.6Å; K46-Y327 WeakPolarHBondContact CA-O 3.5Å; K46-Y327 HydrophobicContact CG-CD1 4.13Å |
| 47 | I | 88.3 | Confident | 90.3 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 23% | 0.226 | 27% | 0.268 | C | S | . | . | trans | -113.7 | 120.1 | 165.9 | -59.8 | -176.2 | 0 | 0 | 0 | 108.3 | Y52 L53 P326 Y327 | I47-Y52 HydrophobicContact CD1-CE1 4.21Å; I47-Y52 HydrophobicContact CG2-CD1 3.8Å; I47-Y52 HydrophobicContact CG2-CE1 4.24Å; I47-L53 HydrophobicContact CG2-CD2 4.21Å; I47-L53 HydrophobicContact CG2-CG 4.35Å; I47-P326 HydrophobicContact CD1-CB 3.39Å; I47-P326 HydrophobicContact CD1-CG 4.11Å; I47-P326 HydrophobicContact CG1-CB 3.88Å; I47-Y327 PolarHBondContact N-O 2.9Å | ||
| 48 | D | 83.2 | Confident | 90 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | trans | -114.5 | -5.7 | -175.2 | -68.7 | -33.5 | 0 | 0 | 0 | 113.8 | A50 N255 K329 | D48-A50 PolarHBondContact O-N 2.58Å; D48-A50 VanDerWaalsContact O-N 3.13Å; D48-N255 PolarHBondContact OD1-OD1 2.81Å; D48-K329 WeakPolarHBondContact OD1-CD 3.38Å; D48-K329 WeakPolarHBondContact OD1-CE 3.2Å; D48-K329 IonicContact OD1-NZ 3.71Å; D48-K329 PolarHBondContact OD1-NZ 3.39Å; D48-K329 IonicContact OD2-NZ 2.88Å; D48-K329 PolarHBondContact OD2-NZ 3.49Å | ||
| 49 | S | 87.2 | Confident | 89.7 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | trans | -66 | 114 | -176.4 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | M51 Y52 L53 | S49-M51 VanDerWaalsContact C-N 3.34Å; S49-M51 PolarHBondContact O-N 2.53Å; S49-Y52 PolarHBondContact O-N 3.31Å; S49-Y52 PolarHBondContact OG-N 3.5Å; S49-L53 WeakPolarHBondContact O-CB 3.43Å; S49-L53 VanDerWaalsContact O-CG 3.24Å; S49-L53 WeakPolarHBondContact O-CG 3.09Å; S49-L53 PolarHBondContact O-N 2.82Å | ||
| 50 | A | 85.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D48 Y52 L53 Y54 L250 D251 | D48-A50 PolarHBondContact O-N 2.58Å; D48-A50 VanDerWaalsContact O-N 3.13Å; A50-Y52 VanDerWaalsContact C-N 3.33Å; A50-Y52 PolarHBondContact O-N 3.16Å; A50-L53 PolarHBondContact O-N 2.95Å; A50-Y54 HydrophobicContact CB-CD2 4.29Å; A50-Y54 WeakPolarHBondContact O-CD2 3.47Å; A50-Y54 PolarHBondContact O-N 3.15Å; A50-L250 HydrophobicContact CB-CD2 3.72Å; A50-L250 HydrophobicContact CB-CG 4Å; A50-D251 VanDerWaalsContact CB-OD1 3.24Å; A50-D251 WeakPolarHBondContact CB-OD1 3.46Å; A50-D251 PolarHBondContact N-OD1 3.34Å |
| 51 | M | 87.4 | Confident | 89.7 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.5 | -175.2 | -175.6 | -70.3 | 0 | 0 | 110.9 | S49 T55 L65 P714 Y715 | S49-M51 VanDerWaalsContact C-N 3.34Å; S49-M51 PolarHBondContact O-N 2.53Å; M51-T55 WeakPolarHBondContact O-CB 3.26Å; M51-T55 WeakPolarHBondContact O-CG2 3.48Å; M51-T55 PolarHBondContact O-OG1 3.45Å; M51-L65 HydrophobicContact SD-CD2 4.07Å; M51-P714 HydrophobicContact CE-CG 4.48Å; M51-P714 HydrophobicContact CG-CB 4.29Å; M51-P714 HydrophobicContact SD-CG 4.36Å; M51-Y715 HydrophobicContact CE-CE2 4.31Å |
| 52 | Y | 90.6 | Very high | 89.8 | Confident | 103 Ų | 103 | 54.4 Ų | 54.4 | 40% | 0.404 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -46.8 | 178.2 | 178 | -101.3 | 0 | 0 | 0 | 112 | I47 S49 A50 P397 | I47-Y52 HydrophobicContact CD1-CE1 4.21Å; I47-Y52 HydrophobicContact CG2-CD1 3.8Å; I47-Y52 HydrophobicContact CG2-CE1 4.24Å; S49-Y52 PolarHBondContact O-N 3.31Å; S49-Y52 PolarHBondContact OG-N 3.5Å; A50-Y52 VanDerWaalsContact C-N 3.33Å; A50-Y52 PolarHBondContact O-N 3.16Å; Y52-P397 HydrophobicContact CD1-CB 4.24Å; Y52-P397 HydrophobicContact CE1-CB 3.79Å; Y52-P397 HydrophobicContact CE1-CG 4.24Å; Y52-P397 WeakPolarHBondContact O-CG 3.16Å |
| 53 | L | 90.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.3 | -41.4 | -170.6 | -70.8 | 171.6 | 0 | 0 | 0 | 113.9 | I47 S49 A50 N328 A398 I401 | I47-L53 HydrophobicContact CG2-CD2 4.21Å; I47-L53 HydrophobicContact CG2-CG 4.35Å; S49-L53 WeakPolarHBondContact O-CB 3.43Å; S49-L53 VanDerWaalsContact O-CG 3.24Å; S49-L53 WeakPolarHBondContact O-CG 3.09Å; S49-L53 PolarHBondContact O-N 2.82Å; A50-L53 PolarHBondContact O-N 2.95Å; L53-N328 HydrophobicContact CD1-CB 4.26Å; L53-N328 HydrophobicContact CD2-CB 3.88Å; L53-A398 HydrophobicContact CB-CB 4.19Å; L53-A398 WeakPolarHBondContact O-CB 3.1Å; L53-A398 PolarHBondContact O-N 3.29Å; L53-I401 HydrophobicContact CD2-CD1 4.06Å |
| 54 | Y | 90.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -105.4 | 1 | -168.6 | -61.5 | -80.6 | 0 | 0 | 0 | 114.8 | A50 L254 V330 F396 A398 L543 L548 Q718 T778 V779 | A50-Y54 HydrophobicContact CB-CD2 4.29Å; A50-Y54 WeakPolarHBondContact O-CD2 3.47Å; A50-Y54 PolarHBondContact O-N 3.15Å; Y54-L254 HydrophobicContact CE2-CD1 4.48Å; Y54-L254 HydrophobicContact CE2-CD2 3.67Å; Y54-V330 HydrophobicContact CE1-CG2 4.42Å; Y54-V330 WeakPolarHBondContact OH-CG2 3.14Å; Y54-F396 WeakPolarHBondContact O-CE1 3.48Å; Y54-A398 HydrophobicContact CD1-CB 4.29Å; Y54-A398 HydrophobicContact CE1-CB 4.23Å; Y54-L543 HydrophobicContact CD1-CD2 4.46Å; Y54-L548 HydrophobicContact CD1-CD2 4.09Å; Y54-L548 HydrophobicContact CD2-CD1 4Å; Y54-L548 HydrophobicContact CE1-CD2 3.69Å; Y54-L548 HydrophobicContact CE2-CD1 4.2Å; Y54-L548 HydrophobicContact CE2-CD2 4.19Å; Y54-L548 HydrophobicContact CG-CD1 4.21Å; Y54-L548 HydrophobicContact CG-CD2 4.48Å; Y54-Q718 VanDerWaalsContact O-CD 3.26Å; Y54-Q718 PolarHBondContact O-NE2 2.65Å; Y54-T778 HydrophobicContact CD1-CG2 4.14Å; Y54-V779 HydrophobicContact CE1-CG2 4.42Å |
| 55 | T | 91.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -115.5 | 149.8 | 176.8 | 73.8 | 0 | 0 | 0 | 0 | 110.6 | M51 K62 P714 Y715 | M51-T55 WeakPolarHBondContact O-CB 3.26Å; M51-T55 WeakPolarHBondContact O-CG2 3.48Å; M51-T55 PolarHBondContact O-OG1 3.45Å; T55-K62 PolarHBondContact O-NZ 3.18Å; T55-K62 WeakPolarHBondContact OG1-CE 3.23Å; T55-K62 PolarHBondContact OG1-NZ 3.46Å; T55-K62 VanDerWaalsContact OG1-NZ 3.08Å; T55-P714 WeakPolarHBondContact CB-O 3.08Å; T55-P714 HydrophobicContact CG2-CB 4.19Å; T55-P714 WeakPolarHBondContact CG2-O 3.21Å; T55-Y715 HydrophobicContact CG2-CD1 3.91Å; T55-Y715 HydrophobicContact CG2-CE1 4.21Å; T55-Y715 HydrophobicContact CG2-CG 4.43Å |
| 56 | P | 92.6 | Very high | 90.6 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | trans | -58.7 | 142.6 | -173.7 | 21.5 | -32.7 | 0 | 0 | 0 | 112.6 | N58 G59 K62 D395 D717 A721 | P56-N58 VanDerWaalsContact C-N 3.33Å; P56-N58 PolarHBondContact O-N 3.35Å; P56-G59 PolarHBondContact O-N 3.25Å; P56-K62 WeakPolarHBondContact O-CD 3.27Å; P56-K62 WeakPolarHBondContact O-CE 3.49Å; P56-K62 PolarHBondContact O-NZ 2.82Å; P56-D395 CarbonylContact C-O 3.59Å; P56-D395 VanDerWaalsContact CA-O 3.31Å; P56-D395 WeakPolarHBondContact CA-O 3.19Å; P56-D395 HydrophobicContact CB-CB 4.1Å; P56-D717 HydrophobicContact CG-CB 4.09Å; P56-A721 HydrophobicContact CB-CB 4.19Å; P56-A721 HydrophobicContact CG-CB 4.13Å | ||
| 57 | V | 91.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 38% | 0.376 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -47.6 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | D395 P397 | V57-D395 WeakPolarHBondContact CG2-O 3.14Å; V57-D395 PolarHBondContact N-O 3.44Å; V57-P397 HydrophobicContact CG2-CG 3.57Å |
| 58 | N | 89.2 | Confident | 91.2 | Very high | 142 Ų | 142 | 38.2 Ų | 38.2 | 76% | 0.759 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 27.4 | 179.8 | -64.1 | -34.5 | 0 | 0 | 0 | 113 | P56 A60 | P56-N58 VanDerWaalsContact C-N 3.33Å; P56-N58 PolarHBondContact O-N 3.35Å; N58-A60 PolarHBondContact O-N 2.88Å |
| 59 | G | 90.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | trans | -60.3 | 134.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P56 G61 K62 Y63 | P56-G59 PolarHBondContact O-N 3.25Å; G59-G61 PolarHBondContact O-N 2.75Å; G59-K62 WeakPolarHBondContact O-CB 3.48Å; G59-K62 PolarHBondContact O-N 3.16Å; G59-Y63 PolarHBondContact O-N 2.84Å | ||
| 60 | A | 93.5 | Very high | 91.8 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57 | -34.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N58 K62 Y63 E64 D717 | N58-A60 PolarHBondContact O-N 2.88Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 3.17Å; A60-Y63 WeakPolarHBondContact O-CB 3.4Å; A60-Y63 PolarHBondContact O-N 2.81Å; A60-Y63 VanDerWaalsContact O-N 3.13Å; A60-E64 WeakPolarHBondContact O-CB 3.5Å; A60-E64 WeakPolarHBondContact O-CG 3.49Å; A60-E64 PolarHBondContact O-N 3.11Å; A60-D717 PolarHBondContact N-OD2 3.4Å; A60-D717 VanDerWaalsContact N-OD2 3.14Å |
| 61 | G | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -34 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G59 E64 L65 R695 F709 D717 | G59-G61 PolarHBondContact O-N 2.75Å; G61-E64 WeakPolarHBondContact CA-OE2 3.37Å; G61-E64 PolarHBondContact N-OE2 3.1Å; G61-L65 VanDerWaalsContact O-CB 3.31Å; G61-L65 WeakPolarHBondContact O-CB 3.42Å; G61-L65 PolarHBondContact O-N 3.3Å; G61-R695 VanDerWaalsContact N-NH2 3.2Å; G61-F709 WeakPolarHBondContact O-CE2 3.41Å; G61-D717 WeakPolarHBondContact CA-OD2 3.49Å; G61-D717 PolarHBondContact N-OD2 2.82Å |
| 62 | K | 93.4 | Very high | 92.3 | Very high | 44 Ų | 44 | 42 Ų | 42 | 19% | 0.191 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.7 | -38.8 | 174.7 | -71 | -178.1 | 178.9 | 159.6 | 0 | 111.3 | T55 P56 G59 A60 L65 A66 | T55-K62 PolarHBondContact O-NZ 3.18Å; T55-K62 WeakPolarHBondContact OG1-CE 3.23Å; T55-K62 PolarHBondContact OG1-NZ 3.46Å; T55-K62 VanDerWaalsContact OG1-NZ 3.08Å; P56-K62 WeakPolarHBondContact O-CD 3.27Å; P56-K62 WeakPolarHBondContact O-CE 3.49Å; P56-K62 PolarHBondContact O-NZ 2.82Å; G59-K62 WeakPolarHBondContact O-CB 3.48Å; G59-K62 PolarHBondContact O-N 3.16Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 3.17Å; K62-L65 PolarHBondContact O-N 2.84Å; K62-A66 WeakPolarHBondContact O-CB 3.34Å; K62-A66 PolarHBondContact O-N 2.91Å |
| 63 | Y | 94.2 | Very high | 92.1 | Very high | 151 Ų | 151 | 40.8 Ų | 40.8 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.2 | -47.2 | 173.1 | 172.2 | -97 | 0 | 0 | 0 | 111.1 | G59 A60 L65 A66 V67 | G59-Y63 PolarHBondContact O-N 2.84Å; A60-Y63 WeakPolarHBondContact O-CB 3.4Å; A60-Y63 PolarHBondContact O-N 2.81Å; A60-Y63 VanDerWaalsContact O-N 3.13Å; Y63-L65 VanDerWaalsContact C-N 3.34Å; Y63-L65 PolarHBondContact O-N 3.46Å; Y63-A66 WeakPolarHBondContact O-CB 3.44Å; Y63-A66 PolarHBondContact O-N 2.87Å; Y63-A66 VanDerWaalsContact O-N 3.09Å; Y63-V67 HydrophobicContact CD1-CG2 4.38Å; Y63-V67 HydrophobicContact CE1-CG2 3.91Å; Y63-V67 HydrophobicContact CE2-CG2 4.36Å; Y63-V67 WeakPolarHBondContact O-CG2 3.24Å; Y63-V67 PolarHBondContact O-N 3.46Å |
| 64 | E | 95.4 | Very high | 91.4 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.6 | -68.8 | 158.4 | 154 | 0 | 0 | 110.5 | A60 G61 A66 V67 F68 R695 T707 F709 | A60-E64 WeakPolarHBondContact O-CB 3.5Å; A60-E64 WeakPolarHBondContact O-CG 3.49Å; A60-E64 PolarHBondContact O-N 3.11Å; G61-E64 WeakPolarHBondContact CA-OE2 3.37Å; G61-E64 PolarHBondContact N-OE2 3.1Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 2.86Å; E64-V67 WeakPolarHBondContact O-CB 3.5Å; E64-V67 PolarHBondContact O-N 3.16Å; E64-F68 WeakPolarHBondContact O-CD2 3.43Å; E64-F68 PolarHBondContact O-N 3.5Å; E64-F68 VanDerWaalsContact O-N 3.15Å; E64-R695 IonicContact OE1-CZ 2.86Å; E64-R695 IonicContact OE1-NE 3.37Å; E64-R695 PolarHBondContact OE1-NE 3.37Å; E64-R695 IonicContact OE1-NH2 3.16Å; E64-R695 IonicContact OE2-CZ 3.52Å; E64-R695 IonicContact OE2-NE 3.85Å; E64-R695 PolarHBondContact OE2-NE 3.21Å; E64-R695 IonicContact OE2-NH2 2.89Å; E64-R695 PolarHBondContact OE2-NH2 3.38Å; E64-T707 HydrophobicContact CB-CG2 3.79Å; E64-T707 HydrophobicContact CG-CG2 3.67Å; E64-F709 HydrophobicContact CB-CB 4.43Å; E64-F709 HydrophobicContact CB-CD2 3.81Å |
| 65 | L | 94 | Very high | 90.6 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 172.5 | 176.9 | 59.6 | 0 | 0 | 0 | 112.3 | M51 G61 K62 Y63 V67 F68 Q69 Y85 T86 F709 | M51-L65 HydrophobicContact SD-CD2 4.07Å; G61-L65 VanDerWaalsContact O-CB 3.31Å; G61-L65 WeakPolarHBondContact O-CB 3.42Å; G61-L65 PolarHBondContact O-N 3.3Å; K62-L65 PolarHBondContact O-N 2.84Å; Y63-L65 VanDerWaalsContact C-N 3.34Å; Y63-L65 PolarHBondContact O-N 3.46Å; L65-V67 VanDerWaalsContact C-N 3.32Å; L65-V67 PolarHBondContact O-N 3.28Å; L65-F68 PolarHBondContact O-N 3.47Å; L65-Q69 HydrophobicContact CD1-CG 4.2Å; L65-Q69 HydrophobicContact CG-CG 4.41Å; L65-Q69 WeakPolarHBondContact O-CG 3.47Å; L65-Q69 PolarHBondContact O-N 2.74Å; L65-Y85 HydrophobicContact CD1-CD2 3.62Å; L65-Y85 HydrophobicContact CD1-CE2 3.76Å; L65-T86 HydrophobicContact CD1-CG2 3.82Å; L65-F709 HydrophobicContact CB-CD2 4.38Å; L65-F709 HydrophobicContact CB-CE1 4.49Å; L65-F709 HydrophobicContact CB-CE2 3.65Å; L65-F709 HydrophobicContact CB-CZ 3.72Å; L65-F709 HydrophobicContact CD1-CE1 3.81Å; L65-F709 HydrophobicContact CD1-CE2 4.44Å; L65-F709 HydrophobicContact CD1-CZ 3.64Å; L65-F709 HydrophobicContact CG-CZ 4.14Å |
| 66 | A | 94.1 | Very high | 89.3 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K62 Y63 E64 Q69 S70 | K62-A66 WeakPolarHBondContact O-CB 3.34Å; K62-A66 PolarHBondContact O-N 2.91Å; Y63-A66 WeakPolarHBondContact O-CB 3.44Å; Y63-A66 PolarHBondContact O-N 2.87Å; Y63-A66 VanDerWaalsContact O-N 3.09Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 2.86Å; A66-Q69 PolarHBondContact O-N 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.37Å; A66-S70 PolarHBondContact O-N 2.91Å |
| 67 | V | 94.3 | Very high | 88.1 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 172.4 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | Y63 E64 L65 Q69 S70 L71 T707 | Y63-V67 HydrophobicContact CD1-CG2 4.38Å; Y63-V67 HydrophobicContact CE1-CG2 3.91Å; Y63-V67 HydrophobicContact CE2-CG2 4.36Å; Y63-V67 WeakPolarHBondContact O-CG2 3.24Å; Y63-V67 PolarHBondContact O-N 3.46Å; E64-V67 WeakPolarHBondContact O-CB 3.5Å; E64-V67 PolarHBondContact O-N 3.16Å; L65-V67 VanDerWaalsContact C-N 3.32Å; L65-V67 PolarHBondContact O-N 3.28Å; V67-Q69 VanDerWaalsContact C-N 3.34Å; V67-Q69 PolarHBondContact O-N 3Å; V67-S70 PolarHBondContact O-N 2.86Å; V67-S70 PolarHBondContact O-OG 3.34Å; V67-L71 HydrophobicContact CG1-CD1 3.94Å; V67-L71 PolarHBondContact O-N 3.17Å; V67-T707 HydrophobicContact CB-CG2 4.22Å; V67-T707 HydrophobicContact CG1-CG2 4.26Å |
| 68 | F | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 177 | -86.5 | -91.5 | 0 | 0 | 0 | 112.6 | E64 L65 S70 L71 W72 Y85 Q574 A576 T707 F709 | E64-F68 WeakPolarHBondContact O-CD2 3.43Å; E64-F68 PolarHBondContact O-N 3.5Å; E64-F68 VanDerWaalsContact O-N 3.15Å; L65-F68 PolarHBondContact O-N 3.47Å; F68-S70 VanDerWaalsContact C-N 3.34Å; F68-S70 PolarHBondContact O-N 3.16Å; F68-L71 PolarHBondContact O-N 2.93Å; F68-W72 AromaticContact CD1-CE3 3.76Å; F68-W72 HydrophobicContact CD1-CE3 3.76Å; F68-W72 AromaticContact CD1-CZ3 3.97Å; F68-W72 HydrophobicContact CD1-CZ3 3.97Å; F68-W72 HydrophobicContact CE1-CE3 4.22Å; F68-W72 HydrophobicContact CE1-CZ3 4.05Å; F68-W72 HydrophobicContact CG-CE3 4.48Å; F68-W72 CarbonylContact O-C 3.6Å; F68-W72 WeakPolarHBondContact O-CA 3.32Å; F68-W72 PolarHBondContact O-N 2.93Å; F68-Y85 HydrophobicContact CB-CD1 4.24Å; F68-Y85 HydrophobicContact CB-CD2 4.18Å; F68-Y85 HydrophobicContact CB-CE1 4.23Å; F68-Y85 HydrophobicContact CB-CE2 4.19Å; F68-Y85 HydrophobicContact CB-CG 4.21Å; F68-Y85 HydrophobicContact CD1-CD1 4.16Å; F68-Y85 HydrophobicContact CD1-CG 4.44Å; F68-Q574 HydrophobicContact CE1-CB 3.56Å; F68-Q574 HydrophobicContact CZ-CB 3.63Å; F68-A576 HydrophobicContact CE1-CB 4.15Å; F68-A576 HydrophobicContact CE2-CB 3.97Å; F68-A576 HydrophobicContact CZ-CB 3.68Å; F68-T707 HydrophobicContact CE2-CG2 4.22Å; F68-F709 HydrophobicContact CD2-CB 3.55Å; F68-F709 HydrophobicContact CD2-CD1 4.36Å; F68-F709 HydrophobicContact CD2-CG 4.09Å; F68-F709 HydrophobicContact CE2-CB 3.29Å; F68-F709 HydrophobicContact CE2-CG 4.3Å; F68-F709 HydrophobicContact CG-CB 4.46Å; F68-F709 HydrophobicContact CZ-CB 4.03Å |
| 69 | Q | 92.2 | Very high | 85.8 | Confident | 73 Ų | 73 | 45.8 Ų | 45.8 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -34.2 | 175 | -72.7 | 175.2 | -18.7 | 0 | 0 | 113.3 | L65 A66 V67 P73 Y85 | L65-Q69 HydrophobicContact CD1-CG 4.2Å; L65-Q69 HydrophobicContact CG-CG 4.41Å; L65-Q69 WeakPolarHBondContact O-CG 3.47Å; L65-Q69 PolarHBondContact O-N 2.74Å; A66-Q69 PolarHBondContact O-N 3.25Å; V67-Q69 VanDerWaalsContact C-N 3.34Å; V67-Q69 PolarHBondContact O-N 3Å; Q69-P73 WeakPolarHBondContact O-CA 3.24Å; Q69-Y85 VanDerWaalsContact CA-OH 3.32Å; Q69-Y85 WeakPolarHBondContact CA-OH 3.45Å; Q69-Y85 HydrophobicContact CG-CE2 3.82Å |
| 70 | S | 92.6 | Very high | 85 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 61% | 0.608 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -72.7 | -37.8 | 178.1 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | A66 V67 F68 | A66-S70 WeakPolarHBondContact O-CB 3.37Å; A66-S70 PolarHBondContact O-N 2.91Å; V67-S70 PolarHBondContact O-N 2.86Å; V67-S70 PolarHBondContact O-OG 3.34Å; F68-S70 VanDerWaalsContact C-N 3.34Å; F68-S70 PolarHBondContact O-N 3.16Å |
| 71 | L | 91.9 | Very high | 83.8 | Confident | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -84.8 | -45.9 | -177.5 | -70.6 | 176.5 | 0 | 0 | 0 | 111.5 | V67 F68 P73 A576 I659 A671 | V67-L71 HydrophobicContact CG1-CD1 3.94Å; V67-L71 PolarHBondContact O-N 3.17Å; F68-L71 PolarHBondContact O-N 2.93Å; L71-P73 WeakPolarHBondContact O-CD 3.39Å; L71-A576 HydrophobicContact CD1-CB 4.41Å; L71-I659 HydrophobicContact CB-CD1 3.65Å; L71-I659 HydrophobicContact CD2-CD1 3.96Å; L71-I659 HydrophobicContact CG-CD1 4.36Å; L71-I659 WeakPolarHBondContact O-CD1 3.48Å; L71-A671 HydrophobicContact CD1-CB 4.36Å; L71-A671 HydrophobicContact CD2-CB 4.12Å |
| 72 | W | 90.5 | Very high | 83 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -122.2 | 78 | 179.6 | -61.8 | -83.7 | 0 | 0 | 0 | 110.3 | F68 E74 Y85 A576 K656 I659 R673 | F68-W72 AromaticContact CD1-CE3 3.76Å; F68-W72 HydrophobicContact CD1-CE3 3.76Å; F68-W72 AromaticContact CD1-CZ3 3.97Å; F68-W72 HydrophobicContact CD1-CZ3 3.97Å; F68-W72 HydrophobicContact CE1-CE3 4.22Å; F68-W72 HydrophobicContact CE1-CZ3 4.05Å; F68-W72 HydrophobicContact CG-CE3 4.48Å; F68-W72 CarbonylContact O-C 3.6Å; F68-W72 WeakPolarHBondContact O-CA 3.32Å; F68-W72 PolarHBondContact O-N 2.93Å; W72-E74 PolarHBondContact O-N 3.39Å; W72-Y85 HydrophobicContact CB-CE1 4.17Å; W72-Y85 WeakPolarHBondContact O-CE1 3.43Å; W72-Y85 PolarHBondContact O-OH 3.48Å; W72-A576 HydrophobicContact CH2-CB 3.8Å; W72-A576 HydrophobicContact CZ3-CB 3.62Å; W72-K656 VanDerWaalsContact CD1-O 3.24Å; W72-K656 PolarHBondContact NE1-O 3.17Å; W72-K656 VanDerWaalsContact NE1-O 3.07Å; W72-I659 HydrophobicContact CD2-CD1 4.25Å; W72-I659 HydrophobicContact CZ2-CD1 3.95Å; W72-I659 HydrophobicContact CZ2-CG1 4.38Å; W72-R673 HydrophobicContact CH2-CB 3.59Å; W72-R673 HydrophobicContact CH2-CG 4.06Å; W72-R673 HydrophobicContact CZ2-CB 3.68Å; W72-R673 HydrophobicContact CZ2-CG 3.66Å; W72-R673 HydrophobicContact CZ3-CB 4.19Å |
| 73 | P | 86 | Confident | 82.4 | Confident | 78 Ų | 78 | 45.9 Ų | 45.9 | 51% | 0.506 | 25% | 0.25 | S | C | . | . | trans | -52.4 | 135.9 | 175.1 | -25.6 | 33.7 | 0 | 0 | 0 | 111.3 | Q69 L71 K75 | Q69-P73 WeakPolarHBondContact O-CA 3.24Å; L71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-K75 PolarHBondContact O-N 2.98Å | ||
| 74 | E | 76.3 | Confident | 81.8 | Confident | 43 Ų | 43 | 40.9 Ų | 40.9 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | trans | -68.9 | 100.9 | 178.6 | -60.3 | 175.7 | 157.1 | 0 | 0 | 109.5 | W72 Y85 T86 K88 F212 | W72-E74 PolarHBondContact O-N 3.39Å; E74-Y85 HydrophobicContact CG-CE1 4.44Å; E74-Y85 HydrophobicContact CG-CE2 3.99Å; E74-Y85 WeakPolarHBondContact CG-OH 3.31Å; E74-Y85 VanDerWaalsContact OE1-CE2 3.23Å; E74-Y85 WeakPolarHBondContact OE1-CE2 3.31Å; E74-T86 VanDerWaalsContact CD-OG1 3.28Å; E74-T86 WeakPolarHBondContact OE1-CB 3.47Å; E74-T86 WeakPolarHBondContact OE1-CG2 3.47Å; E74-T86 PolarHBondContact OE1-OG1 3.27Å; E74-K88 WeakPolarHBondContact OE2-CD 3.45Å; E74-K88 WeakPolarHBondContact OE2-CE 3.14Å; E74-K88 IonicContact OE2-NZ 3.73Å; E74-K88 PolarHBondContact OE2-NZ 3.01Å; E74-F212 HydrophobicContact CB-CE2 4.31Å; E74-F212 HydrophobicContact CB-CZ 4.27Å | ||
| 75 | K | 73.2 | Confident | 81.3 | Confident | 135 Ų | 135 | 40.8 Ų | 40.8 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | trans | -112.6 | 152.9 | 168.3 | -57.8 | -178 | -179.6 | -179.3 | 0 | 109 | P73 D77 | P73-K75 PolarHBondContact O-N 2.98Å; K75-D77 VanDerWaalsContact C-N 3.32Å; K75-D77 WeakPolarHBondContact CB-OD1 3.29Å; K75-D77 WeakPolarHBondContact CD-OD1 3.34Å | ||
| 76 | S | 64.5 | Low | 80.9 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -75.8 | -22.4 | 174.4 | 62.8 | 0 | 0 | 0 | 0 | 113 | G78 E211 S213 | S76-G78 PolarHBondContact O-N 3.46Å; S76-E211 WeakPolarHBondContact CB-OE1 3.01Å; S76-E211 WeakPolarHBondContact CB-OE2 3.24Å; S76-E211 PolarHBondContact OG-OE1 2.84Å; S76-E211 PolarHBondContact OG-OE2 3.06Å; S76-S213 PolarHBondContact OG-OG 3.12Å |
| 77 | D | 66.9 | Low | 80.4 | Confident | 104 Ų | 104 | 39.9 Ų | 39.9 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 119.6 | -172.3 | 66.5 | -29.6 | 0 | 0 | 0 | 110.9 | K75 | K75-D77 VanDerWaalsContact C-N 3.32Å; K75-D77 WeakPolarHBondContact CB-OD1 3.29Å; K75-D77 WeakPolarHBondContact CD-OD1 3.34Å |
| 78 | G | 63.7 | Low | 80 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | S76 A80 K140 K656 | S76-G78 PolarHBondContact O-N 3.46Å; G78-A80 PolarHBondContact O-N 3.22Å; G78-K140 PolarHBondContact N-O 3Å; G78-K656 VanDerWaalsContact C-NZ 3.32Å; G78-K656 WeakPolarHBondContact O-CD 3.43Å; G78-K656 WeakPolarHBondContact O-CE 3.33Å; G78-K656 PolarHBondContact O-NZ 3.37Å |
| 79 | F | 68.2 | Low | 79.7 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | trans | -45.5 | 134.5 | 171.9 | 177.4 | -94.6 | 0 | 0 | 0 | 114.5 | P81 M84 Q90 A139 Y146 V207 P209 | F79-P81 HydrophobicContact CD1-CG 4.36Å; F79-P81 HydrophobicContact CE1-CB 3.66Å; F79-P81 HydrophobicContact CE1-CG 3.49Å; F79-P81 VanDerWaalsContact CE1-CG 3.49Å; F79-P81 HydrophobicContact CZ-CB 3.69Å; F79-P81 HydrophobicContact CZ-CG 4.08Å; F79-M84 HydrophobicContact CD2-CG 4.28Å; F79-M84 HydrophobicContact CD2-SD 3.46Å; F79-M84 WeakPolarHBondContact CD2-SD 3.3Å; F79-M84 HydrophobicContact CE2-CG 4Å; F79-M84 HydrophobicContact CE2-SD 3.12Å; F79-M84 WeakPolarHBondContact CE2-SD 3.03Å; F79-M84 HydrophobicContact CZ-SD 4.27Å; F79-Q90 HydrophobicContact CE2-CG 4.13Å; F79-Q90 VanDerWaalsContact CE2-NE2 3.28Å; F79-A139 HydrophobicContact CB-CB 4.09Å; F79-Y146 HydrophobicContact CD1-CG 4.28Å; F79-Y146 HydrophobicContact CE1-CD1 4.21Å; F79-Y146 HydrophobicContact CE1-CD2 4.49Å; F79-Y146 HydrophobicContact CE1-CG 4.05Å; F79-V207 HydrophobicContact CZ-CG1 4.13Å; F79-P209 HydrophobicContact CD1-CB 3.93Å; F79-P209 HydrophobicContact CD1-CG 3.56Å; F79-P209 HydrophobicContact CD2-CB 3.45Å; F79-P209 VanDerWaalsContact CD2-CB 3.45Å; F79-P209 HydrophobicContact CD2-CG 4.06Å; F79-P209 HydrophobicContact CE1-CB 3.75Å; F79-P209 HydrophobicContact CE1-CG 3.41Å; F79-P209 VanDerWaalsContact CE1-CG 3.41Å; F79-P209 HydrophobicContact CE2-CB 3.22Å; F79-P209 HydrophobicContact CE2-CG 3.9Å; F79-P209 HydrophobicContact CG-CB 3.79Å; F79-P209 HydrophobicContact CG-CG 3.88Å; F79-P209 HydrophobicContact CZ-CB 3.4Å; F79-P209 VanDerWaalsContact CZ-CB 3.4Å; F79-P209 HydrophobicContact CZ-CG 3.6Å | ||
| 80 | A | 72.6 | Confident | 79.7 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | trans | -135.4 | 114.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G78 S82 R83 M84 | G78-A80 PolarHBondContact O-N 3.22Å; A80-S82 VanDerWaalsContact C-N 3.34Å; A80-S82 PolarHBondContact O-N 3.31Å; A80-R83 HydrophobicContact CB-CB 3.99Å; A80-R83 HydrophobicContact CB-CG 4.03Å; A80-R83 PolarHBondContact O-N 2.84Å; A80-M84 PolarHBondContact O-N 2.99Å | ||
| 81 | P | 69.8 | Low | 79.8 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -61 | -38.1 | -168.4 | 2.1 | -5.2 | 0 | 0 | 0 | 113.9 | F79 R83 Y146 | F79-P81 HydrophobicContact CD1-CG 4.36Å; F79-P81 HydrophobicContact CE1-CB 3.66Å; F79-P81 HydrophobicContact CE1-CG 3.49Å; F79-P81 VanDerWaalsContact CE1-CG 3.49Å; F79-P81 HydrophobicContact CZ-CB 3.69Å; F79-P81 HydrophobicContact CZ-CG 4.08Å; P81-R83 PolarHBondContact O-N 2.91Å; P81-Y146 HydrophobicContact CG-CD1 4.42Å; P81-Y146 HydrophobicContact CG-CD2 4.2Å; P81-Y146 HydrophobicContact CG-CE1 3.89Å; P81-Y146 HydrophobicContact CG-CE2 3.64Å; P81-Y146 VanDerWaalsContact CG-CZ 3.47Å |
| 82 | S | 74.6 | Confident | 79.9 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -71.5 | -14.8 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | A80 L675 | A80-S82 VanDerWaalsContact C-N 3.34Å; A80-S82 PolarHBondContact O-N 3.31Å; S82-L675 WeakPolarHBondContact O-CD2 3.24Å |
| 83 | R | 81.4 | Confident | 80.1 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -105.1 | -2.7 | -174 | -62.8 | -60.2 | -176.8 | -90.1 | -4.1 | 113.9 | A80 P81 Q574 E612 D657 R673 L675 | A80-R83 HydrophobicContact CB-CB 3.99Å; A80-R83 HydrophobicContact CB-CG 4.03Å; A80-R83 PolarHBondContact O-N 2.84Å; P81-R83 PolarHBondContact O-N 2.91Å; R83-Q574 VanDerWaalsContact C-NE2 3.35Å; R83-Q574 PolarHBondContact O-NE2 3.35Å; R83-E612 IonicContact CZ-OE1 2.72Å; R83-E612 IonicContact CZ-OE2 2.7Å; R83-E612 IonicContact NH1-OE1 3.15Å; R83-E612 PolarHBondContact NH1-OE1 3.35Å; R83-E612 VanDerWaalsContact NH1-OE1 3.16Å; R83-E612 IonicContact NH1-OE2 3.29Å; R83-E612 PolarHBondContact NH1-OE2 3.01Å; R83-E612 VanDerWaalsContact NH2-CD 3.35Å; R83-E612 IonicContact NH2-OE1 3.83Å; R83-E612 PolarHBondContact NH2-OE1 3.35Å; R83-E612 IonicContact NH2-OE2 2.96Å; R83-D657 WeakPolarHBondContact CD-OD1 3.4Å; R83-D657 IonicContact CZ-OD2 3.57Å; R83-D657 IonicContact NE-OD1 3.76Å; R83-D657 PolarHBondContact NE-OD1 3.43Å; R83-D657 IonicContact NE-OD2 3.77Å; R83-D657 PolarHBondContact NE-OD2 3.48Å; R83-D657 IonicContact NH2-OD2 3.67Å; R83-R673 PolarHBondContact O-NH1 3.37Å; R83-L675 VanDerWaalsContact CD-CD1 3.41Å; R83-L675 VanDerWaalsContact NH1-CD1 3.32Å; R83-L675 VanDerWaalsContact NH1-CD2 3.31Å |
| 84 | M | 82.2 | Confident | 80.5 | Confident | 46 Ų | 46 | 30.6 Ų | 30.6 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | trans | -76 | 129.1 | 170.7 | -69.4 | -157.7 | 65.2 | 0 | 0 | 110.6 | F79 A80 K88 Q90 Q574 | F79-M84 HydrophobicContact CD2-CG 4.28Å; F79-M84 HydrophobicContact CD2-SD 3.46Å; F79-M84 WeakPolarHBondContact CD2-SD 3.3Å; F79-M84 HydrophobicContact CE2-CG 4Å; F79-M84 HydrophobicContact CE2-SD 3.12Å; F79-M84 WeakPolarHBondContact CE2-SD 3.03Å; F79-M84 HydrophobicContact CZ-SD 4.27Å; A80-M84 PolarHBondContact O-N 2.99Å; M84-K88 WeakPolarHBondContact CE-O 3.41Å; M84-Q90 HydrophobicContact CE-CG 4.28Å; M84-Q90 HydrophobicContact SD-CG 3.86Å; M84-Q90 PolarHBondContact SD-NE2 3.09Å; M84-Q574 VanDerWaalsContact C-NE2 3.31Å; M84-Q574 PolarHBondContact O-NE2 2.9Å | ||
| 85 | Y | 85.1 | Confident | 81.4 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 6% | 0.055 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -98 | -13.7 | 177.9 | 54.9 | -97.2 | 0 | 0 | 0 | 112.4 | L65 F68 Q69 W72 E74 F709 | L65-Y85 HydrophobicContact CD1-CD2 3.62Å; L65-Y85 HydrophobicContact CD1-CE2 3.76Å; F68-Y85 HydrophobicContact CB-CD1 4.24Å; F68-Y85 HydrophobicContact CB-CD2 4.18Å; F68-Y85 HydrophobicContact CB-CE1 4.23Å; F68-Y85 HydrophobicContact CB-CE2 4.19Å; F68-Y85 HydrophobicContact CB-CG 4.21Å; F68-Y85 HydrophobicContact CD1-CD1 4.16Å; F68-Y85 HydrophobicContact CD1-CG 4.44Å; Q69-Y85 VanDerWaalsContact CA-OH 3.32Å; Q69-Y85 WeakPolarHBondContact CA-OH 3.45Å; Q69-Y85 HydrophobicContact CG-CE2 3.82Å; W72-Y85 HydrophobicContact CB-CE1 4.17Å; W72-Y85 WeakPolarHBondContact O-CE1 3.43Å; W72-Y85 PolarHBondContact O-OH 3.48Å; E74-Y85 HydrophobicContact CG-CE1 4.44Å; E74-Y85 HydrophobicContact CG-CE2 3.99Å; E74-Y85 WeakPolarHBondContact CG-OH 3.31Å; E74-Y85 VanDerWaalsContact OE1-CE2 3.23Å; E74-Y85 WeakPolarHBondContact OE1-CE2 3.31Å; Y85-F709 HydrophobicContact CD2-CE1 4.25Å; Y85-F709 WeakPolarHBondContact O-CE1 3.34Å |
| 86 | T | 85.1 | Confident | 82.4 | Confident | 19 Ų | 19 | 22.4 Ų | 22.4 | 12% | 0.117 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -118.5 | 169.4 | 165.2 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | L65 E74 K88 Q90 | L65-T86 HydrophobicContact CD1-CG2 3.82Å; E74-T86 VanDerWaalsContact CD-OG1 3.28Å; E74-T86 WeakPolarHBondContact OE1-CB 3.47Å; E74-T86 WeakPolarHBondContact OE1-CG2 3.47Å; E74-T86 PolarHBondContact OE1-OG1 3.27Å; T86-K88 VanDerWaalsContact C-N 3.32Å; T86-K88 PolarHBondContact OG1-N 3.44Å; T86-Q90 PolarHBondContact O-OE1 3.03Å |
| 87 | S | 84 | Confident | 83.8 | Confident | 25 Ų | 25 | 22.4 Ų | 22.4 | 18% | 0.175 | 13% | 0.125 | C | C | . | . | trans | -88.5 | 4.8 | 177.3 | -49 | 0 | 0 | 0 | 0 | 113.1 | G89 Q90 D247 | S87-G89 PolarHBondContact O-N 3.38Å; S87-Q90 WeakPolarHBondContact O-CB 3.45Å; S87-Q90 PolarHBondContact O-N 2.77Å; S87-D247 WeakPolarHBondContact O-CB 3.47Å | ||
| 88 | K | 85.5 | Confident | 84.9 | Confident | 97 Ų | 97 | 23 Ų | 23 | 42% | 0.422 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 133 | -169.5 | -72.3 | -163.8 | -160.6 | 152.7 | 0 | 112.2 | E74 M84 T86 Q90 | E74-K88 WeakPolarHBondContact OE2-CD 3.45Å; E74-K88 WeakPolarHBondContact OE2-CE 3.14Å; E74-K88 IonicContact OE2-NZ 3.73Å; E74-K88 PolarHBondContact OE2-NZ 3.01Å; M84-K88 WeakPolarHBondContact CE-O 3.41Å; T86-K88 VanDerWaalsContact C-N 3.32Å; T86-K88 PolarHBondContact OG1-N 3.44Å; K88-Q90 PolarHBondContact O-N 3.04Å |
| 89 | G | 88.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 15.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S87 P209 L210 D247 | S87-G89 PolarHBondContact O-N 3.38Å; G89-P209 CarbonylContact O-C 3.57Å; G89-L210 WeakPolarHBondContact O-CB 3.12Å; G89-L210 PolarHBondContact O-N 3.49Å; G89-D247 PolarHBondContact N-OD2 2.81Å |
| 90 | Q | 90.9 | Very high | 86.9 | Confident | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.9 | 177.4 | -60.8 | 179.9 | -51.4 | 0 | 0 | 110.8 | F79 M84 T86 S87 K88 F92 H246 D247 | F79-Q90 HydrophobicContact CE2-CG 4.13Å; F79-Q90 VanDerWaalsContact CE2-NE2 3.28Å; M84-Q90 HydrophobicContact CE-CG 4.28Å; M84-Q90 HydrophobicContact SD-CG 3.86Å; M84-Q90 PolarHBondContact SD-NE2 3.09Å; T86-Q90 PolarHBondContact O-OE1 3.03Å; S87-Q90 WeakPolarHBondContact O-CB 3.45Å; S87-Q90 PolarHBondContact O-N 2.77Å; K88-Q90 PolarHBondContact O-N 3.04Å; Q90-F92 HydrophobicContact CB-CD2 4.19Å; Q90-F92 HydrophobicContact CB-CE2 3.49Å; Q90-F92 VanDerWaalsContact CB-CE2 3.49Å; Q90-F92 HydrophobicContact CB-CZ 3.79Å; Q90-F92 HydrophobicContact CG-CE2 4.49Å; Q90-F92 HydrophobicContact CG-CZ 4.4Å; Q90-H246 WeakPolarHBondContact O-CA 3.44Å; Q90-D247 PolarHBondContact O-N 3.32Å |
| 91 | C | 94.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.9 | 163.7 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | V207 Y208 W224 Q225 F228 F245 | C91-V207 CarbonylContact O-C 3.56Å; C91-V207 WeakPolarHBondContact O-CA 3.44Å; C91-Y208 PolarHBondContact N-O 2.92Å; C91-Y208 PolarHBondContact O-N 2.8Å; C91-W224 HydrophobicContact CB-CZ3 4.21Å; C91-Q225 VanDerWaalsContact SG-CG 3.59Å; C91-F228 HydrophobicContact CB-CD1 3.81Å; C91-F228 HydrophobicContact CB-CE1 3.54Å; C91-F228 HydrophobicContact CB-CG 4.41Å; C91-F228 HydrophobicContact CB-CZ 3.94Å; C91-F245 CarbonylContact C-O 3.52Å |
| 92 | F | 94.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.044 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.3 | -178.2 | -64.2 | -87.2 | 0 | 0 | 0 | 109.7 | Q90 M205 L206 V207 F245 Y558 | Q90-F92 HydrophobicContact CB-CD2 4.19Å; Q90-F92 HydrophobicContact CB-CE2 3.49Å; Q90-F92 VanDerWaalsContact CB-CE2 3.49Å; Q90-F92 HydrophobicContact CB-CZ 3.79Å; Q90-F92 HydrophobicContact CG-CE2 4.49Å; Q90-F92 HydrophobicContact CG-CZ 4.4Å; F92-M205 HydrophobicContact CD1-CG 3.87Å; F92-M205 HydrophobicContact CD1-SD 3.51Å; F92-M205 VanDerWaalsContact CD1-SD 3.51Å; F92-M205 HydrophobicContact CE1-SD 3.82Å; F92-L206 WeakPolarHBondContact CA-O 3.41Å; F92-V207 HydrophobicContact CD1-CB 4.4Å; F92-V207 HydrophobicContact CD1-CG1 4.17Å; F92-V207 HydrophobicContact CD1-CG2 3.76Å; F92-V207 HydrophobicContact CE1-CB 4.37Å; F92-V207 HydrophobicContact CE1-CG1 3.82Å; F92-V207 HydrophobicContact CE1-CG2 3.71Å; F92-V207 HydrophobicContact CZ-CG1 4.38Å; F92-F245 HydrophobicContact CB-CB 4.24Å; F92-F245 HydrophobicContact CB-CD1 4.5Å; F92-F245 AromaticContact CD2-CD1 3.68Å; F92-F245 HydrophobicContact CD2-CD1 3.68Å; F92-F245 HydrophobicContact CD2-CE1 4.33Å; F92-F245 HydrophobicContact CE2-CD1 4.31Å; F92-F245 HydrophobicContact CG-CD1 4.42Å; F92-F245 PolarHBondContact N-O 3.16Å; F92-F245 PolarHBondContact O-N 2.86Å; F92-Y558 HydrophobicContact CB-CE2 4.18Å |
| 93 | L | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 110.1 | 170.5 | -171.1 | 70.7 | 0 | 0 | 0 | 108.6 | V95 V115 L206 Y208 F228 M232 L242 V244 | L93-V95 HydrophobicContact CD2-CG2 4.25Å; L93-V95 HydrophobicContact CG-CG2 4.19Å; L93-V115 HydrophobicContact CD2-CG1 3.5Å; L93-V115 VanDerWaalsContact CD2-CG1 3.5Å; L93-L206 HydrophobicContact CB-CB 4.24Å; L93-L206 HydrophobicContact CD2-CD1 4.25Å; L93-L206 PolarHBondContact N-O 2.94Å; L93-L206 PolarHBondContact O-N 3.24Å; L93-Y208 HydrophobicContact CB-CE2 4.17Å; L93-F228 HydrophobicContact CB-CZ 4.42Å; L93-M232 HydrophobicContact CD1-CB 4.28Å; L93-M232 HydrophobicContact CD1-CE 3.86Å; L93-M232 HydrophobicContact CD2-CE 3.68Å; L93-M232 HydrophobicContact CG-CE 4.45Å; L93-L242 HydrophobicContact CD1-CB 4.03Å; L93-L242 HydrophobicContact CD1-CD1 4.5Å; L93-L242 HydrophobicContact CD2-CD2 4.26Å; L93-L242 HydrophobicContact CG-CD2 4.4Å; L93-V244 HydrophobicContact CD1-CG2 3.93Å |
| 94 | Y | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 112.5 | 177.8 | -152.5 | -105.1 | 0 | 0 | 0 | 109.7 | T96 S187 A203 M205 S243 K561 M562 Y565 | Y94-T96 HydrophobicContact CD1-CG2 4.18Å; Y94-T96 HydrophobicContact CE1-CG2 4.16Å; Y94-S187 WeakPolarHBondContact OH-CB 3.32Å; Y94-S187 PolarHBondContact OH-OG 3.31Å; Y94-S187 VanDerWaalsContact OH-OG 3.11Å; Y94-A203 HydrophobicContact CD1-CB 4.37Å; Y94-A203 HydrophobicContact CE1-CB 3.48Å; Y94-A203 VanDerWaalsContact CE1-CB 3.48Å; Y94-A203 HydrophobicContact CE2-CB 4.47Å; Y94-A203 WeakPolarHBondContact OH-CB 3.26Å; Y94-M205 HydrophobicContact CD2-CB 3.73Å; Y94-M205 HydrophobicContact CD2-CE 3.78Å; Y94-M205 HydrophobicContact CD2-CG 4.14Å; Y94-M205 HydrophobicContact CE2-CB 3.92Å; Y94-M205 HydrophobicContact CE2-CE 3.85Å; Y94-S243 PolarHBondContact N-O 2.79Å; Y94-S243 PolarHBondContact O-N 2.77Å; Y94-K561 HydrophobicContact CD1-CB 3.67Å; Y94-K561 HydrophobicContact CD1-CD 4.1Å; Y94-K561 HydrophobicContact CE1-CB 3.78Å; Y94-M562 HydrophobicContact CD2-SD 3.9Å; Y94-M562 HydrophobicContact CE2-SD 3.58Å; Y94-M562 VanDerWaalsContact CE2-SD 3.58Å; Y94-Y565 HydrophobicContact CE1-CD2 4.31Å |
| 95 | V | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.4 | -173.6 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | L93 I112 A203 W204 L206 L240 L242 | L93-V95 HydrophobicContact CD2-CG2 4.25Å; L93-V95 HydrophobicContact CG-CG2 4.19Å; V95-I112 HydrophobicContact CG1-CG1 3.97Å; V95-A203 CarbonylContact O-C 3.33Å; V95-A203 VanDerWaalsContact O-CA 3.24Å; V95-A203 WeakPolarHBondContact O-CA 3.37Å; V95-W204 PolarHBondContact N-O 3.07Å; V95-W204 PolarHBondContact O-N 3.4Å; V95-L206 HydrophobicContact CG2-CD1 4.25Å; V95-L206 HydrophobicContact CG2-CG 4.3Å; V95-L240 HydrophobicContact CG1-CB 4.19Å; V95-L240 HydrophobicContact CG1-CD1 3.94Å; V95-L240 HydrophobicContact CG1-CD2 3.78Å; V95-L240 HydrophobicContact CG1-CG 4.19Å; V95-L242 HydrophobicContact CB-CD2 4.23Å; V95-L242 HydrophobicContact CG1-CD2 3.89Å; V95-L242 HydrophobicContact CG2-CD2 3.8Å |
| 96 | T | 94.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | Y94 A203 S241 K561 Y565 | Y94-T96 HydrophobicContact CD1-CG2 4.18Å; Y94-T96 HydrophobicContact CE1-CG2 4.16Å; T96-A203 HydrophobicContact CG2-CB 3.67Å; T96-S241 PolarHBondContact N-O 2.88Å; T96-S241 PolarHBondContact O-N 2.99Å; T96-S241 PolarHBondContact OG1-O 3.21Å; T96-S241 VanDerWaalsContact OG1-O 3.07Å; T96-K561 HydrophobicContact CG2-CD 3.99Å; T96-K561 WeakPolarHBondContact OG1-CE 3.33Å; T96-K561 PolarHBondContact OG1-NZ 2.92Å; T96-Y565 HydrophobicContact CG2-CD2 4.28Å; T96-Y565 HydrophobicContact CG2-CE2 4.06Å |
| 97 | A | 93.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D99 G100 I103 M108 | A97-D99 VanDerWaalsContact C-N 3.27Å; A97-D99 WeakPolarHBondContact CB-OD1 3.31Å; A97-D99 PolarHBondContact O-N 3.11Å; A97-G100 PolarHBondContact O-N 2.97Å; A97-I103 HydrophobicContact CB-CG2 3.86Å; A97-I103 VanDerWaalsContact N-CG2 3.31Å; A97-M108 HydrophobicContact CB-CE 3.75Å; A97-M108 HydrophobicContact CB-SD 4.16Å |
| 98 | K | 90.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 35.7 Ų | 35.7 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.3 | -179.8 | -87.1 | -179.7 | 168.7 | -179.3 | 0 | 113.3 | G100 D237 P238 L239 L240 | K98-G100 PolarHBondContact O-N 3.14Å; K98-D237 WeakPolarHBondContact CE-O 3.48Å; K98-D237 PolarHBondContact NZ-O 3.05Å; K98-P238 WeakPolarHBondContact CD-O 3.29Å; K98-L239 WeakPolarHBondContact CB-O 3.12Å; K98-L239 PolarHBondContact N-O 2.94Å; K98-L240 WeakPolarHBondContact CE-O 3.29Å |
| 99 | D | 88.7 | Confident | 91.1 | Very high | 127 Ų | 127 | 31.1 Ų | 31.1 | 68% | 0.679 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -4.6 | 175.1 | 64.8 | -12.4 | 0 | 0 | 0 | 113.1 | A97 G101 | A97-D99 VanDerWaalsContact C-N 3.27Å; A97-D99 WeakPolarHBondContact CB-OD1 3.31Å; A97-D99 PolarHBondContact O-N 3.11Å; D99-G101 PolarHBondContact O-N 2.83Å; D99-G101 WeakPolarHBondContact OD1-CA 3.25Å; D99-G101 PolarHBondContact OD1-N 3.04Å |
| 100 | G | 84.7 | Confident | 91.3 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 37% | 0.371 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 72.1 | 12.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | A97 K98 | A97-G100 PolarHBondContact O-N 2.97Å; K98-G100 PolarHBondContact O-N 3.14Å |
| 101 | G | 88.9 | Confident | 91.4 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | trans | -83.5 | -154.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D99 | D99-G101 PolarHBondContact O-N 2.83Å; D99-G101 WeakPolarHBondContact OD1-CA 3.25Å; D99-G101 PolarHBondContact OD1-N 3.04Å | ||
| 102 | N | 90.9 | Very high | 91.4 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | trans | -84 | 118.8 | -175.2 | -176.8 | 15.6 | 0 | 0 | 0 | 111.5 | F104 T105 S200 A201 | N102-F104 VanDerWaalsContact C-N 3.28Å; N102-F104 WeakPolarHBondContact OD1-CA 3.43Å; N102-F104 WeakPolarHBondContact OD1-CB 3.09Å; N102-F104 PolarHBondContact OD1-N 3.14Å; N102-T105 HydrophobicContact CB-CG2 4.37Å; N102-S200 WeakPolarHBondContact ND2-CB 3.42Å; N102-S200 VanDerWaalsContact OD1-CA 3.23Å; N102-S200 WeakPolarHBondContact OD1-CA 3.35Å; N102-S200 VanDerWaalsContact OD1-CB 3.25Å; N102-S200 WeakPolarHBondContact OD1-CB 3.24Å; N102-A201 CarbonylContact C-O 3.55Å; N102-A201 WeakPolarHBondContact CA-O 3.21Å; N102-A201 PolarHBondContact OD1-N 3.12Å; N102-A201 PolarHBondContact OD1-O 2.92Å; N102-A201 VanDerWaalsContact OD1-O 3.13Å | ||
| 103 | I | 89.9 | Confident | 91.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.3 | 174.2 | 59.2 | 149.7 | 0 | 0 | 0 | 113.5 | A97 T105 M108 I112 L186 A201 W204 | A97-I103 HydrophobicContact CB-CG2 3.86Å; A97-I103 VanDerWaalsContact N-CG2 3.31Å; I103-T105 VanDerWaalsContact C-N 3.28Å; I103-T105 PolarHBondContact O-N 2.93Å; I103-M108 VanDerWaalsContact O-CB 3.26Å; I103-M108 WeakPolarHBondContact O-CB 3.26Å; I103-I112 HydrophobicContact CB-CD1 4.42Å; I103-I112 HydrophobicContact CD1-CD1 4.47Å; I103-L186 HydrophobicContact CD1-CD1 4.11Å; I103-A201 HydrophobicContact CD1-CB 4.25Å; I103-A201 HydrophobicContact CG1-CB 3.94Å; I103-A201 WeakPolarHBondContact CG1-O 3.45Å; I103-A201 PolarHBondContact N-O 3.36Å; I103-W204 HydrophobicContact CD1-CB 3.57Å; I103-W204 HydrophobicContact CD1-CE3 4.18Å |
| 104 | F | 86.7 | Confident | 91.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 9.8 | -176.4 | -143.5 | -119.6 | 0 | 0 | 0 | 112.8 | N102 I154 R158 L168 L186 I198 A201 W204 | N102-F104 VanDerWaalsContact C-N 3.28Å; N102-F104 WeakPolarHBondContact OD1-CA 3.43Å; N102-F104 WeakPolarHBondContact OD1-CB 3.09Å; N102-F104 PolarHBondContact OD1-N 3.14Å; F104-I154 HydrophobicContact CD2-CG2 4.49Å; F104-I154 HydrophobicContact CE1-CG2 4.44Å; F104-I154 HydrophobicContact CE2-CG2 3.46Å; F104-I154 VanDerWaalsContact CE2-CG2 3.46Å; F104-I154 HydrophobicContact CZ-CG2 3.4Å; F104-I154 VanDerWaalsContact CZ-CG2 3.4Å; F104-R158 PolarHBondContact O-NE 2.95Å; F104-R158 PolarHBondContact O-NH1 3.44Å; F104-R158 PolarHBondContact O-NH2 2.97Å; F104-L168 HydrophobicContact CE1-CD1 4.15Å; F104-L168 HydrophobicContact CZ-CD1 4.16Å; F104-L186 HydrophobicContact CE2-CD2 4.31Å; F104-I198 HydrophobicContact CD1-CG2 3.86Å; F104-I198 HydrophobicContact CD2-CG2 4.5Å; F104-I198 HydrophobicContact CE1-CB 4.19Å; F104-I198 HydrophobicContact CE1-CG2 3.74Å; F104-I198 HydrophobicContact CE2-CG2 4.33Å; F104-I198 HydrophobicContact CG-CG2 4.3Å; F104-I198 HydrophobicContact CZ-CB 4.41Å; F104-I198 HydrophobicContact CZ-CG2 3.98Å; F104-A201 HydrophobicContact CD2-CB 4.47Å; F104-W204 HydrophobicContact CD2-CZ3 4.39Å; F104-W204 HydrophobicContact CE2-CZ3 4.2Å |
| 105 | T | 89 | Confident | 91.5 | Very high | 48 Ų | 48 | 42.4 Ų | 42.4 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -78.9 | 157.1 | 174.7 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | N102 I103 E107 M108 L109 | N102-T105 HydrophobicContact CB-CG2 4.37Å; I103-T105 VanDerWaalsContact C-N 3.28Å; I103-T105 PolarHBondContact O-N 2.93Å; T105-E107 VanDerWaalsContact C-N 3.3Å; T105-E107 PolarHBondContact O-N 3.42Å; T105-M108 PolarHBondContact O-N 3.49Å; T105-M108 WeakPolarHBondContact OG1-CB 3.42Å; T105-M108 WeakPolarHBondContact OG1-CG 3.01Å; T105-M108 PolarHBondContact OG1-N 2.99Å; T105-L109 WeakPolarHBondContact O-CB 3.45Å; T105-L109 WeakPolarHBondContact O-CG 3Å; T105-L109 PolarHBondContact O-N 3.15Å |
| 106 | D | 88.3 | Confident | 91.5 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 38% | 0.38 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -37.8 | -176.8 | -65.1 | -36.3 | 0 | 0 | 0 | 112.6 | Q110 R158 | D106-Q110 WeakPolarHBondContact O-CB 3.43Å; D106-Q110 WeakPolarHBondContact O-CG 3.42Å; D106-Q110 PolarHBondContact O-N 3.3Å; D106-R158 WeakPolarHBondContact OD1-CD 3.4Å; D106-R158 IonicContact OD1-NE 3.2Å; D106-R158 PolarHBondContact OD1-NE 3.35Å |
| 107 | E | 90.9 | Very high | 91.6 | Very high | 137 Ų | 137 | 43.8 Ų | 43.8 | 64% | 0.64 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.8 | -46.2 | 175.2 | -64.4 | 178.8 | -179 | 0 | 0 | 111.6 | T105 Q110 A111 | T105-E107 VanDerWaalsContact C-N 3.3Å; T105-E107 PolarHBondContact O-N 3.42Å; E107-Q110 PolarHBondContact O-N 3.37Å; E107-A111 PolarHBondContact O-N 2.97Å |
| 108 | M | 91.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -42.6 | 178.4 | -69.7 | -73.1 | 178.7 | 0 | 0 | 111.5 | A97 I103 T105 Q110 A111 I112 L239 L240 | A97-M108 HydrophobicContact CB-CE 3.75Å; A97-M108 HydrophobicContact CB-SD 4.16Å; I103-M108 VanDerWaalsContact O-CB 3.26Å; I103-M108 WeakPolarHBondContact O-CB 3.26Å; T105-M108 PolarHBondContact O-N 3.49Å; T105-M108 WeakPolarHBondContact OG1-CB 3.42Å; T105-M108 WeakPolarHBondContact OG1-CG 3.01Å; T105-M108 PolarHBondContact OG1-N 2.99Å; M108-Q110 VanDerWaalsContact C-N 3.32Å; M108-Q110 PolarHBondContact O-N 3.01Å; M108-A111 WeakPolarHBondContact O-CB 3.46Å; M108-A111 PolarHBondContact O-N 3.39Å; M108-I112 VanDerWaalsContact O-CG1 3.24Å; M108-I112 WeakPolarHBondContact O-CG1 3.29Å; M108-I112 PolarHBondContact O-N 2.85Å; M108-L239 HydrophobicContact CE-CB 3.98Å; M108-L239 HydrophobicContact CE-CD2 4.47Å; M108-L239 HydrophobicContact SD-CB 3.91Å; M108-L240 HydrophobicContact SD-CD2 3.68Å |
| 109 | L | 92 | Very high | 92 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 176 | -70.8 | 172.6 | 0 | 0 | 0 | 111.7 | T105 I112 V113 W204 | T105-L109 WeakPolarHBondContact O-CB 3.45Å; T105-L109 WeakPolarHBondContact O-CG 3Å; T105-L109 PolarHBondContact O-N 3.15Å; L109-I112 PolarHBondContact O-N 2.86Å; L109-V113 WeakPolarHBondContact O-CG2 2.92Å; L109-V113 PolarHBondContact O-N 2.88Å; L109-W204 HydrophobicContact CD2-CE3 4.46Å; L109-W204 HydrophobicContact CD2-CZ3 3.78Å |
| 110 | Q | 92.7 | Very high | 92.2 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 172.7 | -74.9 | 176 | 34.1 | 0 | 0 | 111.9 | D106 E107 M108 V113 K114 | D106-Q110 WeakPolarHBondContact O-CB 3.43Å; D106-Q110 WeakPolarHBondContact O-CG 3.42Å; D106-Q110 PolarHBondContact O-N 3.3Å; E107-Q110 PolarHBondContact O-N 3.37Å; M108-Q110 VanDerWaalsContact C-N 3.32Å; M108-Q110 PolarHBondContact O-N 3.01Å; Q110-V113 PolarHBondContact O-N 3.33Å; Q110-K114 WeakPolarHBondContact O-CB 3.28Å; Q110-K114 PolarHBondContact O-N 2.91Å |
| 111 | A | 93.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E107 M108 V113 K114 V115 L239 L240 | E107-A111 PolarHBondContact O-N 2.97Å; M108-A111 WeakPolarHBondContact O-CB 3.46Å; M108-A111 PolarHBondContact O-N 3.39Å; A111-V113 PolarHBondContact O-N 2.77Å; A111-K114 WeakPolarHBondContact O-CB 3.48Å; A111-K114 PolarHBondContact O-N 3.2Å; A111-V115 WeakPolarHBondContact O-CG2 3.43Å; A111-V115 PolarHBondContact O-N 2.87Å; A111-L239 HydrophobicContact CB-CD1 4.46Å; A111-L240 HydrophobicContact CB-CD1 3.66Å; A111-L240 HydrophobicContact CB-CD2 4.35Å; A111-L240 HydrophobicContact CB-CG 3.93Å |
| 112 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177 | -66.1 | 164.1 | 0 | 0 | 0 | 110.7 | V95 I103 M108 L109 K114 V115 N116 V151 W204 L206 L240 | V95-I112 HydrophobicContact CG1-CG1 3.97Å; I103-I112 HydrophobicContact CB-CD1 4.42Å; I103-I112 HydrophobicContact CD1-CD1 4.47Å; M108-I112 VanDerWaalsContact O-CG1 3.24Å; M108-I112 WeakPolarHBondContact O-CG1 3.29Å; M108-I112 PolarHBondContact O-N 2.85Å; L109-I112 PolarHBondContact O-N 2.86Å; I112-K114 VanDerWaalsContact C-N 3.33Å; I112-K114 PolarHBondContact O-N 3.49Å; I112-V115 PolarHBondContact O-N 3.49Å; I112-N116 WeakPolarHBondContact O-CB 3.42Å; I112-N116 PolarHBondContact O-N 3.16Å; I112-V151 HydrophobicContact CB-CG1 4.48Å; I112-V151 HydrophobicContact CG2-CG1 3.72Å; I112-V151 HydrophobicContact CG2-CG2 4.36Å; I112-W204 HydrophobicContact CD1-CE3 4.41Å; I112-L206 HydrophobicContact CG2-CD1 4.29Å; I112-L206 HydrophobicContact CG2-CD2 4.33Å; I112-L240 HydrophobicContact CG1-CD1 4.14Å; I112-L240 HydrophobicContact CG1-CD2 4.25Å |
| 113 | V | 94.7 | Very high | 93.1 | Very high | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.1 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | L109 Q110 A111 V115 N116 S117 V151 K155 | L109-V113 WeakPolarHBondContact O-CG2 2.92Å; L109-V113 PolarHBondContact O-N 2.88Å; Q110-V113 PolarHBondContact O-N 3.33Å; A111-V113 PolarHBondContact O-N 2.77Å; V113-V115 VanDerWaalsContact C-N 3.34Å; V113-V115 PolarHBondContact O-N 3.37Å; V113-N116 PolarHBondContact O-N 3.37Å; V113-S117 PolarHBondContact O-N 2.85Å; V113-S117 PolarHBondContact O-OG 2.81Å; V113-V151 HydrophobicContact CG2-CG1 3.58Å; V113-K155 HydrophobicContact CG2-CD 3.75Å |
| 114 | K | 94.7 | Very high | 93.4 | Very high | 132 Ų | 132 | 45 Ų | 45 | 57% | 0.574 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.8 | -43.8 | 177.8 | -178.3 | -171.9 | 175.7 | -167.2 | 0 | 111.7 | Q110 A111 I112 Y118 | Q110-K114 WeakPolarHBondContact O-CB 3.28Å; Q110-K114 PolarHBondContact O-N 2.91Å; A111-K114 WeakPolarHBondContact O-CB 3.48Å; A111-K114 PolarHBondContact O-N 3.2Å; I112-K114 VanDerWaalsContact C-N 3.33Å; I112-K114 PolarHBondContact O-N 3.49Å; K114-Y118 WeakPolarHBondContact O-CB 3.07Å; K114-Y118 PolarHBondContact O-N 3.46Å |
| 115 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L93 A111 I112 V113 Y118 V119 M232 Y235 L240 L242 | L93-V115 HydrophobicContact CD2-CG1 3.5Å; L93-V115 VanDerWaalsContact CD2-CG1 3.5Å; A111-V115 WeakPolarHBondContact O-CG2 3.43Å; A111-V115 PolarHBondContact O-N 2.87Å; I112-V115 PolarHBondContact O-N 3.49Å; V113-V115 VanDerWaalsContact C-N 3.34Å; V113-V115 PolarHBondContact O-N 3.37Å; V115-Y118 WeakPolarHBondContact O-CB 3.42Å; V115-Y118 PolarHBondContact O-N 2.81Å; V115-V119 PolarHBondContact O-N 2.77Å; V115-M232 HydrophobicContact CG1-CE 3.87Å; V115-Y235 HydrophobicContact CG2-CE1 3.74Å; V115-L240 HydrophobicContact CG2-CD1 3.89Å; V115-L242 HydrophobicContact CG1-CD1 4.14Å; V115-L242 HydrophobicContact CG1-CD2 4.46Å |
| 116 | N | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.7 | -172.6 | 50.5 | 0 | 0 | 0 | 111.8 | I112 V113 Y118 V119 I120 L147 N148 H152 L206 Y208 | I112-N116 WeakPolarHBondContact O-CB 3.42Å; I112-N116 PolarHBondContact O-N 3.16Å; V113-N116 PolarHBondContact O-N 3.37Å; N116-Y118 VanDerWaalsContact C-N 3.29Å; N116-Y118 PolarHBondContact O-N 2.83Å; N116-V119 PolarHBondContact O-N 2.94Å; N116-I120 WeakPolarHBondContact O-CD1 3.38Å; N116-I120 WeakPolarHBondContact O-CG1 3.46Å; N116-I120 PolarHBondContact O-N 2.85Å; N116-I120 VanDerWaalsContact O-N 3.13Å; N116-L147 PolarHBondContact ND2-O 3.03Å; N116-N148 PolarHBondContact OD1-ND2 2.97Å; N116-N148 VanDerWaalsContact OD1-ND2 3.15Å; N116-H152 PolarHBondContact ND2-NE2 2.94Å; N116-L206 HydrophobicContact CB-CD1 4.28Å; N116-Y208 WeakPolarHBondContact OD1-CE1 3.33Å; N116-Y208 PolarHBondContact OD1-OH 3.3Å |
| 117 | S | 95.4 | Very high | 93.9 | Very high | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -37.7 | 175.1 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | V113 V119 I120 E121 | V113-S117 PolarHBondContact O-N 2.85Å; V113-S117 PolarHBondContact O-OG 2.81Å; S117-V119 PolarHBondContact O-N 2.94Å; S117-I120 PolarHBondContact O-N 2.88Å; S117-E121 VanDerWaalsContact O-CB 3.29Å; S117-E121 WeakPolarHBondContact O-CB 3.09Å; S117-E121 WeakPolarHBondContact O-CG 3.34Å; S117-E121 PolarHBondContact O-N 3.49Å |
| 118 | Y | 95.9 | Very high | 93.7 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.4 | 178.7 | -93.1 | 0 | 0 | 0 | 112 | K114 V115 N116 I120 K122 I123 M232 Y235 | K114-Y118 WeakPolarHBondContact O-CB 3.07Å; K114-Y118 PolarHBondContact O-N 3.46Å; V115-Y118 WeakPolarHBondContact O-CB 3.42Å; V115-Y118 PolarHBondContact O-N 2.81Å; N116-Y118 VanDerWaalsContact C-N 3.29Å; N116-Y118 PolarHBondContact O-N 2.83Å; Y118-I120 VanDerWaalsContact C-N 3.34Å; Y118-I120 PolarHBondContact O-N 2.87Å; Y118-K122 HydrophobicContact CD2-CB 3.79Å; Y118-K122 HydrophobicContact CD2-CG 3.66Å; Y118-K122 HydrophobicContact CE2-CB 3.8Å; Y118-K122 HydrophobicContact CE2-CG 4.01Å; Y118-K122 HydrophobicContact CG-CB 4.31Å; Y118-K122 HydrophobicContact CG-CG 4.37Å; Y118-K122 WeakPolarHBondContact O-CA 3.36Å; Y118-K122 VanDerWaalsContact O-CB 3.26Å; Y118-K122 WeakPolarHBondContact O-CB 3.38Å; Y118-K122 PolarHBondContact O-N 2.89Å; Y118-I123 HydrophobicContact CE1-CG1 4.37Å; Y118-M232 HydrophobicContact CD1-SD 4.09Å; Y118-M232 HydrophobicContact CE1-SD 4.12Å; Y118-Y235 AromaticContact CD1-CD2 3.86Å; Y118-Y235 HydrophobicContact CD1-CD2 3.86Å; Y118-Y235 AromaticContact CD1-CE2 3.69Å; Y118-Y235 HydrophobicContact CD1-CE2 3.69Å; Y118-Y235 AromaticContact CD2-CE2 3.94Å; Y118-Y235 HydrophobicContact CD2-CE2 3.94Å; Y118-Y235 AromaticContact CE1-CD2 3.59Å; Y118-Y235 HydrophobicContact CE1-CD2 3.59Å; Y118-Y235 AromaticContact CE1-CE2 3.79Å; Y118-Y235 HydrophobicContact CE1-CE2 3.79Å; Y118-Y235 HydrophobicContact CE2-CD2 4.44Å; Y118-Y235 HydrophobicContact CE2-CE2 4.05Å; Y118-Y235 HydrophobicContact CG-CD2 4.4Å; Y118-Y235 AromaticContact CG-CE2 3.77Å; Y118-Y235 HydrophobicContact CG-CE2 3.77Å; Y118-Y235 AromaticContact CZ-CD2 3.91Å; Y118-Y235 AromaticContact CZ-CE2 3.97Å |
| 119 | V | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | V115 N116 S117 I123 Y208 W224 F228 M232 | V115-V119 PolarHBondContact O-N 2.77Å; N116-V119 PolarHBondContact O-N 2.94Å; S117-V119 PolarHBondContact O-N 2.94Å; V119-I123 HydrophobicContact CB-CD1 4.24Å; V119-I123 HydrophobicContact CG1-CD1 4.15Å; V119-I123 HydrophobicContact CG2-CD1 4.15Å; V119-I123 WeakPolarHBondContact O-CB 3.34Å; V119-Y208 HydrophobicContact CB-CE1 3.94Å; V119-Y208 HydrophobicContact CB-CE2 4.37Å; V119-Y208 HydrophobicContact CG1-CD1 3.71Å; V119-Y208 HydrophobicContact CG1-CD2 4.08Å; V119-Y208 HydrophobicContact CG1-CE1 3.49Å; V119-Y208 VanDerWaalsContact CG1-CE1 3.49Å; V119-Y208 HydrophobicContact CG1-CE2 3.87Å; V119-Y208 HydrophobicContact CG1-CG 4Å; V119-Y208 HydrophobicContact CG2-CE2 4.28Å; V119-W224 HydrophobicContact CG1-CH2 3.96Å; V119-W224 HydrophobicContact CG1-CZ2 4.16Å; V119-F228 HydrophobicContact CG1-CD2 3.96Å; V119-F228 HydrophobicContact CG1-CE2 3.84Å; V119-F228 HydrophobicContact CG2-CE2 4.09Å; V119-M232 HydrophobicContact CG2-CE 4.12Å; V119-M232 HydrophobicContact CG2-CG 4.33Å; V119-M232 HydrophobicContact CG2-SD 3.64Å |
| 120 | I | 94.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71 | -44.7 | -175.7 | -66.9 | 160.7 | 0 | 0 | 0 | 111.7 | N116 S117 Y118 Y134 L147 Y208 | N116-I120 WeakPolarHBondContact O-CD1 3.38Å; N116-I120 WeakPolarHBondContact O-CG1 3.46Å; N116-I120 PolarHBondContact O-N 2.85Å; N116-I120 VanDerWaalsContact O-N 3.13Å; S117-I120 PolarHBondContact O-N 2.88Å; Y118-I120 VanDerWaalsContact C-N 3.34Å; Y118-I120 PolarHBondContact O-N 2.87Å; I120-Y134 HydrophobicContact CB-CD1 4.45Å; I120-Y134 HydrophobicContact CG1-CD1 3.96Å; I120-Y134 HydrophobicContact CG1-CE1 4.41Å; I120-Y134 HydrophobicContact CG2-CD1 4.28Å; I120-L147 HydrophobicContact CD1-CB 4.31Å; I120-L147 HydrophobicContact CD1-CD2 3.76Å; I120-L147 HydrophobicContact CG1-CD2 4.08Å; I120-L147 HydrophobicContact CG2-CD2 4.04Å; I120-Y208 HydrophobicContact CG1-CE1 4.27Å |
| 121 | E | 93.7 | Very high | 93.4 | Very high | 104 Ų | 104 | 53 Ų | 53 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -97.6 | -30.8 | -167.1 | -62.8 | 172.2 | -163.4 | 0 | 0 | 114.3 | S117 | S117-E121 VanDerWaalsContact O-CB 3.29Å; S117-E121 WeakPolarHBondContact O-CB 3.09Å; S117-E121 WeakPolarHBondContact O-CG 3.34Å; S117-E121 PolarHBondContact O-N 3.49Å |
| 122 | K | 94.2 | Very high | 93.4 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -103.4 | -26.6 | -170.1 | -57.3 | -60.9 | -176.9 | -174.6 | 0 | 113.6 | Y118 Q124 | Y118-K122 HydrophobicContact CD2-CB 3.79Å; Y118-K122 HydrophobicContact CD2-CG 3.66Å; Y118-K122 HydrophobicContact CE2-CB 3.8Å; Y118-K122 HydrophobicContact CE2-CG 4.01Å; Y118-K122 HydrophobicContact CG-CB 4.31Å; Y118-K122 HydrophobicContact CG-CG 4.37Å; Y118-K122 WeakPolarHBondContact O-CA 3.36Å; Y118-K122 VanDerWaalsContact O-CB 3.26Å; Y118-K122 WeakPolarHBondContact O-CB 3.38Å; Y118-K122 PolarHBondContact O-N 2.89Å; K122-Q124 PolarHBondContact O-N 3.23Å |
| 123 | I | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -79.3 | 113.8 | 176.2 | -56.8 | -176.4 | 0 | 0 | 0 | 108.1 | Y118 V119 W224 E227 F228 R231 M232 | Y118-I123 HydrophobicContact CE1-CG1 4.37Å; V119-I123 HydrophobicContact CB-CD1 4.24Å; V119-I123 HydrophobicContact CG1-CD1 4.15Å; V119-I123 HydrophobicContact CG2-CD1 4.15Å; V119-I123 WeakPolarHBondContact O-CB 3.34Å; I123-W224 HydrophobicContact CB-CZ2 4.39Å; I123-W224 HydrophobicContact CG2-CZ2 4.14Å; I123-E227 HydrophobicContact CG2-CB 4.5Å; I123-E227 HydrophobicContact CG2-CG 4.15Å; I123-F228 HydrophobicContact CD1-CD2 3.88Å; I123-R231 HydrophobicContact CD1-CB 4.12Å; I123-R231 HydrophobicContact CG1-CB 4.34Å; I123-R231 HydrophobicContact CG1-CG 4.45Å; I123-M232 HydrophobicContact CD1-CG 4.17Å; I123-M232 HydrophobicContact CD1-SD 4.05Å | ||
| 124 | Q | 94.4 | Very high | 93.4 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.6 | -177.6 | 66.3 | -176 | 20.4 | 0 | 0 | 110.1 | K122 I131 L132 K133 | K122-Q124 PolarHBondContact O-N 3.23Å; Q124-I131 HydrophobicContact CB-CG2 3.76Å; Q124-I131 HydrophobicContact CG-CG2 4Å; Q124-L132 CarbonylContact C-O 3.55Å; Q124-L132 VanDerWaalsContact CA-O 3.23Å; Q124-L132 WeakPolarHBondContact CA-O 3.45Å; Q124-K133 HydrophobicContact CB-CG 4.33Å |
| 125 | V | 94.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 159 | 176.8 | -64 | 0 | 0 | 0 | 0 | 110.2 | I131 L132 L223 W224 E227 | V125-I131 CarbonylContact O-C 3.6Å; V125-I131 WeakPolarHBondContact O-CA 3.46Å; V125-L132 HydrophobicContact CG2-CB 3.98Å; V125-L132 HydrophobicContact CG2-CD1 4.47Å; V125-L132 PolarHBondContact N-O 3.19Å; V125-L132 PolarHBondContact O-N 2.98Å; V125-L223 HydrophobicContact CB-CD2 3.84Å; V125-L223 HydrophobicContact CB-CG 3.87Å; V125-L223 HydrophobicContact CG1-CG 4.11Å; V125-L223 HydrophobicContact CG2-CD2 3.9Å; V125-L223 HydrophobicContact CG2-CG 4.1Å; V125-W224 HydrophobicContact CG1-CB 4.49Å; V125-W224 HydrophobicContact CG2-CB 4.31Å; V125-E227 HydrophobicContact CG1-CB 3.59Å; V125-E227 HydrophobicContact CG1-CG 4.07Å |
| 126 | T | 92 | Very high | 93.1 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.5 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | K130 | T126-K130 CarbonylContact C-O 3.59Å; T126-K130 VanDerWaalsContact CA-O 3.31Å; T126-K130 WeakPolarHBondContact CA-O 3.24Å |
| 127 | D | 89.3 | Confident | 92.9 | Very high | 39 Ų | 39 | 60 Ų | 60 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.9 | 176.7 | 177.8 | 26.8 | 0 | 0 | 0 | 108.8 | G129 K130 L132 R220 | D127-G129 PolarHBondContact O-N 2.98Å; D127-G129 VanDerWaalsContact O-N 3.1Å; D127-K130 PolarHBondContact N-O 3.4Å; D127-K130 WeakPolarHBondContact O-CB 3.49Å; D127-K130 PolarHBondContact O-N 3.35Å; D127-L132 HydrophobicContact CB-CD1 3.64Å; D127-L132 HydrophobicContact CB-CG 4.35Å; D127-R220 IonicContact OD2-CZ 3.93Å; D127-R220 IonicContact OD2-NE 2.86Å; D127-R220 PolarHBondContact OD2-NE 3.13Å; D127-R220 IonicContact OD2-NH2 3.11Å |
| 128 | G | 85.9 | Confident | 92.8 | Very high | 83 Ų | 83 | 58.5 Ų | 58.5 | 86% | 0.856 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 29.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | K130 | G128-K130 VanDerWaalsContact C-N 3.29Å; G128-K130 PolarHBondContact O-N 2.89Å |
| 129 | G | 87.5 | Confident | 92.5 | Very high | 67 Ų | 67 | 56 Ų | 56 | 69% | 0.691 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | -5.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D127 | D127-G129 PolarHBondContact O-N 2.98Å; D127-G129 VanDerWaalsContact O-N 3.1Å |
| 130 | K | 91.3 | Very high | 92 | Very high | 152 Ų | 152 | 59.9 Ų | 59.9 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.2 | 171.6 | -64.1 | -177.9 | -179.6 | 179.2 | 0 | 109.9 | T126 D127 G128 | T126-K130 CarbonylContact C-O 3.59Å; T126-K130 VanDerWaalsContact CA-O 3.31Å; T126-K130 WeakPolarHBondContact CA-O 3.24Å; D127-K130 PolarHBondContact N-O 3.4Å; D127-K130 WeakPolarHBondContact O-CB 3.49Å; D127-K130 PolarHBondContact O-N 3.35Å; G128-K130 VanDerWaalsContact C-N 3.29Å; G128-K130 PolarHBondContact O-N 2.89Å |
| 131 | I | 92.9 | Very high | 91.1 | Very high | 95 Ų | 95 | 60.6 Ų | 60.6 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.4 | 172.8 | -56.2 | 177.1 | 0 | 0 | 0 | 107.5 | Q124 V125 | Q124-I131 HydrophobicContact CB-CG2 3.76Å; Q124-I131 HydrophobicContact CG-CG2 4Å; V125-I131 CarbonylContact O-C 3.6Å; V125-I131 WeakPolarHBondContact O-CA 3.46Å |
| 132 | L | 94 | Very high | 90.2 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.089 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.7 | 177.9 | -57.8 | 176.8 | 0 | 0 | 0 | 109.2 | Q124 V125 D127 D136 V137 R220 | Q124-L132 CarbonylContact C-O 3.55Å; Q124-L132 VanDerWaalsContact CA-O 3.23Å; Q124-L132 WeakPolarHBondContact CA-O 3.45Å; V125-L132 HydrophobicContact CG2-CB 3.98Å; V125-L132 HydrophobicContact CG2-CD1 4.47Å; V125-L132 PolarHBondContact N-O 3.19Å; V125-L132 PolarHBondContact O-N 2.98Å; D127-L132 HydrophobicContact CB-CD1 3.64Å; D127-L132 HydrophobicContact CB-CG 4.35Å; L132-D136 HydrophobicContact CB-CB 4.25Å; L132-D136 HydrophobicContact CD2-CB 3.95Å; L132-V137 HydrophobicContact CB-CG1 4.14Å; L132-V137 HydrophobicContact CD1-CG1 4.24Å; L132-R220 HydrophobicContact CD1-CB 4.4Å; L132-R220 HydrophobicContact CD1-CG 3.77Å |
| 133 | K | 93.9 | Very high | 89.6 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 176.7 | 170.5 | -64.9 | -178.5 | -179.3 | 178.5 | 0 | 110.2 | Q124 E135 D136 V137 | Q124-K133 HydrophobicContact CB-CG 4.33Å; K133-E135 PolarHBondContact O-N 2.68Å; K133-D136 PolarHBondContact N-OD2 3.25Å; K133-D136 WeakPolarHBondContact O-CB 3.43Å; K133-D136 PolarHBondContact O-N 3.26Å; K133-V137 PolarHBondContact O-N 3.03Å |
| 134 | Y | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -51.8 | -40.8 | 173.7 | 177.8 | -112.3 | 0 | 0 | 0 | 112.4 | I120 D136 V137 C138 C145 Y146 L147 Y208 P209 L210 W224 | I120-Y134 HydrophobicContact CB-CD1 4.45Å; I120-Y134 HydrophobicContact CG1-CD1 3.96Å; I120-Y134 HydrophobicContact CG1-CE1 4.41Å; I120-Y134 HydrophobicContact CG2-CD1 4.28Å; Y134-D136 PolarHBondContact O-N 2.94Å; Y134-D136 VanDerWaalsContact O-N 3.14Å; Y134-V137 PolarHBondContact O-N 3.12Å; Y134-V137 VanDerWaalsContact O-N 3.12Å; Y134-C138 HydrophobicContact CD1-CB 4.42Å; Y134-C138 HydrophobicContact CD2-CB 4.31Å; Y134-C138 HydrophobicContact CE1-CB 4.01Å; Y134-C138 HydrophobicContact CE2-CB 3.86Å; Y134-C138 VanDerWaalsContact O-CB 3.26Å; Y134-C138 WeakPolarHBondContact O-CB 3.32Å; Y134-C138 PolarHBondContact O-N 2.71Å; Y134-C145 HydrophobicContact CE1-CB 4.13Å; Y134-Y146 WeakPolarHBondContact CE1-O 3.35Å; Y134-Y146 PolarHBondContact OH-O 2.93Å; Y134-L147 HydrophobicContact CD1-CD2 4.07Å; Y134-L147 HydrophobicContact CE1-CD2 3.83Å; Y134-Y208 HydrophobicContact CE1-CD1 4.42Å; Y134-Y208 HydrophobicContact CE2-CD1 4.2Å; Y134-Y208 HydrophobicContact CE2-CG 4.48Å; Y134-P209 VanDerWaalsContact OH-CD 3.24Å; Y134-P209 WeakPolarHBondContact OH-CD 3.36Å; Y134-L210 HydrophobicContact CD2-CD2 4.14Å; Y134-L210 HydrophobicContact CE2-CD2 4.03Å; Y134-W224 AromaticContact CD2-CH2 3.84Å; Y134-W224 HydrophobicContact CD2-CH2 3.84Å; Y134-W224 AromaticContact CD2-CZ2 3.65Å; Y134-W224 HydrophobicContact CD2-CZ2 3.65Å; Y134-W224 HydrophobicContact CE2-CH2 4.43Å; Y134-W224 HydrophobicContact CG-CZ2 4.17Å |
| 135 | E | 92.1 | Very high | 89 | Confident | 107 Ų | 107 | 65.6 Ų | 65.6 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -23.3 | -179.8 | -65.2 | -178.5 | 170.2 | 0 | 0 | 114.7 | K133 K140 C145 | K133-E135 PolarHBondContact O-N 2.68Å; E135-K140 VanDerWaalsContact O-CE 3.23Å; E135-K140 WeakPolarHBondContact O-CE 3.34Å; E135-K140 PolarHBondContact O-NZ 3.26Å; E135-C145 VanDerWaalsContact CA-SG 3.53Å |
| 136 | D | 91.4 | Very high | 88.7 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -86.7 | -26.8 | 179.5 | -57.1 | -55.5 | 0 | 0 | 0 | 112.2 | L132 K133 Y134 | L132-D136 HydrophobicContact CB-CB 4.25Å; L132-D136 HydrophobicContact CD2-CB 3.95Å; K133-D136 PolarHBondContact N-OD2 3.25Å; K133-D136 WeakPolarHBondContact O-CB 3.43Å; K133-D136 PolarHBondContact O-N 3.26Å; Y134-D136 PolarHBondContact O-N 2.94Å; Y134-D136 VanDerWaalsContact O-N 3.14Å |
| 137 | V | 92.5 | Very high | 88.7 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -110.1 | -9.6 | -174.9 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | L132 K133 Y134 L210 E211 R220 W224 | L132-V137 HydrophobicContact CB-CG1 4.14Å; L132-V137 HydrophobicContact CD1-CG1 4.24Å; K133-V137 PolarHBondContact O-N 3.03Å; Y134-V137 PolarHBondContact O-N 3.12Å; Y134-V137 VanDerWaalsContact O-N 3.12Å; V137-L210 HydrophobicContact CB-CD2 4.35Å; V137-L210 HydrophobicContact CG2-CD2 3.69Å; V137-L210 CarbonylContact O-C 3.56Å; V137-L210 WeakPolarHBondContact O-CA 3.44Å; V137-E211 PolarHBondContact O-N 3.36Å; V137-R220 HydrophobicContact CG1-CB 4.22Å; V137-W224 HydrophobicContact CG2-CB 4.16Å; V137-W224 HydrophobicContact CG2-CD2 4.09Å; V137-W224 HydrophobicContact CG2-CG 3.71Å |
| 138 | C | 92.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 152.5 | -177.2 | 78.8 | 0 | 0 | 0 | 0 | 111.8 | Y134 K140 C145 P209 | Y134-C138 HydrophobicContact CD1-CB 4.42Å; Y134-C138 HydrophobicContact CD2-CB 4.31Å; Y134-C138 HydrophobicContact CE1-CB 4.01Å; Y134-C138 HydrophobicContact CE2-CB 3.86Å; Y134-C138 VanDerWaalsContact O-CB 3.26Å; Y134-C138 WeakPolarHBondContact O-CB 3.32Å; Y134-C138 PolarHBondContact O-N 2.71Å; C138-K140 PolarHBondContact O-N 3.42Å; C138-K140 VanDerWaalsContact SG-CG 3.58Å; C138-C145 HydrophobicContact CB-CB 3.71Å; C138-C145 WeakPolarHBondContact CB-SG 3.39Å; C138-C145 WeakPolarHBondContact SG-CA 3.02Å; C138-C145 WeakPolarHBondContact SG-CB 3.42Å; C138-C145 CovalentContact SG-SG 2.01Å; C138-C145 PolarHBondContact SG-SG 3.48Å; C138-P209 VanDerWaalsContact CA-O 3.27Å; C138-P209 WeakPolarHBondContact CA-O 3.43Å |
| 139 | A | 89.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 123.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F79 P209 | F79-A139 HydrophobicContact CB-CB 4.09Å; A139-P209 HydrophobicContact CB-CB 3.97Å; A139-P209 HydrophobicContact CB-CG 4.43Å; A139-P209 PolarHBondContact N-O 2.89Å |
| 140 | K | 85.4 | Confident | 88.8 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 36% | 0.361 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132 | -174.8 | -67.3 | 179.4 | -176.4 | 179.5 | 0 | 112 | G78 E135 C138 A144 | G78-K140 PolarHBondContact N-O 3Å; E135-K140 VanDerWaalsContact O-CE 3.23Å; E135-K140 WeakPolarHBondContact O-CE 3.34Å; E135-K140 PolarHBondContact O-NZ 3.26Å; C138-K140 PolarHBondContact O-N 3.42Å; C138-K140 VanDerWaalsContact SG-CG 3.58Å; K140-A144 CarbonylContact C-O 3.53Å; K140-A144 WeakPolarHBondContact CA-O 3.19Å |
| 141 | A | 76.5 | Confident | 88.6 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | N143 A144 | A141-N143 VanDerWaalsContact C-N 3.28Å; A141-N143 PolarHBondContact O-N 2.81Å; A141-A144 PolarHBondContact N-O 3.19Å; A141-A144 PolarHBondContact O-N 3.31Å |
| 142 | R | 75.4 | Confident | 88.3 | Confident | 183 Ų | 183 | 53.5 Ų | 53.5 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.6 | -172.4 | -56.6 | -173.5 | -173.3 | -159 | 0.7 | 113.6 | A144 E652 | R142-A144 PolarHBondContact O-N 2.97Å; R142-E652 IonicContact CZ-OE2 3.02Å; R142-E652 IonicContact NE-OE2 2.64Å; R142-E652 PolarHBondContact NE-OE2 3.5Å; R142-E652 IonicContact NH2-OE2 3.87Å; R142-E652 PolarHBondContact NH2-OE2 3.05Å |
| 143 | N | 81.8 | Confident | 87.8 | Confident | 151 Ų | 151 | 55.2 Ų | 55.2 | 81% | 0.807 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 11.4 | -175.1 | -68.8 | -18.5 | 0 | 0 | 0 | 116.2 | A141 | A141-N143 VanDerWaalsContact C-N 3.28Å; A141-N143 PolarHBondContact O-N 2.81Å |
| 144 | A | 87.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 51 Ų | 51 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K140 A141 R142 | K140-A144 CarbonylContact C-O 3.53Å; K140-A144 WeakPolarHBondContact CA-O 3.19Å; A141-A144 PolarHBondContact N-O 3.19Å; A141-A144 PolarHBondContact O-N 3.31Å; R142-A144 PolarHBondContact O-N 2.97Å |
| 145 | C | 89.8 | Confident | 86.9 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 152.9 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | Y134 E135 C138 L147 | Y134-C145 HydrophobicContact CE1-CB 4.13Å; E135-C145 VanDerWaalsContact CA-SG 3.53Å; C138-C145 HydrophobicContact CB-CB 3.71Å; C138-C145 WeakPolarHBondContact CB-SG 3.39Å; C138-C145 WeakPolarHBondContact SG-CA 3.02Å; C138-C145 WeakPolarHBondContact SG-CB 3.42Å; C138-C145 CovalentContact SG-SG 2.01Å; C138-C145 PolarHBondContact SG-SG 3.48Å; C145-L147 HydrophobicContact CB-CD2 4.05Å; C145-L147 HydrophobicContact CB-CG 4.27Å; C145-L147 PolarHBondContact O-N 2.72Å |
| 146 | Y | 88.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | trans | -76.5 | 116.4 | 164.2 | -173.7 | -98.4 | 0 | 0 | 0 | 110.3 | F79 P81 Y134 N148 P149 | F79-Y146 HydrophobicContact CD1-CG 4.28Å; F79-Y146 HydrophobicContact CE1-CD1 4.21Å; F79-Y146 HydrophobicContact CE1-CD2 4.49Å; F79-Y146 HydrophobicContact CE1-CG 4.05Å; P81-Y146 HydrophobicContact CG-CD1 4.42Å; P81-Y146 HydrophobicContact CG-CD2 4.2Å; P81-Y146 HydrophobicContact CG-CE1 3.89Å; P81-Y146 HydrophobicContact CG-CE2 3.64Å; P81-Y146 VanDerWaalsContact CG-CZ 3.47Å; Y134-Y146 WeakPolarHBondContact CE1-O 3.35Å; Y134-Y146 PolarHBondContact OH-O 2.93Å; Y146-N148 WeakPolarHBondContact CE1-OD1 3.48Å; Y146-P149 HydrophobicContact CE2-CG 4.18Å | ||
| 147 | L | 91.2 | Very high | 86.1 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | trans | -114.4 | 28.5 | -173.6 | -59.8 | 171.7 | 0 | 0 | 0 | 113.4 | N116 I120 Y134 C145 | N116-L147 PolarHBondContact ND2-O 3.03Å; I120-L147 HydrophobicContact CD1-CB 4.31Å; I120-L147 HydrophobicContact CD1-CD2 3.76Å; I120-L147 HydrophobicContact CG1-CD2 4.08Å; I120-L147 HydrophobicContact CG2-CD2 4.04Å; Y134-L147 HydrophobicContact CD1-CD2 4.07Å; Y134-L147 HydrophobicContact CE1-CD2 3.83Å; C145-L147 HydrophobicContact CB-CD2 4.05Å; C145-L147 HydrophobicContact CB-CG 4.27Å; C145-L147 PolarHBondContact O-N 2.72Å | ||
| 148 | N | 90.6 | Very high | 85.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | 50.9 | 54.8 | -175.4 | -62.9 | -73 | 0 | 0 | 0 | 113.4 | N116 Y146 L150 V151 L206 V207 Y208 | N116-N148 PolarHBondContact OD1-ND2 2.97Å; N116-N148 VanDerWaalsContact OD1-ND2 3.15Å; Y146-N148 WeakPolarHBondContact CE1-OD1 3.48Å; N148-L150 PolarHBondContact O-N 3.05Å; N148-V151 HydrophobicContact CB-CG2 4.09Å; N148-V151 PolarHBondContact O-N 2.85Å; N148-V151 VanDerWaalsContact O-N 3.09Å; N148-L206 HydrophobicContact CB-CD2 4.35Å; N148-V207 PolarHBondContact ND2-O 3.47Å; N148-V207 VanDerWaalsContact ND2-O 3.14Å; N148-V207 PolarHBondContact OD1-N 2.89Å; N148-V207 PolarHBondContact OD1-O 3.25Å; N148-Y208 WeakPolarHBondContact ND2-CE1 3.39Å | ||
| 149 | P | 87.5 | Confident | 84.8 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -25.9 | -171.4 | 24.3 | -35.2 | 0 | 0 | 0 | 114.2 | Y146 V151 H152 M153 | Y146-P149 HydrophobicContact CE2-CG 4.18Å; P149-V151 VanDerWaalsContact C-N 3.25Å; P149-V151 PolarHBondContact O-N 3.01Å; P149-H152 PolarHBondContact O-N 3.26Å; P149-M153 WeakPolarHBondContact O-CB 3.08Å; P149-M153 PolarHBondContact O-N 3.3Å |
| 150 | L | 86.6 | Confident | 84.4 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 178.9 | -61.7 | 179.3 | 0 | 0 | 0 | 113.1 | N148 M153 I154 I180 L182 W204 | N148-L150 PolarHBondContact O-N 3.05Å; L150-M153 HydrophobicContact CD2-SD 4.47Å; L150-I154 WeakPolarHBondContact O-CB 3.33Å; L150-I154 WeakPolarHBondContact O-CG1 3.43Å; L150-I154 PolarHBondContact O-N 3.24Å; L150-I180 HydrophobicContact CD1-CG2 4.06Å; L150-I180 HydrophobicContact CD2-CD1 4.01Å; L150-I180 HydrophobicContact CD2-CG2 3.82Å; L150-L182 HydrophobicContact CD1-CD2 4.09Å; L150-W204 HydrophobicContact CB-CZ2 4.23Å |
| 151 | V | 87.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 178.6 | -178 | 0 | 0 | 0 | 0 | 110.1 | I112 V113 N148 P149 K155 W204 L206 | I112-V151 HydrophobicContact CB-CG1 4.48Å; I112-V151 HydrophobicContact CG2-CG1 3.72Å; I112-V151 HydrophobicContact CG2-CG2 4.36Å; V113-V151 HydrophobicContact CG2-CG1 3.58Å; N148-V151 HydrophobicContact CB-CG2 4.09Å; N148-V151 PolarHBondContact O-N 2.85Å; N148-V151 VanDerWaalsContact O-N 3.09Å; P149-V151 VanDerWaalsContact C-N 3.25Å; P149-V151 PolarHBondContact O-N 3.01Å; V151-K155 WeakPolarHBondContact O-CB 3.4Å; V151-K155 PolarHBondContact O-N 3.01Å; V151-W204 HydrophobicContact CB-CZ2 4.39Å; V151-W204 HydrophobicContact CG2-CH2 4.49Å; V151-W204 HydrophobicContact CG2-CZ2 3.79Å; V151-L206 HydrophobicContact CG2-CD2 3.51Å |
| 152 | H | 86.6 | Confident | 83.3 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | 179.7 | -65.2 | -80.8 | 0 | 0 | 0 | 111.8 | N116 P149 A156 | N116-H152 PolarHBondContact ND2-NE2 2.94Å; P149-H152 PolarHBondContact O-N 3.26Å; H152-A156 WeakPolarHBondContact O-CB 3.32Å; H152-A156 PolarHBondContact O-N 3.3Å |
| 153 | M | 84.5 | Confident | 82.8 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 26% | 0.261 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 179.2 | -176.8 | -172.9 | -65.9 | 0 | 0 | 112 | P149 L150 K155 A156 F157 M173 V175 | P149-M153 WeakPolarHBondContact O-CB 3.08Å; P149-M153 PolarHBondContact O-N 3.3Å; L150-M153 HydrophobicContact CD2-SD 4.47Å; M153-K155 PolarHBondContact O-N 3.37Å; M153-A156 PolarHBondContact O-N 3.09Å; M153-F157 HydrophobicContact CG-CD2 3.95Å; M153-F157 HydrophobicContact CG-CE1 4.09Å; M153-F157 HydrophobicContact CG-CE2 3.29Å; M153-F157 HydrophobicContact CG-CZ 3.37Å; M153-F157 VanDerWaalsContact O-CG 3.29Å; M153-F157 WeakPolarHBondContact O-CG 3.3Å; M153-F157 PolarHBondContact O-N 3.38Å; M153-F157 HydrophobicContact SD-CE2 3.7Å; M153-F157 HydrophobicContact SD-CZ 3.89Å; M153-M173 HydrophobicContact SD-CE 4.13Å; M153-V175 HydrophobicContact SD-CG2 3.95Å |
| 154 | I | 84 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | -179 | -74.1 | 169.3 | 0 | 0 | 0 | 111.2 | F104 L150 A156 F157 R158 L168 L182 W204 | F104-I154 HydrophobicContact CD2-CG2 4.49Å; F104-I154 HydrophobicContact CE1-CG2 4.44Å; F104-I154 HydrophobicContact CE2-CG2 3.46Å; F104-I154 VanDerWaalsContact CE2-CG2 3.46Å; F104-I154 HydrophobicContact CZ-CG2 3.4Å; F104-I154 VanDerWaalsContact CZ-CG2 3.4Å; L150-I154 WeakPolarHBondContact O-CB 3.33Å; L150-I154 WeakPolarHBondContact O-CG1 3.43Å; L150-I154 PolarHBondContact O-N 3.24Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 3.18Å; I154-F157 PolarHBondContact O-N 3.2Å; I154-R158 WeakPolarHBondContact O-CB 3.09Å; I154-R158 PolarHBondContact O-N 2.98Å; I154-L168 HydrophobicContact CG1-CD2 4.32Å; I154-L182 HydrophobicContact CD1-CD2 4.29Å; I154-W204 HydrophobicContact CB-CH2 4.11Å; I154-W204 HydrophobicContact CD1-CH2 3.5Å; I154-W204 HydrophobicContact CD1-CZ2 4.08Å; I154-W204 HydrophobicContact CD1-CZ3 4.38Å; I154-W204 HydrophobicContact CG1-CH2 4.34Å; I154-W204 HydrophobicContact CG2-CH2 4.25Å; I154-W204 HydrophobicContact CG2-CZ3 4.48Å |
| 155 | K | 85.3 | Confident | 81 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 19% | 0.191 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.7 | -178.8 | -178.1 | 172.8 | -173.1 | 0 | 111.2 | V113 V151 M153 R158 Q159 | V113-K155 HydrophobicContact CG2-CD 3.75Å; V151-K155 WeakPolarHBondContact O-CB 3.4Å; V151-K155 PolarHBondContact O-N 3.01Å; M153-K155 PolarHBondContact O-N 3.37Å; K155-R158 PolarHBondContact O-N 3.2Å; K155-Q159 WeakPolarHBondContact O-CG 3.44Å; K155-Q159 PolarHBondContact O-N 3.3Å |
| 156 | A | 84.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H152 M153 I154 R158 Q159 S160 | H152-A156 WeakPolarHBondContact O-CB 3.32Å; H152-A156 PolarHBondContact O-N 3.3Å; M153-A156 PolarHBondContact O-N 3.09Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 3.18Å; A156-R158 VanDerWaalsContact C-N 3.26Å; A156-R158 PolarHBondContact O-N 3.15Å; A156-Q159 PolarHBondContact O-N 3.44Å; A156-S160 PolarHBondContact O-N 2.96Å; A156-S160 VanDerWaalsContact O-N 3.15Å |
| 157 | F | 81.7 | Confident | 79.7 | Confident | 28 Ų | 28 | 66 Ų | 66 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 176.8 | -65 | -20.9 | 0 | 0 | 0 | 112.3 | M153 I154 S160 I164 V166 L168 M173 V175 | M153-F157 HydrophobicContact CG-CD2 3.95Å; M153-F157 HydrophobicContact CG-CE1 4.09Å; M153-F157 HydrophobicContact CG-CE2 3.29Å; M153-F157 HydrophobicContact CG-CZ 3.37Å; M153-F157 VanDerWaalsContact O-CG 3.29Å; M153-F157 WeakPolarHBondContact O-CG 3.3Å; M153-F157 PolarHBondContact O-N 3.38Å; M153-F157 HydrophobicContact SD-CE2 3.7Å; M153-F157 HydrophobicContact SD-CZ 3.89Å; I154-F157 PolarHBondContact O-N 3.2Å; F157-S160 CarbonylContact O-C 3.57Å; F157-I164 HydrophobicContact CD1-CB 4.07Å; F157-I164 HydrophobicContact CD1-CD1 3.75Å; F157-I164 HydrophobicContact CD1-CG1 4.49Å; F157-I164 HydrophobicContact CD1-CG2 3.49Å; F157-I164 VanDerWaalsContact CD1-CG2 3.49Å; F157-I164 HydrophobicContact CE1-CB 4.45Å; F157-I164 HydrophobicContact CE1-CD1 4.03Å; F157-I164 HydrophobicContact CE1-CG2 3.49Å; F157-I164 VanDerWaalsContact CE1-CG2 3.49Å; F157-I164 HydrophobicContact CG-CG2 4.44Å; F157-I164 HydrophobicContact CZ-CG2 4.41Å; F157-V166 HydrophobicContact CD2-CB 4.4Å; F157-V166 HydrophobicContact CD2-CG1 4.17Å; F157-V166 HydrophobicContact CE1-CG2 4.34Å; F157-V166 HydrophobicContact CE2-CB 4.29Å; F157-V166 HydrophobicContact CE2-CG1 3.87Å; F157-V166 HydrophobicContact CE2-CG2 4.42Å; F157-V166 HydrophobicContact CZ-CB 4.48Å; F157-V166 HydrophobicContact CZ-CG1 4.38Å; F157-V166 HydrophobicContact CZ-CG2 4.14Å; F157-L168 HydrophobicContact CD2-CD2 3.99Å; F157-M173 HydrophobicContact CE2-SD 4.4Å; F157-V175 HydrophobicContact CE2-CG2 4.33Å; F157-V175 HydrophobicContact CZ-CG1 4.47Å |
| 158 | R | 77.2 | Confident | 79.3 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.5 | -35.6 | 179.3 | -166.8 | 176.8 | -178.3 | 106.7 | 3.5 | 113.6 | F104 D106 I154 K155 A156 S160 | F104-R158 PolarHBondContact O-NE 2.95Å; F104-R158 PolarHBondContact O-NH1 3.44Å; F104-R158 PolarHBondContact O-NH2 2.97Å; D106-R158 WeakPolarHBondContact OD1-CD 3.4Å; D106-R158 IonicContact OD1-NE 3.2Å; D106-R158 PolarHBondContact OD1-NE 3.35Å; I154-R158 WeakPolarHBondContact O-CB 3.09Å; I154-R158 PolarHBondContact O-N 2.98Å; K155-R158 PolarHBondContact O-N 3.2Å; A156-R158 VanDerWaalsContact C-N 3.26Å; A156-R158 PolarHBondContact O-N 3.15Å; R158-S160 VanDerWaalsContact C-N 3.27Å; R158-S160 PolarHBondContact O-N 3.37Å |
| 159 | Q | 79.8 | Confident | 79.1 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.2 | -17.6 | 177.2 | -72.9 | -176.4 | -33.5 | 0 | 0 | 113.2 | K155 A156 | K155-Q159 WeakPolarHBondContact O-CG 3.44Å; K155-Q159 PolarHBondContact O-N 3.3Å; A156-Q159 PolarHBondContact O-N 3.44Å |
| 160 | S | 80.6 | Confident | 79.1 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | trans | -139 | 60.3 | -176.3 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | A156 F157 R158 D162 V163 I164 | A156-S160 PolarHBondContact O-N 2.96Å; A156-S160 VanDerWaalsContact O-N 3.15Å; F157-S160 CarbonylContact O-C 3.57Å; R158-S160 VanDerWaalsContact C-N 3.27Å; R158-S160 PolarHBondContact O-N 3.37Å; S160-D162 PolarHBondContact O-N 3.22Å; S160-V163 PolarHBondContact O-N 3.33Å; S160-I164 PolarHBondContact O-N 3.41Å | ||
| 161 | P | 70.1 | Confident | 79.2 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.6 | -176.9 | 27.2 | -33.9 | 0 | 0 | 0 | 112.4 | V163 | P161-V163 VanDerWaalsContact C-N 3.33Å; P161-V163 PolarHBondContact O-N 2.91Å |
| 162 | D | 69 | Low | 79.1 | Confident | 160 Ų | 160 | 64 Ų | 64 | 86% | 0.856 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -22.3 | -178.8 | -57 | -38.9 | 0 | 0 | 0 | 113.2 | S160 | S160-D162 PolarHBondContact O-N 3.22Š|
| 163 | V | 64.7 | Low | 79.1 | Confident | 119 Ų | 119 | 60.1 Ų | 60.1 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -34.1 | -175.9 | -176 | 0 | 0 | 0 | 0 | 111.2 | S160 P161 | S160-V163 PolarHBondContact O-N 3.33Å; P161-V163 VanDerWaalsContact C-N 3.33Å; P161-V163 PolarHBondContact O-N 2.91Å |
| 164 | I | 64.2 | Low | 78.7 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | trans | -124 | 94.8 | -171.9 | -54.8 | 169.9 | 0 | 0 | 0 | 109.3 | F157 S160 V166 | F157-I164 HydrophobicContact CD1-CB 4.07Å; F157-I164 HydrophobicContact CD1-CD1 3.75Å; F157-I164 HydrophobicContact CD1-CG1 4.49Å; F157-I164 HydrophobicContact CD1-CG2 3.49Å; F157-I164 VanDerWaalsContact CD1-CG2 3.49Å; F157-I164 HydrophobicContact CE1-CB 4.45Å; F157-I164 HydrophobicContact CE1-CD1 4.03Å; F157-I164 HydrophobicContact CE1-CG2 3.49Å; F157-I164 VanDerWaalsContact CE1-CG2 3.49Å; F157-I164 HydrophobicContact CG-CG2 4.44Å; F157-I164 HydrophobicContact CZ-CG2 4.41Å; S160-I164 PolarHBondContact O-N 3.41Å; I164-V166 HydrophobicContact CG2-CB 4.12Å; I164-V166 HydrophobicContact CG2-CG2 3.43Å; I164-V166 VanDerWaalsContact CG2-CG2 3.43Å; I164-V166 PolarHBondContact O-N 3.23Å | ||
| 165 | N | 67.6 | Low | 78.3 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 85% | 0.85 | 35% | 0.345 | S | S | * | . | trans | -76.5 | 66 | 179 | -164.7 | 13.3 | 0 | 0 | 0 | 111.6 | ||||
| 166 | V | 73.7 | Confident | 77.6 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 24% | 0.242 | 37% | 0.37 | C | S | . | . | trans | -106.8 | 124 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | F157 I164 L168 M173 | F157-V166 HydrophobicContact CD2-CB 4.4Å; F157-V166 HydrophobicContact CD2-CG1 4.17Å; F157-V166 HydrophobicContact CE1-CG2 4.34Å; F157-V166 HydrophobicContact CE2-CB 4.29Å; F157-V166 HydrophobicContact CE2-CG1 3.87Å; F157-V166 HydrophobicContact CE2-CG2 4.42Å; F157-V166 HydrophobicContact CZ-CB 4.48Å; F157-V166 HydrophobicContact CZ-CG1 4.38Å; F157-V166 HydrophobicContact CZ-CG2 4.14Å; I164-V166 HydrophobicContact CG2-CB 4.12Å; I164-V166 HydrophobicContact CG2-CG2 3.43Å; I164-V166 VanDerWaalsContact CG2-CG2 3.43Å; I164-V166 PolarHBondContact O-N 3.23Å; V166-L168 PolarHBondContact O-N 2.8Å; V166-M173 HydrophobicContact CG1-SD 4.35Å | ||
| 167 | Q | 77 | Confident | 76.8 | Confident | 122 Ų | 122 | 67.3 Ų | 67.3 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | trans | -78 | 114.7 | 173.9 | -64.9 | -178 | -10 | 0 | 0 | 109.7 | T169 | Q167-T169 HydrophobicContact CB-CG2 4.07Å; Q167-T169 PolarHBondContact O-N 2.66Å | ||
| 168 | L | 82.7 | Confident | 76.3 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | trans | -79.6 | 67.9 | 177.8 | -68.7 | 174.2 | 0 | 0 | 0 | 110.3 | F104 I154 F157 V166 M173 N197 I198 | F104-L168 HydrophobicContact CE1-CD1 4.15Å; F104-L168 HydrophobicContact CZ-CD1 4.16Å; I154-L168 HydrophobicContact CG1-CD2 4.32Å; F157-L168 HydrophobicContact CD2-CD2 3.99Å; V166-L168 PolarHBondContact O-N 2.8Å; L168-M173 HydrophobicContact CD2-SD 3.49Å; L168-M173 WeakPolarHBondContact CD2-SD 3.15Å; L168-N197 PolarHBondContact N-OD1 3.22Å; L168-N197 CarbonylContact O-C 3.54Å; L168-N197 VanDerWaalsContact O-CA 3.29Å; L168-N197 WeakPolarHBondContact O-CA 3.49Å; L168-I198 HydrophobicContact CB-CD1 4.47Å; L168-I198 VanDerWaalsContact O-CG1 3.3Å; L168-I198 WeakPolarHBondContact O-CG1 3.23Å; L168-I198 PolarHBondContact O-N 2.73Å | ||
| 169 | T | 86.4 | Confident | 76.3 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -79.3 | 158.1 | -178.6 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | Q167 K172 G196 | Q167-T169 HydrophobicContact CB-CG2 4.07Å; Q167-T169 PolarHBondContact O-N 2.66Å; T169-K172 CarbonylContact C-O 3.55Å; T169-K172 WeakPolarHBondContact CB-O 3.32Å; T169-K172 CarbonylContact O-C 3.53Å; T169-K172 PolarHBondContact OG1-O 2.86Å; T169-G196 WeakPolarHBondContact CA-O 3.43Å |
| 170 | Y | 88.4 | Confident | 76.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.075 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -136.5 | 141.8 | 179.1 | -174.9 | -91.9 | 0 | 0 | 0 | 109.8 | L182 A183 L186 V189 I191 Y569 | Y170-L182 HydrophobicContact CD2-CB 4.17Å; Y170-L182 HydrophobicContact CE2-CB 4.46Å; Y170-A183 HydrophobicContact CE1-CB 4.21Å; Y170-A183 HydrophobicContact CE2-CB 3.6Å; Y170-A183 VanDerWaalsContact CZ-CB 3.41Å; Y170-A183 VanDerWaalsContact OH-CB 3.23Å; Y170-A183 WeakPolarHBondContact OH-CB 3.2Å; Y170-L186 PolarHBondContact OH-O 3.15Å; Y170-V189 HydrophobicContact CD1-CB 4.26Å; Y170-V189 HydrophobicContact CD1-CG1 4.18Å; Y170-V189 HydrophobicContact CD2-CB 4.17Å; Y170-V189 HydrophobicContact CD2-CG1 4.02Å; Y170-V189 HydrophobicContact CD2-CG2 3.88Å; Y170-V189 HydrophobicContact CE1-CB 4.07Å; Y170-V189 HydrophobicContact CE1-CG1 4.49Å; Y170-V189 HydrophobicContact CE1-CG2 4.4Å; Y170-V189 HydrophobicContact CE2-CB 4.03Å; Y170-V189 HydrophobicContact CE2-CG1 4.4Å; Y170-V189 HydrophobicContact CE2-CG2 3.51Å; Y170-V189 HydrophobicContact CG-CB 4.27Å; Y170-V189 HydrophobicContact CG-CG1 3.89Å; Y170-V189 HydrophobicContact CG-CG2 4.48Å; Y170-I191 HydrophobicContact CD1-CD1 3.86Å; Y170-I191 HydrophobicContact CD1-CG1 4.48Å; Y170-I191 HydrophobicContact CG-CD1 4.32Å; Y170-Y569 HydrophobicContact CD1-CE1 4.1Å; Y170-Y569 AromaticContact CE1-CD1 3.59Å; Y170-Y569 HydrophobicContact CE1-CD1 3.59Å; Y170-Y569 AromaticContact CE1-CE1 3.31Å; Y170-Y569 HydrophobicContact CE1-CE1 3.31Å |
| 171 | P | 88.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | S | Bend | cis | -79.2 | -9.3 | 10.3 | 32.7 | -37.8 | 0 | 0 | 0 | 115 | Y181 L182 A183 Y569 I606 E609 | P171-Y181 HydrophobicContact CB-CD2 4.49Å; P171-Y181 HydrophobicContact CB-CE2 4.03Å; P171-Y181 HydrophobicContact CG-CE2 4.5Å; P171-L182 PolarHBondContact O-N 3.14Å; P171-A183 HydrophobicContact CB-CB 3.68Å; P171-A183 PolarHBondContact O-N 3.29Å; P171-Y569 HydrophobicContact CB-CE1 4.31Å; P171-I606 HydrophobicContact CG-CG2 4.15Å; P171-E609 HydrophobicContact CG-CB 4.39Å |
| 172 | K | 85.8 | Confident | 77.5 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 15% | 0.148 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.9 | 178.4 | -68.2 | -175.8 | -179.4 | -175.5 | 0 | 111.7 | T169 I180 Y181 E609 V611 | T169-K172 CarbonylContact C-O 3.55Å; T169-K172 WeakPolarHBondContact CB-O 3.32Å; T169-K172 CarbonylContact O-C 3.53Å; T169-K172 PolarHBondContact OG1-O 2.86Å; K172-I180 CarbonylContact C-O 3.17Å; K172-I180 VanDerWaalsContact CA-O 3.26Å; K172-I180 WeakPolarHBondContact CA-O 3.25Å; K172-Y181 HydrophobicContact CG-CD2 3.85Å; K172-E609 WeakPolarHBondContact CD-O 3.38Å; K172-E609 WeakPolarHBondContact CE-O 3.33Å; K172-E609 WeakPolarHBondContact CG-O 3.47Å; K172-V611 WeakPolarHBondContact CE-O 3.47Å; K172-V611 PolarHBondContact NZ-O 3.07Å |
| 173 | M | 85.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.3 | 170.6 | 170.5 | 178.9 | 64.7 | 0 | 0 | 109.3 | M153 F157 V166 L168 V175 I180 L182 | M153-M173 HydrophobicContact SD-CE 4.13Å; F157-M173 HydrophobicContact CE2-SD 4.4Å; V166-M173 HydrophobicContact CG1-SD 4.35Å; L168-M173 HydrophobicContact CD2-SD 3.49Å; L168-M173 WeakPolarHBondContact CD2-SD 3.15Å; M173-V175 HydrophobicContact CE-CG2 3.82Å; M173-V175 HydrophobicContact CG-CG2 4Å; M173-V175 HydrophobicContact SD-CG2 4.05Å; M173-I180 HydrophobicContact CE-CD1 4.31Å; M173-I180 PolarHBondContact N-O 3Å; M173-I180 PolarHBondContact O-N 3.23Å; M173-L182 HydrophobicContact CB-CD1 3.69Å; M173-L182 HydrophobicContact CB-CG 4.2Å; M173-L182 HydrophobicContact CE-CD1 4.37Å; M173-L182 HydrophobicContact CE-CD2 4.21Å; M173-L182 HydrophobicContact SD-CD1 4.46Å |
| 174 | T | 77.2 | Confident | 79.3 | Confident | 91 Ų | 91 | 45.1 Ų | 45.1 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.5 | 173.8 | 45.6 | 0 | 0 | 0 | 0 | 110.2 | Q178 | T174-Q178 WeakPolarHBondContact CA-O 3.41Å |
| 175 | V | 74.6 | Confident | 80.4 | Confident | 36 Ų | 36 | 42.8 Ų | 42.8 | 22% | 0.218 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 108.3 | 174.1 | -177.5 | 0 | 0 | 0 | 0 | 108 | M153 F157 M173 N177 Q178 I180 | M153-V175 HydrophobicContact SD-CG2 3.95Å; F157-V175 HydrophobicContact CE2-CG2 4.33Å; F157-V175 HydrophobicContact CZ-CG1 4.47Å; M173-V175 HydrophobicContact CE-CG2 3.82Å; M173-V175 HydrophobicContact CG-CG2 4Å; M173-V175 HydrophobicContact SD-CG2 4.05Å; V175-N177 PolarHBondContact O-N 2.78Å; V175-Q178 PolarHBondContact N-O 3.1Å; V175-Q178 PolarHBondContact O-N 2.92Å; V175-I180 HydrophobicContact CB-CD1 4.44Å; V175-I180 HydrophobicContact CG2-CD1 4.11Å |
| 176 | G | 72.2 | Confident | 81.5 | Confident | 70 Ų | 70 | 35.3 Ų | 35.3 | 72% | 0.722 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -121.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 177 | N | 66.3 | Low | 82.3 | Confident | 94 Ų | 94 | 33.4 Ų | 33.4 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3 | 176.4 | -65.6 | -13.1 | 0 | 0 | 0 | 113.7 | V175 Q625 | V175-N177 PolarHBondContact O-N 2.78Å; N177-Q625 PolarHBondContact ND2-NE2 3.49Å; N177-Q625 PolarHBondContact ND2-OE1 2.84Å; N177-Q625 PolarHBondContact OD1-NE2 3.43Å |
| 178 | Q | 71.1 | Confident | 82.9 | Confident | 78 Ų | 78 | 28.7 Ų | 28.7 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.1 | -176.5 | -166.8 | 174.2 | -1.9 | 0 | 0 | 111 | T174 V175 I180 N650 | T174-Q178 WeakPolarHBondContact CA-O 3.41Å; V175-Q178 PolarHBondContact N-O 3.1Å; V175-Q178 PolarHBondContact O-N 2.92Å; Q178-I180 HydrophobicContact CG-CG1 4.21Å; Q178-N650 HydrophobicContact CB-CB 4Å; Q178-N650 HydrophobicContact CG-CB 4.39Å |
| 179 | A | 77.7 | Confident | 83.3 | Confident | 26 Ų | 26 | 28.9 Ų | 28.9 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 180 | I | 82.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.5 | -179.8 | -59.8 | 171.7 | 0 | 0 | 0 | 108.1 | L150 K172 M173 V175 Q178 L182 | L150-I180 HydrophobicContact CD1-CG2 4.06Å; L150-I180 HydrophobicContact CD2-CD1 4.01Å; L150-I180 HydrophobicContact CD2-CG2 3.82Å; K172-I180 CarbonylContact C-O 3.17Å; K172-I180 VanDerWaalsContact CA-O 3.26Å; K172-I180 WeakPolarHBondContact CA-O 3.25Å; M173-I180 HydrophobicContact CE-CD1 4.31Å; M173-I180 PolarHBondContact N-O 3Å; M173-I180 PolarHBondContact O-N 3.23Å; V175-I180 HydrophobicContact CB-CD1 4.44Å; V175-I180 HydrophobicContact CG2-CD1 4.11Å; Q178-I180 HydrophobicContact CG-CG1 4.21Å; I180-L182 HydrophobicContact CG2-CD2 4.26Å; I180-L182 PolarHBondContact O-N 3.42Å |
| 181 | Y | 85.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 107.3 | 174.1 | -171.9 | -90.4 | 0 | 0 | 0 | 110.7 | P171 K172 A183 S184 G570 Q572 G610 E612 G677 | P171-Y181 HydrophobicContact CB-CD2 4.49Å; P171-Y181 HydrophobicContact CB-CE2 4.03Å; P171-Y181 HydrophobicContact CG-CE2 4.5Å; K172-Y181 HydrophobicContact CG-CD2 3.85Å; Y181-A183 HydrophobicContact CD1-CB 4.26Å; Y181-A183 HydrophobicContact CE1-CB 3.56Å; Y181-A183 HydrophobicContact CE2-CB 4.32Å; Y181-S184 PolarHBondContact O-OG 2.98Å; Y181-S184 VanDerWaalsContact O-OG 3.12Å; Y181-G570 WeakPolarHBondContact CE1-O 3.01Å; Y181-G570 PolarHBondContact OH-O 3.18Å; Y181-Q572 HydrophobicContact CD1-CG 3.82Å; Y181-Q572 HydrophobicContact CE1-CG 3.2Å; Y181-Q572 VanDerWaalsContact CE1-NE2 3.26Å; Y181-Q572 HydrophobicContact CE2-CG 4.47Å; Y181-G610 WeakPolarHBondContact CE2-O 3.43Å; Y181-E612 WeakPolarHBondContact CB-OE2 3.19Å; Y181-E612 HydrophobicContact CD2-CG 4.49Å; Y181-G677 VanDerWaalsContact OH-CA 3.31Å; Y181-G677 WeakPolarHBondContact OH-CA 3.35Å |
| 182 | L | 88.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -82.4 | -28.1 | -177.7 | -70.4 | 177.7 | 0 | 0 | 0 | 112.6 | L150 I154 Y170 P171 M173 I180 S184 T185 L186 I198 | L150-L182 HydrophobicContact CD1-CD2 4.09Å; I154-L182 HydrophobicContact CD1-CD2 4.29Å; Y170-L182 HydrophobicContact CD2-CB 4.17Å; Y170-L182 HydrophobicContact CE2-CB 4.46Å; P171-L182 PolarHBondContact O-N 3.14Å; M173-L182 HydrophobicContact CB-CD1 3.69Å; M173-L182 HydrophobicContact CB-CG 4.2Å; M173-L182 HydrophobicContact CE-CD1 4.37Å; M173-L182 HydrophobicContact CE-CD2 4.21Å; M173-L182 HydrophobicContact SD-CD1 4.46Å; I180-L182 HydrophobicContact CG2-CD2 4.26Å; I180-L182 PolarHBondContact O-N 3.42Å; L182-S184 PolarHBondContact O-N 2.95Å; L182-T185 PolarHBondContact O-N 2.73Å; L182-T185 PolarHBondContact O-OG1 3.26Å; L182-L186 PolarHBondContact O-N 3.45Å; L182-I198 HydrophobicContact CD1-CD1 3.86Å | ||
| 183 | A | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y170 P171 Y181 M566 | Y170-A183 HydrophobicContact CE1-CB 4.21Å; Y170-A183 HydrophobicContact CE2-CB 3.6Å; Y170-A183 VanDerWaalsContact CZ-CB 3.41Å; Y170-A183 VanDerWaalsContact OH-CB 3.23Å; Y170-A183 WeakPolarHBondContact OH-CB 3.2Å; P171-A183 HydrophobicContact CB-CB 3.68Å; P171-A183 PolarHBondContact O-N 3.29Å; Y181-A183 HydrophobicContact CD1-CB 4.26Å; Y181-A183 HydrophobicContact CE1-CB 3.56Å; Y181-A183 HydrophobicContact CE2-CB 4.32Å; A183-M566 WeakPolarHBondContact O-CE 3.48Å |
| 184 | S | 84 | Confident | 82.9 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.5 | 171.8 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | Y181 L182 M566 | Y181-S184 PolarHBondContact O-OG 2.98Å; Y181-S184 VanDerWaalsContact O-OG 3.12Å; L182-S184 PolarHBondContact O-N 2.95Å; S184-M566 WeakPolarHBondContact O-CE 3.34Å |
| 185 | T | 88.9 | Confident | 83.1 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -36.7 | -178.8 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | L182 W204 M205 | L182-T185 PolarHBondContact O-N 2.73Å; L182-T185 PolarHBondContact O-OG1 3.26Å; T185-W204 CarbonylContact O-C 3.55Å; T185-W204 WeakPolarHBondContact O-CA 3.29Å; T185-M205 PolarHBondContact O-N 2.82Å |
| 186 | L | 90.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.2 | -179.3 | -162.6 | 71.9 | 0 | 0 | 0 | 110.8 | I103 F104 Y170 L182 V189 I198 A201 W204 | I103-L186 HydrophobicContact CD1-CD1 4.11Å; F104-L186 HydrophobicContact CE2-CD2 4.31Å; Y170-L186 PolarHBondContact OH-O 3.15Å; L182-L186 PolarHBondContact O-N 3.45Å; L186-V189 HydrophobicContact CB-CG2 4.33Å; L186-V189 HydrophobicContact CD2-CG2 3.71Å; L186-V189 HydrophobicContact CG-CG2 3.71Å; L186-I198 HydrophobicContact CD2-CD1 3.95Å; L186-A201 HydrophobicContact CD1-CB 3.59Å; L186-A201 HydrophobicContact CD2-CB 3.95Å; L186-A201 HydrophobicContact CG-CB 3.72Å; L186-W204 HydrophobicContact CD1-CB 4.39Å; L186-W204 HydrophobicContact CD1-CD2 3.78Å; L186-W204 HydrophobicContact CD1-CE3 3.48Å; L186-W204 VanDerWaalsContact CD1-CE3 3.48Å; L186-W204 HydrophobicContact CD1-CG 4.2Å; L186-W204 HydrophobicContact CD1-CZ3 4.04Å |
| 187 | S | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 159.9 | -174.9 | -41.3 | 0 | 0 | 0 | 0 | 112.7 | Y94 V189 K202 A203 M566 | Y94-S187 WeakPolarHBondContact OH-CB 3.32Å; Y94-S187 PolarHBondContact OH-OG 3.31Å; Y94-S187 VanDerWaalsContact OH-OG 3.11Å; S187-V189 VanDerWaalsContact C-N 3.32Å; S187-K202 PolarHBondContact O-N 3.25Å; S187-K202 VanDerWaalsContact O-N 3.11Å; S187-A203 PolarHBondContact N-O 2.78Å; S187-A203 PolarHBondContact O-N 2.84Å; S187-A203 VanDerWaalsContact O-N 3.16Å; S187-M566 PolarHBondContact OG-SD 3.11Å |
| 188 | G | 89.2 | Confident | 85.1 | Confident | 23 Ų | 23 | 43.3 Ų | 43.3 | 24% | 0.237 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 61.4 | 41.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K202 | G188-K202 PolarHBondContact O-N 2.93Š|
| 189 | V | 90.6 | Very high | 85.8 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | trans | -82.5 | 132.7 | -175 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | Y170 L186 S187 I191 I198 S200 A201 | Y170-V189 HydrophobicContact CD1-CB 4.26Å; Y170-V189 HydrophobicContact CD1-CG1 4.18Å; Y170-V189 HydrophobicContact CD2-CB 4.17Å; Y170-V189 HydrophobicContact CD2-CG1 4.02Å; Y170-V189 HydrophobicContact CD2-CG2 3.88Å; Y170-V189 HydrophobicContact CE1-CB 4.07Å; Y170-V189 HydrophobicContact CE1-CG1 4.49Å; Y170-V189 HydrophobicContact CE1-CG2 4.4Å; Y170-V189 HydrophobicContact CE2-CB 4.03Å; Y170-V189 HydrophobicContact CE2-CG1 4.4Å; Y170-V189 HydrophobicContact CE2-CG2 3.51Å; Y170-V189 HydrophobicContact CG-CB 4.27Å; Y170-V189 HydrophobicContact CG-CG1 3.89Å; Y170-V189 HydrophobicContact CG-CG2 4.48Å; L186-V189 HydrophobicContact CB-CG2 4.33Å; L186-V189 HydrophobicContact CD2-CG2 3.71Å; L186-V189 HydrophobicContact CG-CG2 3.71Å; S187-V189 VanDerWaalsContact C-N 3.32Å; V189-I191 HydrophobicContact CG1-CG1 4.03Å; V189-I198 HydrophobicContact CG1-CB 4.41Å; V189-I198 HydrophobicContact CG1-CG1 3.91Å; V189-I198 HydrophobicContact CG1-CG2 3.98Å; V189-S200 CarbonylContact C-O 3.52Å; V189-S200 VanDerWaalsContact CA-O 3.31Å; V189-S200 WeakPolarHBondContact CA-O 3.44Å; V189-A201 HydrophobicContact CG2-CB 4.1Å | ||
| 190 | E | 89 | Confident | 86.4 | Confident | 94 Ų | 94 | 44 Ų | 44 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.3 | 169.9 | -54.3 | 180 | -175 | 0 | 0 | 107.9 | Q199 S200 K202 | E190-Q199 PolarHBondContact O-N 3.25Å; E190-S200 WeakPolarHBondContact CB-OG 3.33Å; E190-S200 PolarHBondContact N-O 3.01Å; E190-S200 PolarHBondContact O-N 3.27Å; E190-K202 IonicContact OE1-NZ 2.81Å; E190-K202 PolarHBondContact OE1-NZ 3.22Å |
| 191 | I | 88.2 | Confident | 86.9 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140 | -172.5 | -49.3 | 172.2 | 0 | 0 | 0 | 108.7 | Y170 V189 K193 G196 N197 | Y170-I191 HydrophobicContact CD1-CD1 3.86Å; Y170-I191 HydrophobicContact CD1-CG1 4.48Å; Y170-I191 HydrophobicContact CG-CD1 4.32Å; V189-I191 HydrophobicContact CG1-CG1 4.03Å; I191-K193 PolarHBondContact O-N 2.95Å; I191-G196 WeakPolarHBondContact CG2-O 3.25Å; I191-N197 WeakPolarHBondContact CG2-O 3.44Å |
| 192 | N | 85.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | trans | -67.9 | 115.1 | 167.3 | -171 | -6.1 | 0 | 0 | 0 | 109.7 | T194 T195 G196 N197 Q199 | N192-T194 PolarHBondContact ND2-OG1 3.22Å; N192-T194 PolarHBondContact O-N 3.26Å; N192-T194 VanDerWaalsContact O-N 3.11Å; N192-T194 PolarHBondContact OD1-N 3.1Å; N192-T194 PolarHBondContact OD1-OG1 3.46Å; N192-T195 VanDerWaalsContact CB-OG1 3.3Å; N192-T195 WeakPolarHBondContact CB-OG1 3.45Å; N192-T195 PolarHBondContact ND2-OG1 3.37Å; N192-T195 VanDerWaalsContact ND2-OG1 3.12Å; N192-T195 PolarHBondContact O-N 2.91Å; N192-G196 WeakPolarHBondContact O-CA 3.15Å; N192-G196 PolarHBondContact O-N 2.88Å; N192-N197 PolarHBondContact N-O 3.42Å; N192-Q199 HydrophobicContact CB-CG 3.71Å; N192-Q199 VanDerWaalsContact CB-NE2 3.29Å; N192-Q199 VanDerWaalsContact CG-NE2 3.33Å | ||
| 193 | K | 82.6 | Confident | 87.4 | Confident | 207 Ų | 207 | 45.8 Ų | 45.8 | 90% | 0.9 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.5 | -178.5 | -65.6 | -176.3 | -179.9 | 178.9 | 0 | 113.9 | I191 | I191-K193 PolarHBondContact O-N 2.95Š|
| 194 | T | 81.8 | Confident | 87.7 | Confident | 120 Ų | 120 | 46 Ų | 46 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -41.4 | -178.3 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | N192 | N192-T194 PolarHBondContact ND2-OG1 3.22Å; N192-T194 PolarHBondContact O-N 3.26Å; N192-T194 VanDerWaalsContact O-N 3.11Å; N192-T194 PolarHBondContact OD1-N 3.1Å; N192-T194 PolarHBondContact OD1-OG1 3.46Å |
| 195 | T | 80.3 | Confident | 88.2 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -12.5 | -174.4 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | N192 N197 | N192-T195 VanDerWaalsContact CB-OG1 3.3Å; N192-T195 WeakPolarHBondContact CB-OG1 3.45Å; N192-T195 PolarHBondContact ND2-OG1 3.37Å; N192-T195 VanDerWaalsContact ND2-OG1 3.12Å; N192-T195 PolarHBondContact O-N 2.91Å; T195-N197 PolarHBondContact O-N 3.44Å |
| 196 | G | 81.9 | Confident | 88.4 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | trans | 70.1 | -4.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T169 I191 N192 | T169-G196 WeakPolarHBondContact CA-O 3.43Å; I191-G196 WeakPolarHBondContact CG2-O 3.25Å; N192-G196 WeakPolarHBondContact O-CA 3.15Å; N192-G196 PolarHBondContact O-N 2.88Å | ||
| 197 | N | 85.7 | Confident | 88.5 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -73.1 | 145.4 | 179.1 | -68.8 | -21.1 | 0 | 0 | 0 | 113.7 | L168 I191 N192 T195 Q199 | L168-N197 PolarHBondContact N-OD1 3.22Å; L168-N197 CarbonylContact O-C 3.54Å; L168-N197 VanDerWaalsContact O-CA 3.29Å; L168-N197 WeakPolarHBondContact O-CA 3.49Å; I191-N197 WeakPolarHBondContact CG2-O 3.44Å; N192-N197 PolarHBondContact N-O 3.42Å; T195-N197 PolarHBondContact O-N 3.44Å; N197-Q199 PolarHBondContact O-N 3.46Å |
| 198 | I | 87 | Confident | 88.7 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 119.5 | 172.8 | -63.8 | 162.3 | 0 | 0 | 0 | 110.5 | F104 L168 L182 L186 V189 | F104-I198 HydrophobicContact CD1-CG2 3.86Å; F104-I198 HydrophobicContact CD2-CG2 4.5Å; F104-I198 HydrophobicContact CE1-CB 4.19Å; F104-I198 HydrophobicContact CE1-CG2 3.74Å; F104-I198 HydrophobicContact CE2-CG2 4.33Å; F104-I198 HydrophobicContact CG-CG2 4.3Å; F104-I198 HydrophobicContact CZ-CB 4.41Å; F104-I198 HydrophobicContact CZ-CG2 3.98Å; L168-I198 HydrophobicContact CB-CD1 4.47Å; L168-I198 VanDerWaalsContact O-CG1 3.3Å; L168-I198 WeakPolarHBondContact O-CG1 3.23Å; L168-I198 PolarHBondContact O-N 2.73Å; L182-I198 HydrophobicContact CD1-CD1 3.86Å; L186-I198 HydrophobicContact CD2-CD1 3.95Å; V189-I198 HydrophobicContact CG1-CB 4.41Å; V189-I198 HydrophobicContact CG1-CG1 3.91Å; V189-I198 HydrophobicContact CG1-CG2 3.98Å |
| 199 | Q | 86.7 | Confident | 88.9 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -45.5 | 173.1 | -71.7 | -179.6 | -28.4 | 0 | 0 | 111.5 | E190 N192 N197 | E190-Q199 PolarHBondContact O-N 3.25Å; N192-Q199 HydrophobicContact CB-CG 3.71Å; N192-Q199 VanDerWaalsContact CB-NE2 3.29Å; N192-Q199 VanDerWaalsContact CG-NE2 3.33Å; N197-Q199 PolarHBondContact O-N 3.46Å |
| 200 | S | 89.9 | Confident | 89 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.1 | 179.2 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | N102 V189 E190 | N102-S200 WeakPolarHBondContact ND2-CB 3.42Å; N102-S200 VanDerWaalsContact OD1-CA 3.23Å; N102-S200 WeakPolarHBondContact OD1-CA 3.35Å; N102-S200 VanDerWaalsContact OD1-CB 3.25Å; N102-S200 WeakPolarHBondContact OD1-CB 3.24Å; V189-S200 CarbonylContact C-O 3.52Å; V189-S200 VanDerWaalsContact CA-O 3.31Å; V189-S200 WeakPolarHBondContact CA-O 3.44Å; E190-S200 WeakPolarHBondContact CB-OG 3.33Å; E190-S200 PolarHBondContact N-O 3.01Å; E190-S200 PolarHBondContact O-N 3.27Å |
| 201 | A | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -137.4 | 153 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | N102 I103 F104 L186 V189 | N102-A201 CarbonylContact C-O 3.55Å; N102-A201 WeakPolarHBondContact CA-O 3.21Å; N102-A201 PolarHBondContact OD1-N 3.12Å; N102-A201 PolarHBondContact OD1-O 2.92Å; N102-A201 VanDerWaalsContact OD1-O 3.13Å; I103-A201 HydrophobicContact CD1-CB 4.25Å; I103-A201 HydrophobicContact CG1-CB 3.94Å; I103-A201 WeakPolarHBondContact CG1-O 3.45Å; I103-A201 PolarHBondContact N-O 3.36Å; F104-A201 HydrophobicContact CD2-CB 4.47Å; L186-A201 HydrophobicContact CD1-CB 3.59Å; L186-A201 HydrophobicContact CD2-CB 3.95Å; L186-A201 HydrophobicContact CG-CB 3.72Å; V189-A201 HydrophobicContact CG2-CB 4.1Å | ||
| 202 | K | 92.6 | Very high | 89.1 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -104.4 | -24.2 | -178.5 | -66.2 | 179.6 | -175 | 170.4 | 0 | 113 | S187 G188 E190 Y565 | S187-K202 PolarHBondContact O-N 3.25Å; S187-K202 VanDerWaalsContact O-N 3.11Å; G188-K202 PolarHBondContact O-N 2.93Å; E190-K202 IonicContact OE1-NZ 2.81Å; E190-K202 PolarHBondContact OE1-NZ 3.22Å; K202-Y565 HydrophobicContact CB-CD1 3.99Å; K202-Y565 HydrophobicContact CB-CE1 3.96Å; K202-Y565 HydrophobicContact CD-CD1 4.39Å; K202-Y565 HydrophobicContact CD-CE1 4.05Å |
| 203 | A | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 148.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y94 V95 T96 S187 Y565 | Y94-A203 HydrophobicContact CD1-CB 4.37Å; Y94-A203 HydrophobicContact CE1-CB 3.48Å; Y94-A203 VanDerWaalsContact CE1-CB 3.48Å; Y94-A203 HydrophobicContact CE2-CB 4.47Å; Y94-A203 WeakPolarHBondContact OH-CB 3.26Å; V95-A203 CarbonylContact O-C 3.33Å; V95-A203 VanDerWaalsContact O-CA 3.24Å; V95-A203 WeakPolarHBondContact O-CA 3.37Å; T96-A203 HydrophobicContact CG2-CB 3.67Å; S187-A203 PolarHBondContact N-O 2.78Å; S187-A203 PolarHBondContact O-N 2.84Å; S187-A203 VanDerWaalsContact O-N 3.16Å; A203-Y565 HydrophobicContact CB-CD2 4.25Å; A203-Y565 HydrophobicContact CB-CG 4.29Å |
| 204 | W | 93.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.3 | 175.3 | -158.1 | -47.9 | 0 | 0 | 0 | 110.3 | V95 I103 F104 L109 I112 L150 V151 I154 T185 L186 L206 | V95-W204 PolarHBondContact N-O 3.07Å; V95-W204 PolarHBondContact O-N 3.4Å; I103-W204 HydrophobicContact CD1-CB 3.57Å; I103-W204 HydrophobicContact CD1-CE3 4.18Å; F104-W204 HydrophobicContact CD2-CZ3 4.39Å; F104-W204 HydrophobicContact CE2-CZ3 4.2Å; L109-W204 HydrophobicContact CD2-CE3 4.46Å; L109-W204 HydrophobicContact CD2-CZ3 3.78Å; I112-W204 HydrophobicContact CD1-CE3 4.41Å; L150-W204 HydrophobicContact CB-CZ2 4.23Å; V151-W204 HydrophobicContact CB-CZ2 4.39Å; V151-W204 HydrophobicContact CG2-CH2 4.49Å; V151-W204 HydrophobicContact CG2-CZ2 3.79Å; I154-W204 HydrophobicContact CB-CH2 4.11Å; I154-W204 HydrophobicContact CD1-CH2 3.5Å; I154-W204 HydrophobicContact CD1-CZ2 4.08Å; I154-W204 HydrophobicContact CD1-CZ3 4.38Å; I154-W204 HydrophobicContact CG1-CH2 4.34Å; I154-W204 HydrophobicContact CG2-CH2 4.25Å; I154-W204 HydrophobicContact CG2-CZ3 4.48Å; T185-W204 CarbonylContact O-C 3.55Å; T185-W204 WeakPolarHBondContact O-CA 3.29Å; L186-W204 HydrophobicContact CD1-CB 4.39Å; L186-W204 HydrophobicContact CD1-CD2 3.78Å; L186-W204 HydrophobicContact CD1-CE3 3.48Å; L186-W204 VanDerWaalsContact CD1-CE3 3.48Å; L186-W204 HydrophobicContact CD1-CG 4.2Å; L186-W204 HydrophobicContact CD1-CZ3 4.04Å; W204-L206 HydrophobicContact CG-CD2 4.48Å |
| 205 | M | 92.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 115.2 | 171.8 | -175.1 | -177.9 | -70.3 | 0 | 0 | 110.7 | F92 Y94 T185 V207 M562 M566 | F92-M205 HydrophobicContact CD1-CG 3.87Å; F92-M205 HydrophobicContact CD1-SD 3.51Å; F92-M205 VanDerWaalsContact CD1-SD 3.51Å; F92-M205 HydrophobicContact CE1-SD 3.82Å; Y94-M205 HydrophobicContact CD2-CB 3.73Å; Y94-M205 HydrophobicContact CD2-CE 3.78Å; Y94-M205 HydrophobicContact CD2-CG 4.14Å; Y94-M205 HydrophobicContact CE2-CB 3.92Å; Y94-M205 HydrophobicContact CE2-CE 3.85Å; T185-M205 PolarHBondContact O-N 2.82Å; M205-V207 HydrophobicContact CG-CG2 4.33Å; M205-M562 HydrophobicContact CE-CE 3.69Å; M205-M562 HydrophobicContact CE-SD 3.19Å; M205-M562 WeakPolarHBondContact CE-SD 3.48Å; M205-M566 HydrophobicContact CE-CE 4.48Å |
| 206 | L | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 144.1 | 167.6 | -52 | -178.4 | 0 | 0 | 0 | 109.5 | F92 L93 V95 I112 N116 N148 V151 W204 Y208 | F92-L206 WeakPolarHBondContact CA-O 3.41Å; L93-L206 HydrophobicContact CB-CB 4.24Å; L93-L206 HydrophobicContact CD2-CD1 4.25Å; L93-L206 PolarHBondContact N-O 2.94Å; L93-L206 PolarHBondContact O-N 3.24Å; V95-L206 HydrophobicContact CG2-CD1 4.25Å; V95-L206 HydrophobicContact CG2-CG 4.3Å; I112-L206 HydrophobicContact CG2-CD1 4.29Å; I112-L206 HydrophobicContact CG2-CD2 4.33Å; N116-L206 HydrophobicContact CB-CD1 4.28Å; N148-L206 HydrophobicContact CB-CD2 4.35Å; V151-L206 HydrophobicContact CG2-CD2 3.51Å; W204-L206 HydrophobicContact CG-CD2 4.48Å; L206-Y208 HydrophobicContact CB-CE2 3.93Å; L206-Y208 WeakPolarHBondContact CD1-OH 3.37Å |
| 207 | V | 92.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.5 | -177.2 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | F79 C91 F92 N148 M205 | F79-V207 HydrophobicContact CZ-CG1 4.13Å; C91-V207 CarbonylContact O-C 3.56Å; C91-V207 WeakPolarHBondContact O-CA 3.44Å; F92-V207 HydrophobicContact CD1-CB 4.4Å; F92-V207 HydrophobicContact CD1-CG1 4.17Å; F92-V207 HydrophobicContact CD1-CG2 3.76Å; F92-V207 HydrophobicContact CE1-CB 4.37Å; F92-V207 HydrophobicContact CE1-CG1 3.82Å; F92-V207 HydrophobicContact CE1-CG2 3.71Å; F92-V207 HydrophobicContact CZ-CG1 4.38Å; N148-V207 PolarHBondContact ND2-O 3.47Å; N148-V207 VanDerWaalsContact ND2-O 3.14Å; N148-V207 PolarHBondContact OD1-N 2.89Å; N148-V207 PolarHBondContact OD1-O 3.25Å; M205-V207 HydrophobicContact CG-CG2 4.33Å |
| 208 | Y | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 90.7 | 178.3 | -56.6 | -80.8 | 0 | 0 | 0 | 108.6 | C91 L93 N116 V119 I120 Y134 N148 L206 F228 | C91-Y208 PolarHBondContact N-O 2.92Å; C91-Y208 PolarHBondContact O-N 2.8Å; L93-Y208 HydrophobicContact CB-CE2 4.17Å; N116-Y208 WeakPolarHBondContact OD1-CE1 3.33Å; N116-Y208 PolarHBondContact OD1-OH 3.3Å; V119-Y208 HydrophobicContact CB-CE1 3.94Å; V119-Y208 HydrophobicContact CB-CE2 4.37Å; V119-Y208 HydrophobicContact CG1-CD1 3.71Å; V119-Y208 HydrophobicContact CG1-CD2 4.08Å; V119-Y208 HydrophobicContact CG1-CE1 3.49Å; V119-Y208 VanDerWaalsContact CG1-CE1 3.49Å; V119-Y208 HydrophobicContact CG1-CE2 3.87Å; V119-Y208 HydrophobicContact CG1-CG 4Å; V119-Y208 HydrophobicContact CG2-CE2 4.28Å; I120-Y208 HydrophobicContact CG1-CE1 4.27Å; Y134-Y208 HydrophobicContact CE1-CD1 4.42Å; Y134-Y208 HydrophobicContact CE2-CD1 4.2Å; Y134-Y208 HydrophobicContact CE2-CG 4.48Å; N148-Y208 WeakPolarHBondContact ND2-CE1 3.39Å; L206-Y208 HydrophobicContact CB-CE2 3.93Å; L206-Y208 WeakPolarHBondContact CD1-OH 3.37Å; Y208-F228 AromaticContact CD2-CE2 3.98Å; Y208-F228 HydrophobicContact CD2-CE2 3.98Å; Y208-F228 HydrophobicContact CD2-CZ 4.17Å; Y208-F228 HydrophobicContact CE2-CE2 4.19Å; Y208-F228 HydrophobicContact CE2-CZ 4.48Å |
| 209 | P | 92.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 143.9 | 175.6 | 33.9 | -42.4 | 0 | 0 | 0 | 113.2 | F79 G89 Y134 C138 A139 | F79-P209 HydrophobicContact CD1-CB 3.93Å; F79-P209 HydrophobicContact CD1-CG 3.56Å; F79-P209 HydrophobicContact CD2-CB 3.45Å; F79-P209 VanDerWaalsContact CD2-CB 3.45Å; F79-P209 HydrophobicContact CD2-CG 4.06Å; F79-P209 HydrophobicContact CE1-CB 3.75Å; F79-P209 HydrophobicContact CE1-CG 3.41Å; F79-P209 VanDerWaalsContact CE1-CG 3.41Å; F79-P209 HydrophobicContact CE2-CB 3.22Å; F79-P209 HydrophobicContact CE2-CG 3.9Å; F79-P209 HydrophobicContact CG-CB 3.79Å; F79-P209 HydrophobicContact CG-CG 3.88Å; F79-P209 HydrophobicContact CZ-CB 3.4Å; F79-P209 VanDerWaalsContact CZ-CB 3.4Å; F79-P209 HydrophobicContact CZ-CG 3.6Å; G89-P209 CarbonylContact O-C 3.57Å; Y134-P209 VanDerWaalsContact OH-CD 3.24Å; Y134-P209 WeakPolarHBondContact OH-CD 3.36Å; C138-P209 VanDerWaalsContact CA-O 3.27Å; C138-P209 WeakPolarHBondContact CA-O 3.43Å; A139-P209 HydrophobicContact CB-CB 3.97Å; A139-P209 HydrophobicContact CB-CG 4.43Å; A139-P209 PolarHBondContact N-O 2.89Å |
| 210 | L | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -122.2 | 151 | -177 | -57.6 | 173.1 | 0 | 0 | 0 | 110 | G89 Y134 V137 F212 K221 W224 Q225 | G89-L210 WeakPolarHBondContact O-CB 3.12Å; G89-L210 PolarHBondContact O-N 3.49Å; Y134-L210 HydrophobicContact CD2-CD2 4.14Å; Y134-L210 HydrophobicContact CE2-CD2 4.03Å; V137-L210 HydrophobicContact CB-CD2 4.35Å; V137-L210 HydrophobicContact CG2-CD2 3.69Å; V137-L210 CarbonylContact O-C 3.56Å; V137-L210 WeakPolarHBondContact O-CA 3.44Å; L210-F212 WeakPolarHBondContact O-CD1 3.35Å; L210-K221 HydrophobicContact CB-CB 4.41Å; L210-K221 HydrophobicContact CB-CG 3.71Å; L210-K221 HydrophobicContact CD1-CG 3.71Å; L210-K221 HydrophobicContact CG-CG 4.38Å; L210-W224 HydrophobicContact CD1-CE3 3.67Å; L210-W224 HydrophobicContact CD1-CZ3 4.13Å; L210-W224 HydrophobicContact CD2-CD2 4.1Å; L210-W224 HydrophobicContact CD2-CE3 3.67Å; L210-W224 HydrophobicContact CD2-CZ3 3.93Å; L210-W224 HydrophobicContact CG-CE3 4.25Å; L210-W224 HydrophobicContact CG-CZ3 4.46Å; L210-Q225 HydrophobicContact CD1-CG 3.53Å |
| 211 | E | 90.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | trans | -71.8 | 137.7 | 175.3 | -178.1 | 52.3 | -102.2 | 0 | 0 | 110.2 | S76 V137 S213 D217 | S76-E211 WeakPolarHBondContact CB-OE1 3.01Å; S76-E211 WeakPolarHBondContact CB-OE2 3.24Å; S76-E211 PolarHBondContact OG-OE1 2.84Å; S76-E211 PolarHBondContact OG-OE2 3.06Å; V137-E211 PolarHBondContact O-N 3.36Å; E211-S213 WeakPolarHBondContact OE1-CB 3.44Å; E211-S213 PolarHBondContact OE1-N 3.04Å; E211-S213 PolarHBondContact OE1-OG 3.2Å; E211-D217 HydrophobicContact CB-CB 4.44Å; E211-D217 HydrophobicContact CG-CB 3.86Å | ||
| 212 | F | 89.2 | Confident | 91.7 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | trans | -146.3 | 14.8 | -177.7 | 62 | -97.5 | 0 | 0 | 0 | 113.7 | E74 L210 K218 K221 | E74-F212 HydrophobicContact CB-CE2 4.31Å; E74-F212 HydrophobicContact CB-CZ 4.27Å; L210-F212 WeakPolarHBondContact O-CD1 3.35Å; F212-K218 HydrophobicContact CB-CG 4.27Å; F212-K218 WeakPolarHBondContact O-CE 3.36Å; F212-K221 HydrophobicContact CB-CD 4.18Å | ||
| 213 | S | 86.6 | Confident | 91.8 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -67.8 | -46.7 | -175.2 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | S76 E211 | S76-S213 PolarHBondContact OG-OG 3.12Å; E211-S213 WeakPolarHBondContact OE1-CB 3.44Å; E211-S213 PolarHBondContact OE1-N 3.04Å; E211-S213 PolarHBondContact OE1-OG 3.2Å |
| 214 | S | 88.9 | Confident | 92 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -96.8 | 168.6 | 178.6 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | D216 D217 K218 | S214-D216 VanDerWaalsContact C-N 3.3Å; S214-D216 PolarHBondContact OG-N 2.66Å; S214-D217 VanDerWaalsContact CB-OD2 3.28Å; S214-D217 WeakPolarHBondContact CB-OD2 3.44Å; S214-D217 PolarHBondContact N-OD2 3.18Å; S214-D217 VanDerWaalsContact N-OD2 3.14Å; S214-D217 PolarHBondContact O-N 3.49Å; S214-D217 PolarHBondContact OG-N 2.91Å; S214-D217 VanDerWaalsContact OG-N 3.1Å; S214-D217 PolarHBondContact OG-OD2 2.84Å; S214-K218 WeakPolarHBondContact O-CG 3.46Å; S214-K218 PolarHBondContact O-N 2.95Å |
| 215 | S | 88.8 | Confident | 92.1 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 61% | 0.608 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.7 | -39.4 | 172.6 | 50 | 0 | 0 | 0 | 0 | 112.4 | D217 K218 F219 | S215-D217 VanDerWaalsContact C-N 3.34Å; S215-K218 PolarHBondContact O-N 3.47Å; S215-F219 PolarHBondContact O-N 3.35Å |
| 216 | D | 90.2 | Very high | 92.1 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.2 | -38 | -179.6 | -63 | -5.6 | 0 | 0 | 0 | 110.3 | S214 F219 R220 | S214-D216 VanDerWaalsContact C-N 3.3Å; S214-D216 PolarHBondContact OG-N 2.66Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-R220 WeakPolarHBondContact O-CG 3.12Å; D216-R220 PolarHBondContact O-N 2.88Å |
| 217 | D | 90.2 | Very high | 92.2 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.7 | -60.4 | -38 | 0 | 0 | 0 | 111.3 | E211 S214 S215 F219 R220 K221 | E211-D217 HydrophobicContact CB-CB 4.44Å; E211-D217 HydrophobicContact CG-CB 3.86Å; S214-D217 VanDerWaalsContact CB-OD2 3.28Å; S214-D217 WeakPolarHBondContact CB-OD2 3.44Å; S214-D217 PolarHBondContact N-OD2 3.18Å; S214-D217 VanDerWaalsContact N-OD2 3.14Å; S214-D217 PolarHBondContact O-N 3.49Å; S214-D217 PolarHBondContact OG-N 2.91Å; S214-D217 VanDerWaalsContact OG-N 3.1Å; S214-D217 PolarHBondContact OG-OD2 2.84Å; S215-D217 VanDerWaalsContact C-N 3.34Å; D217-F219 VanDerWaalsContact C-N 3.32Å; D217-F219 PolarHBondContact O-N 3.36Å; D217-R220 PolarHBondContact O-N 2.99Å; D217-K221 WeakPolarHBondContact O-CB 3.46Å; D217-K221 PolarHBondContact O-N 3.34Å |
| 218 | K | 90.8 | Very high | 92.4 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 47% | 0.474 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 174.3 | -71.2 | 170 | -172.4 | 175.3 | 0 | 111.7 | F212 S214 S215 K221 D222 | F212-K218 HydrophobicContact CB-CG 4.27Å; F212-K218 WeakPolarHBondContact O-CE 3.36Å; S214-K218 WeakPolarHBondContact O-CG 3.46Å; S214-K218 PolarHBondContact O-N 2.95Å; S215-K218 PolarHBondContact O-N 3.47Å; K218-K221 WeakPolarHBondContact O-CB 3.37Å; K218-K221 PolarHBondContact O-N 3.02Å; K218-D222 PolarHBondContact O-N 3.48Å |
| 219 | F | 93.1 | Very high | 92.4 | Very high | 120 Ų | 120 | 48.4 Ų | 48.4 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 176.1 | 176.3 | -101.9 | 0 | 0 | 0 | 112.2 | S215 D216 D217 D222 L223 | S215-F219 PolarHBondContact O-N 3.35Å; D216-F219 PolarHBondContact O-N 3.48Å; D217-F219 VanDerWaalsContact C-N 3.32Å; D217-F219 PolarHBondContact O-N 3.36Å; F219-D222 PolarHBondContact O-N 2.98Å; F219-L223 WeakPolarHBondContact O-CB 3.16Å; F219-L223 PolarHBondContact O-N 3.42Å |
| 220 | R | 93.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 177 | -71.4 | 174.2 | -178 | 153.4 | 10.9 | 112.7 | D127 L132 V137 D216 D217 L223 W224 | D127-R220 IonicContact OD2-CZ 3.93Å; D127-R220 IonicContact OD2-NE 2.86Å; D127-R220 PolarHBondContact OD2-NE 3.13Å; D127-R220 IonicContact OD2-NH2 3.11Å; L132-R220 HydrophobicContact CD1-CB 4.4Å; L132-R220 HydrophobicContact CD1-CG 3.77Å; V137-R220 HydrophobicContact CG1-CB 4.22Å; D216-R220 WeakPolarHBondContact O-CG 3.12Å; D216-R220 PolarHBondContact O-N 2.88Å; D217-R220 PolarHBondContact O-N 2.99Å; R220-L223 PolarHBondContact O-N 3.42Å; R220-W224 WeakPolarHBondContact O-CB 3.34Å; R220-W224 PolarHBondContact O-N 3.34Å |
| 221 | K | 93.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.078 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.6 | -53 | 174 | -178.7 | -140.5 | 66.9 | 145.4 | 0 | 109.8 | L210 F212 D217 K218 L223 W224 Q225 D247 | L210-K221 HydrophobicContact CB-CB 4.41Å; L210-K221 HydrophobicContact CB-CG 3.71Å; L210-K221 HydrophobicContact CD1-CG 3.71Å; L210-K221 HydrophobicContact CG-CG 4.38Å; F212-K221 HydrophobicContact CB-CD 4.18Å; D217-K221 WeakPolarHBondContact O-CB 3.46Å; D217-K221 PolarHBondContact O-N 3.34Å; K218-K221 WeakPolarHBondContact O-CB 3.37Å; K218-K221 PolarHBondContact O-N 3.02Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.41Å; K221-W224 PolarHBondContact O-N 2.76Å; K221-Q225 HydrophobicContact CG-CG 4.49Å; K221-Q225 VanDerWaalsContact O-CB 3.3Å; K221-Q225 WeakPolarHBondContact O-CB 3.43Å; K221-Q225 WeakPolarHBondContact O-CG 3.44Å; K221-Q225 PolarHBondContact O-N 2.9Å; K221-D247 IonicContact NZ-OD1 2.76Å; K221-D247 IonicContact NZ-OD2 2.67Å; K221-D247 PolarHBondContact NZ-OD2 2.97Å |
| 222 | D | 93.1 | Very high | 92.9 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 179 | -65.4 | -23.3 | 0 | 0 | 0 | 111.3 | K218 F219 Q225 A226 | K218-D222 PolarHBondContact O-N 3.48Å; F219-D222 PolarHBondContact O-N 2.98Å; D222-Q225 PolarHBondContact O-N 3.36Å; D222-A226 PolarHBondContact O-N 3.3Å |
| 223 | L | 94.3 | Very high | 93 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.4 | -174.7 | 65.8 | 0 | 0 | 0 | 112.2 | V125 F219 R220 K221 E227 | V125-L223 HydrophobicContact CB-CD2 3.84Å; V125-L223 HydrophobicContact CB-CG 3.87Å; V125-L223 HydrophobicContact CG1-CG 4.11Å; V125-L223 HydrophobicContact CG2-CD2 3.9Å; V125-L223 HydrophobicContact CG2-CG 4.1Å; F219-L223 WeakPolarHBondContact O-CB 3.16Å; F219-L223 PolarHBondContact O-N 3.42Å; R220-L223 PolarHBondContact O-N 3.42Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-L223 PolarHBondContact O-N 3.41Å; L223-E227 PolarHBondContact O-N 2.76Å |
| 224 | W | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 179.1 | -169.4 | 94.6 | 0 | 0 | 0 | 112 | C91 V119 I123 V125 Y134 V137 L210 R220 K221 A226 E227 F228 | C91-W224 HydrophobicContact CB-CZ3 4.21Å; V119-W224 HydrophobicContact CG1-CH2 3.96Å; V119-W224 HydrophobicContact CG1-CZ2 4.16Å; I123-W224 HydrophobicContact CB-CZ2 4.39Å; I123-W224 HydrophobicContact CG2-CZ2 4.14Å; V125-W224 HydrophobicContact CG1-CB 4.49Å; V125-W224 HydrophobicContact CG2-CB 4.31Å; Y134-W224 AromaticContact CD2-CH2 3.84Å; Y134-W224 HydrophobicContact CD2-CH2 3.84Å; Y134-W224 AromaticContact CD2-CZ2 3.65Å; Y134-W224 HydrophobicContact CD2-CZ2 3.65Å; Y134-W224 HydrophobicContact CE2-CH2 4.43Å; Y134-W224 HydrophobicContact CG-CZ2 4.17Å; V137-W224 HydrophobicContact CG2-CB 4.16Å; V137-W224 HydrophobicContact CG2-CD2 4.09Å; V137-W224 HydrophobicContact CG2-CG 3.71Å; L210-W224 HydrophobicContact CD1-CE3 3.67Å; L210-W224 HydrophobicContact CD1-CZ3 4.13Å; L210-W224 HydrophobicContact CD2-CD2 4.1Å; L210-W224 HydrophobicContact CD2-CE3 3.67Å; L210-W224 HydrophobicContact CD2-CZ3 3.93Å; L210-W224 HydrophobicContact CG-CE3 4.25Å; L210-W224 HydrophobicContact CG-CZ3 4.46Å; R220-W224 WeakPolarHBondContact O-CB 3.34Å; R220-W224 PolarHBondContact O-N 3.34Å; K221-W224 PolarHBondContact O-N 2.76Å; W224-A226 PolarHBondContact O-N 3.34Å; W224-E227 PolarHBondContact O-N 3.12Å; W224-F228 HydrophobicContact CD2-CB 4.47Å; W224-F228 HydrophobicContact CE3-CB 3.86Å; W224-F228 HydrophobicContact CE3-CG 4.47Å; W224-F228 HydrophobicContact CH2-CB 4.07Å; W224-F228 AromaticContact CH2-CD2 3.66Å; W224-F228 HydrophobicContact CH2-CD2 3.66Å; W224-F228 HydrophobicContact CH2-CE2 4.41Å; W224-F228 HydrophobicContact CH2-CG 4.05Å; W224-F228 HydrophobicContact CZ2-CD2 4.48Å; W224-F228 HydrophobicContact CZ3-CB 3.65Å; W224-F228 AromaticContact CZ3-CD2 3.88Å; W224-F228 HydrophobicContact CZ3-CD2 3.88Å; W224-F228 AromaticContact CZ3-CG 3.78Å; W224-F228 HydrophobicContact CZ3-CG 3.78Å; W224-F228 VanDerWaalsContact O-CB 3.31Å; W224-F228 WeakPolarHBondContact O-CB 3.44Å; W224-F228 PolarHBondContact O-N 2.84Å |
| 225 | Q | 95.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.8 | -78.9 | 178.2 | -35.5 | 0 | 0 | 112 | C91 L210 K221 D222 E227 F228 E229 D247 | C91-Q225 VanDerWaalsContact SG-CG 3.59Å; L210-Q225 HydrophobicContact CD1-CG 3.53Å; K221-Q225 HydrophobicContact CG-CG 4.49Å; K221-Q225 VanDerWaalsContact O-CB 3.3Å; K221-Q225 WeakPolarHBondContact O-CB 3.43Å; K221-Q225 WeakPolarHBondContact O-CG 3.44Å; K221-Q225 PolarHBondContact O-N 2.9Å; D222-Q225 PolarHBondContact O-N 3.36Å; Q225-E227 PolarHBondContact O-N 2.91Å; Q225-F228 PolarHBondContact O-N 3.39Å; Q225-E229 WeakPolarHBondContact O-CB 3.3Å; Q225-E229 PolarHBondContact O-N 3.23Å; Q225-D247 PolarHBondContact NE2-OD1 3.24Å; Q225-D247 PolarHBondContact OE1-OD1 3.44Å |
| 226 | A | 94.3 | Very high | 93.7 | Very high | 58 Ų | 58 | 64 Ų | 64 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D222 W224 K230 | D222-A226 PolarHBondContact O-N 3.3Å; W224-A226 PolarHBondContact O-N 3.34Å; A226-K230 VanDerWaalsContact O-CB 3.31Å; A226-K230 WeakPolarHBondContact O-CB 3.49Å; A226-K230 PolarHBondContact O-N 3.49Å |
| 227 | E | 95.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.5 | -37.1 | 176.4 | -171.4 | 66 | -169.5 | 0 | 0 | 111.7 | I123 V125 L223 W224 Q225 K230 R231 | I123-E227 HydrophobicContact CG2-CB 4.5Å; I123-E227 HydrophobicContact CG2-CG 4.15Å; V125-E227 HydrophobicContact CG1-CB 3.59Å; V125-E227 HydrophobicContact CG1-CG 4.07Å; L223-E227 PolarHBondContact O-N 2.76Å; W224-E227 PolarHBondContact O-N 3.12Å; Q225-E227 PolarHBondContact O-N 2.91Å; E227-K230 PolarHBondContact O-N 2.86Å; E227-K230 IonicContact OE2-NZ 3.56Å; E227-R231 HydrophobicContact CG-CG 4.17Å; E227-R231 VanDerWaalsContact O-CB 3.3Å; E227-R231 WeakPolarHBondContact O-CB 3.36Å; E227-R231 WeakPolarHBondContact O-CG 3.31Å; E227-R231 PolarHBondContact O-N 3.2Å; E227-R231 IonicContact OE1-CZ 3.84Å; E227-R231 VanDerWaalsContact OE1-CZ 3.29Å; E227-R231 IonicContact OE1-NE 3.69Å; E227-R231 PolarHBondContact OE1-NE 2.78Å; E227-R231 IonicContact OE1-NH2 2.72Å; E227-R231 PolarHBondContact OE1-NH2 3.34Å |
| 228 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -49.9 | 173.1 | 170.4 | -97.9 | 0 | 0 | 0 | 111.5 | C91 L93 V119 I123 Y208 W224 Q225 R231 M232 V244 | C91-F228 HydrophobicContact CB-CD1 3.81Å; C91-F228 HydrophobicContact CB-CE1 3.54Å; C91-F228 HydrophobicContact CB-CG 4.41Å; C91-F228 HydrophobicContact CB-CZ 3.94Å; L93-F228 HydrophobicContact CB-CZ 4.42Å; V119-F228 HydrophobicContact CG1-CD2 3.96Å; V119-F228 HydrophobicContact CG1-CE2 3.84Å; V119-F228 HydrophobicContact CG2-CE2 4.09Å; I123-F228 HydrophobicContact CD1-CD2 3.88Å; Y208-F228 AromaticContact CD2-CE2 3.98Å; Y208-F228 HydrophobicContact CD2-CE2 3.98Å; Y208-F228 HydrophobicContact CD2-CZ 4.17Å; Y208-F228 HydrophobicContact CE2-CE2 4.19Å; Y208-F228 HydrophobicContact CE2-CZ 4.48Å; W224-F228 HydrophobicContact CD2-CB 4.47Å; W224-F228 HydrophobicContact CE3-CB 3.86Å; W224-F228 HydrophobicContact CE3-CG 4.47Å; W224-F228 HydrophobicContact CH2-CB 4.07Å; W224-F228 AromaticContact CH2-CD2 3.66Å; W224-F228 HydrophobicContact CH2-CD2 3.66Å; W224-F228 HydrophobicContact CH2-CE2 4.41Å; W224-F228 HydrophobicContact CH2-CG 4.05Å; W224-F228 HydrophobicContact CZ2-CD2 4.48Å; W224-F228 HydrophobicContact CZ3-CB 3.65Å; W224-F228 AromaticContact CZ3-CD2 3.88Å; W224-F228 HydrophobicContact CZ3-CD2 3.88Å; W224-F228 AromaticContact CZ3-CG 3.78Å; W224-F228 HydrophobicContact CZ3-CG 3.78Å; W224-F228 VanDerWaalsContact O-CB 3.31Å; W224-F228 WeakPolarHBondContact O-CB 3.44Å; W224-F228 PolarHBondContact O-N 2.84Å; Q225-F228 PolarHBondContact O-N 3.39Å; F228-R231 PolarHBondContact O-N 3.39Å; F228-M232 HydrophobicContact CD2-CG 3.77Å; F228-M232 HydrophobicContact CE2-CG 3.61Å; F228-M232 HydrophobicContact CG-CG 4.38Å; F228-M232 HydrophobicContact CZ-CG 4.1Å; F228-M232 VanDerWaalsContact O-CB 3.26Å; F228-M232 WeakPolarHBondContact O-CB 3.11Å; F228-M232 VanDerWaalsContact O-CG 3.26Å; F228-M232 WeakPolarHBondContact O-CG 3.41Å; F228-M232 PolarHBondContact O-N 2.93Å; F228-V244 HydrophobicContact CD1-CG1 4.01Å; F228-V244 HydrophobicContact CE1-CG1 3.44Å; F228-V244 VanDerWaalsContact CE1-CG1 3.44Å; F228-V244 HydrophobicContact CZ-CG1 4.2Å |
| 229 | E | 94.9 | Very high | 94 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 23% | 0.229 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -54.5 | 175.7 | -174.8 | -163.5 | 141.3 | 0 | 0 | 110.6 | Q225 R231 M232 T233 H246 Y554 | Q225-E229 WeakPolarHBondContact O-CB 3.3Å; Q225-E229 PolarHBondContact O-N 3.23Å; E229-R231 VanDerWaalsContact C-N 3.34Å; E229-R231 PolarHBondContact O-N 3.18Å; E229-M232 PolarHBondContact O-N 2.99Å; E229-T233 HydrophobicContact CG-CG2 4.15Å; E229-T233 VanDerWaalsContact O-CB 3.31Å; E229-T233 WeakPolarHBondContact O-CB 3.44Å; E229-T233 VanDerWaalsContact O-CG2 3.24Å; E229-T233 WeakPolarHBondContact O-CG2 2.94Å; E229-T233 PolarHBondContact O-N 3.03Å; E229-T233 PolarHBondContact O-OG1 3.32Å; E229-H246 IonicContact OE2-NE2 3.5Å; E229-H246 PolarHBondContact OE2-NE2 3.17Å; E229-H246 VanDerWaalsContact OE2-NE2 3.15Å; E229-Y554 HydrophobicContact CG-CE1 4.19Å; E229-Y554 HydrophobicContact CG-CE2 4.12Å; E229-Y554 WeakPolarHBondContact OE1-CE1 2.93Å; E229-Y554 PolarHBondContact OE1-OH 3Å; E229-Y554 PolarHBondContact OE2-OH 3.17Å |
| 230 | K | 94.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 55.2 Ų | 55.2 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.8 | -44.3 | -178.1 | 179.1 | -175.9 | 172.2 | -167.7 | 0 | 112.6 | A226 E227 T233 S234 | A226-K230 VanDerWaalsContact O-CB 3.31Å; A226-K230 WeakPolarHBondContact O-CB 3.49Å; A226-K230 PolarHBondContact O-N 3.49Å; E227-K230 PolarHBondContact O-N 2.86Å; E227-K230 IonicContact OE2-NZ 3.56Å; K230-T233 PolarHBondContact O-OG1 2.96Å; K230-S234 PolarHBondContact O-N 3.45Å; K230-S234 PolarHBondContact O-OG 3.34Å |
| 231 | R | 95.6 | Very high | 94.1 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.6 | -41.8 | -179.3 | -69.8 | -71.1 | -179.5 | 140.5 | 9.2 | 112 | I123 E227 F228 E229 S234 Y235 | I123-R231 HydrophobicContact CD1-CB 4.12Å; I123-R231 HydrophobicContact CG1-CB 4.34Å; I123-R231 HydrophobicContact CG1-CG 4.45Å; E227-R231 HydrophobicContact CG-CG 4.17Å; E227-R231 VanDerWaalsContact O-CB 3.3Å; E227-R231 WeakPolarHBondContact O-CB 3.36Å; E227-R231 WeakPolarHBondContact O-CG 3.31Å; E227-R231 PolarHBondContact O-N 3.2Å; E227-R231 IonicContact OE1-CZ 3.84Å; E227-R231 VanDerWaalsContact OE1-CZ 3.29Å; E227-R231 IonicContact OE1-NE 3.69Å; E227-R231 PolarHBondContact OE1-NE 2.78Å; E227-R231 IonicContact OE1-NH2 2.72Å; E227-R231 PolarHBondContact OE1-NH2 3.34Å; F228-R231 PolarHBondContact O-N 3.39Å; E229-R231 VanDerWaalsContact C-N 3.34Å; E229-R231 PolarHBondContact O-N 3.18Å; R231-S234 PolarHBondContact O-OG 3.13Å; R231-Y235 WeakPolarHBondContact O-CB 3.28Å; R231-Y235 PolarHBondContact O-N 3.49Å |
| 232 | M | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.8 | -25.2 | -173.9 | -64 | -47.5 | -57.1 | 0 | 0 | 113.4 | L93 V115 Y118 V119 I123 F228 E229 S234 Y235 L242 V244 | L93-M232 HydrophobicContact CD1-CB 4.28Å; L93-M232 HydrophobicContact CD1-CE 3.86Å; L93-M232 HydrophobicContact CD2-CE 3.68Å; L93-M232 HydrophobicContact CG-CE 4.45Å; V115-M232 HydrophobicContact CG1-CE 3.87Å; Y118-M232 HydrophobicContact CD1-SD 4.09Å; Y118-M232 HydrophobicContact CE1-SD 4.12Å; V119-M232 HydrophobicContact CG2-CE 4.12Å; V119-M232 HydrophobicContact CG2-CG 4.33Å; V119-M232 HydrophobicContact CG2-SD 3.64Å; I123-M232 HydrophobicContact CD1-CG 4.17Å; I123-M232 HydrophobicContact CD1-SD 4.05Å; F228-M232 HydrophobicContact CD2-CG 3.77Å; F228-M232 HydrophobicContact CE2-CG 3.61Å; F228-M232 HydrophobicContact CG-CG 4.38Å; F228-M232 HydrophobicContact CZ-CG 4.1Å; F228-M232 VanDerWaalsContact O-CB 3.26Å; F228-M232 WeakPolarHBondContact O-CB 3.11Å; F228-M232 VanDerWaalsContact O-CG 3.26Å; F228-M232 WeakPolarHBondContact O-CG 3.41Å; F228-M232 PolarHBondContact O-N 2.93Å; E229-M232 PolarHBondContact O-N 2.99Å; M232-S234 VanDerWaalsContact C-N 3.35Å; M232-Y235 HydrophobicContact CE-CG 4.28Å; M232-L242 HydrophobicContact CE-CD1 3.61Å; M232-V244 HydrophobicContact CB-CG1 4.48Å; M232-V244 HydrophobicContact CB-CG2 3.47Å; M232-V244 VanDerWaalsContact CB-CG2 3.47Å |
| 233 | T | 92.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 44% | 0.436 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.6 | -28.4 | 170.3 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | E229 K230 V244 Y554 | E229-T233 HydrophobicContact CG-CG2 4.15Å; E229-T233 VanDerWaalsContact O-CB 3.31Å; E229-T233 WeakPolarHBondContact O-CB 3.44Å; E229-T233 VanDerWaalsContact O-CG2 3.24Å; E229-T233 WeakPolarHBondContact O-CG2 2.94Å; E229-T233 PolarHBondContact O-N 3.03Å; E229-T233 PolarHBondContact O-OG1 3.32Å; K230-T233 PolarHBondContact O-OG1 2.96Å; T233-V244 HydrophobicContact CG2-CB 4.4Å; T233-V244 HydrophobicContact CG2-CG2 4.2Å; T233-Y554 HydrophobicContact CG2-CD1 4.44Å; T233-Y554 HydrophobicContact CG2-CD2 4.31Å; T233-Y554 HydrophobicContact CG2-CG 4.01Å |
| 234 | S | 92.7 | Very high | 94.3 | Very high | 82 Ų | 82 | 47.9 Ų | 47.9 | 57% | 0.573 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -93.5 | -5.6 | 175.3 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | K230 R231 M232 E236 | K230-S234 PolarHBondContact O-N 3.45Å; K230-S234 PolarHBondContact O-OG 3.34Å; R231-S234 PolarHBondContact O-OG 3.13Å; M232-S234 VanDerWaalsContact C-N 3.35Å; S234-E236 PolarHBondContact O-N 3.26Å |
| 235 | Y | 94 | Very high | 94.2 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | trans | -75.2 | 114.9 | -179.5 | -167.9 | -84.6 | 0 | 0 | 0 | 110.9 | V115 Y118 R231 M232 D237 L242 | V115-Y235 HydrophobicContact CG2-CE1 3.74Å; Y118-Y235 AromaticContact CD1-CD2 3.86Å; Y118-Y235 HydrophobicContact CD1-CD2 3.86Å; Y118-Y235 AromaticContact CD1-CE2 3.69Å; Y118-Y235 HydrophobicContact CD1-CE2 3.69Å; Y118-Y235 AromaticContact CD2-CE2 3.94Å; Y118-Y235 HydrophobicContact CD2-CE2 3.94Å; Y118-Y235 AromaticContact CE1-CD2 3.59Å; Y118-Y235 HydrophobicContact CE1-CD2 3.59Å; Y118-Y235 AromaticContact CE1-CE2 3.79Å; Y118-Y235 HydrophobicContact CE1-CE2 3.79Å; Y118-Y235 HydrophobicContact CE2-CD2 4.44Å; Y118-Y235 HydrophobicContact CE2-CE2 4.05Å; Y118-Y235 HydrophobicContact CG-CD2 4.4Å; Y118-Y235 AromaticContact CG-CE2 3.77Å; Y118-Y235 HydrophobicContact CG-CE2 3.77Å; Y118-Y235 AromaticContact CZ-CD2 3.91Å; Y118-Y235 AromaticContact CZ-CE2 3.97Å; R231-Y235 WeakPolarHBondContact O-CB 3.28Å; R231-Y235 PolarHBondContact O-N 3.49Å; M232-Y235 HydrophobicContact CE-CG 4.28Å; Y235-D237 HydrophobicContact CD1-CB 4.45Å; Y235-D237 HydrophobicContact CE1-CB 4.01Å; Y235-L242 HydrophobicContact CD1-CD1 3.57Å; Y235-L242 HydrophobicContact CE1-CD1 4.28Å; Y235-L242 HydrophobicContact CG-CD1 4.29Å | ||
| 236 | E | 92 | Very high | 94.1 | Very high | 178 Ų | 178 | 48.5 Ų | 48.5 | 83% | 0.832 | 26% | 0.26 | S | S | * | . | trans | -103 | 124.9 | 173.2 | -66.4 | -171.3 | 173 | 0 | 0 | 111 | S234 | S234-E236 PolarHBondContact O-N 3.26Š| ||
| 237 | D | 92.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | trans | -114.5 | 139.7 | 171.4 | -171.1 | -89.6 | 0 | 0 | 0 | 109.8 | K98 Y235 L239 L240 | K98-D237 WeakPolarHBondContact CE-O 3.48Å; K98-D237 PolarHBondContact NZ-O 3.05Å; Y235-D237 HydrophobicContact CD1-CB 4.45Å; Y235-D237 HydrophobicContact CE1-CB 4.01Å; D237-L239 VanDerWaalsContact C-N 3.26Å; D237-L239 PolarHBondContact O-N 2.01Å; D237-L239 WeakPolarHBondContact OD1-CA 3.35Å; D237-L239 PolarHBondContact OD1-N 2.89Å; D237-L240 HydrophobicContact CB-CB 3.95Å; D237-L240 PolarHBondContact OD1-N 3.05Å | ||
| 238 | P | 91.9 | Very high | 93.4 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 70% | 0.695 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -63.1 | -28.3 | 180 | 23.7 | -34 | 0 | 0 | 0 | 113.9 | K98 | K98-P238 WeakPolarHBondContact CD-O 3.29Š|
| 239 | L | 93.3 | Very high | 93 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -106.4 | -36.9 | -174.3 | -60.3 | 176.7 | 0 | 0 | 0 | 112.4 | K98 M108 A111 D237 | K98-L239 WeakPolarHBondContact CB-O 3.12Å; K98-L239 PolarHBondContact N-O 2.94Å; M108-L239 HydrophobicContact CE-CB 3.98Å; M108-L239 HydrophobicContact CE-CD2 4.47Å; M108-L239 HydrophobicContact SD-CB 3.91Å; A111-L239 HydrophobicContact CB-CD1 4.46Å; D237-L239 VanDerWaalsContact C-N 3.26Å; D237-L239 PolarHBondContact O-N 2.01Å; D237-L239 WeakPolarHBondContact OD1-CA 3.35Å; D237-L239 PolarHBondContact OD1-N 2.89Å |
| 240 | L | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 141 | -170.9 | -55 | 177.7 | 0 | 0 | 0 | 112.8 | V95 K98 M108 A111 I112 V115 D237 L242 | V95-L240 HydrophobicContact CG1-CB 4.19Å; V95-L240 HydrophobicContact CG1-CD1 3.94Å; V95-L240 HydrophobicContact CG1-CD2 3.78Å; V95-L240 HydrophobicContact CG1-CG 4.19Å; K98-L240 WeakPolarHBondContact CE-O 3.29Å; M108-L240 HydrophobicContact SD-CD2 3.68Å; A111-L240 HydrophobicContact CB-CD1 3.66Å; A111-L240 HydrophobicContact CB-CD2 4.35Å; A111-L240 HydrophobicContact CB-CG 3.93Å; I112-L240 HydrophobicContact CG1-CD1 4.14Å; I112-L240 HydrophobicContact CG1-CD2 4.25Å; V115-L240 HydrophobicContact CG2-CD1 3.89Å; D237-L240 HydrophobicContact CB-CB 3.95Å; D237-L240 PolarHBondContact OD1-N 3.05Å; L240-L242 HydrophobicContact CB-CD2 4.12Å |
| 241 | S | 94 | Very high | 92.3 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.5 | 165.8 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | T96 K561 | T96-S241 PolarHBondContact N-O 2.88Å; T96-S241 PolarHBondContact O-N 2.99Å; T96-S241 PolarHBondContact OG1-O 3.21Å; T96-S241 VanDerWaalsContact OG1-O 3.07Å; S241-K561 PolarHBondContact O-NZ 2.93Å; S241-K561 VanDerWaalsContact O-NZ 3.1Å; S241-K561 PolarHBondContact OG-NZ 2.79Å |
| 242 | L | 94.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 144.8 | -175.2 | -54.9 | -178.7 | 0 | 0 | 0 | 110.9 | L93 V95 V115 M232 Y235 L240 | L93-L242 HydrophobicContact CD1-CB 4.03Å; L93-L242 HydrophobicContact CD1-CD1 4.5Å; L93-L242 HydrophobicContact CD2-CD2 4.26Å; L93-L242 HydrophobicContact CG-CD2 4.4Å; V95-L242 HydrophobicContact CB-CD2 4.23Å; V95-L242 HydrophobicContact CG1-CD2 3.89Å; V95-L242 HydrophobicContact CG2-CD2 3.8Å; V115-L242 HydrophobicContact CG1-CD1 4.14Å; V115-L242 HydrophobicContact CG1-CD2 4.46Å; M232-L242 HydrophobicContact CE-CD1 3.61Å; Y235-L242 HydrophobicContact CD1-CD1 3.57Å; Y235-L242 HydrophobicContact CE1-CD1 4.28Å; Y235-L242 HydrophobicContact CG-CD1 4.29Å; L240-L242 HydrophobicContact CB-CD2 4.12Å |
| 243 | S | 94.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 6% | 0.056 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 127.2 | 172 | -59 | 0 | 0 | 0 | 0 | 109.8 | Y94 K561 | Y94-S243 PolarHBondContact N-O 2.79Å; Y94-S243 PolarHBondContact O-N 2.77Å; S243-K561 WeakPolarHBondContact OG-CD 3.2Å; S243-K561 VanDerWaalsContact OG-CE 3.24Å; S243-K561 WeakPolarHBondContact OG-CE 3.4Å; S243-K561 PolarHBondContact OG-NZ 3.4Å |
| 244 | V | 94.8 | Very high | 91 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.3 | -167.5 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | L93 F228 M232 T233 Y554 | L93-V244 HydrophobicContact CD1-CG2 3.93Å; F228-V244 HydrophobicContact CD1-CG1 4.01Å; F228-V244 HydrophobicContact CE1-CG1 3.44Å; F228-V244 VanDerWaalsContact CE1-CG1 3.44Å; F228-V244 HydrophobicContact CZ-CG1 4.2Å; M232-V244 HydrophobicContact CB-CG1 4.48Å; M232-V244 HydrophobicContact CB-CG2 3.47Å; M232-V244 VanDerWaalsContact CB-CG2 3.47Å; T233-V244 HydrophobicContact CG2-CB 4.4Å; T233-V244 HydrophobicContact CG2-CG2 4.2Å; V244-Y554 HydrophobicContact CB-CD2 4.29Å; V244-Y554 WeakPolarHBondContact O-CD2 3.32Å |
| 245 | F | 94.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 144.5 | 171.4 | -179.8 | -98 | 0 | 0 | 0 | 110 | C91 F92 A249 V555 Y558 Y559 | C91-F245 CarbonylContact C-O 3.52Å; F92-F245 HydrophobicContact CB-CB 4.24Å; F92-F245 HydrophobicContact CB-CD1 4.5Å; F92-F245 AromaticContact CD2-CD1 3.68Å; F92-F245 HydrophobicContact CD2-CD1 3.68Å; F92-F245 HydrophobicContact CD2-CE1 4.33Å; F92-F245 HydrophobicContact CE2-CD1 4.31Å; F92-F245 HydrophobicContact CG-CD1 4.42Å; F92-F245 PolarHBondContact N-O 3.16Å; F92-F245 PolarHBondContact O-N 2.86Å; F245-A249 HydrophobicContact CD2-CB 4.02Å; F245-A249 HydrophobicContact CE2-CB 4.21Å; F245-V555 HydrophobicContact CD2-CG1 4.03Å; F245-V555 HydrophobicContact CE2-CG1 4.16Å; F245-Y558 HydrophobicContact CB-CD1 3.64Å; F245-Y558 HydrophobicContact CB-CD2 3.67Å; F245-Y558 HydrophobicContact CB-CE1 3.67Å; F245-Y558 HydrophobicContact CB-CE2 3.72Å; F245-Y558 HydrophobicContact CB-CG 3.63Å; F245-Y558 AromaticContact CD1-CE1 3.86Å; F245-Y558 HydrophobicContact CD1-CE1 3.86Å; F245-Y558 AromaticContact CD2-CD1 3.72Å; F245-Y558 HydrophobicContact CD2-CD1 3.72Å; F245-Y558 AromaticContact CD2-CE1 3.8Å; F245-Y558 HydrophobicContact CD2-CE1 3.8Å; F245-Y558 HydrophobicContact CD2-CG 4.43Å; F245-Y558 HydrophobicContact CE1-CE1 4.5Å; F245-Y558 HydrophobicContact CE2-CE1 4.43Å; F245-Y558 AromaticContact CG-CD1 3.71Å; F245-Y558 HydrophobicContact CG-CD1 3.71Å; F245-Y558 AromaticContact CG-CE1 3.49Å; F245-Y558 HydrophobicContact CG-CE1 3.49Å; F245-Y558 VanDerWaalsContact CG-CE1 3.49Å; F245-Y558 HydrophobicContact CG-CE2 4.39Å; F245-Y558 HydrophobicContact CG-CG 4.24Å; F245-Y558 AromaticContact CG-CZ 3.86Å; F245-Y559 HydrophobicContact CE2-CE2 4.17Å |
| 246 | H | 93.2 | Very high | 90 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 171.8 | 170.3 | 59.8 | 91.9 | 0 | 0 | 0 | 109.5 | Q90 E229 T248 A249 D252 Y554 | Q90-H246 WeakPolarHBondContact O-CA 3.44Å; E229-H246 IonicContact OE2-NE2 3.5Å; E229-H246 PolarHBondContact OE2-NE2 3.17Å; E229-H246 VanDerWaalsContact OE2-NE2 3.15Å; H246-T248 VanDerWaalsContact C-N 3.3Å; H246-T248 PolarHBondContact CE1-OG1 3.18Å; H246-T248 PolarHBondContact ND1-N 3.28Å; H246-T248 PolarHBondContact ND1-OG1 3.17Å; H246-T248 VanDerWaalsContact ND1-OG1 3.08Å; H246-T248 PolarHBondContact O-N 2.86Å; H246-A249 VanDerWaalsContact CE1-CA 3.46Å; H246-A249 WeakPolarHBondContact CE1-CA 3.36Å; H246-A249 PolarHBondContact CE1-N 2.71Å; H246-A249 VanDerWaalsContact CE1-N 3.28Å; H246-A249 PolarHBondContact ND1-N 3.48Å; H246-A249 WeakPolarHBondContact NE2-CB 3.39Å; H246-A249 VanDerWaalsContact O-CB 3.27Å; H246-A249 WeakPolarHBondContact O-CB 3.36Å; H246-A249 PolarHBondContact O-N 2.72Å; H246-A249 VanDerWaalsContact O-N 3.1Å; H246-D252 IonicContact CE1-OD2 3.26Å; H246-Y554 PolarHBondContact NE2-OH 3.08Å |
| 247 | D | 86.4 | Confident | 89.5 | Confident | 34 Ų | 34 | 28.9 Ų | 28.9 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -38.8 | -173.5 | 64 | -17.6 | 0 | 0 | 0 | 115.1 | S87 G89 Q90 K221 Q225 | S87-D247 WeakPolarHBondContact O-CB 3.47Å; G89-D247 PolarHBondContact N-OD2 2.81Å; Q90-D247 PolarHBondContact O-N 3.32Å; K221-D247 IonicContact NZ-OD1 2.76Å; K221-D247 IonicContact NZ-OD2 2.67Å; K221-D247 PolarHBondContact NZ-OD2 2.97Å; Q225-D247 PolarHBondContact NE2-OD1 3.24Å; Q225-D247 PolarHBondContact OE1-OD1 3.44Å |
| 248 | T | 87.4 | Confident | 88.8 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -3.7 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 114.6 | H246 L250 D251 D252 | H246-T248 VanDerWaalsContact C-N 3.3Å; H246-T248 PolarHBondContact CE1-OG1 3.18Å; H246-T248 PolarHBondContact ND1-N 3.28Å; H246-T248 PolarHBondContact ND1-OG1 3.17Å; H246-T248 VanDerWaalsContact ND1-OG1 3.08Å; H246-T248 PolarHBondContact O-N 2.86Å; T248-L250 VanDerWaalsContact C-N 3.3Å; T248-L250 PolarHBondContact O-N 3.43Å; T248-L250 VanDerWaalsContact O-N 3.16Å; T248-D251 WeakPolarHBondContact O-CB 3.46Å; T248-D251 PolarHBondContact O-N 2.85Å; T248-D252 VanDerWaalsContact CB-OD2 3.3Å; T248-D252 WeakPolarHBondContact CB-OD2 3.4Å; T248-D252 PolarHBondContact O-N 3.41Å; T248-D252 PolarHBondContact OG1-OD2 3.01Å |
| 249 | A | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F245 H246 E253 Y554 V555 | F245-A249 HydrophobicContact CD2-CB 4.02Å; F245-A249 HydrophobicContact CE2-CB 4.21Å; H246-A249 VanDerWaalsContact CE1-CA 3.46Å; H246-A249 WeakPolarHBondContact CE1-CA 3.36Å; H246-A249 PolarHBondContact CE1-N 2.71Å; H246-A249 VanDerWaalsContact CE1-N 3.28Å; H246-A249 PolarHBondContact ND1-N 3.48Å; H246-A249 WeakPolarHBondContact NE2-CB 3.39Å; H246-A249 VanDerWaalsContact O-CB 3.27Å; H246-A249 WeakPolarHBondContact O-CB 3.36Å; H246-A249 PolarHBondContact O-N 2.72Å; H246-A249 VanDerWaalsContact O-N 3.1Å; A249-E253 WeakPolarHBondContact O-CB 3.28Å; A249-E253 PolarHBondContact O-N 3.03Å; A249-Y554 HydrophobicContact CB-CE2 4.17Å; A249-V555 HydrophobicContact CB-CG2 3.64Å |
| 250 | L | 87.3 | Confident | 87.8 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.6 | 178.7 | 64.6 | 0 | 0 | 0 | 111.6 | A50 T248 L254 L549 Y559 | A50-L250 HydrophobicContact CB-CD2 3.72Å; A50-L250 HydrophobicContact CB-CG 4Å; T248-L250 VanDerWaalsContact C-N 3.3Å; T248-L250 PolarHBondContact O-N 3.43Å; T248-L250 VanDerWaalsContact O-N 3.16Å; L250-L254 VanDerWaalsContact O-CB 3.31Å; L250-L254 WeakPolarHBondContact O-CB 3.48Å; L250-L254 PolarHBondContact O-N 3.36Å; L250-L549 HydrophobicContact CD1-CD1 4.18Å; L250-L549 HydrophobicContact CD1-CD2 3.65Å; L250-L549 HydrophobicContact CD1-CG 4.16Å; L250-Y559 HydrophobicContact CD1-CE2 4.26Å |
| 251 | D | 86.3 | Confident | 87.4 | Confident | 35 Ų | 35 | 31 Ų | 31 | 19% | 0.187 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.1 | -45.3 | -179.6 | -63.5 | -15.5 | 0 | 0 | 0 | 109.6 | A50 T248 E253 L254 N255 | A50-D251 VanDerWaalsContact CB-OD1 3.24Å; A50-D251 WeakPolarHBondContact CB-OD1 3.46Å; A50-D251 PolarHBondContact N-OD1 3.34Å; T248-D251 WeakPolarHBondContact O-CB 3.46Å; T248-D251 PolarHBondContact O-N 2.85Å; D251-E253 PolarHBondContact O-N 3.22Å; D251-L254 WeakPolarHBondContact O-CB 3.49Å; D251-L254 PolarHBondContact O-N 2.74Å; D251-N255 PolarHBondContact O-N 2.98Å; D251-N255 PolarHBondContact O-ND2 3.02Å; D251-N255 VanDerWaalsContact O-ND2 3.12Å; D251-N255 PolarHBondContact O-OD1 3.15Å; D251-N255 VanDerWaalsContact O-OD1 3.08Å |
| 252 | D | 86.5 | Confident | 87 | Confident | 75 Ų | 75 | 32.2 Ų | 32.2 | 40% | 0.401 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 178.2 | -68.4 | -34.2 | 0 | 0 | 0 | 112.5 | H246 T248 N255 R256 | H246-D252 IonicContact CE1-OD2 3.26Å; T248-D252 VanDerWaalsContact CB-OD2 3.3Å; T248-D252 WeakPolarHBondContact CB-OD2 3.4Å; T248-D252 PolarHBondContact O-N 3.41Å; T248-D252 PolarHBondContact OG1-OD2 3.01Å; D252-N255 VanDerWaalsContact O-CB 3.24Å; D252-N255 WeakPolarHBondContact O-CB 3.5Å; D252-N255 PolarHBondContact O-N 2.97Å; D252-R256 PolarHBondContact O-N 2.81Å |
| 253 | E | 85.7 | Confident | 86.8 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.4 | -35.7 | 178.6 | -178.4 | 65.5 | -159.6 | 0 | 0 | 112.4 | A249 D251 N255 R256 L549 P550 S553 V555 | A249-E253 WeakPolarHBondContact O-CB 3.28Å; A249-E253 PolarHBondContact O-N 3.03Å; D251-E253 PolarHBondContact O-N 3.22Å; E253-N255 PolarHBondContact O-N 2.87Å; E253-R256 VanDerWaalsContact O-CB 3.24Å; E253-R256 WeakPolarHBondContact O-CB 3.16Å; E253-R256 PolarHBondContact O-N 3.29Å; E253-R256 VanDerWaalsContact O-N 3.09Å; E253-R256 IonicContact OE1-CZ 3.13Å; E253-R256 IonicContact OE1-NE 2.97Å; E253-R256 PolarHBondContact OE1-NE 3.06Å; E253-R256 IonicContact OE1-NH2 2.82Å; E253-R256 PolarHBondContact OE1-NH2 3.21Å; E253-R256 IonicContact OE2-CZ 3.9Å; E253-R256 IonicContact OE2-NE 3.05Å; E253-R256 PolarHBondContact OE2-NE 3.07Å; E253-R256 IonicContact OE2-NH2 2.73Å; E253-L549 HydrophobicContact CB-CD2 3.77Å; E253-L549 HydrophobicContact CG-CB 4.09Å; E253-L549 HydrophobicContact CG-CD1 4.36Å; E253-L549 HydrophobicContact CG-CD2 3.54Å; E253-L549 HydrophobicContact CG-CG 4.19Å; E253-P550 VanDerWaalsContact OE1-CD 3.23Å; E253-P550 WeakPolarHBondContact OE1-CD 3.41Å; E253-P550 VanDerWaalsContact OE1-CG 3.24Å; E253-P550 WeakPolarHBondContact OE1-CG 3.46Å; E253-S553 WeakPolarHBondContact CG-OG 3.45Å; E253-S553 VanDerWaalsContact OE1-CB 3.3Å; E253-S553 WeakPolarHBondContact OE1-CB 3.3Å; E253-V555 HydrophobicContact CB-CG2 4.27Å |
| 254 | L | 83.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -36.1 | 170.4 | 179.9 | 71.5 | 0 | 0 | 0 | 110.4 | Y54 L250 D251 R256 N257 L548 M846 | Y54-L254 HydrophobicContact CE2-CD1 4.48Å; Y54-L254 HydrophobicContact CE2-CD2 3.67Å; L250-L254 VanDerWaalsContact O-CB 3.31Å; L250-L254 WeakPolarHBondContact O-CB 3.48Å; L250-L254 PolarHBondContact O-N 3.36Å; D251-L254 WeakPolarHBondContact O-CB 3.49Å; D251-L254 PolarHBondContact O-N 2.74Å; L254-R256 PolarHBondContact O-N 3.35Å; L254-N257 WeakPolarHBondContact O-CB 3.3Å; L254-N257 PolarHBondContact O-N 2.96Å; L254-L548 HydrophobicContact CD1-CB 4.22Å; L254-M846 HydrophobicContact CD1-SD 4.46Å |
| 255 | N | 82 | Confident | 86.4 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -28 | 178.5 | -58.9 | -28.6 | 0 | 0 | 0 | 113.1 | D48 D251 D252 E253 N257 A258 Q259 K329 | D48-N255 PolarHBondContact OD1-OD1 2.81Å; D251-N255 PolarHBondContact O-N 2.98Å; D251-N255 PolarHBondContact O-ND2 3.02Å; D251-N255 VanDerWaalsContact O-ND2 3.12Å; D251-N255 PolarHBondContact O-OD1 3.15Å; D251-N255 VanDerWaalsContact O-OD1 3.08Å; D252-N255 VanDerWaalsContact O-CB 3.24Å; D252-N255 WeakPolarHBondContact O-CB 3.5Å; D252-N255 PolarHBondContact O-N 2.97Å; E253-N255 PolarHBondContact O-N 2.87Å; N255-N257 VanDerWaalsContact C-N 3.26Å; N255-N257 PolarHBondContact O-N 2.88Å; N255-A258 PolarHBondContact O-N 2.83Å; N255-Q259 PolarHBondContact O-N 3.46Å; N255-K329 HydrophobicContact CB-CD 3.95Å; N255-K329 PolarHBondContact ND2-NZ 2.93Å; N255-K329 WeakPolarHBondContact OD1-CD 3.1Å; N255-K329 WeakPolarHBondContact OD1-CE 3.3Å; N255-K329 PolarHBondContact OD1-NZ 3.11Å |
| 256 | R | 84 | Confident | 86.2 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 36% | 0.362 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.2 | -31.3 | 176.6 | -162.4 | 167.1 | 71.1 | 143.6 | 1.5 | 112.4 | D252 E253 L254 A258 Q259 V260 P550 | D252-R256 PolarHBondContact O-N 2.81Å; E253-R256 VanDerWaalsContact O-CB 3.24Å; E253-R256 WeakPolarHBondContact O-CB 3.16Å; E253-R256 PolarHBondContact O-N 3.29Å; E253-R256 VanDerWaalsContact O-N 3.09Å; E253-R256 IonicContact OE1-CZ 3.13Å; E253-R256 IonicContact OE1-NE 2.97Å; E253-R256 PolarHBondContact OE1-NE 3.06Å; E253-R256 IonicContact OE1-NH2 2.82Å; E253-R256 PolarHBondContact OE1-NH2 3.21Å; E253-R256 IonicContact OE2-CZ 3.9Å; E253-R256 IonicContact OE2-NE 3.05Å; E253-R256 PolarHBondContact OE2-NE 3.07Å; E253-R256 IonicContact OE2-NH2 2.73Å; L254-R256 PolarHBondContact O-N 3.35Å; R256-A258 VanDerWaalsContact C-N 3.29Å; R256-A258 PolarHBondContact O-N 3.09Å; R256-Q259 PolarHBondContact O-N 2.81Å; R256-V260 WeakPolarHBondContact O-CG2 3.26Å; R256-V260 PolarHBondContact O-N 2.81Å; R256-P550 HydrophobicContact CB-CG 4.34Å |
| 257 | N | 82.2 | Confident | 86.2 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57 | -42.3 | 174.2 | -74.9 | -46.1 | 0 | 0 | 0 | 112 | L254 N255 V260 L261 L548 P550 S844 M846 I847 | L254-N257 WeakPolarHBondContact O-CB 3.3Å; L254-N257 PolarHBondContact O-N 2.96Å; N255-N257 VanDerWaalsContact C-N 3.26Å; N255-N257 PolarHBondContact O-N 2.88Å; N257-V260 PolarHBondContact O-N 2.91Å; N257-L261 WeakPolarHBondContact O-CB 3.31Å; N257-L261 PolarHBondContact O-N 3.12Å; N257-L548 PolarHBondContact ND2-O 3.29Å; N257-P550 WeakPolarHBondContact OD1-CG 3.31Å; N257-S844 WeakPolarHBondContact OD1-CB 3.4Å; N257-S844 PolarHBondContact OD1-OG 3.02Å; N257-M846 HydrophobicContact CB-CE 3.75Å; N257-M846 WeakPolarHBondContact ND2-CE 3.46Å; N257-I847 HydrophobicContact CB-CD1 4.35Å |
| 258 | A | 78.2 | Confident | 86.6 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -36.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N255 R256 V260 L261 A262 K329 | N255-A258 PolarHBondContact O-N 2.83Å; R256-A258 VanDerWaalsContact C-N 3.29Å; R256-A258 PolarHBondContact O-N 3.09Å; A258-V260 VanDerWaalsContact C-N 3.28Å; A258-V260 PolarHBondContact O-N 2.78Å; A258-L261 PolarHBondContact O-N 3.48Å; A258-A262 PolarHBondContact O-N 2.74Å; A258-K329 HydrophobicContact CB-CB 3.96Å; A258-K329 HydrophobicContact CB-CD 4.03Å; A258-K329 HydrophobicContact CB-CG 3.94Å |
| 259 | Q | 81.1 | Confident | 86.8 | Confident | 140 Ų | 140 | 46.8 Ų | 46.8 | 65% | 0.654 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.3 | -35.3 | 175.3 | -65.6 | 178.4 | -4.8 | 0 | 0 | 111.9 | N255 R256 P263 | N255-Q259 PolarHBondContact O-N 3.46Å; R256-Q259 PolarHBondContact O-N 2.81Å; Q259-P263 WeakPolarHBondContact O-CD 3.24Å |
| 260 | V | 83.1 | Confident | 87 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 38% | 0.376 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -73.1 | -32.2 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.7 | R256 N257 A258 P263 L842 | R256-V260 WeakPolarHBondContact O-CG2 3.26Å; R256-V260 PolarHBondContact O-N 2.81Å; N257-V260 PolarHBondContact O-N 2.91Å; A258-V260 VanDerWaalsContact C-N 3.28Å; A258-V260 PolarHBondContact O-N 2.78Å; V260-P263 WeakPolarHBondContact O-CG 3.26Å; V260-L842 HydrophobicContact CG1-CD1 4.5Å; V260-L842 HydrophobicContact CG1-CD2 3.54Å |
| 261 | L | 86.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.6 | -44 | -178.3 | -176.5 | 61.6 | 0 | 0 | 0 | 113.1 | N257 A258 R264 A332 I333 F336 L839 L842 | N257-L261 WeakPolarHBondContact O-CB 3.31Å; N257-L261 PolarHBondContact O-N 3.12Å; A258-L261 PolarHBondContact O-N 3.48Å; L261-R264 WeakPolarHBondContact O-CB 3.27Å; L261-R264 PolarHBondContact O-N 3.35Å; L261-A332 HydrophobicContact CD2-CB 3.89Å; L261-A332 WeakPolarHBondContact CD2-O 3.26Å; L261-I333 HydrophobicContact CD2-CB 4.3Å; L261-I333 HydrophobicContact CD2-CG1 3.52Å; L261-F336 HydrophobicContact CD1-CD2 4.14Å; L261-F336 HydrophobicContact CD1-CE1 4.29Å; L261-F336 HydrophobicContact CD1-CE2 3.5Å; L261-F336 VanDerWaalsContact CD1-CE2 3.5Å; L261-F336 HydrophobicContact CD1-CZ 3.58Å; L261-F336 HydrophobicContact CD2-CE2 4.1Å; L261-F336 HydrophobicContact CG-CD2 4.4Å; L261-F336 HydrophobicContact CG-CE2 3.57Å; L261-F336 HydrophobicContact CG-CZ 3.95Å; L261-F336 WeakPolarHBondContact O-CZ 3.35Å; L261-L839 HydrophobicContact CD1-CD2 3.28Å; L261-L842 HydrophobicContact CD1-CD1 4.01Å |
| 262 | A | 85.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 51 Ų | 51 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -48.5 | -48.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A258 R264 L265 | A258-A262 PolarHBondContact O-N 2.74Å; A262-R264 PolarHBondContact O-N 2.67Å; A262-L265 VanDerWaalsContact O-CB 3.31Å; A262-L265 WeakPolarHBondContact O-CB 3.23Å; A262-L265 PolarHBondContact O-N 2.88Å |
| 263 | P | 88.9 | Confident | 88 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 56% | 0.558 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -68 | -17.9 | 180 | 26.7 | -35.4 | 0 | 0 | 0 | 113.9 | Q259 V260 L265 P267 | Q259-P263 WeakPolarHBondContact O-CD 3.24Å; V260-P263 WeakPolarHBondContact O-CG 3.26Å; P263-L265 VanDerWaalsContact C-N 3.3Å; P263-P267 WeakPolarHBondContact O-CD 3.37Å |
| 264 | R | 90.4 | Very high | 88.4 | Confident | 83 Ų | 83 | 53 Ų | 53 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -79.2 | -12.7 | 176.7 | -63.3 | -66.2 | -177.3 | 127.7 | -2.4 | 113 | L261 A262 P267 C268 F336 D841 L842 | L261-R264 WeakPolarHBondContact O-CB 3.27Å; L261-R264 PolarHBondContact O-N 3.35Å; A262-R264 PolarHBondContact O-N 2.67Å; R264-P267 WeakPolarHBondContact O-CD 3.4Å; R264-C268 PolarHBondContact O-N 2.97Å; R264-C268 VanDerWaalsContact O-N 3.11Å; R264-F336 HydrophobicContact CB-CE1 4.07Å; R264-F336 HydrophobicContact CB-CZ 4.16Å; R264-F336 WeakPolarHBondContact O-CE1 3.21Å; R264-D841 IonicContact NH2-OD2 2.68Å; R264-L842 HydrophobicContact CG-CD2 4.38Å |
| 265 | L | 90.6 | Very high | 88.8 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | -177.6 | -170.6 | 66.9 | 0 | 0 | 0 | 112.2 | A262 P263 C268 F269 P335 F336 | A262-L265 VanDerWaalsContact O-CB 3.31Å; A262-L265 WeakPolarHBondContact O-CB 3.23Å; A262-L265 PolarHBondContact O-N 2.88Å; P263-L265 VanDerWaalsContact C-N 3.3Å; L265-C268 VanDerWaalsContact O-CB 3.28Å; L265-C268 WeakPolarHBondContact O-CB 3.37Å; L265-C268 PolarHBondContact O-N 2.97Å; L265-F269 HydrophobicContact CD1-CD1 4.49Å; L265-F269 HydrophobicContact CD1-CE1 3.64Å; L265-F269 HydrophobicContact CD1-CE2 4.03Å; L265-F269 HydrophobicContact CD1-CZ 3.38Å; L265-F269 HydrophobicContact CD2-CE2 3.84Å; L265-F269 HydrophobicContact CD2-CZ 3.82Å; L265-F269 HydrophobicContact CG-CD2 4.24Å; L265-F269 HydrophobicContact CG-CE1 4.07Å; L265-F269 HydrophobicContact CG-CE2 3.53Å; L265-F269 HydrophobicContact CG-CZ 3.45Å; L265-F269 VanDerWaalsContact CG-CZ 3.45Å; L265-F269 WeakPolarHBondContact O-CG 3.48Å; L265-F269 PolarHBondContact O-N 3Å; L265-P335 HydrophobicContact CD1-CB 3.96Å; L265-F336 HydrophobicContact CB-CE1 4.24Å; L265-F336 HydrophobicContact CB-CE2 4.13Å; L265-F336 HydrophobicContact CB-CZ 3.64Å; L265-F336 HydrophobicContact CD1-CD1 4.21Å; L265-F336 HydrophobicContact CD1-CD2 3.77Å; L265-F336 HydrophobicContact CD1-CE1 4.03Å; L265-F336 HydrophobicContact CD1-CE2 3.55Å; L265-F336 HydrophobicContact CD1-CG 4.09Å; L265-F336 HydrophobicContact CD1-CZ 3.69Å; L265-F336 HydrophobicContact CG-CE2 4.41Å; L265-F336 HydrophobicContact CG-CZ 4.29Å; L265-F336 VanDerWaalsContact N-CZ 3.35Å |
| 266 | L | 91.8 | Very high | 89.2 | Confident | 120 Ų | 120 | 53.3 Ų | 53.3 | 63% | 0.628 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65 | -49.9 | 177.9 | 174.9 | 66.1 | 0 | 0 | 0 | 112.3 | C268 F269 V270 | L266-C268 PolarHBondContact O-N 3.21Å; L266-F269 PolarHBondContact O-N 3.41Å; L266-F269 VanDerWaalsContact O-N 3.16Å; L266-V270 HydrophobicContact CD1-CG2 4.22Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.35Å |
| 267 | P | 93.1 | Very high | 89.5 | Confident | 57 Ų | 57 | 50 Ų | 50 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.7 | -36.7 | 170.8 | -28 | 33.4 | 0 | 0 | 0 | 113.8 | P263 R264 V270 L271 L838 | P263-P267 WeakPolarHBondContact O-CD 3.37Å; R264-P267 WeakPolarHBondContact O-CD 3.4Å; P267-V270 PolarHBondContact O-N 2.85Å; P267-L271 VanDerWaalsContact O-CB 3.25Å; P267-L271 WeakPolarHBondContact O-CB 2.92Å; P267-L271 PolarHBondContact O-N 2.95Å; P267-L838 HydrophobicContact CB-CD1 4.02Å |
| 268 | C | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | R264 L265 L266 V270 L271 L272 F336 L838 | R264-C268 PolarHBondContact O-N 2.97Å; R264-C268 VanDerWaalsContact O-N 3.11Å; L265-C268 VanDerWaalsContact O-CB 3.28Å; L265-C268 WeakPolarHBondContact O-CB 3.37Å; L265-C268 PolarHBondContact O-N 2.97Å; L266-C268 PolarHBondContact O-N 3.21Å; C268-V270 VanDerWaalsContact C-N 3.34Å; C268-V270 PolarHBondContact O-N 3.15Å; C268-L271 PolarHBondContact O-N 3.02Å; C268-L272 WeakPolarHBondContact O-CB 3.35Å; C268-L272 VanDerWaalsContact O-CG 3.29Å; C268-L272 WeakPolarHBondContact O-CG 3.36Å; C268-L272 PolarHBondContact O-N 3.45Å; C268-F336 HydrophobicContact CB-CD1 3.76Å; C268-F336 HydrophobicContact CB-CE1 3.86Å; C268-L838 HydrophobicContact CB-CD1 3.54Å |
| 269 | F | 92.5 | Very high | 90 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 179.4 | -61.4 | -21.6 | 0 | 0 | 0 | 112.5 | L265 L266 L272 L273 V339 | L265-F269 HydrophobicContact CD1-CD1 4.49Å; L265-F269 HydrophobicContact CD1-CE1 3.64Å; L265-F269 HydrophobicContact CD1-CE2 4.03Å; L265-F269 HydrophobicContact CD1-CZ 3.38Å; L265-F269 HydrophobicContact CD2-CE2 3.84Å; L265-F269 HydrophobicContact CD2-CZ 3.82Å; L265-F269 HydrophobicContact CG-CD2 4.24Å; L265-F269 HydrophobicContact CG-CE1 4.07Å; L265-F269 HydrophobicContact CG-CE2 3.53Å; L265-F269 HydrophobicContact CG-CZ 3.45Å; L265-F269 VanDerWaalsContact CG-CZ 3.45Å; L265-F269 WeakPolarHBondContact O-CG 3.48Å; L265-F269 PolarHBondContact O-N 3Å; L266-F269 PolarHBondContact O-N 3.41Å; L266-F269 VanDerWaalsContact O-N 3.16Å; F269-L272 PolarHBondContact O-N 2.89Å; F269-L273 WeakPolarHBondContact O-CB 3.4Å; F269-L273 WeakPolarHBondContact O-CG 3.47Å; F269-L273 PolarHBondContact O-N 2.71Å; F269-V339 HydrophobicContact CD1-CG1 4.28Å; F269-V339 HydrophobicContact CE1-CB 4.21Å; F269-V339 HydrophobicContact CE1-CG1 4.17Å; F269-V339 HydrophobicContact CE1-CG2 3.94Å; F269-V339 HydrophobicContact CZ-CG2 4.46Å |
| 270 | V | 94.1 | Very high | 90 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L266 P267 C268 L272 L273 V274 | L266-V270 HydrophobicContact CD1-CG2 4.22Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.35Å; P267-V270 PolarHBondContact O-N 2.85Å; C268-V270 VanDerWaalsContact C-N 3.34Å; C268-V270 PolarHBondContact O-N 3.15Å; V270-L272 PolarHBondContact O-N 3.04Å; V270-L273 PolarHBondContact O-N 3.2Å; V270-V274 WeakPolarHBondContact O-CG2 3.21Å; V270-V274 PolarHBondContact O-N 3.34Å |
| 271 | L | 94.4 | Very high | 89.7 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 178 | -179 | 62 | 0 | 0 | 0 | 111.5 | P267 C268 V274 F275 L834 | P267-L271 VanDerWaalsContact O-CB 3.25Å; P267-L271 WeakPolarHBondContact O-CB 2.92Å; P267-L271 PolarHBondContact O-N 2.95Å; C268-L271 PolarHBondContact O-N 3.02Å; L271-V274 PolarHBondContact O-N 3.18Å; L271-F275 WeakPolarHBondContact O-CB 3.32Å; L271-F275 PolarHBondContact O-N 3.34Å; L271-L834 HydrophobicContact CD2-CB 4.11Å; L271-L834 HydrophobicContact CD2-CD2 4.19Å; L271-L834 HydrophobicContact CG-CB 4.44Å |
| 272 | L | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 176.5 | -69.6 | 175.2 | 0 | 0 | 0 | 111.9 | C268 F269 V270 F275 S276 V306 V339 I343 S831 | C268-L272 WeakPolarHBondContact O-CB 3.35Å; C268-L272 VanDerWaalsContact O-CG 3.29Å; C268-L272 WeakPolarHBondContact O-CG 3.36Å; C268-L272 PolarHBondContact O-N 3.45Å; F269-L272 PolarHBondContact O-N 2.89Å; V270-L272 PolarHBondContact O-N 3.04Å; L272-F275 PolarHBondContact O-N 3.4Å; L272-S276 WeakPolarHBondContact O-CB 3.43Å; L272-S276 PolarHBondContact O-N 3.02Å; L272-S276 PolarHBondContact O-OG 3.26Å; L272-V306 HydrophobicContact CB-CG1 4.49Å; L272-V339 HydrophobicContact CD1-CG1 3.95Å; L272-I343 HydrophobicContact CB-CD1 4.02Å; L272-I343 HydrophobicContact CD1-CD1 3.97Å; L272-I343 HydrophobicContact CD2-CD1 4.19Å; L272-I343 HydrophobicContact CG-CD1 4.29Å; L272-S831 WeakPolarHBondContact CD2-O 3.35Å |
| 273 | L | 93.3 | Very high | 88.4 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 174.6 | -78.1 | 168.7 | 0 | 0 | 0 | 111.9 | F269 V270 S276 A277 I303 V306 | F269-L273 WeakPolarHBondContact O-CB 3.4Å; F269-L273 WeakPolarHBondContact O-CG 3.47Å; F269-L273 PolarHBondContact O-N 2.71Å; V270-L273 PolarHBondContact O-N 3.2Å; L273-S276 PolarHBondContact O-N 3.14Å; L273-A277 WeakPolarHBondContact O-CB 3.19Å; L273-A277 PolarHBondContact O-N 2.68Å; L273-I303 HydrophobicContact CD2-CB 4.32Å; L273-I303 HydrophobicContact CD2-CG1 4.33Å; L273-I303 HydrophobicContact CD2-CG2 3.93Å; L273-V306 HydrophobicContact CD2-CB 3.73Å; L273-V306 HydrophobicContact CD2-CG1 3.84Å; L273-V306 HydrophobicContact CD2-CG2 4.13Å; L273-V306 HydrophobicContact CG-CB 4.38Å; L273-V306 HydrophobicContact CG-CG1 3.97Å |
| 274 | V | 92.6 | Very high | 87.5 | Confident | 78 Ų | 78 | 46 Ų | 46 | 47% | 0.473 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -49.8 | 177.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | V270 L271 S276 A277 L278 | V270-V274 WeakPolarHBondContact O-CG2 3.21Å; V270-V274 PolarHBondContact O-N 3.34Å; L271-V274 PolarHBondContact O-N 3.18Å; V274-S276 VanDerWaalsContact C-N 3.3Å; V274-S276 PolarHBondContact O-N 2.73Å; V274-A277 PolarHBondContact O-N 2.89Å; V274-L278 HydrophobicContact CG1-CD1 3.91Å; V274-L278 HydrophobicContact CG1-CG 4.43Å; V274-L278 VanDerWaalsContact O-CG 3.28Å; V274-L278 WeakPolarHBondContact O-CG 3.27Å; V274-L278 PolarHBondContact O-N 3.35Å |
| 275 | F | 93.1 | Very high | 86.4 | Confident | 33 Ų | 33 | 45 Ų | 45 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 177.8 | 174.8 | -103.5 | 0 | 0 | 0 | 112 | L271 L272 L278 S279 F347 I830 L834 | L271-F275 WeakPolarHBondContact O-CB 3.32Å; L271-F275 PolarHBondContact O-N 3.34Å; L272-F275 PolarHBondContact O-N 3.4Å; F275-L278 PolarHBondContact O-N 2.9Å; F275-S279 WeakPolarHBondContact CZ-OG 3.36Å; F275-S279 WeakPolarHBondContact O-CB 3.23Å; F275-S279 PolarHBondContact O-N 2.83Å; F275-S279 PolarHBondContact O-OG 3.21Å; F275-F347 HydrophobicContact CD1-CZ 4.26Å; F275-F347 AromaticContact CE1-CE2 3.97Å; F275-F347 HydrophobicContact CE1-CE2 3.97Å; F275-F347 AromaticContact CE1-CZ 3.94Å; F275-F347 HydrophobicContact CE1-CZ 3.94Å; F275-I830 HydrophobicContact CD2-CG2 4.28Å; F275-I830 HydrophobicContact CE1-CG2 4.36Å; F275-I830 HydrophobicContact CE2-CB 4.27Å; F275-I830 HydrophobicContact CE2-CG2 3.48Å; F275-I830 VanDerWaalsContact CE2-CG2 3.48Å; F275-I830 HydrophobicContact CZ-CB 3.84Å; F275-I830 HydrophobicContact CZ-CG2 3.53Å; F275-L834 HydrophobicContact CB-CD1 3.77Å; F275-L834 HydrophobicContact CD1-CD1 4.05Å; F275-L834 HydrophobicContact CD2-CD1 3.49Å; F275-L834 VanDerWaalsContact CD2-CD1 3.49Å; F275-L834 HydrophobicContact CE2-CD1 4.08Å; F275-L834 HydrophobicContact CG-CD1 3.47Å; F275-L834 VanDerWaalsContact CG-CD1 3.47Å |
| 276 | S | 91.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68 | -40.9 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | L272 L273 V274 S279 T280 A302 V306 | L272-S276 WeakPolarHBondContact O-CB 3.43Å; L272-S276 PolarHBondContact O-N 3.02Å; L272-S276 PolarHBondContact O-OG 3.26Å; L273-S276 PolarHBondContact O-N 3.14Å; V274-S276 VanDerWaalsContact C-N 3.3Å; V274-S276 PolarHBondContact O-N 2.73Å; S276-S279 PolarHBondContact O-N 3.29Å; S276-T280 WeakPolarHBondContact O-CG2 3.45Å; S276-T280 PolarHBondContact O-N 3.47Å; S276-A302 WeakPolarHBondContact O-CB 3.35Å; S276-V306 WeakPolarHBondContact OG-CG2 3.38Å |
| 277 | A | 88.5 | Confident | 84.1 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L273 V274 S279 T280 P299 | L273-A277 WeakPolarHBondContact O-CB 3.19Å; L273-A277 PolarHBondContact O-N 2.68Å; V274-A277 PolarHBondContact O-N 2.89Å; A277-S279 VanDerWaalsContact C-N 3.31Å; A277-S279 PolarHBondContact O-N 3.12Å; A277-T280 PolarHBondContact O-N 3.33Å; A277-T280 PolarHBondContact O-OG1 2.75Å; A277-P299 HydrophobicContact CB-CB 3.89Å |
| 278 | L | 87.2 | Confident | 82.9 | Confident | 105 Ų | 105 | 50.2 Ų | 50.2 | 55% | 0.55 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 176.5 | -68.1 | 173.8 | 0 | 0 | 0 | 112.3 | V274 F275 T280 I281 | V274-L278 HydrophobicContact CG1-CD1 3.91Å; V274-L278 HydrophobicContact CG1-CG 4.43Å; V274-L278 VanDerWaalsContact O-CG 3.28Å; V274-L278 WeakPolarHBondContact O-CG 3.27Å; V274-L278 PolarHBondContact O-N 3.35Å; F275-L278 PolarHBondContact O-N 2.9Å; L278-T280 PolarHBondContact O-N 3.43Å; L278-I281 HydrophobicContact CD2-CD1 4.11Å; L278-I281 WeakPolarHBondContact O-CB 3.35Å; L278-I281 WeakPolarHBondContact O-CG1 3.08Å; L278-I281 PolarHBondContact O-N 2.9Å; L278-I281 VanDerWaalsContact O-N 3.09Å |
| 279 | S | 84.9 | Confident | 81.9 | Confident | 20 Ų | 20 | 59 Ų | 59 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -16.5 | 178.7 | -71.7 | 0 | 0 | 0 | 0 | 114 | F275 S276 A277 I281 Q827 | F275-S279 WeakPolarHBondContact CZ-OG 3.36Å; F275-S279 WeakPolarHBondContact O-CB 3.23Å; F275-S279 PolarHBondContact O-N 2.83Å; F275-S279 PolarHBondContact O-OG 3.21Å; S276-S279 PolarHBondContact O-N 3.29Å; A277-S279 VanDerWaalsContact C-N 3.31Å; A277-S279 PolarHBondContact O-N 3.12Å; S279-I281 VanDerWaalsContact C-N 3.32Å; S279-Q827 VanDerWaalsContact CB-NE2 3.33Å; S279-Q827 PolarHBondContact O-NE2 2.84Å; S279-Q827 VanDerWaalsContact O-NE2 3.11Å |
| 280 | T | 80 | Confident | 80.9 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.2 | 173.4 | 65.2 | 0 | 0 | 0 | 0 | 114 | S276 A277 L278 Q282 S296 A302 I350 | S276-T280 WeakPolarHBondContact O-CG2 3.45Å; S276-T280 PolarHBondContact O-N 3.47Å; A277-T280 PolarHBondContact O-N 3.33Å; A277-T280 PolarHBondContact O-OG1 2.75Å; L278-T280 PolarHBondContact O-N 3.43Å; T280-Q282 PolarHBondContact O-N 3.03Å; T280-S296 PolarHBondContact O-OG 3.19Å; T280-A302 HydrophobicContact CG2-CB 3.32Å; T280-I350 HydrophobicContact CG2-CD1 4.45Å |
| 281 | I | 76.7 | Confident | 79.8 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.395 | 32% | 0.315 | S | S | . | . | trans | -70.5 | 105.3 | -179.8 | -60.1 | 173.2 | 0 | 0 | 0 | 108.4 | L278 S279 L292 | L278-I281 HydrophobicContact CD2-CD1 4.11Å; L278-I281 WeakPolarHBondContact O-CB 3.35Å; L278-I281 WeakPolarHBondContact O-CG1 3.08Å; L278-I281 PolarHBondContact O-N 2.9Å; L278-I281 VanDerWaalsContact O-N 3.09Å; S279-I281 VanDerWaalsContact C-N 3.32Å; I281-L292 HydrophobicContact CG2-CD1 3.58Å; I281-L292 HydrophobicContact CG2-CG 4.36Å | ||
| 282 | Q | 71.3 | Confident | 78.2 | Confident | 27 Ų | 27 | 64 Ų | 64 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | trans | -90.1 | 131.1 | 176.2 | -71.4 | -168 | -32.3 | 0 | 0 | 111.3 | T280 K293 S296 Y297 E498 | T280-Q282 PolarHBondContact O-N 3.03Å; Q282-K293 HydrophobicContact CB-CB 4.43Å; Q282-K293 HydrophobicContact CB-CD 4.36Å; Q282-K293 WeakPolarHBondContact O-CB 3.3Å; Q282-K293 PolarHBondContact O-N 3.44Å; Q282-K293 VanDerWaalsContact O-N 3.12Å; Q282-K293 VanDerWaalsContact OE1-NZ 3.13Å; Q282-S296 PolarHBondContact N-OG 3.04Å; Q282-S296 VanDerWaalsContact N-OG 3.1Å; Q282-Y297 HydrophobicContact CG-CD2 4.46Å; Q282-E498 PolarHBondContact NE2-OE1 3.39Å; Q282-E498 VanDerWaalsContact NE2-OE1 3.12Å; Q282-E498 PolarHBondContact OE1-OE1 3.14Å | ||
| 283 | L | 75 | Confident | 76.7 | Confident | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.293 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.3 | 168.3 | -60.5 | 176.2 | 0 | 0 | 0 | 108.7 | V290 F499 | L283-V290 HydrophobicContact CB-CG1 3.94Å; L283-V290 HydrophobicContact CD1-CG1 4.38Å; L283-V290 HydrophobicContact CD2-CG1 4.36Å; L283-V290 HydrophobicContact CG-CG1 4.45Å; L283-F499 HydrophobicContact CB-CB 3.71Å; L283-F499 HydrophobicContact CB-CD1 4.44Å; L283-F499 HydrophobicContact CB-CG 4.2Å; L283-F499 HydrophobicContact CD1-CD1 4.41Å; L283-F499 WeakPolarHBondContact O-CB 3.37Å; L283-F499 PolarHBondContact O-N 3.12Å |
| 284 | T | 70.7 | Confident | 74.7 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.7 | 172.5 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | V290 F291 K293 | T284-V290 CarbonylContact O-C 3.6Å; T284-V290 WeakPolarHBondContact O-CA 3.21Å; T284-F291 PolarHBondContact N-O 3.47Å; T284-F291 PolarHBondContact O-N 3.23Å; T284-F291 PolarHBondContact OG1-O 3.3Å; T284-K293 HydrophobicContact CG2-CB 4.03Å; T284-K293 HydrophobicContact CG2-CD 3.95Å; T284-K293 HydrophobicContact CG2-CG 4.13Å |
| 285 | K | 66.4 | Low | 72.7 | Confident | 62 Ų | 62 | 65.7 Ų | 65.7 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.5 | 176.7 | -174.4 | 177.9 | 177.5 | -177.8 | 0 | 108.5 | G287 V497 | K285-G287 WeakPolarHBondContact CE-O 3.16Å; K285-G287 WeakPolarHBondContact CG-O 3.41Å; K285-V497 PolarHBondContact N-O 2.92Å; K285-V497 PolarHBondContact O-N 3.42Å |
| 286 | R | 65.8 | Low | 71 | Confident | 120 Ų | 120 | 65.5 Ų | 65.5 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 103.6 | 173.2 | -171 | 177.6 | 176.9 | 178.7 | -3.9 | 108.5 | N288 R289 F291 V494 E496 | R286-N288 PolarHBondContact O-N 3.37Å; R286-R289 PolarHBondContact N-O 3.48Å; R286-R289 PolarHBondContact O-N 3.26Å; R286-F291 HydrophobicContact CB-CD2 3.96Å; R286-F291 HydrophobicContact CB-CE2 3.86Å; R286-V494 HydrophobicContact CG-CB 4.13Å; R286-V494 HydrophobicContact CG-CG1 3.62Å; R286-E496 IonicContact NH1-OE1 2.74Å |
| 287 | G | 68.2 | Low | 69.8 | Low | 49 Ų | 49 | 65.8 Ų | 65.8 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | -127.6 | -168 | 0 | 0 | 0 | 0 | 0 | 111.6 | K285 | K285-G287 WeakPolarHBondContact CE-O 3.16Å; K285-G287 WeakPolarHBondContact CG-O 3.41Å |
| 288 | N | 68.6 | Low | 69 | Low | 161 Ų | 161 | 65 Ų | 65 | 86% | 0.861 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2.1 | 176 | -89.6 | 3.9 | 0 | 0 | 0 | 114.4 | R286 | R286-N288 PolarHBondContact O-N 3.37Š|
| 289 | R | 72.5 | Confident | 68.7 | Low | 185 Ų | 185 | 62.4 Ų | 62.4 | 70% | 0.698 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.8 | -178.5 | -61.7 | -173.1 | -157 | 172.9 | 6.8 | 110.9 | R286 F291 | R286-R289 PolarHBondContact N-O 3.48Å; R286-R289 PolarHBondContact O-N 3.26Å; R289-F291 HydrophobicContact CB-CD2 4.29Å; R289-F291 HydrophobicContact CB-CE2 3.47Å; R289-F291 VanDerWaalsContact CB-CE2 3.47Å; R289-F291 HydrophobicContact CB-CZ 3.67Å; R289-F291 HydrophobicContact CG-CZ 4.46Å |
| 290 | V | 71.2 | Confident | 68.6 | Low | 73 Ų | 73 | 66.7 Ų | 66.7 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.5 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | L283 T284 F499 | L283-V290 HydrophobicContact CB-CG1 3.94Å; L283-V290 HydrophobicContact CD1-CG1 4.38Å; L283-V290 HydrophobicContact CD2-CG1 4.36Å; L283-V290 HydrophobicContact CG-CG1 4.45Å; T284-V290 CarbonylContact O-C 3.6Å; T284-V290 WeakPolarHBondContact O-CA 3.21Å; V290-F499 HydrophobicContact CG1-CD2 4.26Å; V290-F499 HydrophobicContact CG2-CD2 3.79Å; V290-F499 HydrophobicContact CG2-CE2 3.92Å |
| 291 | F | 70 | Confident | 69 | Low | 92 Ų | 92 | 66.5 Ų | 66.5 | 40% | 0.404 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.9 | 179 | -62.9 | -83.2 | 0 | 0 | 0 | 109.6 | T284 R286 R289 | T284-F291 PolarHBondContact N-O 3.47Å; T284-F291 PolarHBondContact O-N 3.23Å; T284-F291 PolarHBondContact OG1-O 3.3Å; R286-F291 HydrophobicContact CB-CD2 3.96Å; R286-F291 HydrophobicContact CB-CE2 3.86Å; R289-F291 HydrophobicContact CB-CD2 4.29Å; R289-F291 HydrophobicContact CB-CE2 3.47Å; R289-F291 VanDerWaalsContact CB-CE2 3.47Å; R289-F291 HydrophobicContact CB-CZ 3.67Å; R289-F291 HydrophobicContact CG-CZ 4.46Å |
| 292 | L | 62.5 | Low | 69.5 | Low | 117 Ų | 117 | 62.9 Ų | 62.9 | 61% | 0.613 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.1 | 165.9 | -166.7 | 114.8 | 0 | 0 | 0 | 107.8 | I281 A294 | I281-L292 HydrophobicContact CG2-CD1 3.58Å; I281-L292 HydrophobicContact CG2-CG 4.36Å; L292-A294 PolarHBondContact O-N 3.15Å; L292-A294 VanDerWaalsContact O-N 3.13Å |
| 293 | K | 61.9 | Low | 70.5 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | trans | -68.8 | 112.4 | 177.9 | -167.8 | 177.3 | 173.2 | -173.4 | 0 | 108.8 | Q282 T284 A295 S296 | Q282-K293 HydrophobicContact CB-CB 4.43Å; Q282-K293 HydrophobicContact CB-CD 4.36Å; Q282-K293 WeakPolarHBondContact O-CB 3.3Å; Q282-K293 PolarHBondContact O-N 3.44Å; Q282-K293 VanDerWaalsContact O-N 3.12Å; Q282-K293 VanDerWaalsContact OE1-NZ 3.13Å; T284-K293 HydrophobicContact CG2-CB 4.03Å; T284-K293 HydrophobicContact CG2-CD 3.95Å; T284-K293 HydrophobicContact CG2-CG 4.13Å; K293-A295 PolarHBondContact O-N 3.07Å; K293-S296 PolarHBondContact O-N 3.15Å | ||
| 294 | A | 49.9 | Very low | 71.2 | Confident | 110 Ų | 110 | 61.7 Ų | 61.7 | 91% | 0.909 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L292 | L292-A294 PolarHBondContact O-N 3.15Å; L292-A294 VanDerWaalsContact O-N 3.13Å |
| 295 | A | 51.9 | Low | 72.3 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 51 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K293 | K293-A295 PolarHBondContact O-N 3.07Š|
| 296 | S | 57.6 | Low | 73.6 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 149.5 | 169.7 | -147.7 | 0 | 0 | 0 | 0 | 109.4 | T280 Q282 K293 S298 | T280-S296 PolarHBondContact O-OG 3.19Å; Q282-S296 PolarHBondContact N-OG 3.04Å; Q282-S296 VanDerWaalsContact N-OG 3.1Å; K293-S296 PolarHBondContact O-N 3.15Å; S296-S298 PolarHBondContact O-N 3.31Å |
| 297 | Y | 65.5 | Low | 74.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -51 | 139.4 | 168.9 | -70.6 | -74.7 | 0 | 0 | 0 | 109.3 | Q282 I350 L353 A354 R365 E428 | Q282-Y297 HydrophobicContact CG-CD2 4.46Å; Y297-I350 HydrophobicContact CD2-CG2 3.61Å; Y297-I350 HydrophobicContact CE2-CG2 3.92Å; Y297-I350 HydrophobicContact CG-CG2 3.95Å; Y297-L353 HydrophobicContact CE1-CD2 3.69Å; Y297-L353 HydrophobicContact CE1-CG 4.11Å; Y297-L353 PolarHBondContact OH-O 3.31Å; Y297-A354 HydrophobicContact CE2-CB 3.87Å; Y297-A354 WeakPolarHBondContact OH-CA 3.41Å; Y297-A354 WeakPolarHBondContact OH-CB 3.47Å; Y297-A354 PolarHBondContact OH-N 3.3Å; Y297-A354 VanDerWaalsContact OH-N 3.16Å; Y297-R365 PolarHBondContact OH-NH2 2.93Å; Y297-E428 WeakPolarHBondContact CA-OE1 3.46Å; Y297-E428 HydrophobicContact CD1-CG 3.97Å |
| 298 | S | 71.1 | Confident | 76.1 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 142.2 | 174.6 | -145.3 | 0 | 0 | 0 | 0 | 108.5 | S296 L300 V301 E428 R431 | S296-S298 PolarHBondContact O-N 3.31Å; S298-L300 PolarHBondContact O-N 3.2Å; S298-L300 WeakPolarHBondContact OG-CD1 3.37Å; S298-L300 VanDerWaalsContact OG-CG 3.24Å; S298-L300 WeakPolarHBondContact OG-CG 3.28Å; S298-V301 PolarHBondContact O-N 3.42Å; S298-E428 VanDerWaalsContact CB-OE2 3.3Å; S298-E428 WeakPolarHBondContact CB-OE2 3.49Å; S298-E428 PolarHBondContact N-OE1 3.34Å; S298-R431 PolarHBondContact OG-NH1 3.07Å |
| 299 | P | 80.5 | Confident | 77.3 | Confident | 51 Ų | 51 | 48 Ų | 48 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59 | -15 | 163.3 | 27.2 | -35.7 | 0 | 0 | 0 | 111.7 | A277 V301 A302 I303 | A277-P299 HydrophobicContact CB-CB 3.89Å; P299-V301 VanDerWaalsContact C-N 3.34Å; P299-V301 PolarHBondContact O-N 2.51Å; P299-A302 PolarHBondContact O-N 2.58Å; P299-I303 HydrophobicContact CB-CD1 3.88Å; P299-I303 HydrophobicContact CB-CG1 4.44Å; P299-I303 HydrophobicContact CG-CD1 4.5Å; P299-I303 VanDerWaalsContact O-CB 3.26Å; P299-I303 WeakPolarHBondContact O-CB 3.45Å; P299-I303 WeakPolarHBondContact O-CG1 3.42Å; P299-I303 PolarHBondContact O-N 3.36Å |
| 300 | L | 83.3 | Confident | 78.4 | Confident | 109 Ų | 109 | 40.5 Ų | 40.5 | 57% | 0.571 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -57.3 | -38.1 | 180 | -64.5 | 172.3 | 0 | 0 | 0 | 113.8 | S298 G304 | S298-L300 PolarHBondContact O-N 3.2Å; S298-L300 WeakPolarHBondContact OG-CD1 3.37Å; S298-L300 VanDerWaalsContact OG-CG 3.24Å; S298-L300 WeakPolarHBondContact OG-CG 3.28Å; L300-G304 WeakPolarHBondContact O-CA 3.39Å; L300-G304 PolarHBondContact O-N 3.19Å |
| 301 | V | 88.5 | Confident | 79.5 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.6 | -42.6 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | S298 P299 G304 G305 T346 I350 L421 L425 E428 | S298-V301 PolarHBondContact O-N 3.42Å; P299-V301 VanDerWaalsContact C-N 3.34Å; P299-V301 PolarHBondContact O-N 2.51Å; V301-G304 CarbonylContact O-C 3.52Å; V301-G304 PolarHBondContact O-N 3.05Å; V301-G305 PolarHBondContact O-N 2.94Å; V301-T346 HydrophobicContact CG1-CG2 4.47Å; V301-I350 HydrophobicContact CG1-CD1 4.26Å; V301-I350 HydrophobicContact CG1-CG1 4.18Å; V301-L421 HydrophobicContact CG1-CD1 3.85Å; V301-L425 HydrophobicContact CG1-CD1 4.3Å; V301-E428 HydrophobicContact CG2-CB 3.35Å; V301-E428 HydrophobicContact CG2-CG 3.63Å |
| 302 | A | 88 | Confident | 80.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.3 | -45.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S276 T280 P299 G304 G305 V306 I350 | S276-A302 WeakPolarHBondContact O-CB 3.35Å; T280-A302 HydrophobicContact CG2-CB 3.32Å; P299-A302 PolarHBondContact O-N 2.58Å; A302-G304 VanDerWaalsContact C-N 3.32Å; A302-G304 PolarHBondContact O-N 3.38Å; A302-G305 PolarHBondContact O-N 3.48Å; A302-G305 VanDerWaalsContact O-N 3.13Å; A302-V306 WeakPolarHBondContact O-CG2 3.4Å; A302-V306 PolarHBondContact O-N 3.09Å; A302-I350 HydrophobicContact CB-CD1 4.36Å |
| 303 | I | 90.6 | Very high | 82.4 | Confident | 54 Ų | 54 | 28.7 Ų | 28.7 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 172.5 | -70.3 | 167.4 | 0 | 0 | 0 | 110.2 | L273 P299 G305 V306 L307 | L273-I303 HydrophobicContact CD2-CB 4.32Å; L273-I303 HydrophobicContact CD2-CG1 4.33Å; L273-I303 HydrophobicContact CD2-CG2 3.93Å; P299-I303 HydrophobicContact CB-CD1 3.88Å; P299-I303 HydrophobicContact CB-CG1 4.44Å; P299-I303 HydrophobicContact CG-CD1 4.5Å; P299-I303 VanDerWaalsContact O-CB 3.26Å; P299-I303 WeakPolarHBondContact O-CB 3.45Å; P299-I303 WeakPolarHBondContact O-CG1 3.42Å; P299-I303 PolarHBondContact O-N 3.36Å; I303-G305 VanDerWaalsContact C-N 3.31Å; I303-G305 PolarHBondContact O-N 2.98Å; I303-V306 PolarHBondContact O-N 3.49Å; I303-L307 HydrophobicContact CG2-CD1 3.94Å; I303-L307 HydrophobicContact CG2-CG 4.38Å; I303-L307 WeakPolarHBondContact O-CG 3.3Å; I303-L307 PolarHBondContact O-N 3.15Å |
| 304 | G | 91.4 | Very high | 84 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L300 V301 A302 V306 L307 G308 F420 | L300-G304 WeakPolarHBondContact O-CA 3.39Å; L300-G304 PolarHBondContact O-N 3.19Å; V301-G304 CarbonylContact O-C 3.52Å; V301-G304 PolarHBondContact O-N 3.05Å; A302-G304 VanDerWaalsContact C-N 3.32Å; A302-G304 PolarHBondContact O-N 3.38Å; G304-V306 PolarHBondContact O-N 2.8Å; G304-L307 PolarHBondContact O-N 2.89Å; G304-G308 PolarHBondContact O-N 2.9Å; G304-F420 VanDerWaalsContact O-CE1 3.27Å; G304-F420 WeakPolarHBondContact O-CE1 3.32Å |
| 305 | G | 92 | Very high | 86.3 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V301 A302 I303 G308 A309 T346 | V301-G305 PolarHBondContact O-N 2.94Å; A302-G305 PolarHBondContact O-N 3.48Å; A302-G305 VanDerWaalsContact O-N 3.13Å; I303-G305 VanDerWaalsContact C-N 3.31Å; I303-G305 PolarHBondContact O-N 2.98Å; G305-G308 PolarHBondContact O-N 3.12Å; G305-A309 WeakPolarHBondContact O-CB 3.44Å; G305-A309 PolarHBondContact O-N 3.48Å; G305-T346 WeakPolarHBondContact CA-OG1 2.87Å |
| 306 | V | 93.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | L272 L273 S276 A302 I303 G304 G308 A309 C310 V339 I343 | L272-V306 HydrophobicContact CB-CG1 4.49Å; L273-V306 HydrophobicContact CD2-CB 3.73Å; L273-V306 HydrophobicContact CD2-CG1 3.84Å; L273-V306 HydrophobicContact CD2-CG2 4.13Å; L273-V306 HydrophobicContact CG-CB 4.38Å; L273-V306 HydrophobicContact CG-CG1 3.97Å; S276-V306 WeakPolarHBondContact OG-CG2 3.38Å; A302-V306 WeakPolarHBondContact O-CG2 3.4Å; A302-V306 PolarHBondContact O-N 3.09Å; I303-V306 PolarHBondContact O-N 3.49Å; G304-V306 PolarHBondContact O-N 2.8Å; V306-G308 VanDerWaalsContact C-N 3.32Å; V306-G308 PolarHBondContact O-N 3.41Å; V306-A309 PolarHBondContact O-N 3.2Å; V306-C310 PolarHBondContact O-N 3.22Å; V306-C310 PolarHBondContact O-SG 3.24Å; V306-V339 HydrophobicContact CG1-CG1 4.4Å; V306-I343 HydrophobicContact CB-CD1 4.38Å; V306-I343 HydrophobicContact CG1-CD1 4.23Å; V306-I343 HydrophobicContact CG2-CD1 3.73Å; V306-I343 HydrophobicContact CG2-CG1 3.94Å |
| 307 | L | 93.3 | Very high | 90.2 | Very high | 93 Ų | 93 | 21.6 Ų | 21.6 | 49% | 0.487 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.1 | -39.7 | -180 | -69.3 | 174.8 | 0 | 0 | 0 | 112.1 | I303 G304 C310 L311 | I303-L307 HydrophobicContact CG2-CD1 3.94Å; I303-L307 HydrophobicContact CG2-CG 4.38Å; I303-L307 WeakPolarHBondContact O-CG 3.3Å; I303-L307 PolarHBondContact O-N 3.15Å; G304-L307 PolarHBondContact O-N 2.89Å; L307-C310 PolarHBondContact O-N 3.33Å; L307-L311 WeakPolarHBondContact O-CB 3.28Å; L307-L311 PolarHBondContact O-N 3.48Å |
| 308 | G | 94.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G304 G305 V306 L311 G312 | G304-G308 PolarHBondContact O-N 2.9Å; G305-G308 PolarHBondContact O-N 3.12Å; V306-G308 VanDerWaalsContact C-N 3.32Å; V306-G308 PolarHBondContact O-N 3.41Å; G308-L311 PolarHBondContact O-N 2.83Å; G308-G312 PolarHBondContact O-N 3.38Å |
| 309 | A | 94.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 24 Ų | 24 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G305 V306 L311 G312 V313 V339 R342 | G305-A309 WeakPolarHBondContact O-CB 3.44Å; G305-A309 PolarHBondContact O-N 3.48Å; V306-A309 PolarHBondContact O-N 3.2Å; A309-L311 PolarHBondContact O-N 2.94Å; A309-G312 PolarHBondContact O-N 3Å; A309-V313 WeakPolarHBondContact O-CG2 3.41Å; A309-V313 PolarHBondContact O-N 2.85Å; A309-V339 HydrophobicContact CB-CG1 4.32Å; A309-R342 HydrophobicContact CB-CB 4.44Å |
| 310 | C | 95 | Very high | 93.5 | Very high | 27 Ų | 27 | 22.1 Ų | 22.1 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 175.3 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | V306 L307 G312 V313 A314 | V306-C310 PolarHBondContact O-N 3.22Å; V306-C310 PolarHBondContact O-SG 3.24Å; L307-C310 PolarHBondContact O-N 3.33Å; C310-G312 VanDerWaalsContact C-N 3.34Å; C310-V313 PolarHBondContact O-N 3.02Å; C310-A314 WeakPolarHBondContact O-CB 3.2Å; C310-A314 PolarHBondContact O-N 3.14Å |
| 311 | L | 95.1 | Very high | 94 | Very high | 29 Ų | 29 | 17.4 Ų | 17.4 | 15% | 0.152 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 178.3 | -173.4 | 61.2 | 0 | 0 | 0 | 111.6 | L31 L307 G308 A309 A314 S315 Y416 | L31-L311 HydrophobicContact CD2-CD2 3.88Å; L307-L311 WeakPolarHBondContact O-CB 3.28Å; L307-L311 PolarHBondContact O-N 3.48Å; G308-L311 PolarHBondContact O-N 2.83Å; A309-L311 PolarHBondContact O-N 2.94Å; L311-A314 PolarHBondContact O-N 3.27Å; L311-S315 VanDerWaalsContact O-CB 3.24Å; L311-S315 WeakPolarHBondContact O-CB 3.34Å; L311-S315 PolarHBondContact O-N 3.35Å; L311-S315 PolarHBondContact O-OG 2.88Å; L311-Y416 HydrophobicContact CB-CE1 4.32Å; L311-Y416 HydrophobicContact CD2-CD1 4.37Å; L311-Y416 HydrophobicContact CD2-CE1 3.58Å; L311-Y416 HydrophobicContact CG-CE1 3.77Å |
| 312 | G | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G308 A309 C310 S315 S316 V412 | G308-G312 PolarHBondContact O-N 3.38Å; A309-G312 PolarHBondContact O-N 3Å; C310-G312 VanDerWaalsContact C-N 3.34Å; G312-S315 PolarHBondContact O-N 3.27Å; G312-S316 WeakPolarHBondContact O-CB 3.4Å; G312-S316 PolarHBondContact O-N 2.79Å; G312-V412 WeakPolarHBondContact O-CG1 3.41Å |
| 313 | V | 95.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 175 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | A309 C310 S315 S316 M317 M334 P335 I338 V339 T413 | A309-V313 WeakPolarHBondContact O-CG2 3.41Å; A309-V313 PolarHBondContact O-N 2.85Å; C310-V313 PolarHBondContact O-N 3.02Å; V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 3.03Å; V313-S316 PolarHBondContact O-N 3.12Å; V313-S316 PolarHBondContact O-OG 3.05Å; V313-M317 HydrophobicContact CG1-SD 4.15Å; V313-M317 WeakPolarHBondContact O-CG 3.28Å; V313-M317 PolarHBondContact O-N 2.68Å; V313-M334 HydrophobicContact CG1-CE 3.6Å; V313-P335 HydrophobicContact CG1-CB 3.95Å; V313-P335 HydrophobicContact CG1-CG 4.07Å; V313-I338 HydrophobicContact CG2-CB 4.05Å; V313-I338 HydrophobicContact CG2-CG2 3.7Å; V313-V339 HydrophobicContact CB-CG2 4.39Å; V313-V339 HydrophobicContact CG2-CG2 3.92Å; V313-T413 HydrophobicContact CG2-CG2 3.9Å |
| 314 | A | 95.7 | Very high | 94.6 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 20% | 0.198 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S38 L41 C310 L311 G318 | S38-A314 WeakPolarHBondContact OG-CB 3.5Å; L41-A314 HydrophobicContact CD1-CB 4.24Å; C310-A314 WeakPolarHBondContact O-CB 3.2Å; C310-A314 PolarHBondContact O-N 3.14Å; L311-A314 PolarHBondContact O-N 3.27Å; A314-G318 PolarHBondContact O-N 3.22Å |
| 315 | S | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | G34 L311 G312 V313 L319 Y416 | G34-S315 WeakPolarHBondContact CA-OG 3.41Å; G34-S315 PolarHBondContact O-OG 2.95Å; L311-S315 VanDerWaalsContact O-CB 3.24Å; L311-S315 WeakPolarHBondContact O-CB 3.34Å; L311-S315 PolarHBondContact O-N 3.35Å; L311-S315 PolarHBondContact O-OG 2.88Å; G312-S315 PolarHBondContact O-N 3.27Å; V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 3.03Å; S315-L319 VanDerWaalsContact O-CB 3.23Å; S315-L319 WeakPolarHBondContact O-CB 3.32Å; S315-L319 PolarHBondContact O-N 3.47Å; S315-Y416 PolarHBondContact OG-OH 3.43Å |
| 316 | S | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | -179.7 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | G312 V313 G318 L319 T320 A409 | G312-S316 WeakPolarHBondContact O-CB 3.4Å; G312-S316 PolarHBondContact O-N 2.79Å; V313-S316 PolarHBondContact O-N 3.12Å; V313-S316 PolarHBondContact O-OG 3.05Å; S316-G318 VanDerWaalsContact C-N 3.34Å; S316-G318 PolarHBondContact O-N 3.13Å; S316-L319 PolarHBondContact O-N 3.42Å; S316-T320 WeakPolarHBondContact O-CB 3.31Å; S316-T320 PolarHBondContact O-N 3.39Å; S316-T320 PolarHBondContact O-OG1 2.74Å; S316-T320 VanDerWaalsContact O-OG1 3.08Å; S316-A409 VanDerWaalsContact CB-CA 3.46Å; S316-A409 WeakPolarHBondContact OG-CA 3.28Å; S316-A409 VanDerWaalsContact OG-CB 3.29Å; S316-A409 WeakPolarHBondContact OG-CB 3.48Å |
| 317 | M | 95.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.2 | -70.3 | 179 | 69.4 | 0 | 0 | 111 | L41 V313 T321 Y327 M334 P335 Y405 | L41-M317 HydrophobicContact CD2-CB 3.52Å; L41-M317 HydrophobicContact CD2-CE 3.88Å; L41-M317 HydrophobicContact CD2-CG 4.49Å; L41-M317 HydrophobicContact CD2-SD 4.29Å; V313-M317 HydrophobicContact CG1-SD 4.15Å; V313-M317 WeakPolarHBondContact O-CG 3.28Å; V313-M317 PolarHBondContact O-N 2.68Å; M317-T321 WeakPolarHBondContact O-CB 3.39Å; M317-T321 PolarHBondContact O-N 2.81Å; M317-T321 PolarHBondContact O-OG1 3.45Å; M317-Y327 HydrophobicContact CE-CE2 3.99Å; M317-M334 HydrophobicContact CG-CE 3.81Å; M317-M334 HydrophobicContact SD-CE 3.85Å; M317-P335 HydrophobicContact SD-CG 3.94Å; M317-Y405 HydrophobicContact CG-CD1 4.23Å |
| 318 | G | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L37 A314 S316 T321 Y322 | L37-G318 VanDerWaalsContact O-CA 3.31Å; L37-G318 WeakPolarHBondContact O-CA 3.23Å; A314-G318 PolarHBondContact O-N 3.22Å; S316-G318 VanDerWaalsContact C-N 3.34Å; S316-G318 PolarHBondContact O-N 3.13Å; G318-T321 WeakPolarHBondContact O-CB 3.1Å; G318-T321 PolarHBondContact O-N 3.35Å; G318-Y322 VanDerWaalsContact O-CD2 3.24Å; G318-Y322 WeakPolarHBondContact O-CD2 3.44Å; G318-Y322 PolarHBondContact O-N 3.26Å |
| 319 | L | 95.5 | Very high | 94 | Very high | 67 Ų | 67 | 30.1 Ų | 30.1 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 175.6 | 177.8 | 63.9 | 0 | 0 | 0 | 112.1 | L37 S315 S316 T321 Y322 V323 V412 | L37-L319 HydrophobicContact CD2-CD1 4.25Å; S315-L319 VanDerWaalsContact O-CB 3.23Å; S315-L319 WeakPolarHBondContact O-CB 3.32Å; S315-L319 PolarHBondContact O-N 3.47Å; S316-L319 PolarHBondContact O-N 3.42Å; L319-T321 PolarHBondContact O-N 2.79Å; L319-Y322 PolarHBondContact O-N 3.34Å; L319-Y322 VanDerWaalsContact O-N 3.12Å; L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 3.42Å; L319-V412 HydrophobicContact CD2-CG2 4.33Å |
| 320 | T | 95.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.1 | -34.5 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | S316 V323 F325 V404 Y405 S408 | S316-T320 WeakPolarHBondContact O-CB 3.31Å; S316-T320 PolarHBondContact O-N 3.39Å; S316-T320 PolarHBondContact O-OG1 2.74Å; S316-T320 VanDerWaalsContact O-OG1 3.08Å; T320-V323 PolarHBondContact O-N 2.84Å; T320-F325 HydrophobicContact CG2-CB 3.71Å; T320-F325 HydrophobicContact CG2-CD1 4.13Å; T320-F325 HydrophobicContact CG2-CG 4.17Å; T320-F325 WeakPolarHBondContact O-CB 3.16Å; T320-F325 PolarHBondContact O-N 2.98Å; T320-V404 HydrophobicContact CG2-CG1 4.41Å; T320-Y405 HydrophobicContact CG2-CD1 3.98Å; T320-Y405 HydrophobicContact CG2-CD2 4.05Å; T320-Y405 HydrophobicContact CG2-CE1 3.68Å; T320-Y405 HydrophobicContact CG2-CE2 3.75Å; T320-Y405 HydrophobicContact CG2-CG 4.16Å; T320-S408 PolarHBondContact OG1-OG 3.19Å |
| 321 | T | 94.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69 | -42.1 | 173.8 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | G40 F43 L44 M317 G318 L319 V323 G324 | G40-T321 VanDerWaalsContact O-CG2 3.26Å; G40-T321 WeakPolarHBondContact O-CG2 3.37Å; F43-T321 HydrophobicContact CB-CG2 4.22Å; F43-T321 WeakPolarHBondContact O-CG2 3.35Å; L44-T321 HydrophobicContact CD2-CG2 4.3Å; L44-T321 WeakPolarHBondContact CD2-OG1 3.42Å; M317-T321 WeakPolarHBondContact O-CB 3.39Å; M317-T321 PolarHBondContact O-N 2.81Å; M317-T321 PolarHBondContact O-OG1 3.45Å; G318-T321 WeakPolarHBondContact O-CB 3.1Å; G318-T321 PolarHBondContact O-N 3.35Å; L319-T321 PolarHBondContact O-N 2.79Å; T321-V323 VanDerWaalsContact C-N 3.25Å; T321-V323 PolarHBondContact O-N 2.65Å; T321-G324 WeakPolarHBondContact O-CA 3.47Å; T321-G324 PolarHBondContact O-N 2.77Å |
| 322 | Y | 94.3 | Very high | 93.1 | Very high | 109 Ų | 109 | 28.3 Ų | 28.3 | 43% | 0.427 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.4 | -30 | 175.6 | -79.9 | -49.2 | 0 | 0 | 0 | 113.6 | T39 G40 F43 G318 L319 G324 | T39-Y322 PolarHBondContact OG1-OH 2.81Å; G40-Y322 VanDerWaalsContact CA-CE2 3.43Å; G40-Y322 VanDerWaalsContact CA-CZ 3.44Å; G40-Y322 PolarHBondContact N-OH 2.69Å; F43-Y322 HydrophobicContact CD2-CE1 4.12Å; F43-Y322 HydrophobicContact CE2-CE1 4.47Å; G318-Y322 VanDerWaalsContact O-CD2 3.24Å; G318-Y322 WeakPolarHBondContact O-CD2 3.44Å; G318-Y322 PolarHBondContact O-N 3.26Å; L319-Y322 PolarHBondContact O-N 3.34Å; L319-Y322 VanDerWaalsContact O-N 3.12Å; Y322-G324 PolarHBondContact O-N 3.2Å |
| 323 | V | 93.6 | Very high | 92.8 | Very high | 115 Ų | 115 | 28.4 Ų | 28.4 | 70% | 0.697 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.8 | 171.8 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | L319 T320 T321 | L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 3.42Å; T320-V323 PolarHBondContact O-N 2.84Å; T321-V323 VanDerWaalsContact C-N 3.25Å; T321-V323 PolarHBondContact O-N 2.65Å |
| 324 | G | 92.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 52% | 0.515 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 14.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | T321 Y322 | T321-G324 WeakPolarHBondContact O-CA 3.47Å; T321-G324 PolarHBondContact O-N 2.77Å; Y322-G324 PolarHBondContact O-N 3.2Å |
| 325 | F | 93.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 27.5 Ų | 27.5 | 28% | 0.281 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -75.8 | 135.6 | -177.2 | -161.3 | -91 | 0 | 0 | 0 | 111.2 | T320 I401 V404 Y405 | T320-F325 HydrophobicContact CG2-CB 3.71Å; T320-F325 HydrophobicContact CG2-CD1 4.13Å; T320-F325 HydrophobicContact CG2-CG 4.17Å; T320-F325 WeakPolarHBondContact O-CB 3.16Å; T320-F325 PolarHBondContact O-N 2.98Å; F325-I401 HydrophobicContact CE1-CB 4.22Å; F325-I401 HydrophobicContact CE1-CG1 3.93Å; F325-I401 HydrophobicContact CE1-CG2 4.22Å; F325-I401 HydrophobicContact CZ-CG1 4.39Å; F325-V404 HydrophobicContact CD1-CB 4.49Å; F325-V404 HydrophobicContact CD1-CG1 4.02Å; F325-V404 HydrophobicContact CD2-CG1 4.31Å; F325-V404 HydrophobicContact CE1-CB 3.86Å; F325-V404 HydrophobicContact CE1-CG1 3.84Å; F325-V404 HydrophobicContact CE1-CG2 4.23Å; F325-V404 HydrophobicContact CE2-CG1 4.14Å; F325-V404 HydrophobicContact CE2-CG2 4.24Å; F325-V404 HydrophobicContact CG-CG1 4.26Å; F325-V404 HydrophobicContact CZ-CB 3.87Å; F325-V404 HydrophobicContact CZ-CG1 3.9Å; F325-V404 HydrophobicContact CZ-CG2 3.72Å; F325-Y405 HydrophobicContact CD1-CD2 4.29Å; F325-Y405 AromaticContact CD1-CE2 3.79Å; F325-Y405 HydrophobicContact CD1-CE2 3.79Å; F325-Y405 HydrophobicContact CE1-CE2 4.37Å; F325-Y405 PolarHBondContact O-OH 3.25Å |
| 326 | P | 93 | Very high | 92.2 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 20% | 0.195 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 138.3 | -174.4 | 26.6 | -35.4 | 0 | 0 | 0 | 112.2 | I47 I401 Y405 | I47-P326 HydrophobicContact CD1-CB 3.39Å; I47-P326 HydrophobicContact CD1-CG 4.11Å; I47-P326 HydrophobicContact CG1-CB 3.88Å; P326-I401 HydrophobicContact CB-CD1 4.46Å; P326-I401 HydrophobicContact CG-CD1 4.12Å; P326-I401 HydrophobicContact CG-CG1 4.31Å; P326-I401 VanDerWaalsContact O-CG2 3.32Å; P326-I401 WeakPolarHBondContact O-CG2 3.36Å; P326-Y405 WeakPolarHBondContact O-CE2 3.3Å |
| 327 | Y | 91.7 | Very high | 91.9 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 9% | 0.09 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -97.1 | 135.1 | 174.4 | 177 | -95.1 | 0 | 0 | 0 | 110.2 | L44 N45 K46 I47 M317 K329 V331 Y405 | L44-Y327 HydrophobicContact CD2-CD2 3.77Å; L44-Y327 HydrophobicContact CD2-CE2 4.35Å; L44-Y327 HydrophobicContact CD2-CG 3.88Å; N45-Y327 WeakPolarHBondContact O-CB 3.47Å; N45-Y327 PolarHBondContact O-N 3.43Å; K46-Y327 CarbonylContact C-O 3.6Å; K46-Y327 WeakPolarHBondContact CA-O 3.5Å; K46-Y327 HydrophobicContact CG-CD1 4.13Å; I47-Y327 PolarHBondContact N-O 2.9Å; M317-Y327 HydrophobicContact CE-CE2 3.99Å; Y327-K329 HydrophobicContact CE1-CG 4.47Å; Y327-V331 HydrophobicContact CD2-CB 4.23Å; Y327-V331 HydrophobicContact CD2-CG1 4.14Å; Y327-V331 HydrophobicContact CE2-CB 3.8Å; Y327-V331 HydrophobicContact CE2-CG1 3.7Å; Y327-Y405 HydrophobicContact CD2-CE1 4.24Å |
| 328 | N | 88.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -118.1 | 162.4 | 168.6 | 76.6 | 24 | 0 | 0 | 0 | 110 | L53 V330 V331 A398 I401 | L53-N328 HydrophobicContact CD1-CB 4.26Å; L53-N328 HydrophobicContact CD2-CB 3.88Å; N328-V330 VanDerWaalsContact C-N 3.31Å; N328-V330 PolarHBondContact O-N 3.24Å; N328-V330 PolarHBondContact OD1-N 2.99Å; N328-V330 VanDerWaalsContact OD1-N 3.14Å; N328-V331 WeakPolarHBondContact O-CB 3.43Å; N328-V331 PolarHBondContact O-N 3.45Å; N328-V331 VanDerWaalsContact OD1-CG2 3.32Å; N328-V331 WeakPolarHBondContact OD1-CG2 3.23Å; N328-V331 PolarHBondContact OD1-N 3.21Å; N328-A398 PolarHBondContact ND2-O 3.29Å; N328-I401 HydrophobicContact CB-CD1 4.43Å; N328-I401 HydrophobicContact CB-CG2 4.3Å | ||
| 329 | K | 85.2 | Confident | 91.6 | Very high | 42 Ų | 42 | 26.9 Ų | 26.9 | 18% | 0.183 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -75.4 | -16.3 | -176.5 | -77.5 | 171.8 | -171.3 | 149.3 | 0 | 114.5 | D48 N255 A258 Y327 V331 A332 | D48-K329 WeakPolarHBondContact OD1-CD 3.38Å; D48-K329 WeakPolarHBondContact OD1-CE 3.2Å; D48-K329 IonicContact OD1-NZ 3.71Å; D48-K329 PolarHBondContact OD1-NZ 3.39Å; D48-K329 IonicContact OD2-NZ 2.88Å; D48-K329 PolarHBondContact OD2-NZ 3.49Å; N255-K329 HydrophobicContact CB-CD 3.95Å; N255-K329 PolarHBondContact ND2-NZ 2.93Å; N255-K329 WeakPolarHBondContact OD1-CD 3.1Å; N255-K329 WeakPolarHBondContact OD1-CE 3.3Å; N255-K329 PolarHBondContact OD1-NZ 3.11Å; A258-K329 HydrophobicContact CB-CB 3.96Å; A258-K329 HydrophobicContact CB-CD 4.03Å; A258-K329 HydrophobicContact CB-CG 3.94Å; Y327-K329 HydrophobicContact CE1-CG 4.47Å; K329-V331 VanDerWaalsContact C-N 3.26Å; K329-V331 PolarHBondContact O-N 3.27Å; K329-A332 WeakPolarHBondContact O-CB 3.16Å; K329-A332 PolarHBondContact O-N 3.24Å; K329-A332 VanDerWaalsContact O-N 3.12Å |
| 330 | V | 85.8 | Confident | 91.4 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -66.3 | -32.8 | 173.3 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | Y54 N328 A332 I333 F402 I782 | Y54-V330 HydrophobicContact CE1-CG2 4.42Å; Y54-V330 WeakPolarHBondContact OH-CG2 3.14Å; N328-V330 VanDerWaalsContact C-N 3.31Å; N328-V330 PolarHBondContact O-N 3.24Å; N328-V330 PolarHBondContact OD1-N 2.99Å; N328-V330 VanDerWaalsContact OD1-N 3.14Å; V330-A332 PolarHBondContact O-N 2.66Å; V330-I333 PolarHBondContact O-N 2.88Å; V330-I333 VanDerWaalsContact O-N 3.12Å; V330-F402 HydrophobicContact CG1-CD2 4.22Å; V330-I782 HydrophobicContact CG1-CD1 3.77Å |
| 331 | V | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -57.1 | -21.2 | 172.5 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | Y327 N328 K329 I333 M334 P335 I401 Y405 | Y327-V331 HydrophobicContact CD2-CB 4.23Å; Y327-V331 HydrophobicContact CD2-CG1 4.14Å; Y327-V331 HydrophobicContact CE2-CB 3.8Å; Y327-V331 HydrophobicContact CE2-CG1 3.7Å; N328-V331 WeakPolarHBondContact O-CB 3.43Å; N328-V331 PolarHBondContact O-N 3.45Å; N328-V331 VanDerWaalsContact OD1-CG2 3.32Å; N328-V331 WeakPolarHBondContact OD1-CG2 3.23Å; N328-V331 PolarHBondContact OD1-N 3.21Å; K329-V331 VanDerWaalsContact C-N 3.26Å; K329-V331 PolarHBondContact O-N 3.27Å; V331-I333 PolarHBondContact O-N 3.28Å; V331-I333 VanDerWaalsContact O-N 3.09Å; V331-M334 HydrophobicContact CG1-CB 4.47Å; V331-M334 WeakPolarHBondContact O-CB 3.26Å; V331-M334 PolarHBondContact O-N 2.93Å; V331-P335 WeakPolarHBondContact O-CD 3.24Å; V331-I401 HydrophobicContact CG2-CG2 3.92Å; V331-Y405 HydrophobicContact CG1-CD1 3.89Å; V331-Y405 HydrophobicContact CG1-CD2 4.34Å; V331-Y405 HydrophobicContact CG1-CG 3.8Å; V331-Y405 HydrophobicContact CG2-CD2 3.91Å; V331-Y405 HydrophobicContact CG2-CG 4.1Å |
| 332 | A | 89.5 | Confident | 91.2 | Very high | 19 Ų | 19 | 23 Ų | 23 | 16% | 0.157 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -61.2 | -18.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L261 K329 V330 P335 | L261-A332 HydrophobicContact CD2-CB 3.89Å; L261-A332 WeakPolarHBondContact CD2-O 3.26Å; K329-A332 WeakPolarHBondContact O-CB 3.16Å; K329-A332 PolarHBondContact O-N 3.24Å; K329-A332 VanDerWaalsContact O-N 3.12Å; V330-A332 PolarHBondContact O-N 2.66Å; A332-P335 WeakPolarHBondContact O-CD 3.22Å |
| 333 | I | 89.2 | Confident | 91 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -79.7 | -28.5 | 174.6 | -58 | 170.3 | 0 | 0 | 0 | 111.5 | L261 V330 V331 F336 L337 L839 F850 | L261-I333 HydrophobicContact CD2-CB 4.3Å; L261-I333 HydrophobicContact CD2-CG1 3.52Å; V330-I333 PolarHBondContact O-N 2.88Å; V330-I333 VanDerWaalsContact O-N 3.12Å; V331-I333 PolarHBondContact O-N 3.28Å; V331-I333 VanDerWaalsContact O-N 3.09Å; I333-F336 WeakPolarHBondContact O-CB 3.46Å; I333-F336 PolarHBondContact O-N 3.45Å; I333-L337 PolarHBondContact O-N 3.04Å; I333-L839 HydrophobicContact CG2-CD1 4.23Å; I333-F850 HydrophobicContact CD1-CD2 4.35Å; I333-F850 HydrophobicContact CD1-CG 4.42Å; I333-F850 HydrophobicContact CG2-CD1 3.64Å; I333-F850 HydrophobicContact CG2-CD2 4.13Å; I333-F850 HydrophobicContact CG2-CE1 3.29Å; I333-F850 HydrophobicContact CG2-CE2 3.83Å; I333-F850 HydrophobicContact CG2-CG 4.05Å; I333-F850 HydrophobicContact CG2-CZ 3.4Å; I333-F850 VanDerWaalsContact CG2-CZ 3.4Å |
| 334 | M | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -53.3 | -44.1 | -175.5 | -179.7 | -145.9 | 74.1 | 0 | 0 | 113.6 | V313 M317 V331 F336 L337 I338 F402 T406 A409 | V313-M334 HydrophobicContact CG1-CE 3.6Å; M317-M334 HydrophobicContact CG-CE 3.81Å; M317-M334 HydrophobicContact SD-CE 3.85Å; V331-M334 HydrophobicContact CG1-CB 4.47Å; V331-M334 WeakPolarHBondContact O-CB 3.26Å; V331-M334 PolarHBondContact O-N 2.93Å; M334-F336 PolarHBondContact O-N 2.73Å; M334-L337 WeakPolarHBondContact O-CB 2.96Å; M334-L337 PolarHBondContact O-N 3.37Å; M334-L337 VanDerWaalsContact O-N 3.14Å; M334-I338 HydrophobicContact CG-CG1 3.73Å; M334-I338 WeakPolarHBondContact O-CG1 3.27Å; M334-I338 PolarHBondContact O-N 2.7Å; M334-F402 HydrophobicContact CB-CE2 3.94Å; M334-F402 HydrophobicContact CB-CZ 4.28Å; M334-T406 HydrophobicContact CG-CG2 4.36Å; M334-T406 WeakPolarHBondContact CG-OG1 3.46Å; M334-A409 HydrophobicContact CE-CB 4.15Å; M334-A409 HydrophobicContact SD-CB 3.93Å |
| 335 | P | 92.9 | Very high | 90.7 | Very high | 10 Ų | 10 | 10.3 Ų | 10.3 | 7% | 0.065 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.3 | -38.1 | -179.6 | -26.6 | 36.9 | 0 | 0 | 0 | 114.5 | L265 V313 M317 V331 A332 L337 V339 | L265-P335 HydrophobicContact CD1-CB 3.96Å; V313-P335 HydrophobicContact CG1-CB 3.95Å; V313-P335 HydrophobicContact CG1-CG 4.07Å; M317-P335 HydrophobicContact SD-CG 3.94Å; V331-P335 WeakPolarHBondContact O-CD 3.24Å; A332-P335 WeakPolarHBondContact O-CD 3.22Å; P335-L337 PolarHBondContact O-N 3.19Å; P335-V339 VanDerWaalsContact O-CB 3.32Å; P335-V339 WeakPolarHBondContact O-CB 3.43Å; P335-V339 VanDerWaalsContact O-CG2 3.27Å; P335-V339 WeakPolarHBondContact O-CG2 3.27Å; P335-V339 PolarHBondContact O-N 3.43Å |
| 336 | F | 91.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 1% | 0.013 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 176.6 | -68.1 | -98.6 | 0 | 0 | 0 | 110.7 | L261 R264 L265 C268 I333 M334 S340 L839 | L261-F336 HydrophobicContact CD1-CD2 4.14Å; L261-F336 HydrophobicContact CD1-CE1 4.29Å; L261-F336 HydrophobicContact CD1-CE2 3.5Å; L261-F336 VanDerWaalsContact CD1-CE2 3.5Å; L261-F336 HydrophobicContact CD1-CZ 3.58Å; L261-F336 HydrophobicContact CD2-CE2 4.1Å; L261-F336 HydrophobicContact CG-CD2 4.4Å; L261-F336 HydrophobicContact CG-CE2 3.57Å; L261-F336 HydrophobicContact CG-CZ 3.95Å; L261-F336 WeakPolarHBondContact O-CZ 3.35Å; R264-F336 HydrophobicContact CB-CE1 4.07Å; R264-F336 HydrophobicContact CB-CZ 4.16Å; R264-F336 WeakPolarHBondContact O-CE1 3.21Å; L265-F336 HydrophobicContact CB-CE1 4.24Å; L265-F336 HydrophobicContact CB-CE2 4.13Å; L265-F336 HydrophobicContact CB-CZ 3.64Å; L265-F336 HydrophobicContact CD1-CD1 4.21Å; L265-F336 HydrophobicContact CD1-CD2 3.77Å; L265-F336 HydrophobicContact CD1-CE1 4.03Å; L265-F336 HydrophobicContact CD1-CE2 3.55Å; L265-F336 HydrophobicContact CD1-CG 4.09Å; L265-F336 HydrophobicContact CD1-CZ 3.69Å; L265-F336 HydrophobicContact CG-CE2 4.41Å; L265-F336 HydrophobicContact CG-CZ 4.29Å; L265-F336 VanDerWaalsContact N-CZ 3.35Å; C268-F336 HydrophobicContact CB-CD1 3.76Å; C268-F336 HydrophobicContact CB-CE1 3.86Å; I333-F336 WeakPolarHBondContact O-CB 3.46Å; I333-F336 PolarHBondContact O-N 3.45Å; M334-F336 PolarHBondContact O-N 2.73Å; F336-S340 VanDerWaalsContact O-CB 3.22Å; F336-S340 WeakPolarHBondContact O-CB 3.31Å; F336-S340 PolarHBondContact O-N 2.92Å; F336-S340 PolarHBondContact O-OG 2.79Å; F336-L839 HydrophobicContact CD1-CD2 4.31Å; F336-L839 HydrophobicContact CE1-CD2 4.43Å |
| 337 | L | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -73.3 | -59.1 | -177.8 | -169.9 | 72.5 | 0 | 0 | 0 | 111.6 | I333 M334 P335 V339 S340 V341 M786 F790 V836 F850 V854 | I333-L337 PolarHBondContact O-N 3.04Å; M334-L337 WeakPolarHBondContact O-CB 2.96Å; M334-L337 PolarHBondContact O-N 3.37Å; M334-L337 VanDerWaalsContact O-N 3.14Å; P335-L337 PolarHBondContact O-N 3.19Å; L337-V339 PolarHBondContact O-N 2.72Å; L337-S340 PolarHBondContact O-N 2.83Å; L337-S340 PolarHBondContact O-OG 3.44Å; L337-V341 WeakPolarHBondContact O-CG2 3.14Å; L337-V341 PolarHBondContact O-N 3.05Å; L337-M786 HydrophobicContact CD1-SD 3.75Å; L337-M786 HydrophobicContact CD2-CG 4.06Å; L337-M786 HydrophobicContact CD2-SD 3.3Å; L337-M786 WeakPolarHBondContact CD2-SD 3.2Å; L337-M786 HydrophobicContact CG-SD 4.08Å; L337-F790 HydrophobicContact CD1-CE2 3.75Å; L337-F790 HydrophobicContact CD1-CZ 4.47Å; L337-F790 HydrophobicContact CD2-CE2 3.7Å; L337-F790 HydrophobicContact CD2-CZ 3.82Å; L337-F790 HydrophobicContact CG-CE2 3.7Å; L337-F790 HydrophobicContact CG-CZ 3.94Å; L337-V836 HydrophobicContact CD1-CG1 4.34Å; L337-F850 HydrophobicContact CD1-CE1 4.43Å; L337-F850 HydrophobicContact CD1-CZ 4.43Å; L337-F850 HydrophobicContact CD2-CZ 4.25Å; L337-V854 HydrophobicContact CD1-CG1 4.29Å; L337-V854 HydrophobicContact CD1-CG2 4.31Å |
| 338 | I | 93.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -67.1 | -37 | -169.6 | -61.4 | -65.1 | 0 | 0 | 0 | 111.9 | V313 M334 R342 T406 A409 I410 T413 F790 | V313-I338 HydrophobicContact CG2-CB 4.05Å; V313-I338 HydrophobicContact CG2-CG2 3.7Å; M334-I338 HydrophobicContact CG-CG1 3.73Å; M334-I338 WeakPolarHBondContact O-CG1 3.27Å; M334-I338 PolarHBondContact O-N 2.7Å; I338-R342 HydrophobicContact CG2-CG 3.99Å; I338-R342 VanDerWaalsContact O-CB 3.32Å; I338-R342 WeakPolarHBondContact O-CB 3.06Å; I338-R342 VanDerWaalsContact O-CG 3.23Å; I338-R342 WeakPolarHBondContact O-CG 3.34Å; I338-R342 PolarHBondContact O-N 2.96Å; I338-T406 HydrophobicContact CD1-CG2 3.46Å; I338-T406 VanDerWaalsContact CD1-CG2 3.46Å; I338-T406 HydrophobicContact CG1-CG2 4.03Å; I338-A409 HydrophobicContact CG2-CB 4.17Å; I338-I410 HydrophobicContact CD1-CD1 4.37Å; I338-I410 HydrophobicContact CD1-CG1 4.09Å; I338-T413 HydrophobicContact CG2-CG2 4.32Å; I338-F790 HydrophobicContact CD1-CZ 4.49Å |
| 339 | V | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 172.6 | 176 | 0 | 0 | 0 | 0 | 110 | F269 L272 V306 A309 V313 P335 L337 V341 I343 | F269-V339 HydrophobicContact CD1-CG1 4.28Å; F269-V339 HydrophobicContact CE1-CB 4.21Å; F269-V339 HydrophobicContact CE1-CG1 4.17Å; F269-V339 HydrophobicContact CE1-CG2 3.94Å; F269-V339 HydrophobicContact CZ-CG2 4.46Å; L272-V339 HydrophobicContact CD1-CG1 3.95Å; V306-V339 HydrophobicContact CG1-CG1 4.4Å; A309-V339 HydrophobicContact CB-CG1 4.32Å; V313-V339 HydrophobicContact CB-CG2 4.39Å; V313-V339 HydrophobicContact CG2-CG2 3.92Å; P335-V339 VanDerWaalsContact O-CB 3.32Å; P335-V339 WeakPolarHBondContact O-CB 3.43Å; P335-V339 VanDerWaalsContact O-CG2 3.27Å; P335-V339 WeakPolarHBondContact O-CG2 3.27Å; P335-V339 PolarHBondContact O-N 3.43Å; L337-V339 PolarHBondContact O-N 2.72Å; V339-V341 PolarHBondContact O-N 2.84Å; V339-I343 HydrophobicContact CG1-CD1 4.14Å; V339-I343 WeakPolarHBondContact O-CD1 3.23Å; V339-I343 WeakPolarHBondContact O-CG1 3.4Å; V339-I343 PolarHBondContact O-N 3.45Å |
| 340 | S | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.3 | -36.7 | -176.6 | 72.8 | 0 | 0 | 0 | 0 | 113.9 | F336 L337 S831 | F336-S340 VanDerWaalsContact O-CB 3.22Å; F336-S340 WeakPolarHBondContact O-CB 3.31Å; F336-S340 PolarHBondContact O-N 2.92Å; F336-S340 PolarHBondContact O-OG 2.79Å; L337-S340 PolarHBondContact O-N 2.83Å; L337-S340 PolarHBondContact O-OG 3.44Å; S340-S831 PolarHBondContact O-OG 3.4Å |
| 341 | V | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 4.9 Ų | 4.9 | 2% | 0.024 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -70.2 | -62.4 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 108.4 | L337 V339 I343 D344 F790 T832 | L337-V341 WeakPolarHBondContact O-CG2 3.14Å; L337-V341 PolarHBondContact O-N 3.05Å; V339-V341 PolarHBondContact O-N 2.84Å; V341-I343 PolarHBondContact O-N 3.3Å; V341-D344 WeakPolarHBondContact CG1-OD2 3.41Å; V341-D344 WeakPolarHBondContact O-CB 3.16Å; V341-D344 PolarHBondContact O-N 3.27Å; V341-D344 VanDerWaalsContact O-OD2 3.06Å; V341-F790 HydrophobicContact CB-CE1 4.34Å; V341-F790 HydrophobicContact CB-CZ 4.27Å; V341-F790 HydrophobicContact CG1-CD1 4.08Å; V341-F790 HydrophobicContact CG1-CE1 3.8Å; V341-F790 HydrophobicContact CG1-CZ 4.22Å; V341-F790 HydrophobicContact CG2-CD1 4.46Å; V341-F790 HydrophobicContact CG2-CD2 4.14Å; V341-F790 HydrophobicContact CG2-CE1 4.03Å; V341-F790 HydrophobicContact CG2-CE2 3.64Å; V341-F790 HydrophobicContact CG2-CZ 3.61Å; V341-T832 HydrophobicContact CG2-CG2 3.82Å |
| 342 | R | 92.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.008 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59 | -12.1 | -172.1 | -63.6 | -65.2 | 79.7 | 147.5 | 2.3 | 116.8 | A309 I338 D344 N345 D384 Q417 D793 | A309-R342 HydrophobicContact CB-CB 4.44Å; I338-R342 HydrophobicContact CG2-CG 3.99Å; I338-R342 VanDerWaalsContact O-CB 3.32Å; I338-R342 WeakPolarHBondContact O-CB 3.06Å; I338-R342 VanDerWaalsContact O-CG 3.23Å; I338-R342 WeakPolarHBondContact O-CG 3.34Å; I338-R342 PolarHBondContact O-N 2.96Å; R342-D344 WeakPolarHBondContact CA-OD1 3.37Å; R342-D344 IonicContact NE-OD1 2.71Å; R342-D344 IonicContact NH2-OD2 2.92Å; R342-D344 PolarHBondContact O-N 2.88Å; R342-N345 PolarHBondContact NE-ND2 2.84Å; R342-D384 IonicContact CZ-OD2 2.73Å; R342-D384 IonicContact NH1-OD2 3.23Å; R342-D384 PolarHBondContact NH1-OD2 3.48Å; R342-D384 IonicContact NH2-OD2 3.45Å; R342-D384 PolarHBondContact NH2-OD2 2.87Å; R342-Q417 PolarHBondContact O-NE2 2.8Å; R342-D793 IonicContact NH2-OD2 3.85Å; R342-D793 PolarHBondContact NH2-OD2 3.06Å |
| 343 | I | 90.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.7 | 168.7 | -67.4 | 160 | 0 | 0 | 0 | 111.1 | L272 V306 V339 V341 N345 T346 F347 | L272-I343 HydrophobicContact CB-CD1 4.02Å; L272-I343 HydrophobicContact CD1-CD1 3.97Å; L272-I343 HydrophobicContact CD2-CD1 4.19Å; L272-I343 HydrophobicContact CG-CD1 4.29Å; V306-I343 HydrophobicContact CB-CD1 4.38Å; V306-I343 HydrophobicContact CG1-CD1 4.23Å; V306-I343 HydrophobicContact CG2-CD1 3.73Å; V306-I343 HydrophobicContact CG2-CG1 3.94Å; V339-I343 HydrophobicContact CG1-CD1 4.14Å; V339-I343 WeakPolarHBondContact O-CD1 3.23Å; V339-I343 WeakPolarHBondContact O-CG1 3.4Å; V339-I343 PolarHBondContact O-N 3.45Å; V341-I343 PolarHBondContact O-N 3.3Å; I343-N345 VanDerWaalsContact C-N 3.28Å; I343-N345 PolarHBondContact O-N 3.3Å; I343-T346 WeakPolarHBondContact O-CA 3.34Å; I343-T346 WeakPolarHBondContact O-CB 3.17Å; I343-T346 PolarHBondContact O-N 3.49Å; I343-F347 HydrophobicContact CG2-CD2 4.17Å; I343-F347 HydrophobicContact CG2-CE1 4.25Å; I343-F347 HydrophobicContact CG2-CE2 3.48Å; I343-F347 VanDerWaalsContact CG2-CE2 3.48Å; I343-F347 HydrophobicContact CG2-CZ 3.51Å; I343-F347 PolarHBondContact O-N 3.3Å |
| 344 | D | 89.7 | Confident | 90 | Very high | 9 Ų | 9 | 4.8 Ų | 4.8 | 5% | 0.048 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -45.5 | -48.1 | 171.6 | 56.7 | 3.3 | 0 | 0 | 0 | 113.4 | V341 R342 T346 F347 L348 | V341-D344 WeakPolarHBondContact CG1-OD2 3.41Å; V341-D344 WeakPolarHBondContact O-CB 3.16Å; V341-D344 PolarHBondContact O-N 3.27Å; V341-D344 VanDerWaalsContact O-OD2 3.06Å; R342-D344 WeakPolarHBondContact CA-OD1 3.37Å; R342-D344 IonicContact NE-OD1 2.71Å; R342-D344 IonicContact NH2-OD2 2.92Å; R342-D344 PolarHBondContact O-N 2.88Å; D344-T346 PolarHBondContact O-N 3.42Å; D344-F347 PolarHBondContact O-N 3.15Å; D344-F347 VanDerWaalsContact O-N 3.08Å; D344-L348 PolarHBondContact O-N 3.02Å |
| 345 | N | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.8 | -28 | -178.5 | -68.6 | -60.6 | 0 | 0 | 0 | 111 | R342 I343 M349 I377 T380 Q417 | R342-N345 PolarHBondContact NE-ND2 2.84Å; I343-N345 VanDerWaalsContact C-N 3.28Å; I343-N345 PolarHBondContact O-N 3.3Å; N345-M349 VanDerWaalsContact O-CB 3.31Å; N345-M349 WeakPolarHBondContact O-CB 3.34Å; N345-M349 PolarHBondContact O-N 3.06Å; N345-I377 HydrophobicContact CB-CD1 4.27Å; N345-I377 HydrophobicContact CB-CG1 4.19Å; N345-I377 HydrophobicContact CB-CG2 4.41Å; N345-I377 WeakPolarHBondContact OD1-CG1 3.26Å; N345-T380 PolarHBondContact OD1-OG1 3.42Å; N345-Q417 PolarHBondContact ND2-NE2 3.45Å |
| 346 | T | 91.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 6.8 Ų | 6.8 | 1% | 0.012 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.8 | -45.2 | 172.5 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | V301 G305 I343 D344 M349 I350 L421 | V301-T346 HydrophobicContact CG1-CG2 4.47Å; G305-T346 WeakPolarHBondContact CA-OG1 2.87Å; I343-T346 WeakPolarHBondContact O-CA 3.34Å; I343-T346 WeakPolarHBondContact O-CB 3.17Å; I343-T346 PolarHBondContact O-N 3.49Å; D344-T346 PolarHBondContact O-N 3.42Å; T346-M349 PolarHBondContact O-N 2.85Å; T346-I350 HydrophobicContact CG2-CD1 4.09Å; T346-I350 VanDerWaalsContact O-CG1 3.31Å; T346-I350 WeakPolarHBondContact O-CG1 3.39Å; T346-I350 PolarHBondContact O-N 3.22Å; T346-L421 HydrophobicContact CG2-CD1 3.91Å |
| 347 | F | 90.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 10.5 Ų | 10.5 | 2% | 0.022 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.1 | -59.2 | -45 | 0 | 0 | 0 | 111.9 | F275 I343 D344 M349 I350 A351 P824 Q827 | F275-F347 HydrophobicContact CD1-CZ 4.26Å; F275-F347 AromaticContact CE1-CE2 3.97Å; F275-F347 HydrophobicContact CE1-CE2 3.97Å; F275-F347 AromaticContact CE1-CZ 3.94Å; F275-F347 HydrophobicContact CE1-CZ 3.94Å; I343-F347 HydrophobicContact CG2-CD2 4.17Å; I343-F347 HydrophobicContact CG2-CE1 4.25Å; I343-F347 HydrophobicContact CG2-CE2 3.48Å; I343-F347 VanDerWaalsContact CG2-CE2 3.48Å; I343-F347 HydrophobicContact CG2-CZ 3.51Å; I343-F347 PolarHBondContact O-N 3.3Å; D344-F347 PolarHBondContact O-N 3.15Å; D344-F347 VanDerWaalsContact O-N 3.08Å; F347-M349 VanDerWaalsContact C-N 3.34Å; F347-M349 PolarHBondContact O-N 2.64Å; F347-I350 PolarHBondContact O-N 2.64Å; F347-A351 WeakPolarHBondContact O-CB 3.39Å; F347-A351 PolarHBondContact O-N 3.19Å; F347-P824 HydrophobicContact CB-CB 4.45Å; F347-Q827 HydrophobicContact CB-CB 4.49Å; F347-Q827 HydrophobicContact CD2-CB 3.65Å; F347-Q827 HydrophobicContact CE2-CB 3.98Å; F347-Q827 HydrophobicContact CG-CB 4.08Å |
| 348 | L | 89.5 | Confident | 88.1 | Confident | 10 Ų | 10 | 15.9 Ų | 15.9 | 5% | 0.052 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.8 | -175.5 | 67.3 | 0 | 0 | 0 | 112 | D344 A351 A352 I377 H797 L821 | D344-L348 PolarHBondContact O-N 3.02Å; L348-A351 PolarHBondContact O-N 2.97Å; L348-A352 PolarHBondContact O-N 3.08Å; L348-I377 HydrophobicContact CD2-CG1 3.93Å; L348-H797 WeakPolarHBondContact CD2-CE1 3.45Å; L348-L821 HydrophobicContact CD1-CD2 3.46Å; L348-L821 VanDerWaalsContact CD1-CD2 3.46Å |
| 349 | M | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 178.3 | -173.9 | 60.1 | 61.4 | 0 | 0 | 112.4 | N345 T346 F347 A351 A352 L353 I370 A373 I377 F422 L425 | N345-M349 VanDerWaalsContact O-CB 3.31Å; N345-M349 WeakPolarHBondContact O-CB 3.34Å; N345-M349 PolarHBondContact O-N 3.06Å; T346-M349 PolarHBondContact O-N 2.85Å; F347-M349 VanDerWaalsContact C-N 3.34Å; F347-M349 PolarHBondContact O-N 2.64Å; M349-A351 VanDerWaalsContact C-N 3.31Å; M349-A351 PolarHBondContact O-N 3.28Å; M349-A352 PolarHBondContact O-N 3.08Å; M349-L353 PolarHBondContact O-N 3.24Å; M349-I370 HydrophobicContact SD-CG1 4.04Å; M349-A373 HydrophobicContact CE-CB 3.49Å; M349-A373 VanDerWaalsContact CE-CB 3.49Å; M349-A373 HydrophobicContact SD-CB 3.86Å; M349-I377 HydrophobicContact CE-CD1 3.53Å; M349-F422 HydrophobicContact CE-CD1 4.1Å; M349-F422 HydrophobicContact CE-CE1 3.34Å; M349-F422 HydrophobicContact CE-CZ 3.86Å; M349-L425 HydrophobicContact CG-CD1 3.93Å; M349-L425 HydrophobicContact CG-CD2 3.42Å; M349-L425 VanDerWaalsContact CG-CD2 3.42Å; M349-L425 HydrophobicContact CG-CG 4.24Å; M349-L425 HydrophobicContact SD-CD2 3.48Å; M349-L425 WeakPolarHBondContact SD-CD2 3.4Å |
| 350 | I | 87.4 | Confident | 87 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 174.7 | -68.3 | 167.2 | 0 | 0 | 0 | 110 | T280 Y297 V301 A302 T346 F347 L353 A354 | T280-I350 HydrophobicContact CG2-CD1 4.45Å; Y297-I350 HydrophobicContact CD2-CG2 3.61Å; Y297-I350 HydrophobicContact CE2-CG2 3.92Å; Y297-I350 HydrophobicContact CG-CG2 3.95Å; V301-I350 HydrophobicContact CG1-CD1 4.26Å; V301-I350 HydrophobicContact CG1-CG1 4.18Å; A302-I350 HydrophobicContact CB-CD1 4.36Å; T346-I350 HydrophobicContact CG2-CD1 4.09Å; T346-I350 VanDerWaalsContact O-CG1 3.31Å; T346-I350 WeakPolarHBondContact O-CG1 3.39Å; T346-I350 PolarHBondContact O-N 3.22Å; F347-I350 PolarHBondContact O-N 2.64Å; I350-L353 PolarHBondContact O-N 3.35Å; I350-A354 VanDerWaalsContact O-CB 3.32Å; I350-A354 WeakPolarHBondContact O-CB 3.35Å; I350-A354 PolarHBondContact O-N 2.78Å |
| 351 | A | 86 | Confident | 86.9 | Confident | 21 Ų | 21 | 29 Ų | 29 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F347 L348 M349 A354 A355 P824 | F347-A351 WeakPolarHBondContact O-CB 3.39Å; F347-A351 PolarHBondContact O-N 3.19Å; L348-A351 PolarHBondContact O-N 2.97Å; M349-A351 VanDerWaalsContact C-N 3.31Å; M349-A351 PolarHBondContact O-N 3.28Å; A351-A354 WeakPolarHBondContact O-CB 3.19Å; A351-A354 PolarHBondContact O-N 3.37Å; A351-A355 WeakPolarHBondContact O-CB 3.31Å; A351-A355 PolarHBondContact O-N 3.1Å; A351-P824 HydrophobicContact CB-CB 4.45Å; A351-P824 HydrophobicContact CB-CG 3.43Å; A351-P824 VanDerWaalsContact CB-CG 3.43Å |
| 352 | A | 87.7 | Confident | 86.7 | Confident | 12 Ų | 12 | 30 Ų | 30 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L348 M349 A354 A355 A356 A369 A373 | L348-A352 PolarHBondContact O-N 3.08Å; M349-A352 PolarHBondContact O-N 3.08Å; A352-A354 PolarHBondContact O-N 3.23Å; A352-A355 PolarHBondContact O-N 2.72Å; A352-A356 PolarHBondContact O-N 3.49Å; A352-A369 HydrophobicContact CB-CB 4.42Å; A352-A373 HydrophobicContact CB-CB 3.78Å |
| 353 | L | 86.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -31.7 | 174.4 | -178.1 | 61.6 | 0 | 0 | 0 | 112.4 | Y297 M349 I350 R365 I366 A369 L425 A429 | Y297-L353 HydrophobicContact CE1-CD2 3.69Å; Y297-L353 HydrophobicContact CE1-CG 4.11Å; Y297-L353 PolarHBondContact OH-O 3.31Å; M349-L353 PolarHBondContact O-N 3.24Å; I350-L353 PolarHBondContact O-N 3.35Å; L353-R365 HydrophobicContact CD1-CG 4.3Å; L353-R365 PolarHBondContact O-NE 2.98Å; L353-R365 PolarHBondContact O-NH2 2.91Å; L353-I366 HydrophobicContact CD1-CG1 4.42Å; L353-A369 HydrophobicContact CB-CB 4.17Å; L353-A369 HydrophobicContact CD1-CB 4.17Å; L353-L425 HydrophobicContact CB-CD1 4.45Å; L353-L425 HydrophobicContact CD2-CD1 3.68Å; L353-L425 HydrophobicContact CD2-CG 4.04Å; L353-A429 HydrophobicContact CD1-CB 4.41Å; L353-A429 HydrophobicContact CD2-CB 4.2Å |
| 354 | A | 82.5 | Confident | 86.8 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.1 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y297 I350 A351 A352 E498 | Y297-A354 HydrophobicContact CE2-CB 3.87Å; Y297-A354 WeakPolarHBondContact OH-CA 3.41Å; Y297-A354 WeakPolarHBondContact OH-CB 3.47Å; Y297-A354 PolarHBondContact OH-N 3.3Å; Y297-A354 VanDerWaalsContact OH-N 3.16Å; I350-A354 VanDerWaalsContact O-CB 3.32Å; I350-A354 WeakPolarHBondContact O-CB 3.35Å; I350-A354 PolarHBondContact O-N 2.78Å; A351-A354 WeakPolarHBondContact O-CB 3.19Å; A351-A354 PolarHBondContact O-N 3.37Å; A352-A354 PolarHBondContact O-N 3.23Å; A354-E498 WeakPolarHBondContact CB-OE1 3.49Å |
| 355 | A | 81.1 | Confident | 86.8 | Confident | 45 Ų | 45 | 36 Ų | 36 | 37% | 0.372 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -77 | -27.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A351 A352 | A351-A355 WeakPolarHBondContact O-CB 3.31Å; A351-A355 PolarHBondContact O-N 3.1Å; A352-A355 PolarHBondContact O-N 2.72Å |
| 356 | A | 85 | Confident | 86.9 | Confident | 7 Ų | 7 | 36 Ų | 36 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -61.6 | 142.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | A352 R358 R365 A369 | A352-A356 PolarHBondContact O-N 3.49Å; A356-R358 PolarHBondContact O-N 3.4Å; A356-R365 HydrophobicContact CB-CG 3.71Å; A356-A369 HydrophobicContact CB-CB 4.07Å |
| 357 | D | 81.1 | Confident | 86.9 | Confident | 80 Ų | 80 | 36.2 Ų | 36.2 | 43% | 0.428 | 20% | 0.2 | S | C | . | . | trans | -59.1 | 124.5 | -175.5 | -175.7 | 2.8 | 0 | 0 | 0 | 111.8 | N359 L360 | D357-N359 VanDerWaalsContact C-N 3.29Å; D357-N359 PolarHBondContact O-N 2.72Å; D357-N359 WeakPolarHBondContact OD1-CB 3.37Å; D357-N359 PolarHBondContact OD1-N 2.61Å; D357-N359 PolarHBondContact OD1-ND2 2.89Å; D357-N359 VanDerWaalsContact OD1-ND2 3.08Å; D357-L360 HydrophobicContact CB-CD1 3.95Å; D357-L360 HydrophobicContact CB-CG 4.02Å; D357-L360 PolarHBondContact O-N 2.83Å | ||
| 358 | R | 77.8 | Confident | 86.9 | Confident | 114 Ų | 114 | 40.5 Ų | 40.5 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.7 | -178.7 | -63 | -172.9 | -176.1 | 163 | 8.1 | 113.4 | A356 L360 | A356-R358 PolarHBondContact O-N 3.4Å; R358-L360 VanDerWaalsContact C-N 3.29Å |
| 359 | N | 79.5 | Confident | 86.9 | Confident | 148 Ų | 148 | 40 Ų | 40 | 79% | 0.791 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.7 | 175.6 | -59.2 | -48.3 | 0 | 0 | 0 | 112.6 | D357 | D357-N359 VanDerWaalsContact C-N 3.29Å; D357-N359 PolarHBondContact O-N 2.72Å; D357-N359 WeakPolarHBondContact OD1-CB 3.37Å; D357-N359 PolarHBondContact OD1-N 2.61Å; D357-N359 PolarHBondContact OD1-ND2 2.89Å; D357-N359 VanDerWaalsContact OD1-ND2 3.08Å |
| 360 | L | 84.9 | Confident | 87 | Confident | 73 Ų | 73 | 40 Ų | 40 | 38% | 0.382 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -73.5 | 160 | 177.4 | -65.4 | 175.2 | 0 | 0 | 0 | 111.7 | D357 R358 D364 R365 | D357-L360 HydrophobicContact CB-CD1 3.95Å; D357-L360 HydrophobicContact CB-CG 4.02Å; D357-L360 PolarHBondContact O-N 2.83Å; R358-L360 VanDerWaalsContact C-N 3.29Å; L360-D364 HydrophobicContact CB-CB 4.21Å; L360-R365 HydrophobicContact CB-CB 4.25Å |
| 361 | S | 89.1 | Confident | 87.1 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | trans | -59.1 | 154.2 | 168.5 | 83 | 0 | 0 | 0 | 0 | 110.1 | E363 D364 R365 | S361-E363 PolarHBondContact O-N 3Å; S361-D364 PolarHBondContact O-N 2.84Å; S361-D364 VanDerWaalsContact O-N 3.17Å; S361-D364 WeakPolarHBondContact OG-CB 3.01Å; S361-D364 VanDerWaalsContact OG-CG 3.23Å; S361-D364 PolarHBondContact OG-N 3.38Å; S361-D364 VanDerWaalsContact OG-N 3.08Å; S361-D364 PolarHBondContact OG-OD2 2.95Å; S361-R365 WeakPolarHBondContact O-CB 3.49Å; S361-R365 PolarHBondContact O-N 2.74Å | ||
| 362 | V | 88 | Confident | 87 | Confident | 25 Ų | 25 | 41 Ų | 41 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -37.7 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | Y20 I366 A429 R430 N433 | Y20-V362 HydrophobicContact CE2-CG1 4.16Å; V362-I366 HydrophobicContact CG1-CD1 3.84Å; V362-I366 VanDerWaalsContact O-CD1 3.25Å; V362-I366 WeakPolarHBondContact O-CD1 2.93Å; V362-I366 WeakPolarHBondContact O-CG1 3.32Å; V362-I366 PolarHBondContact O-N 3.43Å; V362-A429 HydrophobicContact CG1-CB 4.25Å; V362-R430 HydrophobicContact CG1-CG 4.45Å; V362-N433 HydrophobicContact CG2-CB 3.56Å; V362-N433 VanDerWaalsContact CG2-ND2 3.25Å; V362-N433 WeakPolarHBondContact CG2-ND2 3.43Å |
| 363 | E | 92.1 | Very high | 87.1 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -54.1 | 175.9 | -176.1 | 168.6 | 177 | 0 | 0 | 110.9 | Y20 S361 R365 I366 V367 | Y20-E363 HydrophobicContact CD1-CB 3.86Å; Y20-E363 HydrophobicContact CD1-CG 3.53Å; Y20-E363 HydrophobicContact CE1-CB 3.57Å; Y20-E363 HydrophobicContact CE1-CG 3.76Å; Y20-E363 HydrophobicContact CE2-CB 4.3Å; Y20-E363 HydrophobicContact CG-CB 4.33Å; Y20-E363 HydrophobicContact CG-CG 4.02Å; S361-E363 PolarHBondContact O-N 3Å; E363-R365 VanDerWaalsContact C-N 3.32Å; E363-R365 PolarHBondContact O-N 3.16Å; E363-I366 PolarHBondContact O-N 3.34Å; E363-V367 HydrophobicContact CG-CG2 4.45Å; E363-V367 WeakPolarHBondContact O-CB 3.26Å; E363-V367 WeakPolarHBondContact O-CG2 3.36Å; E363-V367 PolarHBondContact O-N 3.43Å |
| 364 | D | 92.1 | Very high | 87.2 | Confident | 67 Ų | 67 | 41 Ų | 41 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66 | -35.4 | -176.5 | -63.6 | -48.4 | 0 | 0 | 0 | 112.2 | L360 S361 V367 E368 | L360-D364 HydrophobicContact CB-CB 4.21Å; S361-D364 PolarHBondContact O-N 2.84Å; S361-D364 VanDerWaalsContact O-N 3.17Å; S361-D364 WeakPolarHBondContact OG-CB 3.01Å; S361-D364 VanDerWaalsContact OG-CG 3.23Å; S361-D364 PolarHBondContact OG-N 3.38Å; S361-D364 VanDerWaalsContact OG-N 3.08Å; S361-D364 PolarHBondContact OG-OD2 2.95Å; D364-V367 PolarHBondContact O-N 3.28Å; D364-E368 WeakPolarHBondContact O-CB 3.42Å; D364-E368 PolarHBondContact O-N 2.69Å |
| 365 | R | 90.3 | Very high | 87.4 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 175.2 | -176 | 179.8 | 168.4 | -142.5 | -4.8 | 111.9 | Y297 L353 A356 L360 S361 E363 A369 E432 | Y297-R365 PolarHBondContact OH-NH2 2.93Å; L353-R365 HydrophobicContact CD1-CG 4.3Å; L353-R365 PolarHBondContact O-NE 2.98Å; L353-R365 PolarHBondContact O-NH2 2.91Å; A356-R365 HydrophobicContact CB-CG 3.71Å; L360-R365 HydrophobicContact CB-CB 4.25Å; S361-R365 WeakPolarHBondContact O-CB 3.49Å; S361-R365 PolarHBondContact O-N 2.74Å; E363-R365 VanDerWaalsContact C-N 3.32Å; E363-R365 PolarHBondContact O-N 3.16Å; R365-A369 WeakPolarHBondContact O-CB 3.43Å; R365-A369 PolarHBondContact O-N 2.98Å; R365-E432 IonicContact CZ-OE1 3.99Å; R365-E432 IonicContact CZ-OE2 3.42Å; R365-E432 IonicContact NH1-OE1 3.52Å; R365-E432 IonicContact NH1-OE2 2.8Å; R365-E432 PolarHBondContact NH1-OE2 3.4Å; R365-E432 IonicContact NH2-OE1 3.49Å; R365-E432 PolarHBondContact NH2-OE1 2.87Å; R365-E432 IonicContact NH2-OE2 3.15Å; R365-E432 PolarHBondContact NH2-OE2 3.15Å; R365-E432 VanDerWaalsContact NH2-OE2 3.15Å |
| 366 | I | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -41.7 | 176.9 | -67.5 | 161.8 | 0 | 0 | 0 | 110.3 | Y20 L353 V362 E363 E368 A369 I370 V426 A429 | Y20-I366 HydrophobicContact CD2-CD1 3.58Å; Y20-I366 HydrophobicContact CE2-CD1 3.78Å; L353-I366 HydrophobicContact CD1-CG1 4.42Å; V362-I366 HydrophobicContact CG1-CD1 3.84Å; V362-I366 VanDerWaalsContact O-CD1 3.25Å; V362-I366 WeakPolarHBondContact O-CD1 2.93Å; V362-I366 WeakPolarHBondContact O-CG1 3.32Å; V362-I366 PolarHBondContact O-N 3.43Å; E363-I366 PolarHBondContact O-N 3.34Å; I366-E368 VanDerWaalsContact C-N 3.33Å; I366-E368 PolarHBondContact O-N 3.29Å; I366-A369 PolarHBondContact O-N 2.78Å; I366-I370 HydrophobicContact CG2-CD1 3.52Å; I366-I370 HydrophobicContact CG2-CG1 4.1Å; I366-I370 WeakPolarHBondContact O-CB 3.4Å; I366-I370 WeakPolarHBondContact O-CG1 3.44Å; I366-I370 PolarHBondContact O-N 2.88Å; I366-V426 HydrophobicContact CD1-CG2 4.39Å; I366-V426 HydrophobicContact CG2-CG2 4.18Å; I366-A429 HydrophobicContact CD1-CB 3.41Å; I366-A429 VanDerWaalsContact CD1-CB 3.41Å; I366-A429 HydrophobicContact CG1-CB 3.5Å |
| 367 | V | 92.9 | Very high | 87.9 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 178.2 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | A13 A16 R17 E363 D364 S371 | A13-V367 HydrophobicContact CB-CG1 3.72Å; A16-V367 HydrophobicContact CB-CB 4.47Å; A16-V367 HydrophobicContact CB-CG2 4.06Å; R17-V367 HydrophobicContact CB-CG2 4.49Å; R17-V367 HydrophobicContact CG-CG2 3.47Å; R17-V367 VanDerWaalsContact CG-CG2 3.47Å; E363-V367 HydrophobicContact CG-CG2 4.45Å; E363-V367 WeakPolarHBondContact O-CB 3.26Å; E363-V367 WeakPolarHBondContact O-CG2 3.36Å; E363-V367 PolarHBondContact O-N 3.43Å; D364-V367 PolarHBondContact O-N 3.28Å; V367-S371 WeakPolarHBondContact O-CB 3.45Å; V367-S371 PolarHBondContact O-N 3.42Å; V367-S371 PolarHBondContact O-OG 3.44Å; V367-S371 VanDerWaalsContact O-OG 3.08Å |
| 368 | E | 90.2 | Very high | 88.4 | Confident | 95 Ų | 95 | 37.8 Ų | 37.8 | 44% | 0.444 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.5 | -55.1 | 175.6 | -171.2 | 64.4 | -160.8 | 0 | 0 | 110.7 | D364 I366 I370 S371 E372 | D364-E368 WeakPolarHBondContact O-CB 3.42Å; D364-E368 PolarHBondContact O-N 2.69Å; I366-E368 VanDerWaalsContact C-N 3.33Å; I366-E368 PolarHBondContact O-N 3.29Å; E368-I370 PolarHBondContact O-N 3.35Å; E368-S371 PolarHBondContact O-N 2.99Å; E368-S371 VanDerWaalsContact O-N 3.14Å; E368-S371 PolarHBondContact O-OG 3.22Å; E368-E372 PolarHBondContact O-N 3.05Å |
| 369 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -47.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A352 L353 A356 R365 I366 A373 | A352-A369 HydrophobicContact CB-CB 4.42Å; L353-A369 HydrophobicContact CB-CB 4.17Å; L353-A369 HydrophobicContact CD1-CB 4.17Å; A356-A369 HydrophobicContact CB-CB 4.07Å; R365-A369 WeakPolarHBondContact O-CB 3.43Å; R365-A369 PolarHBondContact O-N 2.98Å; I366-A369 PolarHBondContact O-N 2.78Å; A369-A373 WeakPolarHBondContact O-CB 3.2Å; A369-A373 PolarHBondContact O-N 2.9Å |
| 370 | I | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 178.1 | -70.5 | 177.9 | 0 | 0 | 0 | 110.4 | A16 M349 I366 E368 E372 A373 S374 F422 L425 | A16-I370 HydrophobicContact CB-CB 3.93Å; A16-I370 HydrophobicContact CB-CD1 4Å; A16-I370 HydrophobicContact CB-CG2 3.8Å; M349-I370 HydrophobicContact SD-CG1 4.04Å; I366-I370 HydrophobicContact CG2-CD1 3.52Å; I366-I370 HydrophobicContact CG2-CG1 4.1Å; I366-I370 WeakPolarHBondContact O-CB 3.4Å; I366-I370 WeakPolarHBondContact O-CG1 3.44Å; I366-I370 PolarHBondContact O-N 2.88Å; E368-I370 PolarHBondContact O-N 3.35Å; I370-E372 VanDerWaalsContact C-N 3.29Å; I370-E372 PolarHBondContact O-N 3.18Å; I370-A373 PolarHBondContact O-N 3.4Å; I370-S374 WeakPolarHBondContact O-CB 3.49Å; I370-S374 PolarHBondContact O-N 2.67Å; I370-S374 PolarHBondContact O-OG 3.08Å; I370-S374 VanDerWaalsContact O-OG 3.04Å; I370-F422 HydrophobicContact CD1-CB 4.36Å; I370-F422 HydrophobicContact CD1-CD2 4.02Å; I370-F422 HydrophobicContact CD1-CG 4.15Å; I370-F422 HydrophobicContact CG2-CD2 3.83Å; I370-F422 HydrophobicContact CG2-CE2 3.32Å; I370-F422 HydrophobicContact CG2-CZ 3.79Å; I370-L425 HydrophobicContact CD1-CD2 4.24Å; I370-L425 HydrophobicContact CG1-CD2 3.92Å |
| 371 | S | 89.4 | Confident | 89.6 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.4 | -31.1 | -178.1 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | V367 E368 S374 | V367-S371 WeakPolarHBondContact O-CB 3.45Å; V367-S371 PolarHBondContact O-N 3.42Å; V367-S371 PolarHBondContact O-OG 3.44Å; V367-S371 VanDerWaalsContact O-OG 3.08Å; E368-S371 PolarHBondContact O-N 2.99Å; E368-S371 VanDerWaalsContact O-N 3.14Å; E368-S371 PolarHBondContact O-OG 3.22Å; S371-S374 PolarHBondContact O-OG 3.26Å |
| 372 | E | 85.4 | Confident | 89.7 | Confident | 46 Ų | 46 | 20.8 Ų | 20.8 | 22% | 0.215 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -76.9 | -49 | 175.3 | -176.8 | 169.2 | -160.2 | 0 | 0 | 111.3 | E368 I370 | E368-E372 PolarHBondContact O-N 3.05Å; I370-E372 VanDerWaalsContact C-N 3.29Å; I370-E372 PolarHBondContact O-N 3.18Å |
| 373 | A | 88.9 | Confident | 89.7 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.5 | -35.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M349 A352 A369 I370 V375 S376 I377 | M349-A373 HydrophobicContact CE-CB 3.49Å; M349-A373 VanDerWaalsContact CE-CB 3.49Å; M349-A373 HydrophobicContact SD-CB 3.86Å; A352-A373 HydrophobicContact CB-CB 3.78Å; A369-A373 WeakPolarHBondContact O-CB 3.2Å; A369-A373 PolarHBondContact O-N 2.9Å; I370-A373 PolarHBondContact O-N 3.4Å; A373-V375 VanDerWaalsContact C-N 3.3Å; A373-V375 PolarHBondContact O-N 3.36Å; A373-S376 PolarHBondContact O-N 2.82Å; A373-I377 HydrophobicContact CB-CD1 4.36Å; A373-I377 WeakPolarHBondContact O-CG1 3.24Å; A373-I377 PolarHBondContact O-N 3.09Å |
| 374 | S | 88.7 | Confident | 89.6 | Confident | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.4 | -35.2 | -175.3 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | S12 I370 S371 S376 F378 | S12-S374 WeakPolarHBondContact CB-OG 3.39Å; S12-S374 WeakPolarHBondContact OG-CB 3.3Å; S12-S374 PolarHBondContact OG-OG 2.75Å; I370-S374 WeakPolarHBondContact O-CB 3.49Å; I370-S374 PolarHBondContact O-N 2.67Å; I370-S374 PolarHBondContact O-OG 3.08Å; I370-S374 VanDerWaalsContact O-OG 3.04Å; S371-S374 PolarHBondContact O-OG 3.26Å; S374-S376 VanDerWaalsContact C-N 3.29Å; S374-S376 PolarHBondContact O-N 3.08Å; S374-F378 WeakPolarHBondContact O-CB 3.2Å; S374-F378 PolarHBondContact O-N 2.87Å |
| 375 | V | 87.5 | Confident | 89.7 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | E5 L8 R9 A373 L379 Y800 | E5-V375 HydrophobicContact CG-CG1 4.27Å; L8-V375 HydrophobicContact CB-CG2 4.49Å; L8-V375 HydrophobicContact CD2-CB 4.29Å; L8-V375 HydrophobicContact CD2-CG1 4.23Å; L8-V375 HydrophobicContact CD2-CG2 4.1Å; L8-V375 HydrophobicContact CG-CG2 4.21Å; R9-V375 HydrophobicContact CG-CG2 3.4Å; A373-V375 VanDerWaalsContact C-N 3.3Å; A373-V375 PolarHBondContact O-N 3.36Å; V375-L379 WeakPolarHBondContact O-CB 3.5Å; V375-L379 PolarHBondContact O-N 2.87Å; V375-Y800 HydrophobicContact CB-CE1 4.26Å; V375-Y800 WeakPolarHBondContact CB-OH 3.37Å; V375-Y800 HydrophobicContact CG1-CE1 4.23Å; V375-Y800 HydrophobicContact CG1-CE2 3.79Å; V375-Y800 VanDerWaalsContact CG1-CZ 3.48Å; V375-Y800 VanDerWaalsContact CG1-OH 3.28Å; V375-Y800 WeakPolarHBondContact CG1-OH 3.48Å |
| 376 | S | 87.3 | Confident | 89.7 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72.6 | -40.8 | -178.2 | -147.7 | 0 | 0 | 0 | 0 | 112 | A373 S374 L379 T380 H797 | A373-S376 PolarHBondContact O-N 2.82Å; S374-S376 VanDerWaalsContact C-N 3.29Å; S374-S376 PolarHBondContact O-N 3.08Å; S376-L379 WeakPolarHBondContact O-CB 3.5Å; S376-L379 PolarHBondContact O-N 2.97Å; S376-T380 WeakPolarHBondContact O-CG2 3.32Å; S376-T380 PolarHBondContact O-N 2.93Å; S376-T380 VanDerWaalsContact O-N 3.08Å; S376-H797 PolarHBondContact OG-CE1 3.12Å; S376-H797 PolarHBondContact OG-ND1 3.44Å |
| 377 | I | 90.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 173.8 | -63 | 171.6 | 0 | 0 | 0 | 110.7 | N345 L348 M349 A373 L379 T380 V381 F414 | N345-I377 HydrophobicContact CB-CD1 4.27Å; N345-I377 HydrophobicContact CB-CG1 4.19Å; N345-I377 HydrophobicContact CB-CG2 4.41Å; N345-I377 WeakPolarHBondContact OD1-CG1 3.26Å; L348-I377 HydrophobicContact CD2-CG1 3.93Å; M349-I377 HydrophobicContact CE-CD1 3.53Å; A373-I377 HydrophobicContact CB-CD1 4.36Å; A373-I377 WeakPolarHBondContact O-CG1 3.24Å; A373-I377 PolarHBondContact O-N 3.09Å; I377-L379 VanDerWaalsContact C-N 3.29Å; I377-L379 PolarHBondContact O-N 3.33Å; I377-T380 WeakPolarHBondContact CA-OG1 3.39Å; I377-T380 PolarHBondContact O-N 2.95Å; I377-T380 PolarHBondContact O-OG1 2.86Å; I377-V381 HydrophobicContact CG2-CG2 4.3Å; I377-V381 WeakPolarHBondContact O-CB 3.21Å; I377-V381 WeakPolarHBondContact O-CG2 3.46Å; I377-V381 PolarHBondContact O-N 2.98Å; I377-F414 HydrophobicContact CG2-CD2 4.04Å; I377-F414 HydrophobicContact CG2-CE2 3.95Å |
| 378 | F | 90.7 | Very high | 89.6 | Confident | 63 Ų | 63 | 17.3 Ų | 17.3 | 28% | 0.276 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.5 | 178 | -97.5 | 0 | 0 | 0 | 111.1 | F4 L8 S374 A382 F414 L744 | F4-F378 HydrophobicContact CE1-CE1 4.08Å; F4-F378 HydrophobicContact CZ-CE1 4.15Å; L8-F378 HydrophobicContact CD2-CB 3.98Å; L8-F378 HydrophobicContact CD2-CD1 3.64Å; L8-F378 HydrophobicContact CD2-CE1 4.37Å; L8-F378 HydrophobicContact CD2-CG 3.89Å; S374-F378 WeakPolarHBondContact O-CB 3.2Å; S374-F378 PolarHBondContact O-N 2.87Å; F378-A382 HydrophobicContact CE1-CB 4.48Å; F378-A382 WeakPolarHBondContact O-CB 3.45Å; F378-A382 PolarHBondContact O-N 3.48Å; F378-F414 HydrophobicContact CD2-CE1 4.42Å; F378-F414 HydrophobicContact CD2-CZ 4.03Å; F378-L744 HydrophobicContact CD1-CD1 4.45Å; F378-L744 HydrophobicContact CD1-CD2 4.27Å; F378-L744 HydrophobicContact CE1-CD1 4.4Å; F378-L744 HydrophobicContact CE1-CD2 4.24Å |
| 379 | L | 86.3 | Confident | 89.7 | Confident | 6 Ų | 6 | 14.2 Ų | 14.2 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.3 | -51.9 | 174.7 | 177.6 | 62 | 0 | 0 | 0 | 110.6 | V375 S376 I377 V381 A382 T383 L744 A796 | V375-L379 WeakPolarHBondContact O-CB 3.5Å; V375-L379 PolarHBondContact O-N 2.87Å; S376-L379 WeakPolarHBondContact O-CB 3.5Å; S376-L379 PolarHBondContact O-N 2.97Å; I377-L379 VanDerWaalsContact C-N 3.29Å; I377-L379 PolarHBondContact O-N 3.33Å; L379-V381 PolarHBondContact O-N 3.37Å; L379-A382 PolarHBondContact O-N 2.75Å; L379-T383 HydrophobicContact CD1-CG2 3.88Å; L379-T383 HydrophobicContact CG-CG2 4.45Å; L379-T383 WeakPolarHBondContact O-CB 3.46Å; L379-T383 WeakPolarHBondContact O-CG2 3.36Å; L379-T383 PolarHBondContact O-N 2.86Å; L379-T383 PolarHBondContact O-OG1 3.32Å; L379-L744 HydrophobicContact CB-CD1 4.27Å; L379-L744 HydrophobicContact CD1-CB 4.04Å; L379-L744 HydrophobicContact CD1-CD1 3.33Å; L379-L744 HydrophobicContact CD1-CG 4.29Å; L379-L744 HydrophobicContact CG-CD1 4.36Å; L379-A796 HydrophobicContact CD2-CB 3.74Å; L379-A796 HydrophobicContact CG-CB 4.37Å |
| 380 | T | 88.7 | Confident | 89.7 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | -179.4 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | N345 S376 I377 A382 T383 D384 D793 H797 | N345-T380 PolarHBondContact OD1-OG1 3.42Å; S376-T380 WeakPolarHBondContact O-CG2 3.32Å; S376-T380 PolarHBondContact O-N 2.93Å; S376-T380 VanDerWaalsContact O-N 3.08Å; I377-T380 WeakPolarHBondContact CA-OG1 3.39Å; I377-T380 PolarHBondContact O-N 2.95Å; I377-T380 PolarHBondContact O-OG1 2.86Å; T380-A382 PolarHBondContact O-N 3.48Å; T380-T383 WeakPolarHBondContact CA-OG1 3.31Å; T380-T383 PolarHBondContact O-N 3.33Å; T380-T383 PolarHBondContact O-OG1 3.29Å; T380-D384 WeakPolarHBondContact O-CB 3.47Å; T380-D384 PolarHBondContact O-N 3.5Å; T380-D384 VanDerWaalsContact O-OD2 3.1Å; T380-D793 HydrophobicContact CG2-CB 4.15Å; T380-D793 VanDerWaalsContact CG2-CG 3.45Å; T380-D793 WeakPolarHBondContact CG2-OD2 3.35Å; T380-H797 VanDerWaalsContact CG2-NE2 3.3Å; T380-H797 WeakPolarHBondContact CG2-NE2 3.31Å |
| 381 | V | 92.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 15 Ų | 15 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | I377 L379 T383 A385 I410 F414 | I377-V381 HydrophobicContact CG2-CG2 4.3Å; I377-V381 WeakPolarHBondContact O-CB 3.21Å; I377-V381 WeakPolarHBondContact O-CG2 3.46Å; I377-V381 PolarHBondContact O-N 2.98Å; L379-V381 PolarHBondContact O-N 3.37Å; V381-T383 VanDerWaalsContact C-N 3.32Å; V381-T383 PolarHBondContact O-N 3.07Å; V381-A385 WeakPolarHBondContact O-CB 3.21Å; V381-A385 PolarHBondContact O-N 3.49Å; V381-I410 HydrophobicContact CB-CG2 4.47Å; V381-I410 HydrophobicContact CG1-CG2 3.85Å; V381-F414 HydrophobicContact CB-CB 4.33Å; V381-F414 HydrophobicContact CB-CD2 4.15Å; V381-F414 HydrophobicContact CB-CG 4.19Å; V381-F414 HydrophobicContact CG1-CB 3.61Å; V381-F414 HydrophobicContact CG1-CD1 3.99Å; V381-F414 HydrophobicContact CG1-CD2 4.15Å; V381-F414 HydrophobicContact CG1-CG 3.66Å; V381-F414 HydrophobicContact CG2-CB 3.85Å; V381-F414 HydrophobicContact CG2-CD2 3.64Å; V381-F414 HydrophobicContact CG2-CE2 4.39Å; V381-F414 HydrophobicContact CG2-CG 3.92Å |
| 382 | A | 90.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 16.3 Ų | 16.3 | 16% | 0.157 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F378 L379 T380 L386 L740 | F378-A382 HydrophobicContact CE1-CB 4.48Å; F378-A382 WeakPolarHBondContact O-CB 3.45Å; F378-A382 PolarHBondContact O-N 3.48Å; L379-A382 PolarHBondContact O-N 2.75Å; T380-A382 PolarHBondContact O-N 3.48Å; A382-L386 WeakPolarHBondContact O-CB 3.41Å; A382-L386 VanDerWaalsContact O-CG 3.29Å; A382-L386 WeakPolarHBondContact O-CG 3.39Å; A382-L386 PolarHBondContact O-N 3.43Å; A382-L740 HydrophobicContact CB-CD1 4.17Å |
| 383 | T | 88.8 | Confident | 90 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.4 | -44 | 179.5 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | L379 T380 V381 S387 M737 L740 V792 | L379-T383 HydrophobicContact CD1-CG2 3.88Å; L379-T383 HydrophobicContact CG-CG2 4.45Å; L379-T383 WeakPolarHBondContact O-CB 3.46Å; L379-T383 WeakPolarHBondContact O-CG2 3.36Å; L379-T383 PolarHBondContact O-N 2.86Å; L379-T383 PolarHBondContact O-OG1 3.32Å; T380-T383 WeakPolarHBondContact CA-OG1 3.31Å; T380-T383 PolarHBondContact O-N 3.33Å; T380-T383 PolarHBondContact O-OG1 3.29Å; V381-T383 VanDerWaalsContact C-N 3.32Å; V381-T383 PolarHBondContact O-N 3.07Å; T383-S387 VanDerWaalsContact O-CB 3.31Å; T383-S387 WeakPolarHBondContact O-CB 3.2Å; T383-S387 PolarHBondContact O-N 3.43Å; T383-S387 PolarHBondContact O-OG 2.93Å; T383-M737 VanDerWaalsContact CB-CE 3.45Å; T383-M737 HydrophobicContact CG2-CE 3.08Å; T383-M737 HydrophobicContact CG2-SD 3.77Å; T383-L740 HydrophobicContact CG2-CB 4.47Å; T383-L740 HydrophobicContact CG2-CD1 3.61Å; T383-V792 HydrophobicContact CG2-CG1 4.28Å |
| 384 | D | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 177.4 | -64.5 | -31.8 | 0 | 0 | 0 | 111 | R342 T380 L386 S387 F388 I410 G789 | R342-D384 IonicContact CZ-OD2 2.73Å; R342-D384 IonicContact NH1-OD2 3.23Å; R342-D384 PolarHBondContact NH1-OD2 3.48Å; R342-D384 IonicContact NH2-OD2 3.45Å; R342-D384 PolarHBondContact NH2-OD2 2.87Å; T380-D384 WeakPolarHBondContact O-CB 3.47Å; T380-D384 PolarHBondContact O-N 3.5Å; T380-D384 VanDerWaalsContact O-OD2 3.1Å; D384-L386 VanDerWaalsContact C-N 3.34Å; D384-L386 PolarHBondContact O-N 3.24Å; D384-S387 WeakPolarHBondContact CA-OG 3.13Å; D384-S387 PolarHBondContact O-N 3.15Å; D384-S387 VanDerWaalsContact O-N 3.17Å; D384-S387 PolarHBondContact O-OG 2.86Å; D384-F388 VanDerWaalsContact O-CD2 3.26Å; D384-F388 WeakPolarHBondContact O-CD2 3.31Å; D384-F388 PolarHBondContact O-N 3.44Å; D384-I410 HydrophobicContact CB-CD1 3.68Å; D384-I410 HydrophobicContact CB-CG1 4.34Å; D384-I410 HydrophobicContact CB-CG2 4.14Å; D384-G789 VanDerWaalsContact OD1-CA 3.3Å; D384-G789 WeakPolarHBondContact OD1-CA 3.19Å |
| 385 | A | 92.7 | Very high | 90.2 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 12% | 0.116 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V381 G389 C407 I410 I411 | V381-A385 WeakPolarHBondContact O-CB 3.21Å; V381-A385 PolarHBondContact O-N 3.49Å; A385-G389 WeakPolarHBondContact O-CA 3.44Å; A385-G389 PolarHBondContact O-N 3.05Å; A385-C407 PolarHBondContact O-SG 3.44Å; A385-I410 HydrophobicContact CB-CG2 4.04Å; A385-I411 HydrophobicContact CB-CG1 4.23Å |
| 386 | L | 91.1 | Very high | 90.4 | Very high | 75 Ų | 75 | 21.1 Ų | 21.1 | 39% | 0.393 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 174.8 | -70.9 | -171.7 | 0 | 0 | 0 | 112.2 | A382 D384 G389 V390 L740 | A382-L386 WeakPolarHBondContact O-CB 3.41Å; A382-L386 VanDerWaalsContact O-CG 3.29Å; A382-L386 WeakPolarHBondContact O-CG 3.39Å; A382-L386 PolarHBondContact O-N 3.43Å; D384-L386 VanDerWaalsContact C-N 3.34Å; D384-L386 PolarHBondContact O-N 3.24Å; L386-G389 PolarHBondContact O-N 3.29Å; L386-V390 WeakPolarHBondContact O-CG2 3.45Å; L386-V390 PolarHBondContact O-N 3.42Å; L386-L740 HydrophobicContact CD1-CD1 3.53Å; L386-L740 HydrophobicContact CD1-CD2 4.12Å; L386-L740 HydrophobicContact CD1-CG 3.87Å; L386-L740 HydrophobicContact CG-CD1 4.36Å |
| 387 | S | 89 | Confident | 90.7 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 178.1 | 70.3 | 0 | 0 | 0 | 0 | 111.8 | T383 D384 V390 G391 | T383-S387 VanDerWaalsContact O-CB 3.31Å; T383-S387 WeakPolarHBondContact O-CB 3.2Å; T383-S387 PolarHBondContact O-N 3.43Å; T383-S387 PolarHBondContact O-OG 2.93Å; D384-S387 WeakPolarHBondContact CA-OG 3.13Å; D384-S387 PolarHBondContact O-N 3.15Å; D384-S387 VanDerWaalsContact O-N 3.17Å; D384-S387 PolarHBondContact O-OG 2.86Å; S387-V390 PolarHBondContact O-N 3.38Å; S387-G391 PolarHBondContact O-N 2.85Å |
| 388 | F | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.3 | -32.9 | 173.8 | -73.2 | -70.4 | 0 | 0 | 0 | 112.1 | D384 V390 G391 C392 F402 C403 T406 C407 I410 V785 M786 F790 | D384-F388 VanDerWaalsContact O-CD2 3.26Å; D384-F388 WeakPolarHBondContact O-CD2 3.31Å; D384-F388 PolarHBondContact O-N 3.44Å; F388-V390 VanDerWaalsContact C-N 3.33Å; F388-V390 PolarHBondContact O-N 3.46Å; F388-G391 PolarHBondContact O-N 3.34Å; F388-C392 PolarHBondContact O-N 3.29Å; F388-C392 PolarHBondContact O-SG 3.46Å; F388-F402 AromaticContact CE1-CE1 3.97Å; F388-F402 HydrophobicContact CE1-CE1 3.97Å; F388-C403 VanDerWaalsContact O-CB 3.29Å; F388-C403 WeakPolarHBondContact O-CB 3.26Å; F388-T406 HydrophobicContact CD1-CG2 3.84Å; F388-T406 HydrophobicContact CD2-CG2 3.71Å; F388-T406 HydrophobicContact CE1-CG2 3.72Å; F388-T406 HydrophobicContact CE2-CG2 3.58Å; F388-T406 HydrophobicContact CG-CG2 3.85Å; F388-T406 HydrophobicContact CZ-CG2 3.58Å; F388-C407 HydrophobicContact CB-CB 4.08Å; F388-I410 HydrophobicContact CD2-CD1 3.32Å; F388-I410 HydrophobicContact CE2-CD1 3.7Å; F388-I410 HydrophobicContact CG-CD1 4.33Å; F388-V785 HydrophobicContact CD1-CG1 4.33Å; F388-M786 HydrophobicContact CE1-CB 4.22Å; F388-M786 HydrophobicContact CZ-CB 3.9Å; F388-M786 HydrophobicContact CZ-CG 4.09Å; F388-F790 HydrophobicContact CE2-CE1 4.4Å |
| 389 | G | 92.2 | Very high | 90.9 | Very high | 31 Ų | 31 | 17.8 Ų | 17.8 | 32% | 0.32 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A385 L386 C392 | A385-G389 WeakPolarHBondContact O-CA 3.44Å; A385-G389 PolarHBondContact O-N 3.05Å; L386-G389 PolarHBondContact O-N 3.29Å; G389-C392 WeakPolarHBondContact O-CB 3.28Å; G389-C392 PolarHBondContact O-N 2.92Å |
| 390 | V | 91.3 | Very high | 91.3 | Very high | 15 Ų | 15 | 20.2 Ų | 20.2 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 172.4 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | L386 S387 F388 C392 I393 E729 F732 | L386-V390 WeakPolarHBondContact O-CG2 3.45Å; L386-V390 PolarHBondContact O-N 3.42Å; S387-V390 PolarHBondContact O-N 3.38Å; F388-V390 VanDerWaalsContact C-N 3.33Å; F388-V390 PolarHBondContact O-N 3.46Å; V390-C392 PolarHBondContact O-N 2.93Å; V390-I393 WeakPolarHBondContact O-CB 3.32Å; V390-I393 WeakPolarHBondContact O-CG1 3.24Å; V390-I393 PolarHBondContact O-N 3.2Å; V390-E729 WeakPolarHBondContact CG1-OE2 3.2Å; V390-F732 HydrophobicContact CG1-CB 3.53Å; V390-F732 HydrophobicContact CG2-CB 4.48Å |
| 391 | G | 89.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.4 | -15.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | S387 F388 I393 T394 E729 | S387-G391 PolarHBondContact O-N 2.85Å; F388-G391 PolarHBondContact O-N 3.34Å; G391-I393 PolarHBondContact O-N 3.03Å; G391-T394 WeakPolarHBondContact O-CG2 3.3Å; G391-T394 PolarHBondContact O-OG1 3.42Å; G391-E729 WeakPolarHBondContact CA-OE2 3.4Å; G391-E729 PolarHBondContact N-OE2 3.37Å; G391-E729 VanDerWaalsContact N-OE2 3.17Å |
| 392 | C | 91.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 20 Ų | 20 | 26% | 0.264 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.5 | 171.9 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | F388 G389 V390 T394 | F388-C392 PolarHBondContact O-N 3.29Å; F388-C392 PolarHBondContact O-SG 3.46Å; G389-C392 WeakPolarHBondContact O-CB 3.28Å; G389-C392 PolarHBondContact O-N 2.92Å; V390-C392 PolarHBondContact O-N 2.93Å; C392-T394 VanDerWaalsContact C-N 3.33Å |
| 393 | I | 90.2 | Very high | 91.8 | Very high | 97 Ų | 97 | 19.1 Ų | 19.1 | 50% | 0.497 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10.7 | -178.2 | -58.2 | 172.7 | 0 | 0 | 0 | 111.6 | V390 G391 | V390-I393 WeakPolarHBondContact O-CB 3.32Å; V390-I393 WeakPolarHBondContact O-CG1 3.24Å; V390-I393 PolarHBondContact O-N 3.2Å; G391-I393 PolarHBondContact O-N 3.03Å |
| 394 | T | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -59.8 | 153.5 | 179.3 | 59 | 0 | 0 | 0 | 0 | 113.5 | G391 C392 F396 V399 Q400 N725 E729 M781 | G391-T394 WeakPolarHBondContact O-CG2 3.3Å; G391-T394 PolarHBondContact O-OG1 3.42Å; C392-T394 VanDerWaalsContact C-N 3.33Å; T394-F396 PolarHBondContact O-N 3.27Å; T394-V399 HydrophobicContact CG2-CG1 4.31Å; T394-Q400 WeakPolarHBondContact O-CG 3.18Å; T394-Q400 PolarHBondContact O-NE2 3.48Å; T394-N725 WeakPolarHBondContact CA-OD1 3.24Å; T394-E729 VanDerWaalsContact CG2-CD 3.42Å; T394-E729 HydrophobicContact CG2-CG 3.44Å; T394-E729 VanDerWaalsContact CG2-CG 3.44Å; T394-E729 VanDerWaalsContact CG2-OE1 3.31Å; T394-E729 WeakPolarHBondContact CG2-OE1 3.13Å; T394-M781 HydrophobicContact CG2-CE 3.83Å; T394-M781 HydrophobicContact CG2-SD 4.31Å |
| 395 | D | 91.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 21.1 Ų | 21.1 | 33% | 0.326 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -75 | -1.4 | 177 | -67.1 | -47.7 | 0 | 0 | 0 | 114.4 | P56 V57 N725 | P56-D395 CarbonylContact C-O 3.59Å; P56-D395 VanDerWaalsContact CA-O 3.31Å; P56-D395 WeakPolarHBondContact CA-O 3.19Å; P56-D395 HydrophobicContact CB-CB 4.1Å; V57-D395 WeakPolarHBondContact CG2-O 3.14Å; V57-D395 PolarHBondContact N-O 3.44Å; D395-N725 PolarHBondContact N-OD1 2.96Å; D395-N725 PolarHBondContact OD2-ND2 2.89Å; D395-N725 PolarHBondContact OD2-OD1 3.34Å |
| 396 | F | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -107 | 113.3 | -169.5 | -70.3 | -83.7 | 0 | 0 | 0 | 112 | Y54 T394 A398 V399 Q400 Q718 A721 I722 N725 T778 M781 | Y54-F396 WeakPolarHBondContact O-CE1 3.48Å; T394-F396 PolarHBondContact O-N 3.27Å; F396-A398 VanDerWaalsContact C-N 3.27Å; F396-A398 PolarHBondContact O-N 2.83Å; F396-V399 HydrophobicContact CB-CB 4.33Å; F396-V399 HydrophobicContact CB-CG2 4.1Å; F396-V399 PolarHBondContact O-N 2.84Å; F396-Q400 WeakPolarHBondContact O-CG 3.34Å; F396-Q400 PolarHBondContact O-N 2.76Å; F396-Q718 HydrophobicContact CE1-CB 4.37Å; F396-Q718 HydrophobicContact CE1-CG 3.85Å; F396-Q718 HydrophobicContact CZ-CG 4.22Å; F396-A721 HydrophobicContact CE2-CB 4.08Å; F396-A721 HydrophobicContact CZ-CB 3.78Å; F396-I722 HydrophobicContact CE1-CG1 4.48Å; F396-I722 HydrophobicContact CE2-CG1 4.21Å; F396-I722 HydrophobicContact CZ-CG1 3.74Å; F396-N725 HydrophobicContact CE2-CB 4.49Å; F396-T778 HydrophobicContact CB-CG2 4.04Å; F396-T778 HydrophobicContact CD1-CG2 3.98Å; F396-T778 HydrophobicContact CG-CG2 4.08Å; F396-M781 HydrophobicContact CB-CE 3.84Å; F396-M781 HydrophobicContact CD2-CE 3.47Å; F396-M781 VanDerWaalsContact CD2-CE 3.47Å; F396-M781 HydrophobicContact CD2-SD 4.21Å; F396-M781 HydrophobicContact CE2-CE 4.32Å; F396-M781 HydrophobicContact CG-CE 3.92Å | ||
| 397 | P | 93.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -35 | -177.1 | -28.9 | 38.6 | 0 | 0 | 0 | 114 | Y52 V57 V399 Q400 I401 | Y52-P397 HydrophobicContact CD1-CB 4.24Å; Y52-P397 HydrophobicContact CE1-CB 3.79Å; Y52-P397 HydrophobicContact CE1-CG 4.24Å; Y52-P397 WeakPolarHBondContact O-CG 3.16Å; V57-P397 HydrophobicContact CG2-CG 3.57Å; P397-V399 VanDerWaalsContact C-N 3.26Å; P397-V399 PolarHBondContact O-N 2.71Å; P397-Q400 PolarHBondContact O-N 3.26Å; P397-I401 WeakPolarHBondContact O-CB 3.36Å; P397-I401 WeakPolarHBondContact O-CD1 3.49Å; P397-I401 WeakPolarHBondContact O-CG1 3.45Å; P397-I401 PolarHBondContact O-N 2.85Å |
| 398 | A | 91.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L53 Y54 N328 F396 F402 T778 | L53-A398 HydrophobicContact CB-CB 4.19Å; L53-A398 WeakPolarHBondContact O-CB 3.1Å; L53-A398 PolarHBondContact O-N 3.29Å; Y54-A398 HydrophobicContact CD1-CB 4.29Å; Y54-A398 HydrophobicContact CE1-CB 4.23Å; N328-A398 PolarHBondContact ND2-O 3.29Å; F396-A398 VanDerWaalsContact C-N 3.27Å; F396-A398 PolarHBondContact O-N 2.83Å; A398-F402 WeakPolarHBondContact O-CB 3.45Å; A398-F402 PolarHBondContact O-N 3.2Å; A398-F402 VanDerWaalsContact O-N 3.1Å; A398-T778 HydrophobicContact CB-CG2 4.39Å |
| 399 | V | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -77.5 | -44.1 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | T394 F396 P397 I401 F402 C403 T778 M781 I782 | T394-V399 HydrophobicContact CG2-CG1 4.31Å; F396-V399 HydrophobicContact CB-CB 4.33Å; F396-V399 HydrophobicContact CB-CG2 4.1Å; F396-V399 PolarHBondContact O-N 2.84Å; P397-V399 VanDerWaalsContact C-N 3.26Å; P397-V399 PolarHBondContact O-N 2.71Å; V399-I401 VanDerWaalsContact C-N 3.3Å; V399-I401 PolarHBondContact O-N 3.45Å; V399-F402 PolarHBondContact O-N 2.93Å; V399-C403 VanDerWaalsContact O-CB 3.27Å; V399-C403 WeakPolarHBondContact O-CB 3.42Å; V399-C403 PolarHBondContact O-N 2.89Å; V399-C403 PolarHBondContact O-SG 3.45Å; V399-C403 VanDerWaalsContact O-SG 3.36Å; V399-T778 HydrophobicContact CG2-CG2 3.69Å; V399-M781 HydrophobicContact CB-CE 3.65Å; V399-M781 HydrophobicContact CG1-CE 3.87Å; V399-M781 HydrophobicContact CG2-CE 3.21Å; V399-I782 HydrophobicContact CB-CG1 4.15Å; V399-I782 HydrophobicContact CG1-CG1 4.06Å; V399-I782 HydrophobicContact CG2-CD1 4.06Å; V399-I782 HydrophobicContact CG2-CG1 3.51Å |
| 400 | Q | 94.4 | Very high | 93.3 | Very high | 58 Ų | 58 | 17.4 Ų | 17.4 | 27% | 0.271 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -53.1 | -49.2 | 173.7 | -66.4 | 179 | -12.8 | 0 | 0 | 111.4 | T394 F396 P397 C403 V404 | T394-Q400 WeakPolarHBondContact O-CG 3.18Å; T394-Q400 PolarHBondContact O-NE2 3.48Å; F396-Q400 WeakPolarHBondContact O-CG 3.34Å; F396-Q400 PolarHBondContact O-N 2.76Å; P397-Q400 PolarHBondContact O-N 3.26Å; Q400-C403 PolarHBondContact O-N 3.39Å; Q400-V404 WeakPolarHBondContact O-CG2 3.48Å; Q400-V404 PolarHBondContact O-N 2.8Å |
| 401 | I | 94.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 179.7 | -67.4 | 167.2 | 0 | 0 | 0 | 110.4 | L53 F325 P326 N328 V331 P397 V399 C403 V404 Y405 | L53-I401 HydrophobicContact CD2-CD1 4.06Å; F325-I401 HydrophobicContact CE1-CB 4.22Å; F325-I401 HydrophobicContact CE1-CG1 3.93Å; F325-I401 HydrophobicContact CE1-CG2 4.22Å; F325-I401 HydrophobicContact CZ-CG1 4.39Å; P326-I401 HydrophobicContact CB-CD1 4.46Å; P326-I401 HydrophobicContact CG-CD1 4.12Å; P326-I401 HydrophobicContact CG-CG1 4.31Å; P326-I401 VanDerWaalsContact O-CG2 3.32Å; P326-I401 WeakPolarHBondContact O-CG2 3.36Å; N328-I401 HydrophobicContact CB-CD1 4.43Å; N328-I401 HydrophobicContact CB-CG2 4.3Å; V331-I401 HydrophobicContact CG2-CG2 3.92Å; P397-I401 WeakPolarHBondContact O-CB 3.36Å; P397-I401 WeakPolarHBondContact O-CD1 3.49Å; P397-I401 WeakPolarHBondContact O-CG1 3.45Å; P397-I401 PolarHBondContact O-N 2.85Å; V399-I401 VanDerWaalsContact C-N 3.3Å; V399-I401 PolarHBondContact O-N 3.45Å; I401-C403 VanDerWaalsContact C-N 3.31Å; I401-C403 PolarHBondContact O-N 3Å; I401-V404 PolarHBondContact O-N 2.77Å; I401-Y405 HydrophobicContact CG2-CD2 3.94Å; I401-Y405 HydrophobicContact CG2-CE2 3.98Å; I401-Y405 WeakPolarHBondContact O-CD2 3.4Å; I401-Y405 PolarHBondContact O-N 2.75Å; I401-Y405 VanDerWaalsContact O-N 3.15Å |
| 402 | F | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 177.7 | -177.2 | -85.4 | 0 | 0 | 0 | 112 | V330 M334 F388 A398 V399 Y405 T406 I782 | V330-F402 HydrophobicContact CG1-CD2 4.22Å; M334-F402 HydrophobicContact CB-CE2 3.94Å; M334-F402 HydrophobicContact CB-CZ 4.28Å; F388-F402 AromaticContact CE1-CE1 3.97Å; F388-F402 HydrophobicContact CE1-CE1 3.97Å; A398-F402 WeakPolarHBondContact O-CB 3.45Å; A398-F402 PolarHBondContact O-N 3.2Å; A398-F402 VanDerWaalsContact O-N 3.1Å; V399-F402 PolarHBondContact O-N 2.93Å; F402-Y405 PolarHBondContact O-N 3.45Å; F402-T406 WeakPolarHBondContact CD1-OG1 3.29Å; F402-T406 HydrophobicContact CE1-CG2 4.49Å; F402-T406 VanDerWaalsContact CE1-OG1 3.25Å; F402-T406 WeakPolarHBondContact CE1-OG1 3.49Å; F402-T406 VanDerWaalsContact O-CB 3.3Å; F402-T406 WeakPolarHBondContact O-CB 3.24Å; F402-T406 PolarHBondContact O-N 2.9Å; F402-T406 PolarHBondContact O-OG1 3.35Å; F402-I782 HydrophobicContact CB-CD1 4.18Å; F402-I782 HydrophobicContact CD1-CG2 3.32Å; F402-I782 HydrophobicContact CD2-CG2 4.24Å; F402-I782 HydrophobicContact CE1-CG2 3.26Å; F402-I782 HydrophobicContact CE2-CG2 4.18Å; F402-I782 HydrophobicContact CG-CD1 4.2Å; F402-I782 HydrophobicContact CG-CG2 3.84Å; F402-I782 HydrophobicContact CZ-CG2 3.72Å |
| 403 | C | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.9 | -40.9 | -179.5 | -77.7 | 0 | 0 | 0 | 0 | 112.9 | F388 V399 Q400 I401 T406 C407 | F388-C403 VanDerWaalsContact O-CB 3.29Å; F388-C403 WeakPolarHBondContact O-CB 3.26Å; V399-C403 VanDerWaalsContact O-CB 3.27Å; V399-C403 WeakPolarHBondContact O-CB 3.42Å; V399-C403 PolarHBondContact O-N 2.89Å; V399-C403 PolarHBondContact O-SG 3.45Å; V399-C403 VanDerWaalsContact O-SG 3.36Å; Q400-C403 PolarHBondContact O-N 3.39Å; I401-C403 VanDerWaalsContact C-N 3.31Å; I401-C403 PolarHBondContact O-N 3Å; C403-T406 PolarHBondContact O-N 2.96Å; C403-C407 WeakPolarHBondContact O-CB 3.11Å; C403-C407 PolarHBondContact O-N 3.06Å |
| 404 | V | 95.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 16.5 Ų | 16.5 | 26% | 0.255 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | T320 F325 Q400 I401 T406 S408 | T320-V404 HydrophobicContact CG2-CG1 4.41Å; F325-V404 HydrophobicContact CD1-CB 4.49Å; F325-V404 HydrophobicContact CD1-CG1 4.02Å; F325-V404 HydrophobicContact CD2-CG1 4.31Å; F325-V404 HydrophobicContact CE1-CB 3.86Å; F325-V404 HydrophobicContact CE1-CG1 3.84Å; F325-V404 HydrophobicContact CE1-CG2 4.23Å; F325-V404 HydrophobicContact CE2-CG1 4.14Å; F325-V404 HydrophobicContact CE2-CG2 4.24Å; F325-V404 HydrophobicContact CG-CG1 4.26Å; F325-V404 HydrophobicContact CZ-CB 3.87Å; F325-V404 HydrophobicContact CZ-CG1 3.9Å; F325-V404 HydrophobicContact CZ-CG2 3.72Å; Q400-V404 WeakPolarHBondContact O-CG2 3.48Å; Q400-V404 PolarHBondContact O-N 2.8Å; I401-V404 PolarHBondContact O-N 2.77Å; V404-T406 VanDerWaalsContact C-N 3.32Å; V404-T406 PolarHBondContact O-N 3.04Å; V404-S408 WeakPolarHBondContact O-CB 3.24Å; V404-S408 PolarHBondContact O-N 3.41Å; V404-S408 PolarHBondContact O-OG 2.93Å |
| 405 | Y | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.2 | -86.7 | -92.7 | 0 | 0 | 0 | 112.1 | M317 T320 F325 P326 Y327 V331 I401 F402 S408 A409 | M317-Y405 HydrophobicContact CG-CD1 4.23Å; T320-Y405 HydrophobicContact CG2-CD1 3.98Å; T320-Y405 HydrophobicContact CG2-CD2 4.05Å; T320-Y405 HydrophobicContact CG2-CE1 3.68Å; T320-Y405 HydrophobicContact CG2-CE2 3.75Å; T320-Y405 HydrophobicContact CG2-CG 4.16Å; F325-Y405 HydrophobicContact CD1-CD2 4.29Å; F325-Y405 AromaticContact CD1-CE2 3.79Å; F325-Y405 HydrophobicContact CD1-CE2 3.79Å; F325-Y405 HydrophobicContact CE1-CE2 4.37Å; F325-Y405 PolarHBondContact O-OH 3.25Å; P326-Y405 WeakPolarHBondContact O-CE2 3.3Å; Y327-Y405 HydrophobicContact CD2-CE1 4.24Å; V331-Y405 HydrophobicContact CG1-CD1 3.89Å; V331-Y405 HydrophobicContact CG1-CD2 4.34Å; V331-Y405 HydrophobicContact CG1-CG 3.8Å; V331-Y405 HydrophobicContact CG2-CD2 3.91Å; V331-Y405 HydrophobicContact CG2-CG 4.1Å; I401-Y405 HydrophobicContact CG2-CD2 3.94Å; I401-Y405 HydrophobicContact CG2-CE2 3.98Å; I401-Y405 WeakPolarHBondContact O-CD2 3.4Å; I401-Y405 PolarHBondContact O-N 2.75Å; I401-Y405 VanDerWaalsContact O-N 3.15Å; F402-Y405 PolarHBondContact O-N 3.45Å; Y405-S408 PolarHBondContact O-OG 3.37Å; Y405-A409 VanDerWaalsContact O-CB 3.26Å; Y405-A409 WeakPolarHBondContact O-CB 3.39Å; Y405-A409 PolarHBondContact O-N 2.77Å |
| 406 | T | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.6 | -43.2 | -178.8 | -54 | 0 | 0 | 0 | 0 | 111.4 | M334 I338 F388 F402 C403 V404 A409 I410 | M334-T406 HydrophobicContact CG-CG2 4.36Å; M334-T406 WeakPolarHBondContact CG-OG1 3.46Å; I338-T406 HydrophobicContact CD1-CG2 3.46Å; I338-T406 VanDerWaalsContact CD1-CG2 3.46Å; I338-T406 HydrophobicContact CG1-CG2 4.03Å; F388-T406 HydrophobicContact CD1-CG2 3.84Å; F388-T406 HydrophobicContact CD2-CG2 3.71Å; F388-T406 HydrophobicContact CE1-CG2 3.72Å; F388-T406 HydrophobicContact CE2-CG2 3.58Å; F388-T406 HydrophobicContact CG-CG2 3.85Å; F388-T406 HydrophobicContact CZ-CG2 3.58Å; F402-T406 WeakPolarHBondContact CD1-OG1 3.29Å; F402-T406 HydrophobicContact CE1-CG2 4.49Å; F402-T406 VanDerWaalsContact CE1-OG1 3.25Å; F402-T406 WeakPolarHBondContact CE1-OG1 3.49Å; F402-T406 VanDerWaalsContact O-CB 3.3Å; F402-T406 WeakPolarHBondContact O-CB 3.24Å; F402-T406 PolarHBondContact O-N 2.9Å; F402-T406 PolarHBondContact O-OG1 3.35Å; C403-T406 PolarHBondContact O-N 2.96Å; V404-T406 VanDerWaalsContact C-N 3.32Å; V404-T406 PolarHBondContact O-N 3.04Å; T406-A409 WeakPolarHBondContact O-CB 3.14Å; T406-A409 PolarHBondContact O-N 3.42Å; T406-I410 HydrophobicContact CG2-CD1 4.02Å; T406-I410 WeakPolarHBondContact O-CD1 3.43Å; T406-I410 VanDerWaalsContact O-CG1 3.31Å; T406-I410 WeakPolarHBondContact O-CG1 3.41Å; T406-I410 PolarHBondContact O-N 3.32Å |
| 407 | C | 95 | Very high | 94.6 | Very high | 24 Ų | 24 | 19 Ų | 19 | 16% | 0.162 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.9 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | A385 F388 C403 A409 I410 I411 | A385-C407 PolarHBondContact O-SG 3.44Å; F388-C407 HydrophobicContact CB-CB 4.08Å; C403-C407 WeakPolarHBondContact O-CB 3.11Å; C403-C407 PolarHBondContact O-N 3.06Å; C407-A409 VanDerWaalsContact C-N 3.34Å; C407-A409 PolarHBondContact O-N 2.59Å; C407-I410 PolarHBondContact O-N 3.48Å; C407-I411 WeakPolarHBondContact O-CG1 3.46Å; C407-I411 PolarHBondContact O-N 3.39Å; C407-I411 VanDerWaalsContact O-N 3.09Å |
| 408 | S | 95.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 21 Ų | 21 | 15% | 0.154 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 174.7 | 79.9 | 0 | 0 | 0 | 0 | 111.6 | T320 V404 Y405 I410 I411 V412 | T320-S408 PolarHBondContact OG1-OG 3.19Å; V404-S408 WeakPolarHBondContact O-CB 3.24Å; V404-S408 PolarHBondContact O-N 3.41Å; V404-S408 PolarHBondContact O-OG 2.93Å; Y405-S408 PolarHBondContact O-OG 3.37Å; S408-I410 PolarHBondContact O-N 3.32Å; S408-I411 PolarHBondContact O-N 3.43Å; S408-V412 WeakPolarHBondContact O-CB 3.43Å; S408-V412 VanDerWaalsContact O-CG2 3.27Å; S408-V412 WeakPolarHBondContact O-CG2 3.37Å; S408-V412 PolarHBondContact O-N 3.1Å |
| 409 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S316 M334 I338 Y405 T406 C407 T413 | S316-A409 VanDerWaalsContact CB-CA 3.46Å; S316-A409 WeakPolarHBondContact OG-CA 3.28Å; S316-A409 VanDerWaalsContact OG-CB 3.29Å; S316-A409 WeakPolarHBondContact OG-CB 3.48Å; M334-A409 HydrophobicContact CE-CB 4.15Å; M334-A409 HydrophobicContact SD-CB 3.93Å; I338-A409 HydrophobicContact CG2-CB 4.17Å; Y405-A409 VanDerWaalsContact O-CB 3.26Å; Y405-A409 WeakPolarHBondContact O-CB 3.39Å; Y405-A409 PolarHBondContact O-N 2.77Å; T406-A409 WeakPolarHBondContact O-CB 3.14Å; T406-A409 PolarHBondContact O-N 3.42Å; C407-A409 VanDerWaalsContact C-N 3.34Å; C407-A409 PolarHBondContact O-N 2.59Å; A409-T413 VanDerWaalsContact O-CB 3.24Å; A409-T413 WeakPolarHBondContact O-CB 3.3Å; A409-T413 WeakPolarHBondContact O-CG2 3.44Å; A409-T413 PolarHBondContact O-N 3.14Å; A409-T413 PolarHBondContact O-OG1 3.35Å |
| 410 | I | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.6 | -71.5 | 156.8 | 0 | 0 | 0 | 111.1 | I338 V381 D384 A385 F388 T406 C407 S408 T413 F414 | I338-I410 HydrophobicContact CD1-CD1 4.37Å; I338-I410 HydrophobicContact CD1-CG1 4.09Å; V381-I410 HydrophobicContact CB-CG2 4.47Å; V381-I410 HydrophobicContact CG1-CG2 3.85Å; D384-I410 HydrophobicContact CB-CD1 3.68Å; D384-I410 HydrophobicContact CB-CG1 4.34Å; D384-I410 HydrophobicContact CB-CG2 4.14Å; A385-I410 HydrophobicContact CB-CG2 4.04Å; F388-I410 HydrophobicContact CD2-CD1 3.32Å; F388-I410 HydrophobicContact CE2-CD1 3.7Å; F388-I410 HydrophobicContact CG-CD1 4.33Å; T406-I410 HydrophobicContact CG2-CD1 4.02Å; T406-I410 WeakPolarHBondContact O-CD1 3.43Å; T406-I410 VanDerWaalsContact O-CG1 3.31Å; T406-I410 WeakPolarHBondContact O-CG1 3.41Å; T406-I410 PolarHBondContact O-N 3.32Å; C407-I410 PolarHBondContact O-N 3.48Å; S408-I410 PolarHBondContact O-N 3.32Å; I410-T413 WeakPolarHBondContact CA-OG1 3.45Å; I410-T413 PolarHBondContact O-OG1 3.2Å; I410-T413 VanDerWaalsContact O-OG1 3.05Å; I410-F414 WeakPolarHBondContact O-CB 3.33Å; I410-F414 PolarHBondContact O-N 3.09Å |
| 411 | I | 95.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 20.4 Ų | 20.4 | 41% | 0.41 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -66.1 | -46.1 | -179.3 | -66 | 168.4 | 0 | 0 | 0 | 110.9 | A385 C407 S408 F414 I415 | A385-I411 HydrophobicContact CB-CG1 4.23Å; C407-I411 WeakPolarHBondContact O-CG1 3.46Å; C407-I411 PolarHBondContact O-N 3.39Å; C407-I411 VanDerWaalsContact O-N 3.09Å; S408-I411 PolarHBondContact O-N 3.43Å; I411-F414 WeakPolarHBondContact O-CB 3.42Å; I411-F414 PolarHBondContact O-N 2.84Å; I411-I415 WeakPolarHBondContact O-CG1 3.31Å; I411-I415 PolarHBondContact O-N 3.32Å; I411-I415 VanDerWaalsContact O-N 3.14Å |
| 412 | V | 96.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 20.3 Ų | 20.3 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | G312 L319 S408 F414 I415 Y416 | G312-V412 WeakPolarHBondContact O-CG1 3.41Å; L319-V412 HydrophobicContact CD2-CG2 4.33Å; S408-V412 WeakPolarHBondContact O-CB 3.43Å; S408-V412 VanDerWaalsContact O-CG2 3.27Å; S408-V412 WeakPolarHBondContact O-CG2 3.37Å; S408-V412 PolarHBondContact O-N 3.1Å; V412-F414 PolarHBondContact O-N 2.91Å; V412-I415 WeakPolarHBondContact O-CA 3.25Å; V412-I415 WeakPolarHBondContact O-CB 3.35Å; V412-I415 PolarHBondContact O-N 3.08Å; V412-Y416 HydrophobicContact CG1-CD2 3.91Å; V412-Y416 HydrophobicContact CG1-CE2 3.7Å; V412-Y416 VanDerWaalsContact O-CD2 3.29Å; V412-Y416 WeakPolarHBondContact O-CD2 3.5Å; V412-Y416 PolarHBondContact O-N 3.24Å |
| 413 | T | 95.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 177 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | V313 I338 A409 I410 Y416 Q417 | V313-T413 HydrophobicContact CG2-CG2 3.9Å; I338-T413 HydrophobicContact CG2-CG2 4.32Å; A409-T413 VanDerWaalsContact O-CB 3.24Å; A409-T413 WeakPolarHBondContact O-CB 3.3Å; A409-T413 WeakPolarHBondContact O-CG2 3.44Å; A409-T413 PolarHBondContact O-N 3.14Å; A409-T413 PolarHBondContact O-OG1 3.35Å; I410-T413 WeakPolarHBondContact CA-OG1 3.45Å; I410-T413 PolarHBondContact O-OG1 3.2Å; I410-T413 VanDerWaalsContact O-OG1 3.05Å; T413-Y416 CarbonylContact O-C 3.49Å; T413-Y416 WeakPolarHBondContact O-CB 3.46Å; T413-Y416 PolarHBondContact O-N 2.72Å; T413-Q417 WeakPolarHBondContact O-CG 3.21Å; T413-Q417 PolarHBondContact O-N 3.37Å |
| 414 | F | 95.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 21.9 Ų | 21.9 | 15% | 0.145 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 171.1 | 174.9 | -120.7 | 0 | 0 | 0 | 112.9 | I377 F378 V381 I410 I411 V412 Y416 Q417 L418 | I377-F414 HydrophobicContact CG2-CD2 4.04Å; I377-F414 HydrophobicContact CG2-CE2 3.95Å; F378-F414 HydrophobicContact CD2-CE1 4.42Å; F378-F414 HydrophobicContact CD2-CZ 4.03Å; V381-F414 HydrophobicContact CB-CB 4.33Å; V381-F414 HydrophobicContact CB-CD2 4.15Å; V381-F414 HydrophobicContact CB-CG 4.19Å; V381-F414 HydrophobicContact CG1-CB 3.61Å; V381-F414 HydrophobicContact CG1-CD1 3.99Å; V381-F414 HydrophobicContact CG1-CD2 4.15Å; V381-F414 HydrophobicContact CG1-CG 3.66Å; V381-F414 HydrophobicContact CG2-CB 3.85Å; V381-F414 HydrophobicContact CG2-CD2 3.64Å; V381-F414 HydrophobicContact CG2-CE2 4.39Å; V381-F414 HydrophobicContact CG2-CG 3.92Å; I410-F414 WeakPolarHBondContact O-CB 3.33Å; I410-F414 PolarHBondContact O-N 3.09Å; I411-F414 WeakPolarHBondContact O-CB 3.42Å; I411-F414 PolarHBondContact O-N 2.84Å; V412-F414 PolarHBondContact O-N 2.91Å; F414-Y416 VanDerWaalsContact C-N 3.27Å; F414-Y416 PolarHBondContact O-N 3.21Å; F414-Q417 WeakPolarHBondContact O-CB 3.21Å; F414-Q417 PolarHBondContact O-N 3.3Å; F414-Q417 VanDerWaalsContact O-N 3.08Å; F414-L418 HydrophobicContact CD1-CD1 4.25Å; F414-L418 HydrophobicContact CD2-CG 4.24Å; F414-L418 HydrophobicContact CE1-CD1 3.63Å; F414-L418 HydrophobicContact CE1-CG 4.27Å; F414-L418 HydrophobicContact CE2-CD1 4.06Å; F414-L418 HydrophobicContact CE2-CD2 3.87Å; F414-L418 HydrophobicContact CE2-CG 3.83Å; F414-L418 HydrophobicContact CZ-CD1 3.54Å; F414-L418 HydrophobicContact CZ-CD2 4.01Å; F414-L418 HydrophobicContact CZ-CG 3.86Å; F414-L418 PolarHBondContact O-N 3.03Å |
| 415 | I | 94.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 20 Ų | 20 | 46% | 0.456 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 173.6 | -64.3 | 167 | 0 | 0 | 0 | 110.5 | I411 V412 L418 T419 | I411-I415 WeakPolarHBondContact O-CG1 3.31Å; I411-I415 PolarHBondContact O-N 3.32Å; I411-I415 VanDerWaalsContact O-N 3.14Å; V412-I415 WeakPolarHBondContact O-CA 3.25Å; V412-I415 WeakPolarHBondContact O-CB 3.35Å; V412-I415 PolarHBondContact O-N 3.08Å; I415-L418 PolarHBondContact O-N 3.12Å; I415-T419 HydrophobicContact CG2-CG2 4.49Å; I415-T419 WeakPolarHBondContact O-CB 3.31Å; I415-T419 WeakPolarHBondContact O-CG2 3.39Å; I415-T419 PolarHBondContact O-N 2.82Å; I415-T419 PolarHBondContact O-OG1 2.98Å |
| 416 | Y | 95 | Very high | 94 | Very high | 13 Ų | 13 | 20 Ų | 20 | 5% | 0.051 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -34.8 | 173.7 | -82.1 | -90.8 | 0 | 0 | 0 | 113 | P30 G34 L311 S315 V412 T413 F414 F420 L421 | P30-Y416 HydrophobicContact CB-CD1 3.8Å; P30-Y416 HydrophobicContact CB-CE1 3.56Å; P30-Y416 WeakPolarHBondContact O-CE1 3.48Å; P30-Y416 PolarHBondContact O-OH 3.08Å; G34-Y416 WeakPolarHBondContact CA-OH 3.33Å; G34-Y416 PolarHBondContact N-OH 2.97Å; G34-Y416 VanDerWaalsContact N-OH 3.13Å; L311-Y416 HydrophobicContact CB-CE1 4.32Å; L311-Y416 HydrophobicContact CD2-CD1 4.37Å; L311-Y416 HydrophobicContact CD2-CE1 3.58Å; L311-Y416 HydrophobicContact CG-CE1 3.77Å; S315-Y416 PolarHBondContact OG-OH 3.43Å; V412-Y416 HydrophobicContact CG1-CD2 3.91Å; V412-Y416 HydrophobicContact CG1-CE2 3.7Å; V412-Y416 VanDerWaalsContact O-CD2 3.29Å; V412-Y416 WeakPolarHBondContact O-CD2 3.5Å; V412-Y416 PolarHBondContact O-N 3.24Å; T413-Y416 CarbonylContact O-C 3.49Å; T413-Y416 WeakPolarHBondContact O-CB 3.46Å; T413-Y416 PolarHBondContact O-N 2.72Å; F414-Y416 VanDerWaalsContact C-N 3.27Å; F414-Y416 PolarHBondContact O-N 3.21Å; Y416-F420 HydrophobicContact CD1-CB 4.34Å; Y416-F420 WeakPolarHBondContact O-CA 3.4Å; Y416-F420 VanDerWaalsContact O-CB 3.3Å; Y416-F420 WeakPolarHBondContact O-CB 3.25Å; Y416-F420 PolarHBondContact O-N 3.44Å; Y416-L421 PolarHBondContact O-N 3.23Å; Y416-L421 VanDerWaalsContact O-N 3.17Å |
| 417 | Q | 92.7 | Very high | 93.8 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -65.3 | -46.5 | 173.9 | -71 | 171.6 | -8.1 | 0 | 0 | 111.2 | R342 N345 T413 F414 T419 L421 F422 | R342-Q417 PolarHBondContact O-NE2 2.8Å; N345-Q417 PolarHBondContact ND2-NE2 3.45Å; T413-Q417 WeakPolarHBondContact O-CG 3.21Å; T413-Q417 PolarHBondContact O-N 3.37Å; F414-Q417 WeakPolarHBondContact O-CB 3.21Å; F414-Q417 PolarHBondContact O-N 3.3Å; F414-Q417 VanDerWaalsContact O-N 3.08Å; Q417-T419 VanDerWaalsContact C-N 3.28Å; Q417-T419 PolarHBondContact O-N 2.96Å; Q417-L421 HydrophobicContact CG-CD2 4.44Å; Q417-L421 WeakPolarHBondContact O-CB 3.35Å; Q417-F422 WeakPolarHBondContact O-CD1 3.37Å; Q417-F422 PolarHBondContact O-N 3.48Å |
| 418 | L | 92.4 | Very high | 93.3 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 23% | 0.225 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -65.5 | -30.1 | 178.7 | -67.3 | -176.1 | 0 | 0 | 0 | 113.3 | Y15 F414 I415 F422 | Y15-L418 HydrophobicContact CE1-CB 4.34Å; Y15-L418 WeakPolarHBondContact CE1-O 3.33Å; Y15-L418 PolarHBondContact OH-O 2.87Å; F414-L418 HydrophobicContact CD1-CD1 4.25Å; F414-L418 HydrophobicContact CD2-CG 4.24Å; F414-L418 HydrophobicContact CE1-CD1 3.63Å; F414-L418 HydrophobicContact CE1-CG 4.27Å; F414-L418 HydrophobicContact CE2-CD1 4.06Å; F414-L418 HydrophobicContact CE2-CD2 3.87Å; F414-L418 HydrophobicContact CE2-CG 3.83Å; F414-L418 HydrophobicContact CZ-CD1 3.54Å; F414-L418 HydrophobicContact CZ-CD2 4.01Å; F414-L418 HydrophobicContact CZ-CG 3.86Å; F414-L418 PolarHBondContact O-N 3.03Å; I415-L418 PolarHBondContact O-N 3.12Å; L418-F422 HydrophobicContact CD2-CE1 4.35Å; L418-F422 HydrophobicContact CD2-CE2 3.67Å; L418-F422 HydrophobicContact CD2-CZ 3.57Å; L418-F422 WeakPolarHBondContact O-CB 3.43Å; L418-F422 WeakPolarHBondContact O-CD2 3.35Å; L418-F422 WeakPolarHBondContact O-CG 3.35Å |
| 419 | T | 93.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 15% | 0.153 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -98.5 | -74.6 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | F26 P30 I415 Q417 G423 | F26-T419 HydrophobicContact CD1-CG2 4.2Å; F26-T419 CarbonylContact O-C 3.58Å; F26-T419 VanDerWaalsContact O-C 3.31Å; P30-T419 HydrophobicContact CG-CG2 4.47Å; P30-T419 VanDerWaalsContact CG-OG1 3.24Å; P30-T419 WeakPolarHBondContact CG-OG1 3.08Å; I415-T419 HydrophobicContact CG2-CG2 4.49Å; I415-T419 WeakPolarHBondContact O-CB 3.31Å; I415-T419 WeakPolarHBondContact O-CG2 3.39Å; I415-T419 PolarHBondContact O-N 2.82Å; I415-T419 PolarHBondContact O-OG1 2.98Å; Q417-T419 VanDerWaalsContact C-N 3.28Å; Q417-T419 PolarHBondContact O-N 2.96Å; T419-G423 PolarHBondContact O-N 3.29Å |
| 420 | F | 94.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -63.3 | -52.2 | -173.3 | -175.8 | -110.1 | 0 | 0 | 0 | 112.5 | F26 V27 P30 L31 G304 Y416 G423 L424 | F26-F420 WeakPolarHBondContact O-CA 3.35Å; F26-F420 PolarHBondContact O-N 3.3Å; V27-F420 HydrophobicContact CG1-CD2 4.13Å; V27-F420 HydrophobicContact CG1-CE2 3.84Å; P30-F420 HydrophobicContact CB-CB 4.18Å; P30-F420 HydrophobicContact CG-CB 4.32Å; L31-F420 HydrophobicContact CD1-CE2 4.05Å; L31-F420 HydrophobicContact CD2-CD2 4.44Å; L31-F420 HydrophobicContact CD2-CE2 3.78Å; L31-F420 HydrophobicContact CD2-CZ 4.19Å; L31-F420 HydrophobicContact CG-CD2 4.27Å; L31-F420 HydrophobicContact CG-CE2 3.83Å; G304-F420 VanDerWaalsContact O-CE1 3.27Å; G304-F420 WeakPolarHBondContact O-CE1 3.32Å; Y416-F420 HydrophobicContact CD1-CB 4.34Å; Y416-F420 WeakPolarHBondContact O-CA 3.4Å; Y416-F420 VanDerWaalsContact O-CB 3.3Å; Y416-F420 WeakPolarHBondContact O-CB 3.25Å; Y416-F420 PolarHBondContact O-N 3.44Å; F420-G423 PolarHBondContact O-N 3.13Å; F420-L424 HydrophobicContact CD1-CD1 4.08Å; F420-L424 HydrophobicContact CE1-CD1 3.63Å; F420-L424 HydrophobicContact CE2-CD1 4.42Å; F420-L424 HydrophobicContact CZ-CD1 3.82Å; F420-L424 HydrophobicContact CZ-CG 4.49Å; F420-L424 WeakPolarHBondContact O-CG 3.32Å; F420-L424 PolarHBondContact O-N 2.98Å |
| 421 | L | 92.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -66.7 | -42.8 | -177.5 | 175.5 | 65 | 0 | 0 | 0 | 111.9 | V301 T346 Y416 Q417 G423 L424 L425 | V301-L421 HydrophobicContact CG1-CD1 3.85Å; T346-L421 HydrophobicContact CG2-CD1 3.91Å; Y416-L421 PolarHBondContact O-N 3.23Å; Y416-L421 VanDerWaalsContact O-N 3.17Å; Q417-L421 HydrophobicContact CG-CD2 4.44Å; Q417-L421 WeakPolarHBondContact O-CB 3.35Å; L421-G423 VanDerWaalsContact C-N 3.31Å; L421-G423 PolarHBondContact O-N 3.44Å; L421-L424 PolarHBondContact O-N 3.43Å; L421-L425 WeakPolarHBondContact O-CB 3.23Å; L421-L425 PolarHBondContact O-N 3.43Å |
| 422 | F | 92.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 176.7 | -74.1 | 17.1 | 0 | 0 | 0 | 111.5 | Y15 V19 M349 I370 Q417 L418 L425 V426 | Y15-F422 HydrophobicContact CD1-CD2 4.24Å; Y15-F422 HydrophobicContact CD1-CE2 4.33Å; Y15-F422 AromaticContact CE1-CD2 3.93Å; Y15-F422 HydrophobicContact CE1-CD2 3.93Å; Y15-F422 HydrophobicContact CE1-CE2 4.26Å; V19-F422 HydrophobicContact CG1-CB 4.06Å; M349-F422 HydrophobicContact CE-CD1 4.1Å; M349-F422 HydrophobicContact CE-CE1 3.34Å; M349-F422 HydrophobicContact CE-CZ 3.86Å; I370-F422 HydrophobicContact CD1-CB 4.36Å; I370-F422 HydrophobicContact CD1-CD2 4.02Å; I370-F422 HydrophobicContact CD1-CG 4.15Å; I370-F422 HydrophobicContact CG2-CD2 3.83Å; I370-F422 HydrophobicContact CG2-CE2 3.32Å; I370-F422 HydrophobicContact CG2-CZ 3.79Å; Q417-F422 WeakPolarHBondContact O-CD1 3.37Å; Q417-F422 PolarHBondContact O-N 3.48Å; L418-F422 HydrophobicContact CD2-CE1 4.35Å; L418-F422 HydrophobicContact CD2-CE2 3.67Å; L418-F422 HydrophobicContact CD2-CZ 3.57Å; L418-F422 WeakPolarHBondContact O-CB 3.43Å; L418-F422 WeakPolarHBondContact O-CD2 3.35Å; L418-F422 WeakPolarHBondContact O-CG 3.35Å; F422-L425 WeakPolarHBondContact O-CB 3.16Å; F422-L425 PolarHBondContact O-N 3.07Å; F422-V426 WeakPolarHBondContact O-CG2 3.47Å; F422-V426 PolarHBondContact O-N 3.06Å; F422-V426 VanDerWaalsContact O-N 3.09Å |
| 423 | G | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T419 F420 L421 V426 Y427 | T419-G423 PolarHBondContact O-N 3.29Å; F420-G423 PolarHBondContact O-N 3.13Å; L421-G423 VanDerWaalsContact C-N 3.31Å; L421-G423 PolarHBondContact O-N 3.44Å; G423-V426 PolarHBondContact O-N 2.97Å; G423-Y427 VanDerWaalsContact O-CD2 3.24Å; G423-Y427 WeakPolarHBondContact O-CD2 3.49Å; G423-Y427 PolarHBondContact O-N 2.89Å |
| 424 | L | 92.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 18% | 0.178 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | 175.7 | -68.1 | -179.6 | 0 | 0 | 0 | 112.6 | V27 F420 L421 V426 Y427 E428 | V27-L424 HydrophobicContact CG1-CD2 4.49Å; V27-L424 HydrophobicContact CG2-CD2 4.24Å; V27-L424 HydrophobicContact CG2-CG 4.49Å; F420-L424 HydrophobicContact CD1-CD1 4.08Å; F420-L424 HydrophobicContact CE1-CD1 3.63Å; F420-L424 HydrophobicContact CE2-CD1 4.42Å; F420-L424 HydrophobicContact CZ-CD1 3.82Å; F420-L424 HydrophobicContact CZ-CG 4.49Å; F420-L424 WeakPolarHBondContact O-CG 3.32Å; F420-L424 PolarHBondContact O-N 2.98Å; L421-L424 PolarHBondContact O-N 3.43Å; L424-V426 VanDerWaalsContact C-N 3.3Å; L424-V426 PolarHBondContact O-N 3.44Å; L424-Y427 PolarHBondContact O-N 3.42Å; L424-E428 PolarHBondContact O-N 3.02Å |
| 425 | L | 90.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 176.6 | -166.5 | 75.7 | 0 | 0 | 0 | 111.8 | V301 M349 L353 I370 L421 F422 E428 A429 | V301-L425 HydrophobicContact CG1-CD1 4.3Å; M349-L425 HydrophobicContact CG-CD1 3.93Å; M349-L425 HydrophobicContact CG-CD2 3.42Å; M349-L425 VanDerWaalsContact CG-CD2 3.42Å; M349-L425 HydrophobicContact CG-CG 4.24Å; M349-L425 HydrophobicContact SD-CD2 3.48Å; M349-L425 WeakPolarHBondContact SD-CD2 3.4Å; L353-L425 HydrophobicContact CB-CD1 4.45Å; L353-L425 HydrophobicContact CD2-CD1 3.68Å; L353-L425 HydrophobicContact CD2-CG 4.04Å; I370-L425 HydrophobicContact CD1-CD2 4.24Å; I370-L425 HydrophobicContact CG1-CD2 3.92Å; L421-L425 WeakPolarHBondContact O-CB 3.23Å; L421-L425 PolarHBondContact O-N 3.43Å; F422-L425 WeakPolarHBondContact O-CB 3.16Å; F422-L425 PolarHBondContact O-N 3.07Å; L425-E428 PolarHBondContact O-N 3.37Å; L425-A429 WeakPolarHBondContact O-CB 3.18Å; L425-A429 PolarHBondContact O-N 3.43Å |
| 426 | V | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | V19 Y20 P23 I366 F422 G423 L424 E428 A429 R430 | V19-V426 HydrophobicContact CG1-CG2 4.13Å; Y20-V426 HydrophobicContact CD2-CG1 3.8Å; Y20-V426 HydrophobicContact CD2-CG2 4.42Å; Y20-V426 HydrophobicContact CE2-CG1 4.38Å; P23-V426 HydrophobicContact CB-CB 4.16Å; P23-V426 HydrophobicContact CB-CG1 3.87Å; P23-V426 HydrophobicContact CG-CG1 4.02Å; I366-V426 HydrophobicContact CD1-CG2 4.39Å; I366-V426 HydrophobicContact CG2-CG2 4.18Å; F422-V426 WeakPolarHBondContact O-CG2 3.47Å; F422-V426 PolarHBondContact O-N 3.06Å; F422-V426 VanDerWaalsContact O-N 3.09Å; G423-V426 PolarHBondContact O-N 2.97Å; L424-V426 VanDerWaalsContact C-N 3.3Å; L424-V426 PolarHBondContact O-N 3.44Å; V426-E428 VanDerWaalsContact C-N 3.27Å; V426-E428 PolarHBondContact O-N 3.42Å; V426-A429 PolarHBondContact O-N 2.91Å; V426-R430 WeakPolarHBondContact O-CB 3.44Å; V426-R430 WeakPolarHBondContact O-CG 3.2Å; V426-R430 PolarHBondContact O-N 3.33Å |
| 427 | Y | 90 | Very high | 86.9 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 38% | 0.384 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 177 | -78.5 | -67.9 | 0 | 0 | 0 | 111.8 | P23 A24 V27 G423 L424 R430 R431 | P23-Y427 HydrophobicContact CB-CD2 4.28Å; P23-Y427 HydrophobicContact CB-CE2 3.75Å; P23-Y427 HydrophobicContact CG-CE1 4.41Å; P23-Y427 HydrophobicContact CG-CE2 4.19Å; A24-Y427 WeakPolarHBondContact CA-OH 3.42Å; A24-Y427 PolarHBondContact N-OH 2.93Å; V27-Y427 HydrophobicContact CG2-CD2 4.4Å; V27-Y427 HydrophobicContact CG2-CE2 4.11Å; G423-Y427 VanDerWaalsContact O-CD2 3.24Å; G423-Y427 WeakPolarHBondContact O-CD2 3.49Å; G423-Y427 PolarHBondContact O-N 2.89Å; L424-Y427 PolarHBondContact O-N 3.42Å; Y427-R430 PolarHBondContact O-N 2.94Å; Y427-R431 WeakPolarHBondContact O-CB 3.38Å; Y427-R431 PolarHBondContact O-N 2.74Å |
| 428 | E | 86.2 | Confident | 85.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -48.2 | 177.9 | -178 | 57.3 | -162.5 | 0 | 0 | 112.4 | Y297 S298 V301 L424 L425 V426 R430 R431 E432 | Y297-E428 WeakPolarHBondContact CA-OE1 3.46Å; Y297-E428 HydrophobicContact CD1-CG 3.97Å; S298-E428 VanDerWaalsContact CB-OE2 3.3Å; S298-E428 WeakPolarHBondContact CB-OE2 3.49Å; S298-E428 PolarHBondContact N-OE1 3.34Å; V301-E428 HydrophobicContact CG2-CB 3.35Å; V301-E428 HydrophobicContact CG2-CG 3.63Å; L424-E428 PolarHBondContact O-N 3.02Å; L425-E428 PolarHBondContact O-N 3.37Å; V426-E428 VanDerWaalsContact C-N 3.27Å; V426-E428 PolarHBondContact O-N 3.42Å; E428-R430 VanDerWaalsContact C-N 3.28Å; E428-R430 PolarHBondContact O-N 2.54Å; E428-R431 CarbonylContact O-C 3.38Å; E428-R431 WeakPolarHBondContact O-CA 3.41Å; E428-R431 WeakPolarHBondContact O-CB 3.44Å; E428-R431 PolarHBondContact O-N 3.11Å; E428-R431 IonicContact OE1-CZ 3.52Å; E428-R431 IonicContact OE1-NE 2.77Å; E428-R431 IonicContact OE1-NH2 3.42Å; E428-R431 PolarHBondContact OE1-NH2 2.96Å; E428-R431 IonicContact OE2-CZ 3.27Å; E428-R431 IonicContact OE2-NE 3.96Å; E428-R431 PolarHBondContact OE2-NE 3.35Å; E428-R431 IonicContact OE2-NH2 2.79Å; E428-R431 PolarHBondContact OE2-NH2 3.11Å; E428-E432 PolarHBondContact O-N 3Å |
| 429 | A | 85.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L353 V362 I366 L425 V426 N433 | L353-A429 HydrophobicContact CD1-CB 4.41Å; L353-A429 HydrophobicContact CD2-CB 4.2Å; V362-A429 HydrophobicContact CG1-CB 4.25Å; I366-A429 HydrophobicContact CD1-CB 3.41Å; I366-A429 VanDerWaalsContact CD1-CB 3.41Å; I366-A429 HydrophobicContact CG1-CB 3.5Å; L425-A429 WeakPolarHBondContact O-CB 3.18Å; L425-A429 PolarHBondContact O-N 3.43Å; V426-A429 PolarHBondContact O-N 2.91Å; A429-N433 WeakPolarHBondContact O-CB 3.47Å; A429-N433 PolarHBondContact O-N 3.41Å |
| 430 | R | 89 | Confident | 82.6 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 172.2 | -74.6 | 176.7 | 176.7 | -176.2 | 0.6 | 112.2 | Y20 V362 V426 Y427 E428 R434 | Y20-R430 HydrophobicContact CE2-CG 4.43Å; Y20-R430 PolarHBondContact O-NH2 3.38Å; V362-R430 HydrophobicContact CG1-CG 4.45Å; V426-R430 WeakPolarHBondContact O-CB 3.44Å; V426-R430 WeakPolarHBondContact O-CG 3.2Å; V426-R430 PolarHBondContact O-N 3.33Å; Y427-R430 PolarHBondContact O-N 2.94Å; E428-R430 VanDerWaalsContact C-N 3.28Å; E428-R430 PolarHBondContact O-N 2.54Å; R430-R434 WeakPolarHBondContact O-CG 3.4Å; R430-R434 PolarHBondContact O-N 3.19Å; R430-R434 VanDerWaalsContact O-N 3.13Å |
| 431 | R | 85.5 | Confident | 80.8 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.3 | -47 | 177.8 | -170.9 | -171.5 | 71.9 | 133.6 | 20 | 111.6 | S298 Y427 E428 N433 R434 M435 | S298-R431 PolarHBondContact OG-NH1 3.07Å; Y427-R431 WeakPolarHBondContact O-CB 3.38Å; Y427-R431 PolarHBondContact O-N 2.74Å; E428-R431 CarbonylContact O-C 3.38Å; E428-R431 WeakPolarHBondContact O-CA 3.41Å; E428-R431 WeakPolarHBondContact O-CB 3.44Å; E428-R431 PolarHBondContact O-N 3.11Å; E428-R431 IonicContact OE1-CZ 3.52Å; E428-R431 IonicContact OE1-NE 2.77Å; E428-R431 IonicContact OE1-NH2 3.42Å; E428-R431 PolarHBondContact OE1-NH2 2.96Å; E428-R431 IonicContact OE2-CZ 3.27Å; E428-R431 IonicContact OE2-NE 3.96Å; E428-R431 PolarHBondContact OE2-NE 3.35Å; E428-R431 IonicContact OE2-NH2 2.79Å; E428-R431 PolarHBondContact OE2-NH2 3.11Å; R431-N433 VanDerWaalsContact C-N 3.32Å; R431-N433 PolarHBondContact O-N 3.19Å; R431-R434 WeakPolarHBondContact O-CB 3.49Å; R431-R434 PolarHBondContact O-N 2.86Å; R431-R434 VanDerWaalsContact O-N 3.14Å; R431-M435 WeakPolarHBondContact O-CG 3.46Å; R431-M435 PolarHBondContact O-N 2.82Å |
| 432 | E | 80 | Confident | 78.9 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.9 | -48.3 | 174.8 | -171.5 | -165.5 | 173.8 | 0 | 0 | 110.5 | R365 E428 R434 M435 N436 | R365-E432 IonicContact CZ-OE1 3.99Å; R365-E432 IonicContact CZ-OE2 3.42Å; R365-E432 IonicContact NH1-OE1 3.52Å; R365-E432 IonicContact NH1-OE2 2.8Å; R365-E432 PolarHBondContact NH1-OE2 3.4Å; R365-E432 IonicContact NH2-OE1 3.49Å; R365-E432 PolarHBondContact NH2-OE1 2.87Å; R365-E432 IonicContact NH2-OE2 3.15Å; R365-E432 PolarHBondContact NH2-OE2 3.15Å; R365-E432 VanDerWaalsContact NH2-OE2 3.15Å; E428-E432 PolarHBondContact O-N 3Å; E432-R434 VanDerWaalsContact C-N 3.33Å; E432-R434 PolarHBondContact O-N 3.02Å; E432-M435 PolarHBondContact O-N 3.41Å; E432-N436 PolarHBondContact O-N 2.75Å |
| 433 | N | 83.3 | Confident | 76.7 | Confident | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -37 | 178.6 | -173.7 | 57.3 | 0 | 0 | 0 | 113.1 | V362 A429 R431 R437 | V362-N433 HydrophobicContact CG2-CB 3.56Å; V362-N433 VanDerWaalsContact CG2-ND2 3.25Å; V362-N433 WeakPolarHBondContact CG2-ND2 3.43Å; A429-N433 WeakPolarHBondContact O-CB 3.47Å; A429-N433 PolarHBondContact O-N 3.41Å; R431-N433 VanDerWaalsContact C-N 3.32Å; R431-N433 PolarHBondContact O-N 3.19Å; N433-R437 WeakPolarHBondContact O-CB 3.38Å; N433-R437 WeakPolarHBondContact O-CG 3.15Å; N433-R437 PolarHBondContact O-N 2.97Å |
| 434 | R | 81.7 | Confident | 74.8 | Confident | 154 Ų | 154 | 77.4 Ų | 77.4 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 173.5 | -74.8 | -176.1 | -62.4 | -168.9 | 3 | 111.7 | R430 R431 E432 R437 Q438 | R430-R434 WeakPolarHBondContact O-CG 3.4Å; R430-R434 PolarHBondContact O-N 3.19Å; R430-R434 VanDerWaalsContact O-N 3.13Å; R431-R434 WeakPolarHBondContact O-CB 3.49Å; R431-R434 PolarHBondContact O-N 2.86Å; R431-R434 VanDerWaalsContact O-N 3.14Å; E432-R434 VanDerWaalsContact C-N 3.33Å; E432-R434 PolarHBondContact O-N 3.02Å; R434-R437 PolarHBondContact O-N 3.21Å; R434-Q438 WeakPolarHBondContact O-CG 3.21Å; R434-Q438 PolarHBondContact O-N 3.31Å |
| 435 | M | 75.1 | Confident | 73 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 47% | 0.468 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 178 | -71.3 | -58.2 | -54.2 | 0 | 0 | 112.2 | R431 E432 Q438 S439 | R431-M435 WeakPolarHBondContact O-CG 3.46Å; R431-M435 PolarHBondContact O-N 2.82Å; E432-M435 PolarHBondContact O-N 3.41Å; M435-Q438 PolarHBondContact O-N 3.21Å; M435-S439 WeakPolarHBondContact O-CB 3.03Å; M435-S439 PolarHBondContact O-N 3.01Å |
| 436 | N | 72.5 | Confident | 71.1 | Confident | 54 Ų | 54 | 82.9 Ų | 82.9 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176.7 | -71.4 | -17 | 0 | 0 | 0 | 111.3 | E432 Q438 S439 D440 | E432-N436 PolarHBondContact O-N 2.75Å; N436-Q438 PolarHBondContact O-N 3.27Å; N436-S439 PolarHBondContact O-N 3.1Å; N436-D440 WeakPolarHBondContact O-CB 3.14Å; N436-D440 PolarHBondContact O-N 2.62Å |
| 437 | R | 70.1 | Confident | 69.2 | Low | 169 Ų | 169 | 86.5 Ų | 86.5 | 64% | 0.638 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 173.2 | -77.7 | 178.9 | 172.5 | 175.3 | -2.5 | 112.3 | N433 R434 D440 E441 | N433-R437 WeakPolarHBondContact O-CB 3.38Å; N433-R437 WeakPolarHBondContact O-CG 3.15Å; N433-R437 PolarHBondContact O-N 2.97Å; R434-R437 PolarHBondContact O-N 3.21Å; R437-D440 PolarHBondContact O-N 3.17Å; R437-E441 WeakPolarHBondContact O-CB 3.47Å; R437-E441 PolarHBondContact O-N 2.85Å |
| 438 | Q | 65.8 | Low | 67.4 | Low | 117 Ų | 117 | 84.6 Ų | 84.6 | 55% | 0.547 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 177.1 | -75 | 177.9 | -16.1 | 0 | 0 | 112.4 | R434 M435 N436 E441 Y442 | R434-Q438 WeakPolarHBondContact O-CG 3.21Å; R434-Q438 PolarHBondContact O-N 3.31Å; M435-Q438 PolarHBondContact O-N 3.21Å; N436-Q438 PolarHBondContact O-N 3.27Å; Q438-E441 PolarHBondContact O-N 3.31Å; Q438-Y442 VanDerWaalsContact O-CB 3.31Å; Q438-Y442 WeakPolarHBondContact O-CB 3.01Å; Q438-Y442 PolarHBondContact O-N 3.35Å |
| 439 | S | 62.3 | Low | 66 | Low | 70 Ų | 70 | 87.2 Ų | 87.2 | 49% | 0.49 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 175 | 177.4 | 0 | 0 | 0 | 0 | 111 | M435 N436 E441 Y442 R443 | M435-S439 WeakPolarHBondContact O-CB 3.03Å; M435-S439 PolarHBondContact O-N 3.01Å; N436-S439 PolarHBondContact O-N 3.1Å; S439-E441 VanDerWaalsContact C-N 3.34Å; S439-Y442 PolarHBondContact O-N 3.42Å; S439-R443 VanDerWaalsContact O-CB 3.28Å; S439-R443 WeakPolarHBondContact O-CB 3.38Å; S439-R443 PolarHBondContact O-N 3.41Å |
| 440 | D | 60.4 | Low | 64.4 | Low | 98 Ų | 98 | 92 Ų | 92 | 52% | 0.524 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 176.2 | -77.7 | -21.8 | 0 | 0 | 0 | 112.1 | N436 R437 R443 S444 | N436-D440 WeakPolarHBondContact O-CB 3.14Å; N436-D440 PolarHBondContact O-N 2.62Å; R437-D440 PolarHBondContact O-N 3.17Å; D440-R443 PolarHBondContact O-N 3.4Å; D440-S444 WeakPolarHBondContact O-CB 3.46Å; D440-S444 PolarHBondContact O-N 2.85Å |
| 441 | E | 57.7 | Low | 62.5 | Low | 133 Ų | 133 | 94.1 Ų | 94.1 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.4 | -38.4 | 175.3 | -168.1 | 170.5 | -156.2 | 0 | 0 | 111.7 | R437 Q438 S439 S444 S445 | R437-E441 WeakPolarHBondContact O-CB 3.47Å; R437-E441 PolarHBondContact O-N 2.85Å; Q438-E441 PolarHBondContact O-N 3.31Å; S439-E441 VanDerWaalsContact C-N 3.34Å; E441-S444 PolarHBondContact O-OG 3.33Å; E441-S445 WeakPolarHBondContact O-CA 3.5Å; E441-S445 WeakPolarHBondContact O-CB 3.15Å; E441-S445 PolarHBondContact O-N 3.17Å |
| 442 | Y | 51.7 | Low | 61.2 | Low | 162 Ų | 162 | 93.6 Ų | 93.6 | 64% | 0.635 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.6 | -39 | 170.3 | -175.3 | -97.2 | 0 | 0 | 0 | 111.3 | Q438 S439 S445 L446 | Q438-Y442 VanDerWaalsContact O-CB 3.31Å; Q438-Y442 WeakPolarHBondContact O-CB 3.01Å; Q438-Y442 PolarHBondContact O-N 3.35Å; S439-Y442 PolarHBondContact O-N 3.42Å; Y442-S445 PolarHBondContact O-N 2.87Å; Y442-L446 HydrophobicContact CE1-CD1 4.5Å; Y442-L446 WeakPolarHBondContact O-CB 3.15Å; Y442-L446 PolarHBondContact O-N 2.89Å |
| 443 | R | 47.6 | Very low | 60.1 | Low | 156 Ų | 156 | 100.7 Ų | 100.7 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -39.7 | 176.2 | -139.1 | 176.4 | 94.5 | 178.5 | 7.9 | 111 | S439 D440 V447 | S439-R443 VanDerWaalsContact O-CB 3.28Å; S439-R443 WeakPolarHBondContact O-CB 3.38Å; S439-R443 PolarHBondContact O-N 3.41Å; D440-R443 PolarHBondContact O-N 3.4Å; R443-V447 WeakPolarHBondContact O-CB 3.3Å; R443-V447 WeakPolarHBondContact O-CG2 3.48Å; R443-V447 PolarHBondContact O-N 3.2Å |
| 444 | S | 52.4 | Low | 58.7 | Low | 71 Ų | 71 | 102.1 Ų | 102.1 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -37.3 | 175.3 | 92 | 0 | 0 | 0 | 0 | 110.8 | D440 E441 A448 | D440-S444 WeakPolarHBondContact O-CB 3.46Å; D440-S444 PolarHBondContact O-N 2.85Å; E441-S444 PolarHBondContact O-OG 3.33Å; S444-A448 WeakPolarHBondContact O-CA 3.4Å; S444-A448 WeakPolarHBondContact O-CB 3.14Å; S444-A448 PolarHBondContact O-N 3.36Å |
| 445 | S | 54 | Low | 57 | Low | 62 Ų | 62 | 103 Ų | 103 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | E441 Y442 A448 T449 | E441-S445 WeakPolarHBondContact O-CA 3.5Å; E441-S445 WeakPolarHBondContact O-CB 3.15Å; E441-S445 PolarHBondContact O-N 3.17Å; Y442-S445 PolarHBondContact O-N 2.87Å; S445-A448 CarbonylContact O-C 3.59Å; S445-A448 PolarHBondContact O-N 3.47Å; S445-T449 WeakPolarHBondContact O-CA 3.41Å; S445-T449 WeakPolarHBondContact O-CB 3.48Å; S445-T449 PolarHBondContact O-N 2.81Å; S445-T449 PolarHBondContact O-OG1 3.25Å |
| 446 | L | 50.9 | Low | 55.8 | Low | 89 Ų | 89 | 102 Ų | 102 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 175 | -167.5 | 89 | 0 | 0 | 0 | 110.3 | Y442 A448 T449 L450 | Y442-L446 HydrophobicContact CE1-CD1 4.5Å; Y442-L446 WeakPolarHBondContact O-CB 3.15Å; Y442-L446 PolarHBondContact O-N 2.89Å; L446-A448 VanDerWaalsContact C-N 3.34Å; L446-T449 CarbonylContact O-C 3.4Å; L446-T449 PolarHBondContact O-N 2.93Å; L446-L450 WeakPolarHBondContact O-CA 3.44Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 PolarHBondContact O-N 3.47Å |
| 447 | V | 51.2 | Low | 54.4 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.5 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | R443 L450 M451 | R443-V447 WeakPolarHBondContact O-CB 3.3Å; R443-V447 WeakPolarHBondContact O-CG2 3.48Å; R443-V447 PolarHBondContact O-N 3.2Å; V447-L450 PolarHBondContact O-N 3.28Å; V447-M451 HydrophobicContact CG1-CG 4.07Å; V447-M451 WeakPolarHBondContact O-CA 3.26Å; V447-M451 WeakPolarHBondContact O-CB 3.44Å; V447-M451 WeakPolarHBondContact O-CG 3.18Å; V447-M451 PolarHBondContact O-N 2.98Å |
| 448 | A | 52.8 | Low | 53.3 | Low | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | S444 S445 L446 S452 | S444-A448 WeakPolarHBondContact O-CA 3.4Å; S444-A448 WeakPolarHBondContact O-CB 3.14Å; S444-A448 PolarHBondContact O-N 3.36Å; S445-A448 CarbonylContact O-C 3.59Å; S445-A448 PolarHBondContact O-N 3.47Å; L446-A448 VanDerWaalsContact C-N 3.34Å; A448-S452 WeakPolarHBondContact O-CB 3.36Å; A448-S452 PolarHBondContact O-N 3.01Å; A448-S452 PolarHBondContact O-OG 3.48Å |
| 449 | T | 56.5 | Low | 52 | Low | 63 Ų | 63 | 103.4 Ų | 103.4 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.5 | -37.6 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | S445 L446 S452 K453 | S445-T449 WeakPolarHBondContact O-CA 3.41Å; S445-T449 WeakPolarHBondContact O-CB 3.48Å; S445-T449 PolarHBondContact O-N 2.81Å; S445-T449 PolarHBondContact O-OG1 3.25Å; L446-T449 CarbonylContact O-C 3.4Å; L446-T449 PolarHBondContact O-N 2.93Å; T449-S452 WeakPolarHBondContact CA-OG 3.23Å; T449-S452 PolarHBondContact O-N 3.26Å; T449-S452 PolarHBondContact O-OG 3.3Å; T449-K453 WeakPolarHBondContact O-CB 3.41Å; T449-K453 WeakPolarHBondContact O-CG 3.37Å; T449-K453 PolarHBondContact O-N 2.91Å |
| 450 | L | 51.7 | Low | 51.1 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.2 | -44.4 | 174.4 | -161.8 | 86.3 | 0 | 0 | 0 | 109.5 | L446 V447 S452 K453 I454 | L446-L450 WeakPolarHBondContact O-CA 3.44Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 PolarHBondContact O-N 3.47Å; V447-L450 PolarHBondContact O-N 3.28Å; L450-S452 VanDerWaalsContact C-N 3.29Å; L450-S452 PolarHBondContact O-N 3.32Å; L450-K453 CarbonylContact O-C 3.59Å; L450-K453 PolarHBondContact O-N 3.37Å; L450-I454 HydrophobicContact CD2-CD1 3.98Å; L450-I454 HydrophobicContact CG-CD1 3.85Å; L450-I454 WeakPolarHBondContact O-CB 3.48Å; L450-I454 WeakPolarHBondContact O-CD1 3.24Å; L450-I454 WeakPolarHBondContact O-CG1 3.46Å; L450-I454 PolarHBondContact O-N 2.94Å |
| 451 | M | 49.2 | Very low | 50.1 | Low | 120 Ų | 120 | 105.8 Ų | 105.8 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.3 | -34.8 | 173 | -74.6 | -78.2 | -102.2 | 0 | 0 | 111.4 | V447 R455 | V447-M451 HydrophobicContact CG1-CG 4.07Å; V447-M451 WeakPolarHBondContact O-CA 3.26Å; V447-M451 WeakPolarHBondContact O-CB 3.44Å; V447-M451 WeakPolarHBondContact O-CG 3.18Å; V447-M451 PolarHBondContact O-N 2.98Å; M451-R455 VanDerWaalsContact O-CB 3.24Å; M451-R455 WeakPolarHBondContact O-CB 3.18Å; M451-R455 PolarHBondContact O-N 2.89Å |
| 452 | S | 58.3 | Low | 49.3 | Very low | 66 Ų | 66 | 104.4 Ų | 104.4 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.1 | -32.6 | 174.9 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | A448 T449 L450 P456 | A448-S452 WeakPolarHBondContact O-CB 3.36Å; A448-S452 PolarHBondContact O-N 3.01Å; A448-S452 PolarHBondContact O-OG 3.48Å; T449-S452 WeakPolarHBondContact CA-OG 3.23Å; T449-S452 PolarHBondContact O-N 3.26Å; T449-S452 PolarHBondContact O-OG 3.3Å; L450-S452 VanDerWaalsContact C-N 3.29Å; L450-S452 PolarHBondContact O-N 3.32Å; S452-P456 WeakPolarHBondContact O-CD 3.27Å |
| 453 | K | 57.4 | Low | 48.5 | Very low | 155 Ų | 155 | 100.3 Ų | 100.3 | 67% | 0.674 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.7 | -31.6 | 171.4 | -78 | -177.9 | 178.1 | -178 | 0 | 113.6 | T449 L450 P456 | T449-K453 WeakPolarHBondContact O-CB 3.41Å; T449-K453 WeakPolarHBondContact O-CG 3.37Å; T449-K453 PolarHBondContact O-N 2.91Å; L450-K453 CarbonylContact O-C 3.59Å; L450-K453 PolarHBondContact O-N 3.37Å; K453-P456 VanDerWaalsContact O-CD 3.29Å; K453-P456 WeakPolarHBondContact O-CD 3.39Å; K453-P456 WeakPolarHBondContact O-CG 3.45Å |
| 454 | I | 52.3 | Low | 47.8 | Very low | 76 Ų | 76 | 97.1 Ų | 97.1 | 39% | 0.39 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.1 | -29.2 | 174.7 | -67 | 163.7 | 0 | 0 | 0 | 110.8 | L450 F457 T458 | L450-I454 HydrophobicContact CD2-CD1 3.98Å; L450-I454 HydrophobicContact CG-CD1 3.85Å; L450-I454 WeakPolarHBondContact O-CB 3.48Å; L450-I454 WeakPolarHBondContact O-CD1 3.24Å; L450-I454 WeakPolarHBondContact O-CG1 3.46Å; L450-I454 PolarHBondContact O-N 2.94Å; I454-F457 PolarHBondContact O-N 3.3Å; I454-T458 HydrophobicContact CG2-CG2 3.86Å; I454-T458 PolarHBondContact O-N 3.22Å; I454-T458 PolarHBondContact O-OG1 2.86Å |
| 455 | R | 47.2 | Very low | 46.8 | Very low | 172 Ų | 172 | 98.2 Ų | 98.2 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -52 | -43.4 | 178.6 | -117.7 | 178 | 173.4 | -177.7 | -0.8 | 115.1 | M451 T458 K459 | M451-R455 VanDerWaalsContact O-CB 3.24Å; M451-R455 WeakPolarHBondContact O-CB 3.18Å; M451-R455 PolarHBondContact O-N 2.89Å; R455-T458 WeakPolarHBondContact CA-OG1 3.41Å; R455-T458 PolarHBondContact O-OG1 3.43Å; R455-K459 WeakPolarHBondContact O-CB 3.38Å; R455-K459 WeakPolarHBondContact O-CG 3.42Å; R455-K459 PolarHBondContact O-N 2.71Å |
| 456 | P | 49.5 | Very low | 45.6 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 47% | 0.474 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.6 | -36.6 | 174.3 | 22.8 | -31.5 | 0 | 0 | 0 | 112.1 | S452 K453 T458 K459 T460 | S452-P456 WeakPolarHBondContact O-CD 3.27Å; K453-P456 VanDerWaalsContact O-CD 3.29Å; K453-P456 WeakPolarHBondContact O-CD 3.39Å; K453-P456 WeakPolarHBondContact O-CG 3.45Å; P456-T458 PolarHBondContact O-N 3.16Å; P456-K459 PolarHBondContact O-N 3.35Å; P456-T460 PolarHBondContact O-N 2.76Å; P456-T460 PolarHBondContact O-OG1 3.1Å |
| 457 | F | 44 | Very low | 44.5 | Very low | 154 Ų | 154 | 104.9 Ų | 104.9 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.7 | -35.8 | 179.7 | -143 | -96.2 | 0 | 0 | 0 | 112.6 | I454 L461 | I454-F457 PolarHBondContact O-N 3.3Å; F457-L461 HydrophobicContact CD1-CD1 3.93Å; F457-L461 HydrophobicContact CE1-CD1 3.92Å; F457-L461 PolarHBondContact O-N 3.39Å |
| 458 | T | 45.7 | Very low | 43.4 | Very low | 71 Ų | 71 | 111.3 Ų | 111.3 | 44% | 0.436 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.4 | -33.7 | 174.3 | 38.5 | 0 | 0 | 0 | 0 | 112.6 | I454 R455 P456 V462 | I454-T458 HydrophobicContact CG2-CG2 3.86Å; I454-T458 PolarHBondContact O-N 3.22Å; I454-T458 PolarHBondContact O-OG1 2.86Å; R455-T458 WeakPolarHBondContact CA-OG1 3.41Å; R455-T458 PolarHBondContact O-OG1 3.43Å; P456-T458 PolarHBondContact O-N 3.16Å; T458-V462 WeakPolarHBondContact O-CB 3.08Å; T458-V462 WeakPolarHBondContact O-CG2 3.37Å; T458-V462 PolarHBondContact O-N 3.17Å; T458-V462 VanDerWaalsContact O-N 3.08Å |
| 459 | K | 40.1 | Very low | 42 | Very low | 145 Ų | 145 | 117.4 Ų | 117.4 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.4 | -36.1 | 172.9 | -81.3 | -174.3 | 174.5 | -172.7 | 0 | 112.8 | R455 P456 A463 | R455-K459 WeakPolarHBondContact O-CB 3.38Å; R455-K459 WeakPolarHBondContact O-CG 3.42Å; R455-K459 PolarHBondContact O-N 2.71Å; P456-K459 PolarHBondContact O-N 3.35Å; K459-A463 WeakPolarHBondContact O-CB 3.31Å; K459-A463 PolarHBondContact O-N 2.73Å |
| 460 | T | 43 | Very low | 40.6 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.9 | -36.8 | 178.9 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | P456 A464 | P456-T460 PolarHBondContact O-N 2.76Å; P456-T460 PolarHBondContact O-OG1 3.1Å; T460-A464 WeakPolarHBondContact O-CB 3.42Å; T460-A464 PolarHBondContact O-N 3.45Å |
| 461 | L | 37.8 | Very low | 39.2 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 62% | 0.618 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.9 | -30.9 | 174.9 | -96.2 | 149.1 | 0 | 0 | 0 | 113.3 | F457 | F457-L461 HydrophobicContact CD1-CD1 3.93Å; F457-L461 HydrophobicContact CE1-CD1 3.92Å; F457-L461 PolarHBondContact O-N 3.39Å |
| 462 | V | 42.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -84.9 | -27.2 | 178.1 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | T458 S465 | T458-V462 WeakPolarHBondContact O-CB 3.08Å; T458-V462 WeakPolarHBondContact O-CG2 3.37Å; T458-V462 PolarHBondContact O-N 3.17Å; T458-V462 VanDerWaalsContact O-N 3.08Å; V462-S465 PolarHBondContact O-OG 3.24Å |
| 463 | A | 35.1 | Very low | 36.3 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -79.4 | -28.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K459 S465 | K459-A463 WeakPolarHBondContact O-CB 3.31Å; K459-A463 PolarHBondContact O-N 2.73Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 3.04Å |
| 464 | A | 33.1 | Very low | 34.7 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -15.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T460 | T460-A464 WeakPolarHBondContact O-CB 3.42Å; T460-A464 PolarHBondContact O-N 3.45Å |
| 465 | S | 31.7 | Very low | 33.4 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 1.6 | -177.2 | 64.3 | 0 | 0 | 0 | 0 | 115.2 | V462 A463 | V462-S465 PolarHBondContact O-OG 3.24Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 3.04Å |
| 466 | C | 28.6 | Very low | 32.4 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -120.8 | 55.5 | -174.8 | -85.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 467 | Q | 28 | Very low | 31.3 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -160.7 | 86.8 | 162.2 | -115.3 | -179.5 | 3.1 | 0 | 0 | 113 | ||||
| 468 | K | 26.9 | Very low | 30.5 | Very low | 209 Ų | 209 | 141.9 Ų | 141.9 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -173.7 | 112 | 143.8 | -110.2 | 169.3 | -178.8 | 176.1 | 0 | 112.7 | ||||
| 469 | K | 24.9 | Very low | 29.5 | Very low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | trans | 10.5 | 127.6 | 134.8 | -83 | -179.6 | 176.5 | 177.5 | 0 | 116.7 | ||||
| 470 | N | 25.3 | Very low | 28.9 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | 162.8 | 155.1 | 78 | -106.6 | -12.3 | 0 | 0 | 0 | 112.6 | |||||
| 471 | R | 23.5 | Very low | 28.1 | Very low | 235 Ų | 235 | 149.3 Ų | 149.3 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -39.4 | 140.4 | 163.5 | -73.9 | 168.3 | 162.4 | 172.5 | -6 | 113.9 | ||||
| 472 | V | 25.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | 167.2 | 150.8 | 130.3 | 158.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 473 | K | 20.9 | Very low | 26.6 | Very low | 211 Ų | 211 | 151 Ų | 151 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -32.4 | 132.5 | -179.9 | -67.4 | 172.7 | 173.2 | 178.6 | 0 | 116.3 | ||||
| 474 | G | 24.3 | Very low | 26.2 | Very low | 70 Ų | 70 | 154.6 Ų | 154.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 172.9 | 123.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | T476 | G474-T476 PolarHBondContact O-N 3.42Š| ||
| 475 | E | 23.9 | Very low | 25.9 | Very low | 197 Ų | 197 | 159.8 Ų | 159.8 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -19.4 | 115.2 | 176.5 | -68.5 | 161.2 | 158.1 | 0 | 0 | 116.7 | K477 | E475-K477 PolarHBondContact O-N 3.34Š| ||
| 476 | T | 26.5 | Very low | 25.7 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | trans | -84.9 | 114.2 | -178.8 | 21 | 0 | 0 | 0 | 0 | 112.3 | G474 | G474-T476 PolarHBondContact O-N 3.42Š| ||
| 477 | K | 25.6 | Very low | 25.6 | Very low | 197 Ų | 197 | 165.2 Ų | 165.2 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -43.6 | 143.5 | 168.1 | -70.1 | 169.3 | 173.6 | 175.3 | 0 | 115 | E475 | E475-K477 PolarHBondContact O-N 3.34Š| ||
| 478 | D | 27.4 | Very low | 25.6 | Very low | 151 Ų | 151 | 163.9 Ų | 163.9 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | trans | -38.1 | 140.8 | 159.5 | -66.3 | -58.5 | 0 | 0 | 0 | 114.1 | I480 | D478-I480 PolarHBondContact O-N 3.2Š| ||
| 479 | K | 24.8 | Very low | 25.4 | Very low | 201 Ų | 201 | 163 Ų | 163 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -58.9 | 96.8 | 166.5 | -68.4 | 171.9 | 177 | 175.1 | 0 | 109.2 | V481 | K479-V481 VanDerWaalsContact C-N 3.25Å; K479-V481 PolarHBondContact O-N 3.37Å | ||
| 480 | I | 27 | Very low | 25.7 | Very low | 154 Ų | 154 | 159.5 Ų | 159.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -72.7 | 92.3 | 158.7 | -61.4 | 174.8 | 0 | 0 | 0 | 106.2 | D478 L482 | D478-I480 PolarHBondContact O-N 3.2Å; I480-L482 PolarHBondContact O-N 3.03Å; I480-L482 VanDerWaalsContact O-N 3.1Å | ||
| 481 | V | 26.1 | Very low | 26.2 | Very low | 118 Ų | 118 | 159.3 Ų | 159.3 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | -60.6 | 107.7 | 163.2 | 176.1 | 0 | 0 | 0 | 0 | 106.4 | K479 P483 | K479-V481 VanDerWaalsContact C-N 3.25Å; K479-V481 PolarHBondContact O-N 3.37Å; V481-P483 VanDerWaalsContact O-CD 3.31Å; V481-P483 WeakPolarHBondContact O-CD 3.13Å | ||
| 482 | L | 24.4 | Very low | 26.8 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -56.3 | 117 | 166.6 | -75 | 157.7 | 0 | 0 | 0 | 107.3 | I480 N484 | I480-L482 PolarHBondContact O-N 3.03Å; I480-L482 VanDerWaalsContact O-N 3.1Å; L482-N484 PolarHBondContact O-N 3.21Å | ||
| 483 | P | 25.8 | Very low | 27.5 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -61.6 | 127.9 | 172 | -12.5 | 26.1 | 0 | 0 | 0 | 107.1 | V481 H485 | V481-P483 VanDerWaalsContact O-CD 3.31Å; V481-P483 WeakPolarHBondContact O-CD 3.13Å; P483-H485 PolarHBondContact O-N 2.68Å | ||
| 484 | N | 24.8 | Very low | 28.8 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -41.3 | 117.8 | 162.6 | -97.7 | -20.8 | 0 | 0 | 0 | 108.3 | L482 S486 | L482-N484 PolarHBondContact O-N 3.21Å; N484-S486 PolarHBondContact O-N 3.07Å | ||
| 485 | H | 28.5 | Very low | 30.3 | Very low | 197 Ų | 197 | 155 Ų | 155 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | trans | -66 | 69.7 | 164 | -98.4 | -65.5 | 0 | 0 | 0 | 108.4 | P483 | P483-H485 PolarHBondContact O-N 2.68Š| ||
| 486 | S | 26.7 | Very low | 32 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -97.1 | 140.5 | 150 | 77.3 | 0 | 0 | 0 | 0 | 106.6 | N484 | N484-S486 PolarHBondContact O-N 3.07Š| ||
| 487 | R | 26.7 | Very low | 34.1 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 83.5 | 83.5 | -166.5 | -55.9 | 176.7 | 173 | 157.2 | -0.9 | 113.2 | K489 | R487-K489 PolarHBondContact O-N 2.86Š| ||
| 488 | N | 27.6 | Very low | 36.5 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | -33.3 | 100.5 | 124.9 | -71.8 | -19.1 | 0 | 0 | 0 | 108.2 | P490 | N488-P490 VanDerWaalsContact O-CD 3.31Å; N488-P490 WeakPolarHBondContact O-CD 3.42Å | |||
| 489 | K | 23.3 | Very low | 39.2 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | -61.5 | 115.6 | 150 | -81.3 | -178.6 | 175.5 | 179.6 | 0 | 103.4 | R487 D491 | R487-K489 PolarHBondContact O-N 2.86Å; K489-D491 PolarHBondContact O-N 2.71Å; K489-D491 VanDerWaalsContact O-N 3.12Å | ||
| 490 | P | 31.6 | Very low | 42 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | trans | -55.9 | 126.5 | 168.5 | 25.9 | -30.1 | 0 | 0 | 0 | 104.9 | N488 D492 | N488-P490 VanDerWaalsContact O-CD 3.31Å; N488-P490 WeakPolarHBondContact O-CD 3.42Å; P490-D492 PolarHBondContact O-N 3.39Å | ||
| 491 | D | 34.7 | Very low | 44.8 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | trans | -37.5 | 133.1 | 170.3 | -72.8 | -48.2 | 0 | 0 | 0 | 108.4 | K489 K493 | K489-D491 PolarHBondContact O-N 2.71Å; K489-D491 VanDerWaalsContact O-N 3.12Å; D491-K493 PolarHBondContact O-N 3.18Å | ||
| 492 | D | 35.6 | Very low | 47.7 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 86% | 0.861 | 60% | 0.598 | S | S | * | * | trans | -59.9 | 72.7 | 167.7 | -75.5 | -42.5 | 0 | 0 | 0 | 108.4 | P490 V494 | P490-D492 PolarHBondContact O-N 3.39Å; D492-V494 PolarHBondContact O-N 3.09Å | ||
| 493 | K | 41.4 | Very low | 50.8 | Low | 169 Ų | 169 | 113.6 Ų | 113.6 | 74% | 0.735 | 58% | 0.575 | S | S | * | * | trans | -66.5 | 90 | 161.5 | -73.5 | -172.9 | -178.8 | -178.3 | 0 | 103.4 | D491 E495 | D491-K493 PolarHBondContact O-N 3.18Å; K493-E495 VanDerWaalsContact C-N 3.34Å; K493-E495 PolarHBondContact O-N 3.14Å | ||
| 494 | V | 48.8 | Very low | 53.9 | Low | 71 Ų | 71 | 109 Ų | 109 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | trans | -48 | 107.4 | 163.6 | 179.6 | 0 | 0 | 0 | 0 | 105.9 | R286 D492 E496 | R286-V494 HydrophobicContact CG-CB 4.13Å; R286-V494 HydrophobicContact CG-CG1 3.62Å; D492-V494 PolarHBondContact O-N 3.09Å; V494-E496 PolarHBondContact O-N 2.88Å; V494-E496 VanDerWaalsContact O-N 3.17Å | ||
| 495 | E | 55.9 | Low | 56.9 | Low | 165 Ų | 165 | 103.4 Ų | 103.4 | 77% | 0.771 | 52% | 0.517 | S | S | * | . | trans | -58.1 | 121.8 | -179.6 | -79.9 | -176.4 | 158.7 | 0 | 0 | 108.1 | K493 V497 | K493-E495 VanDerWaalsContact C-N 3.34Å; K493-E495 PolarHBondContact O-N 3.14Å; E495-V497 PolarHBondContact O-N 2.86Å | ||
| 496 | E | 59.3 | Low | 59.7 | Low | 99 Ų | 99 | 95.5 Ų | 95.5 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | trans | -76.8 | 105.9 | 173.5 | -70.7 | -176.1 | 176.8 | 0 | 0 | 108.1 | R286 V494 | R286-E496 IonicContact NH1-OE1 2.74Å; V494-E496 PolarHBondContact O-N 2.88Å; V494-E496 VanDerWaalsContact O-N 3.17Å | ||
| 497 | V | 69.5 | Low | 62.6 | Low | 59 Ų | 59 | 97 Ų | 97 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.8 | 177.3 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | K285 E495 F499 | K285-V497 PolarHBondContact N-O 2.92Å; K285-V497 PolarHBondContact O-N 3.42Å; E495-V497 PolarHBondContact O-N 2.86Å; V497-F499 PolarHBondContact O-N 3.46Å |
| 498 | E | 76.5 | Confident | 65.8 | Low | 37 Ų | 37 | 88.8 Ų | 88.8 | 17% | 0.173 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132.8 | 173.5 | -63.5 | -173.7 | 161.5 | 0 | 0 | 110.6 | Q282 A354 F500 N501 S502 | Q282-E498 PolarHBondContact NE2-OE1 3.39Å; Q282-E498 VanDerWaalsContact NE2-OE1 3.12Å; Q282-E498 PolarHBondContact OE1-OE1 3.14Å; A354-E498 WeakPolarHBondContact CB-OE1 3.49Å; E498-F500 PolarHBondContact O-N 2.98Å; E498-N501 HydrophobicContact CB-CB 4.04Å; E498-N501 PolarHBondContact O-N 3.41Å; E498-S502 WeakPolarHBondContact O-CB 3.44Å; E498-S502 PolarHBondContact O-N 3.1Å |
| 499 | F | 83.2 | Confident | 68.8 | Low | 57 Ų | 57 | 81.2 Ų | 81.2 | 25% | 0.25 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | -174.1 | 171.9 | -96.7 | 0 | 0 | 0 | 111.6 | L283 V290 V497 S502 F503 | L283-F499 HydrophobicContact CB-CB 3.71Å; L283-F499 HydrophobicContact CB-CD1 4.44Å; L283-F499 HydrophobicContact CB-CG 4.2Å; L283-F499 HydrophobicContact CD1-CD1 4.41Å; L283-F499 WeakPolarHBondContact O-CB 3.37Å; L283-F499 PolarHBondContact O-N 3.12Å; V290-F499 HydrophobicContact CG1-CD2 4.26Å; V290-F499 HydrophobicContact CG2-CD2 3.79Å; V290-F499 HydrophobicContact CG2-CE2 3.92Å; V497-F499 PolarHBondContact O-N 3.46Å; F499-S502 PolarHBondContact O-N 2.73Å; F499-F503 WeakPolarHBondContact O-CB 3.16Å; F499-F503 PolarHBondContact O-N 3.41Å |
| 500 | F | 85.1 | Confident | 72 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | -178.5 | -69.2 | -67.9 | 0 | 0 | 0 | 111.9 | E498 S502 F503 F504 W823 | E498-F500 PolarHBondContact O-N 2.98Å; F500-S502 PolarHBondContact O-N 3Å; F500-F503 PolarHBondContact O-N 2.92Å; F500-F504 HydrophobicContact CB-CD2 4.33Å; F500-F504 HydrophobicContact CB-CE2 4.46Å; F500-F504 HydrophobicContact CD1-CE2 4.24Å; F500-F504 WeakPolarHBondContact O-CB 3.29Å; F500-F504 WeakPolarHBondContact O-CD2 3.44Å; F500-F504 PolarHBondContact O-N 3.21Å; F500-W823 HydrophobicContact CB-CB 4Å; F500-W823 HydrophobicContact CB-CD2 4.31Å; F500-W823 HydrophobicContact CB-CG 3.89Å; F500-W823 AromaticContact CD1-CD2 3.78Å; F500-W823 HydrophobicContact CD1-CD2 3.78Å; F500-W823 AromaticContact CD1-CE3 3.74Å; F500-W823 HydrophobicContact CD1-CE3 3.74Å; F500-W823 HydrophobicContact CD1-CG 4.25Å; F500-W823 HydrophobicContact CD1-CZ3 4.13Å; F500-W823 HydrophobicContact CD2-CD2 4.01Å; F500-W823 AromaticContact CD2-CE2 3.76Å; F500-W823 HydrophobicContact CD2-CG 4.15Å; F500-W823 HydrophobicContact CD2-CZ2 4.28Å; F500-W823 AromaticContact CD2-NE1 3.74Å; F500-W823 HydrophobicContact CE1-CD2 4.02Å; F500-W823 AromaticContact CE1-CE3 3.8Å; F500-W823 HydrophobicContact CE1-CE3 3.8Å; F500-W823 AromaticContact CE1-CH2 3.81Å; F500-W823 HydrophobicContact CE1-CH2 3.81Å; F500-W823 HydrophobicContact CE1-CZ2 4.04Å; F500-W823 AromaticContact CE1-CZ3 3.69Å; F500-W823 HydrophobicContact CE1-CZ3 3.69Å; F500-W823 HydrophobicContact CE2-CD2 4.24Å; F500-W823 AromaticContact CE2-CE2 3.67Å; F500-W823 HydrophobicContact CE2-CH2 4.29Å; F500-W823 AromaticContact CE2-CZ2 3.71Å; F500-W823 HydrophobicContact CE2-CZ2 3.71Å; F500-W823 AromaticContact CE2-NE1 3.95Å; F500-W823 HydrophobicContact CG-CB 4.42Å; F500-W823 AromaticContact CG-CD2 3.77Å; F500-W823 HydrophobicContact CG-CD2 3.77Å; F500-W823 HydrophobicContact CG-CE3 4.23Å; F500-W823 AromaticContact CG-CG 3.84Å; F500-W823 HydrophobicContact CG-CG 3.84Å; F500-W823 HydrophobicContact CZ-CD2 4.25Å; F500-W823 AromaticContact CZ-CE2 3.86Å; F500-W823 HydrophobicContact CZ-CE3 4.33Å; F500-W823 AromaticContact CZ-CH2 3.67Å; F500-W823 HydrophobicContact CZ-CH2 3.67Å; F500-W823 AromaticContact CZ-CZ2 3.57Å; F500-W823 HydrophobicContact CZ-CZ2 3.57Å; F500-W823 HydrophobicContact CZ-CZ3 4.06Å |
| 501 | N | 85.8 | Confident | 74.9 | Confident | 46 Ų | 46 | 76.4 Ų | 76.4 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.2 | -174.3 | -19.4 | 0 | 0 | 0 | 111 | E498 F503 F504 S505 G819 | E498-N501 HydrophobicContact CB-CB 4.04Å; E498-N501 PolarHBondContact O-N 3.41Å; N501-F503 VanDerWaalsContact C-N 3.33Å; N501-F503 PolarHBondContact O-N 3.44Å; N501-F504 PolarHBondContact O-N 3.38Å; N501-S505 VanDerWaalsContact O-CB 3.26Å; N501-S505 WeakPolarHBondContact O-CB 3.38Å; N501-S505 PolarHBondContact O-N 3.09Å; N501-S505 PolarHBondContact O-OG 3.49Å; N501-G819 VanDerWaalsContact CA-O 3.26Å; N501-G819 WeakPolarHBondContact CA-O 3.17Å; N501-G819 PolarHBondContact OD1-O 3.34Å |
| 502 | S | 85.7 | Confident | 77.7 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | E498 F499 F500 G506 | E498-S502 WeakPolarHBondContact O-CB 3.44Å; E498-S502 PolarHBondContact O-N 3.1Å; F499-S502 PolarHBondContact O-N 2.73Å; F500-S502 PolarHBondContact O-N 3Å; S502-G506 VanDerWaalsContact O-CA 3.24Å; S502-G506 WeakPolarHBondContact O-CA 3.42Å; S502-G506 PolarHBondContact O-N 3.47Å |
| 503 | F | 90 | Very high | 80.3 | Confident | 71 Ų | 71 | 63 Ų | 63 | 31% | 0.311 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -65.1 | -51.7 | 176.9 | 175 | -96.9 | 0 | 0 | 0 | 111.4 | F499 F500 N501 Q507 Y508 | F499-F503 WeakPolarHBondContact O-CB 3.16Å; F499-F503 PolarHBondContact O-N 3.41Å; F500-F503 PolarHBondContact O-N 2.92Å; N501-F503 VanDerWaalsContact C-N 3.33Å; N501-F503 PolarHBondContact O-N 3.44Å; F503-Q507 HydrophobicContact CD2-CB 4.3Å; F503-Q507 VanDerWaalsContact CD2-OE1 3.24Å; F503-Q507 HydrophobicContact CE2-CB 4.45Å; F503-Q507 PolarHBondContact O-N 2.98Å; F503-Y508 PolarHBondContact O-N 3.05Å |
| 504 | F | 91.5 | Very high | 82.7 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -72.2 | -45.1 | -175.3 | -77.2 | -69.6 | 0 | 0 | 0 | 112.6 | F500 N501 Y508 A509 L818 A822 W823 I826 | F500-F504 HydrophobicContact CB-CD2 4.33Å; F500-F504 HydrophobicContact CB-CE2 4.46Å; F500-F504 HydrophobicContact CD1-CE2 4.24Å; F500-F504 WeakPolarHBondContact O-CB 3.29Å; F500-F504 WeakPolarHBondContact O-CD2 3.44Å; F500-F504 PolarHBondContact O-N 3.21Å; N501-F504 PolarHBondContact O-N 3.38Å; F504-Y508 AromaticContact CD1-CD1 3.72Å; F504-Y508 HydrophobicContact CD1-CD1 3.72Å; F504-Y508 HydrophobicContact CD1-CE1 4.4Å; F504-Y508 AromaticContact CD1-CG 3.88Å; F504-Y508 HydrophobicContact CD1-CG 3.88Å; F504-Y508 HydrophobicContact CE1-CD1 4.3Å; F504-Y508 HydrophobicContact CE1-CG 4.28Å; F504-A509 WeakPolarHBondContact O-CB 3.04Å; F504-A509 PolarHBondContact O-N 2.84Å; F504-L818 WeakPolarHBondContact CB-O 3.24Å; F504-A822 HydrophobicContact CB-CB 4.21Å; F504-A822 HydrophobicContact CD1-CB 3.54Å; F504-A822 HydrophobicContact CD2-CB 4.12Å; F504-A822 HydrophobicContact CE1-CB 3.89Å; F504-A822 HydrophobicContact CE2-CB 4.44Å; F504-A822 HydrophobicContact CG-CB 3.69Å; F504-A822 HydrophobicContact CZ-CB 4.35Å; F504-W823 HydrophobicContact CD2-CB 4.13Å; F504-W823 HydrophobicContact CE2-CB 3.85Å; F504-W823 HydrophobicContact CE2-CE3 4.11Å; F504-I826 HydrophobicContact CE1-CD1 3.91Å; F504-I826 HydrophobicContact CE2-CD1 4.38Å; F504-I826 HydrophobicContact CZ-CD1 3.45Å; F504-I826 VanDerWaalsContact CZ-CD1 3.45Å |
| 505 | S | 87.7 | Confident | 84.6 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -71.3 | -34 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 113 | N501 R815 | N501-S505 VanDerWaalsContact O-CB 3.26Å; N501-S505 WeakPolarHBondContact O-CB 3.38Å; N501-S505 PolarHBondContact O-N 3.09Å; N501-S505 PolarHBondContact O-OG 3.49Å; S505-R815 WeakPolarHBondContact CA-O 3.46Å; S505-R815 VanDerWaalsContact CB-O 3.31Å; S505-R815 WeakPolarHBondContact CB-O 3.14Å; S505-R815 WeakPolarHBondContact O-CG 3.36Å |
| 506 | G | 87.2 | Confident | 86.4 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -89.9 | -78.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S502 T510 | S502-G506 VanDerWaalsContact O-CA 3.24Å; S502-G506 WeakPolarHBondContact O-CA 3.42Å; S502-G506 PolarHBondContact O-N 3.47Å; G506-T510 WeakPolarHBondContact O-CB 3.41Å; G506-T510 PolarHBondContact O-N 2.98Å; G506-T510 PolarHBondContact O-OG1 3.35Å |
| 507 | Q | 88.2 | Confident | 88.1 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 58% | 0.575 | 29% | 0.291 | S | S | * | . | I | π-helix | trans | -73.4 | -55.5 | -170 | -69.1 | -179.6 | -41.8 | 0 | 0 | 112.2 | F503 T510 F511 | F503-Q507 HydrophobicContact CD2-CB 4.3Å; F503-Q507 VanDerWaalsContact CD2-OE1 3.24Å; F503-Q507 HydrophobicContact CE2-CB 4.45Å; F503-Q507 PolarHBondContact O-N 2.98Å; Q507-T510 PolarHBondContact O-N 3.19Å; Q507-F511 WeakPolarHBondContact O-CB 3.41Å; Q507-F511 PolarHBondContact O-N 2.93Å |
| 508 | Y | 93.4 | Very high | 89.2 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -63.9 | -54.1 | -175.5 | 179.1 | -102 | 0 | 0 | 0 | 111.9 | F503 F504 T510 F511 I512 L818 L866 | F503-Y508 PolarHBondContact O-N 3.05Å; F504-Y508 AromaticContact CD1-CD1 3.72Å; F504-Y508 HydrophobicContact CD1-CD1 3.72Å; F504-Y508 HydrophobicContact CD1-CE1 4.4Å; F504-Y508 AromaticContact CD1-CG 3.88Å; F504-Y508 HydrophobicContact CD1-CG 3.88Å; F504-Y508 HydrophobicContact CE1-CD1 4.3Å; F504-Y508 HydrophobicContact CE1-CG 4.28Å; Y508-T510 VanDerWaalsContact C-N 3.26Å; Y508-T510 PolarHBondContact O-N 3.31Å; Y508-F511 WeakPolarHBondContact O-CB 3.38Å; Y508-F511 PolarHBondContact O-N 3.44Å; Y508-I512 HydrophobicContact CD1-CD1 4.39Å; Y508-I512 HydrophobicContact CD2-CG2 4.4Å; Y508-I512 HydrophobicContact CE1-CD1 3.95Å; Y508-I512 HydrophobicContact CE1-CG2 4.16Å; Y508-I512 HydrophobicContact CE2-CG2 3.96Å; Y508-I512 PolarHBondContact O-N 2.82Å; Y508-L818 HydrophobicContact CD1-CD1 4.33Å; Y508-L818 HydrophobicContact CE1-CD1 4.21Å; Y508-L866 PolarHBondContact OH-O 3.3Å |
| 509 | A | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -35.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | F504 I512 M513 R815 L818 | F504-A509 WeakPolarHBondContact O-CB 3.04Å; F504-A509 PolarHBondContact O-N 2.84Å; A509-I512 WeakPolarHBondContact O-CG1 3.16Å; A509-M513 WeakPolarHBondContact O-CB 3.3Å; A509-M513 WeakPolarHBondContact O-CG 3.33Å; A509-M513 PolarHBondContact O-N 3.41Å; A509-M513 VanDerWaalsContact O-N 3.14Å; A509-R815 HydrophobicContact CB-CB 4.33Å; A509-R815 HydrophobicContact CB-CG 3.6Å; A509-L818 HydrophobicContact CB-CD1 4.14Å |
| 510 | T | 90.1 | Very high | 90.6 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 175 | -59.7 | 0 | 0 | 0 | 0 | 112 | G506 Q507 Y508 M513 S514 R815 | G506-T510 WeakPolarHBondContact O-CB 3.41Å; G506-T510 PolarHBondContact O-N 2.98Å; G506-T510 PolarHBondContact O-OG1 3.35Å; Q507-T510 PolarHBondContact O-N 3.19Å; Y508-T510 VanDerWaalsContact C-N 3.26Å; Y508-T510 PolarHBondContact O-N 3.31Å; T510-M513 PolarHBondContact O-N 3.5Å; T510-S514 PolarHBondContact O-N 3.31Å; T510-R815 PolarHBondContact OG1-NH2 3.17Å |
| 511 | F | 92 | Very high | 91.2 | Very high | 139 Ų | 139 | 62.5 Ų | 62.5 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.9 | -55.1 | 175.9 | 174.3 | -103.7 | 0 | 0 | 0 | 111.6 | Q507 Y508 M513 S514 A517 | Q507-F511 WeakPolarHBondContact O-CB 3.41Å; Q507-F511 PolarHBondContact O-N 2.93Å; Y508-F511 WeakPolarHBondContact O-CB 3.38Å; Y508-F511 PolarHBondContact O-N 3.44Å; F511-M513 PolarHBondContact O-N 2.9Å; F511-S514 VanDerWaalsContact O-CB 3.24Å; F511-S514 WeakPolarHBondContact O-CB 3.49Å; F511-S514 PolarHBondContact O-N 3.44Å; F511-S514 PolarHBondContact O-OG 2.68Å; F511-A517 WeakPolarHBondContact O-CB 3.22Å |
| 512 | I | 92.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -25.9 | -178.6 | 65.5 | 168.3 | 0 | 0 | 0 | 112.6 | Y508 A509 S514 R518 I521 L818 L867 P870 | Y508-I512 HydrophobicContact CD1-CD1 4.39Å; Y508-I512 HydrophobicContact CD2-CG2 4.4Å; Y508-I512 HydrophobicContact CE1-CD1 3.95Å; Y508-I512 HydrophobicContact CE1-CG2 4.16Å; Y508-I512 HydrophobicContact CE2-CG2 3.96Å; Y508-I512 PolarHBondContact O-N 2.82Å; A509-I512 WeakPolarHBondContact O-CG1 3.16Å; I512-S514 VanDerWaalsContact C-N 3.34Å; I512-R518 WeakPolarHBondContact O-CG 3.33Å; I512-I521 HydrophobicContact CB-CD1 3.99Å; I512-I521 HydrophobicContact CG2-CD1 4.26Å; I512-L818 HydrophobicContact CD1-CD1 3.52Å; I512-L867 HydrophobicContact CG2-CD1 4.28Å; I512-P870 HydrophobicContact CD1-CB 4.01Å |
| 513 | M | 90.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.3 | 177.2 | -65.4 | -63.3 | 125.6 | 0 | 0 | 113.3 | A509 T510 F511 R518 I811 I814 P870 T874 | A509-M513 WeakPolarHBondContact O-CB 3.3Å; A509-M513 WeakPolarHBondContact O-CG 3.33Å; A509-M513 PolarHBondContact O-N 3.41Å; A509-M513 VanDerWaalsContact O-N 3.14Å; T510-M513 PolarHBondContact O-N 3.5Å; F511-M513 PolarHBondContact O-N 2.9Å; M513-R518 PolarHBondContact O-NE 3.26Å; M513-R518 PolarHBondContact SD-NH2 2.98Å; M513-I811 HydrophobicContact CB-CG2 4.41Å; M513-I811 HydrophobicContact CG-CG2 4.24Å; M513-I814 HydrophobicContact CE-CG2 4.17Å; M513-I814 HydrophobicContact CG-CG2 4.31Å; M513-I814 HydrophobicContact SD-CG2 4.07Å; M513-P870 HydrophobicContact CE-CB 4.13Å; M513-T874 HydrophobicContact CE-CG2 3.87Å; M513-T874 HydrophobicContact SD-CG2 3.48Å; M513-T874 WeakPolarHBondContact SD-CG2 3.43Å |
| 514 | S | 91.5 | Very high | 92.4 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -66.5 | 149.9 | 172.7 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | T510 F511 I512 H516 A517 R518 | T510-S514 PolarHBondContact O-N 3.31Å; F511-S514 VanDerWaalsContact O-CB 3.24Å; F511-S514 WeakPolarHBondContact O-CB 3.49Å; F511-S514 PolarHBondContact O-N 3.44Å; F511-S514 PolarHBondContact O-OG 2.68Å; I512-S514 VanDerWaalsContact C-N 3.34Å; S514-H516 VanDerWaalsContact C-N 3.3Å; S514-H516 PolarHBondContact O-N 2.73Å; S514-A517 PolarHBondContact O-N 3.04Å; S514-A517 WeakPolarHBondContact OG-CB 3.31Å; S514-A517 PolarHBondContact OG-N 3.39Å; S514-R518 WeakPolarHBondContact O-CG 2.97Å; S514-R518 PolarHBondContact O-N 2.96Å |
| 515 | K | 90.5 | Very high | 92.7 | Very high | 188 Ų | 188 | 65.8 Ų | 65.8 | 82% | 0.817 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.5 | -42.5 | -177.3 | -67.6 | -177.5 | -178.7 | 178.5 | 0 | 112.5 | F519 | K515-F519 PolarHBondContact O-N 2.93Å |
| 516 | H | 93.3 | Very high | 93.1 | Very high | 154 Ų | 154 | 68.2 Ų | 68.2 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.3 | -44.9 | 179.4 | -57.8 | -60.3 | 0 | 0 | 0 | 111.8 | S514 R518 F519 L520 | S514-H516 VanDerWaalsContact C-N 3.3Å; S514-H516 PolarHBondContact O-N 2.73Å; H516-R518 PolarHBondContact O-N 2.99Å; H516-F519 PolarHBondContact O-N 2.71Å; H516-L520 WeakPolarHBondContact O-CG 3.17Å; H516-L520 PolarHBondContact O-N 3.32Å |
| 517 | A | 93.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 71.7 Ų | 71.7 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F511 S514 F519 L520 I521 | F511-A517 WeakPolarHBondContact O-CB 3.22Å; S514-A517 PolarHBondContact O-N 3.04Å; S514-A517 WeakPolarHBondContact OG-CB 3.31Å; S514-A517 PolarHBondContact OG-N 3.39Å; A517-F519 VanDerWaalsContact C-N 3.31Å; A517-F519 PolarHBondContact O-N 2.97Å; A517-L520 PolarHBondContact O-N 2.81Å; A517-I521 WeakPolarHBondContact O-CB 3.49Å; A517-I521 WeakPolarHBondContact O-CD1 3.22Å; A517-I521 WeakPolarHBondContact O-CG1 3.14Å; A517-I521 PolarHBondContact O-N 3.31Å |
| 518 | R | 93.5 | Very high | 94 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 175.6 | -71 | -178.6 | 178.9 | -170 | -2.2 | 112.3 | I512 M513 S514 H516 A522 L871 E878 | I512-R518 WeakPolarHBondContact O-CG 3.33Å; M513-R518 PolarHBondContact O-NE 3.26Å; M513-R518 PolarHBondContact SD-NH2 2.98Å; S514-R518 WeakPolarHBondContact O-CG 2.97Å; S514-R518 PolarHBondContact O-N 2.96Å; H516-R518 PolarHBondContact O-N 2.99Å; R518-A522 WeakPolarHBondContact O-CB 3.18Å; R518-A522 PolarHBondContact O-N 2.9Å; R518-L871 HydrophobicContact CB-CD1 3.75Å; R518-L871 HydrophobicContact CG-CD1 3.66Å; R518-E878 IonicContact CZ-OE1 3.44Å; R518-E878 VanDerWaalsContact CZ-OE1 3.31Å; R518-E878 IonicContact NH1-OE1 3.89Å; R518-E878 PolarHBondContact NH1-OE1 2.79Å; R518-E878 IonicContact NH1-OE2 3.22Å; R518-E878 PolarHBondContact NH1-OE2 2.96Å; R518-E878 IonicContact NH2-OE1 3.39Å; R518-E878 PolarHBondContact NH2-OE1 2.69Å |
| 519 | F | 94.2 | Very high | 94 | Very high | 148 Ų | 148 | 65.3 Ų | 65.3 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -45.8 | 176.1 | 178.2 | -97.8 | 0 | 0 | 0 | 111.8 | K515 H516 A517 I521 A522 L523 | K515-F519 PolarHBondContact O-N 2.93Å; H516-F519 PolarHBondContact O-N 2.71Å; A517-F519 VanDerWaalsContact C-N 3.31Å; A517-F519 PolarHBondContact O-N 2.97Å; F519-I521 PolarHBondContact O-N 2.74Å; F519-A522 PolarHBondContact O-N 3.31Å; F519-L523 WeakPolarHBondContact O-CB 3.47Å; F519-L523 PolarHBondContact O-N 3.01Å |
| 520 | L | 95.8 | Very high | 94.3 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 55% | 0.55 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.7 | -70.4 | 172.5 | 0 | 0 | 0 | 112.5 | H516 A517 L523 L524 | H516-L520 WeakPolarHBondContact O-CG 3.17Å; H516-L520 PolarHBondContact O-N 3.32Å; A517-L520 PolarHBondContact O-N 2.81Å; L520-L523 PolarHBondContact O-N 2.86Å; L520-L524 WeakPolarHBondContact O-CB 3.48Å; L520-L524 PolarHBondContact O-N 2.78Å |
| 521 | I | 96 | Very high | 94.6 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 177.1 | -66.4 | 165.7 | 0 | 0 | 0 | 110.6 | I512 A517 F519 L524 F525 L867 F868 L871 | I512-I521 HydrophobicContact CB-CD1 3.99Å; I512-I521 HydrophobicContact CG2-CD1 4.26Å; A517-I521 WeakPolarHBondContact O-CB 3.49Å; A517-I521 WeakPolarHBondContact O-CD1 3.22Å; A517-I521 WeakPolarHBondContact O-CG1 3.14Å; A517-I521 PolarHBondContact O-N 3.31Å; F519-I521 PolarHBondContact O-N 2.74Å; I521-L524 PolarHBondContact O-N 3.5Å; I521-F525 PolarHBondContact O-N 2.74Å; I521-L867 HydrophobicContact CB-CG 4.46Å; I521-L867 HydrophobicContact CD1-CD1 3.63Å; I521-L867 HydrophobicContact CD1-CG 4.01Å; I521-L867 HydrophobicContact CG1-CD1 3.77Å; I521-L867 HydrophobicContact CG1-CD2 4.17Å; I521-L867 HydrophobicContact CG1-CG 3.83Å; I521-L867 HydrophobicContact CG2-CD2 4.18Å; I521-L867 HydrophobicContact CG2-CG 3.8Å; I521-F868 HydrophobicContact CG2-CD1 3.74Å; I521-F868 HydrophobicContact CG2-CE1 4.17Å; I521-L871 HydrophobicContact CB-CD2 4.05Å; I521-L871 HydrophobicContact CG2-CB 4.26Å; I521-L871 HydrophobicContact CG2-CD2 3.64Å |
| 522 | A | 94.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 34% | 0.339 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | R518 F519 F525 V526 L871 | R518-A522 WeakPolarHBondContact O-CB 3.18Å; R518-A522 PolarHBondContact O-N 2.9Å; F519-A522 PolarHBondContact O-N 3.31Å; A522-F525 PolarHBondContact O-N 2.94Å; A522-V526 WeakPolarHBondContact O-CG2 3.31Å; A522-V526 PolarHBondContact O-N 3.03Å; A522-L871 HydrophobicContact CB-CD2 4.11Å |
| 523 | L | 96.4 | Very high | 94.8 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 42% | 0.424 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.7 | -179.7 | 65.3 | 0 | 0 | 0 | 111.4 | F519 L520 F525 V526 L527 | F519-L523 WeakPolarHBondContact O-CB 3.47Å; F519-L523 PolarHBondContact O-N 3.01Å; L520-L523 PolarHBondContact O-N 2.86Å; L523-F525 VanDerWaalsContact C-N 3.3Å; L523-F525 PolarHBondContact O-N 3.21Å; L523-V526 PolarHBondContact O-N 3.19Å; L523-L527 HydrophobicContact CG-CD1 4.33Å; L523-L527 WeakPolarHBondContact O-CG 3.28Å; L523-L527 PolarHBondContact O-N 3.23Å |
| 524 | L | 96.7 | Very high | 95 | Very high | 83 Ų | 83 | 71.8 Ų | 71.8 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 176.7 | -176.6 | 67.4 | 0 | 0 | 0 | 111.6 | L520 I521 L527 Y528 L867 F868 | L520-L524 WeakPolarHBondContact O-CB 3.48Å; L520-L524 PolarHBondContact O-N 2.78Å; I521-L524 PolarHBondContact O-N 3.5Å; L524-L527 PolarHBondContact O-N 3.41Å; L524-Y528 VanDerWaalsContact O-CB 3.24Å; L524-Y528 WeakPolarHBondContact O-CB 3.42Å; L524-Y528 PolarHBondContact O-N 3.05Å; L524-L867 HydrophobicContact CD2-CD2 3.71Å; L524-F868 HydrophobicContact CB-CE1 4.35Å; L524-F868 HydrophobicContact CD2-CE1 4.17Å; L524-F868 HydrophobicContact CD2-CZ 4.26Å; L524-F868 HydrophobicContact CG-CE1 4.21Å; L524-F868 HydrophobicContact CG-CZ 4.17Å |
| 525 | F | 96.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 69.7 Ų | 69.7 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.1 | -177.6 | -99.3 | 0 | 0 | 0 | 112.1 | I521 A522 L523 Y528 A529 F756 S760 F868 F872 | I521-F525 PolarHBondContact O-N 2.74Å; A522-F525 PolarHBondContact O-N 2.94Å; L523-F525 VanDerWaalsContact C-N 3.3Å; L523-F525 PolarHBondContact O-N 3.21Å; F525-Y528 HydrophobicContact CD2-CD1 4.4Å; F525-Y528 HydrophobicContact CE2-CD1 4.41Å; F525-Y528 WeakPolarHBondContact O-CB 3.45Å; F525-Y528 PolarHBondContact O-N 3.47Å; F525-A529 WeakPolarHBondContact O-CB 3.36Å; F525-A529 PolarHBondContact O-N 2.91Å; F525-F756 HydrophobicContact CE1-CE1 4.09Å; F525-F756 AromaticContact CE1-CZ 3.95Å; F525-F756 HydrophobicContact CE1-CZ 3.95Å; F525-F756 HydrophobicContact CE2-CE1 4.21Å; F525-F756 AromaticContact CZ-CE1 3.47Å; F525-F756 HydrophobicContact CZ-CE1 3.47Å; F525-F756 VanDerWaalsContact CZ-CE1 3.47Å; F525-F756 AromaticContact CZ-CZ 3.54Å; F525-F756 HydrophobicContact CZ-CZ 3.54Å; F525-S760 WeakPolarHBondContact CE2-OG 3.34Å; F525-F868 HydrophobicContact CB-CD1 3.92Å; F525-F868 HydrophobicContact CB-CE1 3.76Å; F525-F868 HydrophobicContact CB-CZ 4.21Å; F525-F868 HydrophobicContact CD2-CB 4.28Å; F525-F868 HydrophobicContact CD2-CD1 4.02Å; F525-F868 AromaticContact CD2-CD2 3.72Å; F525-F868 HydrophobicContact CD2-CD2 3.72Å; F525-F868 HydrophobicContact CD2-CE1 4.25Å; F525-F868 AromaticContact CD2-CE2 3.95Å; F525-F868 HydrophobicContact CD2-CE2 3.95Å; F525-F868 AromaticContact CD2-CG 3.77Å; F525-F868 HydrophobicContact CD2-CG 3.77Å; F525-F868 HydrophobicContact CD2-CZ 4.22Å; F525-F868 HydrophobicContact CE2-CD2 4.34Å; F525-F868 HydrophobicContact CG-CD1 4.43Å; F525-F872 AromaticContact CD1-CZ 3.84Å; F525-F872 HydrophobicContact CD1-CZ 3.84Å; F525-F872 HydrophobicContact CD2-CE2 4.23Å; F525-F872 AromaticContact CD2-CZ 3.97Å; F525-F872 HydrophobicContact CD2-CZ 3.97Å; F525-F872 AromaticContact CE1-CZ 3.86Å; F525-F872 HydrophobicContact CE1-CZ 3.86Å; F525-F872 HydrophobicContact CE2-CE2 4.06Å; F525-F872 AromaticContact CE2-CZ 3.99Å; F525-F872 HydrophobicContact CE2-CZ 3.99Å; F525-F872 AromaticContact CG-CZ 3.89Å; F525-F872 HydrophobicContact CG-CZ 3.89Å; F525-F872 HydrophobicContact CZ-CE2 4.28Å; F525-F872 AromaticContact CZ-CZ 3.96Å; F525-F872 HydrophobicContact CZ-CZ 3.96Å |
| 526 | V | 96.4 | Very high | 95.1 | Very high | 84 Ų | 84 | 61.8 Ų | 61.8 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | A522 L523 Y528 A529 V530 | A522-V526 WeakPolarHBondContact O-CG2 3.31Å; A522-V526 PolarHBondContact O-N 3.03Å; L523-V526 PolarHBondContact O-N 3.19Å; V526-Y528 VanDerWaalsContact C-N 3.35Å; V526-Y528 PolarHBondContact O-N 3.27Å; V526-A529 PolarHBondContact O-N 3.02Å; V526-V530 WeakPolarHBondContact O-CG2 3.21Å; V526-V530 PolarHBondContact O-N 2.91Å |
| 527 | L | 96.9 | Very high | 95 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 55% | 0.55 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.4 | -70.5 | 174 | 0 | 0 | 0 | 111.8 | L523 L524 V530 A531 | L523-L527 HydrophobicContact CG-CD1 4.33Å; L523-L527 WeakPolarHBondContact O-CG 3.28Å; L523-L527 PolarHBondContact O-N 3.23Å; L524-L527 PolarHBondContact O-N 3.41Å; L527-V530 PolarHBondContact O-N 3.17Å; L527-A531 WeakPolarHBondContact O-CB 3.4Å; L527-A531 PolarHBondContact O-N 2.87Å |
| 528 | Y | 97.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 60.4 Ų | 60.4 | 8% | 0.078 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57 | -51 | 173.1 | 164.1 | -95.3 | 0 | 0 | 0 | 111.2 | L524 F525 V526 V530 A531 S532 S760 G764 F768 L860 H864 F868 | L524-Y528 VanDerWaalsContact O-CB 3.24Å; L524-Y528 WeakPolarHBondContact O-CB 3.42Å; L524-Y528 PolarHBondContact O-N 3.05Å; F525-Y528 HydrophobicContact CD2-CD1 4.4Å; F525-Y528 HydrophobicContact CE2-CD1 4.41Å; F525-Y528 WeakPolarHBondContact O-CB 3.45Å; F525-Y528 PolarHBondContact O-N 3.47Å; V526-Y528 VanDerWaalsContact C-N 3.35Å; V526-Y528 PolarHBondContact O-N 3.27Å; Y528-V530 VanDerWaalsContact C-N 3.33Å; Y528-V530 PolarHBondContact O-N 3.01Å; Y528-A531 PolarHBondContact O-N 3.03Å; Y528-S532 WeakPolarHBondContact O-CB 3.49Å; Y528-S532 PolarHBondContact O-N 3.46Å; Y528-S532 PolarHBondContact O-OG 3.11Å; Y528-S760 WeakPolarHBondContact CE1-OG 3.45Å; Y528-S760 PolarHBondContact OH-O 3Å; Y528-G764 VanDerWaalsContact OH-CA 3.25Å; Y528-G764 WeakPolarHBondContact OH-CA 3.46Å; Y528-F768 AromaticContact CD2-CE2 3.68Å; Y528-F768 HydrophobicContact CD2-CE2 3.68Å; Y528-F768 HydrophobicContact CD2-CZ 4.31Å; Y528-F768 HydrophobicContact CE2-CD2 4.27Å; Y528-F768 AromaticContact CE2-CE2 3.65Å; Y528-F768 HydrophobicContact CE2-CE2 3.65Å; Y528-L860 HydrophobicContact CD2-CD2 4.27Å; Y528-L860 HydrophobicContact CE2-CD1 4.2Å; Y528-L860 HydrophobicContact CE2-CD2 3.6Å; Y528-L860 HydrophobicContact CE2-CG 4.47Å; Y528-H864 AromaticContact CE1-CE1 3.68Å; Y528-H864 AromaticContact CE1-NE2 3.67Å; Y528-H864 AromaticContact CZ-CE1 3.48Å; Y528-H864 VanDerWaalsContact CZ-CE1 3.48Å; Y528-H864 AromaticContact CZ-NE2 3.9Å; Y528-H864 PolarHBondContact OH-CE1 2.9Å; Y528-H864 VanDerWaalsContact OH-CE1 3.31Å; Y528-F868 HydrophobicContact CD1-CE2 4.46Å; Y528-F868 HydrophobicContact CG-CE2 4.47Å |
| 529 | A | 95 | Very high | 94.1 | Very high | 18 Ų | 18 | 61 Ų | 61 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F525 V526 S532 V533 | F525-A529 WeakPolarHBondContact O-CB 3.36Å; F525-A529 PolarHBondContact O-N 2.91Å; V526-A529 PolarHBondContact O-N 3.02Å; A529-S532 PolarHBondContact O-N 3.22Å; A529-V533 VanDerWaalsContact O-CG2 3.31Å; A529-V533 WeakPolarHBondContact O-CG2 3.49Å; A529-V533 PolarHBondContact O-N 3.42Å |
| 530 | V | 96.7 | Very high | 93.4 | Very high | 96 Ų | 96 | 62.3 Ų | 62.3 | 58% | 0.582 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | V526 L527 Y528 V533 Y534 | V526-V530 WeakPolarHBondContact O-CG2 3.21Å; V526-V530 PolarHBondContact O-N 2.91Å; L527-V530 PolarHBondContact O-N 3.17Å; Y528-V530 VanDerWaalsContact C-N 3.33Å; Y528-V530 PolarHBondContact O-N 3.01Å; V530-V533 PolarHBondContact O-N 2.93Å; V530-Y534 WeakPolarHBondContact O-CB 3.45Å; V530-Y534 PolarHBondContact O-N 2.95Å |
| 531 | A | 96 | Very high | 92.6 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L527 Y528 Y534 G535 F768 | L527-A531 WeakPolarHBondContact O-CB 3.4Å; L527-A531 PolarHBondContact O-N 2.87Å; Y528-A531 PolarHBondContact O-N 3.03Å; A531-Y534 PolarHBondContact O-N 3.39Å; A531-G535 PolarHBondContact O-N 2.78Å; A531-F768 HydrophobicContact CB-CE1 4.47Å; A531-F768 HydrophobicContact CB-CZ 3.93Å |
| 532 | S | 95.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | Y528 A529 Y534 G535 C536 G764 G767 | Y528-S532 WeakPolarHBondContact O-CB 3.49Å; Y528-S532 PolarHBondContact O-N 3.46Å; Y528-S532 PolarHBondContact O-OG 3.11Å; A529-S532 PolarHBondContact O-N 3.22Å; S532-Y534 PolarHBondContact O-N 3.34Å; S532-G535 PolarHBondContact O-N 3.43Å; S532-C536 PolarHBondContact O-N 3.23Å; S532-C536 PolarHBondContact O-SG 3.19Å; S532-G764 VanDerWaalsContact OG-CA 3.32Å; S532-G764 WeakPolarHBondContact OG-CA 3.49Å; S532-G767 WeakPolarHBondContact O-CA 3.43Å |
| 533 | V | 94.4 | Very high | 90 | Very high | 67 Ų | 67 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | A529 V530 G535 C536 M537 | A529-V533 VanDerWaalsContact O-CG2 3.31Å; A529-V533 WeakPolarHBondContact O-CG2 3.49Å; A529-V533 PolarHBondContact O-N 3.42Å; V530-V533 PolarHBondContact O-N 2.93Å; V533-G535 VanDerWaalsContact C-N 3.32Å; V533-G535 PolarHBondContact O-N 2.96Å; V533-C536 PolarHBondContact O-N 3.44Å; V533-M537 WeakPolarHBondContact O-CG 3.28Å; V533-M537 PolarHBondContact O-N 2.74Å; V533-M537 VanDerWaalsContact O-N 3.11Å |
| 534 | Y | 95 | Very high | 88.9 | Confident | 162 Ų | 162 | 54.4 Ų | 54.4 | 64% | 0.635 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59 | -43.6 | 175.6 | 176.7 | -102.1 | 0 | 0 | 0 | 111.9 | V530 A531 S532 M537 L771 | V530-Y534 WeakPolarHBondContact O-CB 3.45Å; V530-Y534 PolarHBondContact O-N 2.95Å; A531-Y534 PolarHBondContact O-N 3.39Å; S532-Y534 PolarHBondContact O-N 3.34Å; Y534-M537 WeakPolarHBondContact O-CB 3.36Å; Y534-M537 PolarHBondContact O-N 2.99Å; Y534-L771 HydrophobicContact CD1-CD2 3.88Å; Y534-L771 HydrophobicContact CE1-CD2 3.88Å |
| 535 | G | 92.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A531 S532 V533 M537 G538 G767 T770 | A531-G535 PolarHBondContact O-N 2.78Å; S532-G535 PolarHBondContact O-N 3.43Å; V533-G535 VanDerWaalsContact C-N 3.32Å; V533-G535 PolarHBondContact O-N 2.96Å; G535-M537 PolarHBondContact O-N 3.18Å; G535-G538 WeakPolarHBondContact O-CA 3.49Å; G535-G538 PolarHBondContact O-N 2.95Å; G535-G767 WeakPolarHBondContact CA-O 3.48Å; G535-T770 WeakPolarHBondContact CA-OG1 3.43Å; G535-T770 PolarHBondContact O-OG1 2.91Å |
| 536 | C | 91.5 | Very high | 86.8 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -27.5 | 176.7 | -70 | 0 | 0 | 0 | 0 | 112.8 | S532 V533 G538 I539 L763 | S532-C536 PolarHBondContact O-N 3.23Å; S532-C536 PolarHBondContact O-SG 3.19Å; V533-C536 PolarHBondContact O-N 3.44Å; C536-G538 PolarHBondContact O-N 3.37Å; C536-I539 VanDerWaalsContact O-CD1 3.28Å; C536-I539 WeakPolarHBondContact O-CD1 3.32Å; C536-I539 VanDerWaalsContact O-CG1 3.3Å; C536-I539 WeakPolarHBondContact O-CG1 3.32Å; C536-L763 PolarHBondContact SG-O 3.36Å |
| 537 | M | 90.1 | Very high | 86.1 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 42% | 0.419 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.3 | -19.1 | 173.5 | -66 | 175.3 | 70.6 | 0 | 0 | 112.9 | V533 Y534 G535 K949 | V533-M537 WeakPolarHBondContact O-CG 3.28Å; V533-M537 PolarHBondContact O-N 2.74Å; V533-M537 VanDerWaalsContact O-N 3.11Å; Y534-M537 WeakPolarHBondContact O-CB 3.36Å; Y534-M537 PolarHBondContact O-N 2.99Å; G535-M537 PolarHBondContact O-N 3.18Å; M537-K949 PolarHBondContact O-NZ 3.11Å |
| 538 | G | 84.7 | Confident | 85.2 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 18.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | G535 C536 R540 | G535-G538 WeakPolarHBondContact O-CA 3.49Å; G535-G538 PolarHBondContact O-N 2.95Å; C536-G538 PolarHBondContact O-N 3.37Å; G538-R540 PolarHBondContact O-N 3.13Å |
| 539 | I | 84.7 | Confident | 84.6 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | trans | -57.7 | 129.1 | -178.2 | -67.4 | 165.7 | 0 | 0 | 0 | 111.4 | C536 E541 I766 T770 M776 | C536-I539 VanDerWaalsContact O-CD1 3.28Å; C536-I539 WeakPolarHBondContact O-CD1 3.32Å; C536-I539 VanDerWaalsContact O-CG1 3.3Å; C536-I539 WeakPolarHBondContact O-CG1 3.32Å; I539-E541 HydrophobicContact CG2-CG 4.26Å; I539-I766 HydrophobicContact CD1-CG2 3.89Å; I539-I766 HydrophobicContact CG1-CG2 4.32Å; I539-T770 HydrophobicContact CB-CG2 4.17Å; I539-T770 HydrophobicContact CG1-CG2 3.63Å; I539-M776 HydrophobicContact CD1-SD 4.49Å; I539-M776 HydrophobicContact CG2-CB 3.94Å; I539-M776 HydrophobicContact CG2-SD 3.64Å | ||
| 540 | R | 79.5 | Confident | 84 | Confident | 174 Ų | 174 | 44 Ų | 44 | 66% | 0.657 | 22% | 0.224 | S | C | * | . | trans | -105.5 | 118.4 | 170 | -64.2 | -178.8 | -178.3 | -176.6 | -0.8 | 108.4 | G538 M776 | G538-R540 PolarHBondContact O-N 3.13Å; R540-M776 PolarHBondContact O-N 3.41Å | ||
| 541 | E | 77.9 | Confident | 83.4 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -87.9 | 142.9 | -178.2 | -66.8 | 172.6 | -166.7 | 0 | 0 | 111.3 | I539 R688 L723 | I539-E541 HydrophobicContact CG2-CG 4.26Å; E541-R688 IonicContact OE2-CZ 2.86Å; E541-R688 IonicContact OE2-NH1 2.71Å; E541-R688 PolarHBondContact OE2-NH1 2.91Å; E541-L723 WeakPolarHBondContact OE1-CD2 3.46Å |
| 542 | G | 68.1 | Low | 82.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | 104.7 | 150.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | N775 M776 | G542-N775 PolarHBondContact O-ND2 3.17Å; G542-M776 PolarHBondContact N-O 3.25Å | ||
| 543 | L | 68 | Low | 82.5 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | trans | -106.8 | 115 | 174 | -166.3 | 54.6 | 0 | 0 | 0 | 108.9 | Y54 K547 L548 Y719 D777 Y845 | Y54-L543 HydrophobicContact CD1-CD2 4.46Å; L543-K547 HydrophobicContact CD1-CB 3.85Å; L543-L548 HydrophobicContact CD1-CG 4.43Å; L543-L548 HydrophobicContact CD2-CD1 3.96Å; L543-L548 HydrophobicContact CD2-CD2 3.39Å; L543-L548 HydrophobicContact CD2-CG 3.56Å; L543-L548 HydrophobicContact CG-CD1 4.48Å; L543-L548 HydrophobicContact CG-CD2 4.3Å; L543-L548 HydrophobicContact CG-CG 4.01Å; L543-Y719 PolarHBondContact O-OH 3.29Å; L543-D777 HydrophobicContact CB-CB 3.73Å; L543-D777 HydrophobicContact CD1-CB 3.84Å; L543-D777 HydrophobicContact CD2-CB 4.28Å; L543-D777 HydrophobicContact CG-CB 4.16Å; L543-Y845 HydrophobicContact CD1-CE1 4.22Å | ||
| 544 | E | 74.9 | Confident | 82.2 | Confident | 25 Ų | 25 | 46.2 Ų | 46.2 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | trans | -72.5 | 138.9 | 165.2 | -70.7 | 138.1 | -145 | 0 | 0 | 108.5 | Y546 K547 T684 | E544-Y546 HydrophobicContact CB-CD1 3.7Å; E544-Y546 HydrophobicContact CB-CE1 3.64Å; E544-Y546 HydrophobicContact CG-CE1 4.09Å; E544-Y546 PolarHBondContact O-N 3.09Å; E544-Y546 WeakPolarHBondContact OE2-CE1 3.5Å; E544-Y546 PolarHBondContact OE2-OH 2.98Å; E544-K547 HydrophobicContact CB-CD 4.23Å; E544-K547 HydrophobicContact CB-CG 4.35Å; E544-K547 WeakPolarHBondContact O-CB 3.3Å; E544-K547 PolarHBondContact O-N 3.01Å; E544-K547 IonicContact OE1-NZ 2.69Å; E544-K547 PolarHBondContact OE1-NZ 3.19Å; E544-K547 WeakPolarHBondContact OE2-CD 3.21Å; E544-K547 WeakPolarHBondContact OE2-CE 3.34Å; E544-K547 IonicContact OE2-NZ 3.75Å; E544-K547 PolarHBondContact OE2-NZ 3.48Å; E544-T684 HydrophobicContact CG-CG2 4.48Å | ||
| 545 | P | 72.2 | Confident | 82 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -52.5 | -35.6 | -177.8 | -29.7 | 35.3 | 0 | 0 | 0 | 113.9 | K547 L548 Y559 Y715 | P545-K547 VanDerWaalsContact C-N 3.28Å; P545-K547 PolarHBondContact O-N 3.34Å; P545-L548 WeakPolarHBondContact O-CB 3.49Å; P545-L548 PolarHBondContact O-N 2.76Å; P545-Y559 HydrophobicContact CB-CE1 4.24Å; P545-Y559 HydrophobicContact CB-CE2 4.2Å; P545-Y715 HydrophobicContact CG-CD1 4.4Å |
| 546 | Y | 76.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 38.9 Ų | 38.9 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -69.7 | -22.6 | -179.5 | 82.1 | -97.2 | 0 | 0 | 0 | 113.7 | E544 L548 L549 | E544-Y546 HydrophobicContact CB-CD1 3.7Å; E544-Y546 HydrophobicContact CB-CE1 3.64Å; E544-Y546 HydrophobicContact CG-CE1 4.09Å; E544-Y546 PolarHBondContact O-N 3.09Å; E544-Y546 WeakPolarHBondContact OE2-CE1 3.5Å; E544-Y546 PolarHBondContact OE2-OH 2.98Å; Y546-L548 PolarHBondContact O-N 3.12Å; Y546-L549 WeakPolarHBondContact O-CB 3.29Å; Y546-L549 PolarHBondContact O-N 3.06Å |
| 547 | K | 82.3 | Confident | 81.7 | Confident | 32 Ų | 32 | 39.6 Ų | 39.6 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -72.8 | -17.2 | 177.5 | -73.2 | 175.4 | 173.4 | 152.9 | 0 | 112.4 | L543 E544 P545 L549 N775 Y845 | L543-K547 HydrophobicContact CD1-CB 3.85Å; E544-K547 HydrophobicContact CB-CD 4.23Å; E544-K547 HydrophobicContact CB-CG 4.35Å; E544-K547 WeakPolarHBondContact O-CB 3.3Å; E544-K547 PolarHBondContact O-N 3.01Å; E544-K547 IonicContact OE1-NZ 2.69Å; E544-K547 PolarHBondContact OE1-NZ 3.19Å; E544-K547 WeakPolarHBondContact OE2-CD 3.21Å; E544-K547 WeakPolarHBondContact OE2-CE 3.34Å; E544-K547 IonicContact OE2-NZ 3.75Å; E544-K547 PolarHBondContact OE2-NZ 3.48Å; P545-K547 VanDerWaalsContact C-N 3.28Å; P545-K547 PolarHBondContact O-N 3.34Å; K547-L549 PolarHBondContact O-N 2.85Å; K547-N775 PolarHBondContact NZ-ND2 2.87Å; K547-Y845 HydrophobicContact CB-CD1 3.78Å; K547-Y845 HydrophobicContact CB-CE1 4.15Å; K547-Y845 HydrophobicContact CB-CG 4.21Å; K547-Y845 HydrophobicContact CG-CD1 4.48Å; K547-Y845 WeakPolarHBondContact O-CB 3.41Å; K547-Y845 VanDerWaalsContact O-CD1 3.26Å; K547-Y845 WeakPolarHBondContact O-CD1 3.25Å |
| 548 | L | 78.1 | Confident | 81.7 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -70.5 | -19.9 | 171.3 | -74.2 | 167.1 | 0 | 0 | 0 | 112.7 | Y54 L254 N257 L543 P545 Y546 V779 | Y54-L548 HydrophobicContact CD1-CD2 4.09Å; Y54-L548 HydrophobicContact CD2-CD1 4Å; Y54-L548 HydrophobicContact CE1-CD2 3.69Å; Y54-L548 HydrophobicContact CE2-CD1 4.2Å; Y54-L548 HydrophobicContact CE2-CD2 4.19Å; Y54-L548 HydrophobicContact CG-CD1 4.21Å; Y54-L548 HydrophobicContact CG-CD2 4.48Å; L254-L548 HydrophobicContact CD1-CB 4.22Å; N257-L548 PolarHBondContact ND2-O 3.29Å; L543-L548 HydrophobicContact CD1-CG 4.43Å; L543-L548 HydrophobicContact CD2-CD1 3.96Å; L543-L548 HydrophobicContact CD2-CD2 3.39Å; L543-L548 HydrophobicContact CD2-CG 3.56Å; L543-L548 HydrophobicContact CG-CD1 4.48Å; L543-L548 HydrophobicContact CG-CD2 4.3Å; L543-L548 HydrophobicContact CG-CG 4.01Å; P545-L548 WeakPolarHBondContact O-CB 3.49Å; P545-L548 PolarHBondContact O-N 2.76Å; Y546-L548 PolarHBondContact O-N 3.12Å; L548-V779 HydrophobicContact CD2-CG2 4.39Å |
| 549 | L | 83.5 | Confident | 82 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -91.5 | 154.4 | -168.1 | -53.5 | 174.4 | 0 | 0 | 0 | 112.2 | L250 E253 Y546 K547 V555 | L250-L549 HydrophobicContact CD1-CD1 4.18Å; L250-L549 HydrophobicContact CD1-CD2 3.65Å; L250-L549 HydrophobicContact CD1-CG 4.16Å; E253-L549 HydrophobicContact CB-CD2 3.77Å; E253-L549 HydrophobicContact CG-CB 4.09Å; E253-L549 HydrophobicContact CG-CD1 4.36Å; E253-L549 HydrophobicContact CG-CD2 3.54Å; E253-L549 HydrophobicContact CG-CG 4.19Å; Y546-L549 WeakPolarHBondContact O-CB 3.29Å; Y546-L549 PolarHBondContact O-N 3.06Å; K547-L549 PolarHBondContact O-N 2.85Å; L549-V555 HydrophobicContact CD1-CB 3.71Å; L549-V555 HydrophobicContact CD1-CG1 3.57Å |
| 550 | P | 83.5 | Confident | 82.1 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -53.9 | 146.2 | 164.4 | -20.1 | 28.9 | 0 | 0 | 0 | 112.6 | E253 R256 N257 G552 S553 G843 | E253-P550 VanDerWaalsContact OE1-CD 3.23Å; E253-P550 WeakPolarHBondContact OE1-CD 3.41Å; E253-P550 VanDerWaalsContact OE1-CG 3.24Å; E253-P550 WeakPolarHBondContact OE1-CG 3.46Å; R256-P550 HydrophobicContact CB-CG 4.34Å; N257-P550 WeakPolarHBondContact OD1-CG 3.31Å; P550-G552 PolarHBondContact O-N 3.32Å; P550-S553 VanDerWaalsContact O-CB 3.26Å; P550-S553 WeakPolarHBondContact O-CB 3.34Å; P550-S553 PolarHBondContact O-N 3.47Å; P550-S553 VanDerWaalsContact O-N 3.15Å; P550-G843 CarbonylContact C-O 3.43Å; P550-G843 VanDerWaalsContact CA-O 3.27Å; P550-G843 WeakPolarHBondContact CA-O 3.49Å |
| 551 | F | 83.6 | Confident | 82.6 | Confident | 114 Ų | 114 | 30.4 Ų | 30.4 | 50% | 0.5 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 136 | 170.7 | -60.2 | -58 | 0 | 0 | 0 | 110 | S553 G843 K848 | F551-S553 VanDerWaalsContact C-N 3.29Å; F551-G843 WeakPolarHBondContact CD2-O 3.27Å; F551-G843 PolarHBondContact N-O 3.02Å; F551-K848 HydrophobicContact CE2-CD 3.79Å; F551-K848 HydrophobicContact CZ-CD 4.26Å |
| 552 | G | 83.4 | Confident | 83.1 | Confident | 80 Ų | 80 | 28.7 Ų | 28.7 | 83% | 0.825 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 10.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P550 | P550-G552 PolarHBondContact O-N 3.32Š|
| 553 | S | 87.6 | Confident | 84 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | trans | -56.7 | 136.8 | 166.5 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | E253 P550 F551 V555 G556 A557 | E253-S553 WeakPolarHBondContact CG-OG 3.45Å; E253-S553 VanDerWaalsContact OE1-CB 3.3Å; E253-S553 WeakPolarHBondContact OE1-CB 3.3Å; P550-S553 VanDerWaalsContact O-CB 3.26Å; P550-S553 WeakPolarHBondContact O-CB 3.34Å; P550-S553 PolarHBondContact O-N 3.47Å; P550-S553 VanDerWaalsContact O-N 3.15Å; F551-S553 VanDerWaalsContact C-N 3.29Å; S553-V555 VanDerWaalsContact C-N 3.27Å; S553-V555 PolarHBondContact O-N 3.25Å; S553-V555 WeakPolarHBondContact OG-CB 3.28Å; S553-V555 PolarHBondContact OG-N 3.35Å; S553-G556 PolarHBondContact O-N 3.02Å; S553-G556 VanDerWaalsContact O-N 3.15Å; S553-G556 PolarHBondContact OG-N 3.42Å; S553-A557 PolarHBondContact O-N 3.37Å | ||
| 554 | Y | 89.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 37.5 Ų | 37.5 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -35.4 | 172.5 | 71.8 | -93.8 | 0 | 0 | 0 | 111.9 | E229 T233 V244 H246 A249 G556 A557 Y558 | E229-Y554 HydrophobicContact CG-CE1 4.19Å; E229-Y554 HydrophobicContact CG-CE2 4.12Å; E229-Y554 WeakPolarHBondContact OE1-CE1 2.93Å; E229-Y554 PolarHBondContact OE1-OH 3Å; E229-Y554 PolarHBondContact OE2-OH 3.17Å; T233-Y554 HydrophobicContact CG2-CD1 4.44Å; T233-Y554 HydrophobicContact CG2-CD2 4.31Å; T233-Y554 HydrophobicContact CG2-CG 4.01Å; V244-Y554 HydrophobicContact CB-CD2 4.29Å; V244-Y554 WeakPolarHBondContact O-CD2 3.32Å; H246-Y554 PolarHBondContact NE2-OH 3.08Å; A249-Y554 HydrophobicContact CB-CE2 4.17Å; Y554-G556 VanDerWaalsContact C-N 3.31Å; Y554-A557 PolarHBondContact O-N 2.86Å; Y554-Y558 PolarHBondContact O-N 3.36Å |
| 555 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | F245 A249 E253 L549 S553 A557 Y558 Y559 | F245-V555 HydrophobicContact CD2-CG1 4.03Å; F245-V555 HydrophobicContact CE2-CG1 4.16Å; A249-V555 HydrophobicContact CB-CG2 3.64Å; E253-V555 HydrophobicContact CB-CG2 4.27Å; L549-V555 HydrophobicContact CD1-CB 3.71Å; L549-V555 HydrophobicContact CD1-CG1 3.57Å; S553-V555 VanDerWaalsContact C-N 3.27Å; S553-V555 PolarHBondContact O-N 3.25Å; S553-V555 WeakPolarHBondContact OG-CB 3.28Å; S553-V555 PolarHBondContact OG-N 3.35Å; V555-A557 PolarHBondContact O-N 2.86Å; V555-Y558 WeakPolarHBondContact O-CB 3.23Å; V555-Y558 PolarHBondContact O-N 3.36Å; V555-Y559 HydrophobicContact CG1-CD2 3.71Å; V555-Y559 HydrophobicContact CG1-CE2 3.53Å; V555-Y559 WeakPolarHBondContact O-CD2 3.3Å; V555-Y559 PolarHBondContact O-N 2.92Å |
| 556 | G | 88.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S553 Y554 Y558 Y559 Q560 | S553-G556 PolarHBondContact O-N 3.02Å; S553-G556 VanDerWaalsContact O-N 3.15Å; S553-G556 PolarHBondContact OG-N 3.42Å; Y554-G556 VanDerWaalsContact C-N 3.31Å; G556-Y558 VanDerWaalsContact C-N 3.33Å; G556-Y558 PolarHBondContact O-N 2.81Å; G556-Y559 PolarHBondContact O-N 3.14Å; G556-Q560 WeakPolarHBondContact O-CG 3.49Å; G556-Q560 PolarHBondContact O-N 3.2Å |
| 557 | A | 88.3 | Confident | 86.8 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 31% | 0.314 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S553 Y554 V555 K561 | S553-A557 PolarHBondContact O-N 3.37Å; Y554-A557 PolarHBondContact O-N 2.86Å; V555-A557 PolarHBondContact O-N 2.86Å; A557-K561 WeakPolarHBondContact O-CG 3.45Å; A557-K561 PolarHBondContact O-N 2.7Å; A557-K561 VanDerWaalsContact O-N 3.17Å |
| 558 | Y | 91.8 | Very high | 87 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -51.4 | 174.1 | 171.9 | -96.6 | 0 | 0 | 0 | 112 | F92 F245 Y554 V555 G556 Q560 K561 M562 | F92-Y558 HydrophobicContact CB-CE2 4.18Å; F245-Y558 HydrophobicContact CB-CD1 3.64Å; F245-Y558 HydrophobicContact CB-CD2 3.67Å; F245-Y558 HydrophobicContact CB-CE1 3.67Å; F245-Y558 HydrophobicContact CB-CE2 3.72Å; F245-Y558 HydrophobicContact CB-CG 3.63Å; F245-Y558 AromaticContact CD1-CE1 3.86Å; F245-Y558 HydrophobicContact CD1-CE1 3.86Å; F245-Y558 AromaticContact CD2-CD1 3.72Å; F245-Y558 HydrophobicContact CD2-CD1 3.72Å; F245-Y558 AromaticContact CD2-CE1 3.8Å; F245-Y558 HydrophobicContact CD2-CE1 3.8Å; F245-Y558 HydrophobicContact CD2-CG 4.43Å; F245-Y558 HydrophobicContact CE1-CE1 4.5Å; F245-Y558 HydrophobicContact CE2-CE1 4.43Å; F245-Y558 AromaticContact CG-CD1 3.71Å; F245-Y558 HydrophobicContact CG-CD1 3.71Å; F245-Y558 AromaticContact CG-CE1 3.49Å; F245-Y558 HydrophobicContact CG-CE1 3.49Å; F245-Y558 VanDerWaalsContact CG-CE1 3.49Å; F245-Y558 HydrophobicContact CG-CE2 4.39Å; F245-Y558 HydrophobicContact CG-CG 4.24Å; F245-Y558 AromaticContact CG-CZ 3.86Å; Y554-Y558 PolarHBondContact O-N 3.36Å; V555-Y558 WeakPolarHBondContact O-CB 3.23Å; V555-Y558 PolarHBondContact O-N 3.36Å; G556-Y558 VanDerWaalsContact C-N 3.33Å; G556-Y558 PolarHBondContact O-N 2.81Å; Y558-Q560 PolarHBondContact O-N 3.15Å; Y558-K561 PolarHBondContact O-N 3.34Å; Y558-M562 HydrophobicContact CD1-CG 4.24Å; Y558-M562 HydrophobicContact CD2-CG 4.41Å; Y558-M562 HydrophobicContact CE1-CG 3.9Å; Y558-M562 HydrophobicContact CE2-CG 4.06Å; Y558-M562 HydrophobicContact CE2-SD 4.44Å; Y558-M562 HydrophobicContact CG-CG 4.49Å; Y558-M562 WeakPolarHBondContact O-CB 3.41Å; Y558-M562 VanDerWaalsContact O-CG 3.3Å; Y558-M562 WeakPolarHBondContact O-CG 3.43Å; Y558-M562 PolarHBondContact O-N 3.47Å |
| 559 | Y | 89.5 | Confident | 87.4 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 8% | 0.078 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 179.5 | -82.7 | -66.8 | 0 | 0 | 0 | 113 | F245 L250 P545 V555 G556 K561 M562 E563 W567 | F245-Y559 HydrophobicContact CE2-CE2 4.17Å; L250-Y559 HydrophobicContact CD1-CE2 4.26Å; P545-Y559 HydrophobicContact CB-CE1 4.24Å; P545-Y559 HydrophobicContact CB-CE2 4.2Å; V555-Y559 HydrophobicContact CG1-CD2 3.71Å; V555-Y559 HydrophobicContact CG1-CE2 3.53Å; V555-Y559 WeakPolarHBondContact O-CD2 3.3Å; V555-Y559 PolarHBondContact O-N 2.92Å; G556-Y559 PolarHBondContact O-N 3.14Å; Y559-K561 PolarHBondContact O-N 2.97Å; Y559-M562 WeakPolarHBondContact O-CB 3.31Å; Y559-M562 PolarHBondContact O-N 3.5Å; Y559-E563 WeakPolarHBondContact O-CB 3.5Å; Y559-E563 PolarHBondContact O-N 3.45Å; Y559-W567 HydrophobicContact CD1-CH2 4.26Å; Y559-W567 HydrophobicContact CD1-CZ2 4.13Å |
| 560 | Q | 88.4 | Confident | 87.4 | Confident | 107 Ų | 107 | 40.3 Ų | 40.3 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -42 | 177.3 | -74.4 | 177 | -4.1 | 0 | 0 | 112.4 | G556 Y558 K564 | G556-Q560 WeakPolarHBondContact O-CG 3.49Å; G556-Q560 PolarHBondContact O-N 3.2Å; Y558-Q560 PolarHBondContact O-N 3.15Å; Q560-K564 WeakPolarHBondContact O-CB 3.13Å; Q560-K564 PolarHBondContact O-N 3.33Å; Q560-K564 VanDerWaalsContact O-N 3.11Å |
| 561 | K | 89.1 | Confident | 87.6 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 13% | 0.13 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 175.3 | -71.2 | -176.4 | -178.2 | -179.2 | 0 | 111.6 | Y94 T96 S241 S243 A557 Y558 Y559 K564 Y565 | Y94-K561 HydrophobicContact CD1-CB 3.67Å; Y94-K561 HydrophobicContact CD1-CD 4.1Å; Y94-K561 HydrophobicContact CE1-CB 3.78Å; T96-K561 HydrophobicContact CG2-CD 3.99Å; T96-K561 WeakPolarHBondContact OG1-CE 3.33Å; T96-K561 PolarHBondContact OG1-NZ 2.92Å; S241-K561 PolarHBondContact O-NZ 2.93Å; S241-K561 VanDerWaalsContact O-NZ 3.1Å; S241-K561 PolarHBondContact OG-NZ 2.79Å; S243-K561 WeakPolarHBondContact OG-CD 3.2Å; S243-K561 VanDerWaalsContact OG-CE 3.24Å; S243-K561 WeakPolarHBondContact OG-CE 3.4Å; S243-K561 PolarHBondContact OG-NZ 3.4Å; A557-K561 WeakPolarHBondContact O-CG 3.45Å; A557-K561 PolarHBondContact O-N 2.7Å; A557-K561 VanDerWaalsContact O-N 3.17Å; Y558-K561 PolarHBondContact O-N 3.34Å; Y559-K561 PolarHBondContact O-N 2.97Å; K561-K564 PolarHBondContact O-N 3.36Å; K561-Y565 HydrophobicContact CB-CD2 4.4Å; K561-Y565 VanDerWaalsContact O-CD2 3.29Å; K561-Y565 WeakPolarHBondContact O-CD2 2.87Å; K561-Y565 PolarHBondContact O-N 3.09Å |
| 562 | M | 88.1 | Confident | 87.9 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -61.5 | -47.9 | 175.9 | -78.9 | -68.5 | -64.2 | 0 | 0 | 112.3 | Y94 M205 Y558 Y559 K564 M566 W567 | Y94-M562 HydrophobicContact CD2-SD 3.9Å; Y94-M562 HydrophobicContact CE2-SD 3.58Å; Y94-M562 VanDerWaalsContact CE2-SD 3.58Å; M205-M562 HydrophobicContact CE-CE 3.69Å; M205-M562 HydrophobicContact CE-SD 3.19Å; M205-M562 WeakPolarHBondContact CE-SD 3.48Å; Y558-M562 HydrophobicContact CD1-CG 4.24Å; Y558-M562 HydrophobicContact CD2-CG 4.41Å; Y558-M562 HydrophobicContact CE1-CG 3.9Å; Y558-M562 HydrophobicContact CE2-CG 4.06Å; Y558-M562 HydrophobicContact CE2-SD 4.44Å; Y558-M562 HydrophobicContact CG-CG 4.49Å; Y558-M562 WeakPolarHBondContact O-CB 3.41Å; Y558-M562 VanDerWaalsContact O-CG 3.3Å; Y558-M562 WeakPolarHBondContact O-CG 3.43Å; Y558-M562 PolarHBondContact O-N 3.47Å; Y559-M562 WeakPolarHBondContact O-CB 3.31Å; Y559-M562 PolarHBondContact O-N 3.5Å; M562-K564 VanDerWaalsContact C-N 3.34Å; M562-K564 PolarHBondContact O-N 3.47Å; M562-M566 HydrophobicContact CE-CB 3.84Å; M562-M566 HydrophobicContact CE-CG 3.51Å; M562-M566 CarbonylContact O-C 3.53Å; M562-M566 WeakPolarHBondContact O-CA 3.38Å; M562-M566 VanDerWaalsContact O-CB 3.32Å; M562-M566 WeakPolarHBondContact O-CB 3.31Å; M562-M566 PolarHBondContact O-N 3.42Å; M562-M566 HydrophobicContact SD-CB 3.77Å; M562-M566 HydrophobicContact SD-CG 3.92Å; M562-W567 PolarHBondContact O-N 3.47Å |
| 563 | E | 87.2 | Confident | 88.4 | Confident | 52 Ų | 52 | 32 Ų | 32 | 24% | 0.243 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -59.5 | -45.3 | 176.6 | -178.4 | 179.1 | 173.7 | 0 | 0 | 111.5 | Y559 W567 | Y559-E563 WeakPolarHBondContact O-CB 3.5Å; Y559-E563 PolarHBondContact O-N 3.45Å; E563-W567 HydrophobicContact CB-CD2 4.23Å; E563-W567 HydrophobicContact CB-CE3 3.61Å; E563-W567 HydrophobicContact CB-CZ3 3.82Å; E563-W567 HydrophobicContact CG-CE3 3.71Å; E563-W567 HydrophobicContact CG-CZ3 3.98Å |
| 564 | K | 87.5 | Confident | 88.7 | Confident | 136 Ų | 136 | 32.1 Ų | 32.1 | 59% | 0.591 | 16% | 0.155 | S | C | * | . | I | π-helix | trans | -66.8 | -45.9 | -177.4 | -173.1 | 177.6 | -179.6 | -168.4 | 0 | 113.3 | Q560 K561 M562 T568 | Q560-K564 WeakPolarHBondContact O-CB 3.13Å; Q560-K564 PolarHBondContact O-N 3.33Å; Q560-K564 VanDerWaalsContact O-N 3.11Å; K561-K564 PolarHBondContact O-N 3.36Å; M562-K564 VanDerWaalsContact C-N 3.34Å; M562-K564 PolarHBondContact O-N 3.47Å; K564-T568 PolarHBondContact O-OG1 3.42Å |
| 565 | Y | 88.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 13% | 0.129 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -106.3 | -43 | -169.6 | -59.3 | -63.5 | 0 | 0 | 0 | 113.6 | Y94 T96 K202 A203 K561 | Y94-Y565 HydrophobicContact CE1-CD2 4.31Å; T96-Y565 HydrophobicContact CG2-CD2 4.28Å; T96-Y565 HydrophobicContact CG2-CE2 4.06Å; K202-Y565 HydrophobicContact CB-CD1 3.99Å; K202-Y565 HydrophobicContact CB-CE1 3.96Å; K202-Y565 HydrophobicContact CD-CD1 4.39Å; K202-Y565 HydrophobicContact CD-CE1 4.05Å; A203-Y565 HydrophobicContact CB-CD2 4.25Å; A203-Y565 HydrophobicContact CB-CG 4.29Å; K561-Y565 HydrophobicContact CB-CD2 4.4Å; K561-Y565 VanDerWaalsContact O-CD2 3.29Å; K561-Y565 WeakPolarHBondContact O-CD2 2.87Å; K561-Y565 PolarHBondContact O-N 3.09Å |
| 566 | M | 86.7 | Confident | 89.4 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 5% | 0.054 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -90.7 | -42.2 | -169.6 | -177.8 | 56.8 | 142.1 | 0 | 0 | 113.1 | A183 S184 S187 M205 M562 T568 Y569 | A183-M566 WeakPolarHBondContact O-CE 3.48Å; S184-M566 WeakPolarHBondContact O-CE 3.34Å; S187-M566 PolarHBondContact OG-SD 3.11Å; M205-M566 HydrophobicContact CE-CE 4.48Å; M562-M566 HydrophobicContact CE-CB 3.84Å; M562-M566 HydrophobicContact CE-CG 3.51Å; M562-M566 CarbonylContact O-C 3.53Å; M562-M566 WeakPolarHBondContact O-CA 3.38Å; M562-M566 VanDerWaalsContact O-CB 3.32Å; M562-M566 WeakPolarHBondContact O-CB 3.31Å; M562-M566 PolarHBondContact O-N 3.42Å; M562-M566 HydrophobicContact SD-CB 3.77Å; M562-M566 HydrophobicContact SD-CG 3.92Å; M566-T568 PolarHBondContact O-N 3.31Å; M566-Y569 CarbonylContact O-C 3.59Å; M566-Y569 PolarHBondContact O-N 2.73Å |
| 567 | W | 87.1 | Confident | 89.7 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 4% | 0.038 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18 | -179.3 | -65.1 | -5.9 | 0 | 0 | 0 | 112.9 | Y559 M562 E563 F681 N682 L712 | Y559-W567 HydrophobicContact CD1-CH2 4.26Å; Y559-W567 HydrophobicContact CD1-CZ2 4.13Å; M562-W567 PolarHBondContact O-N 3.47Å; E563-W567 HydrophobicContact CB-CD2 4.23Å; E563-W567 HydrophobicContact CB-CE3 3.61Å; E563-W567 HydrophobicContact CB-CZ3 3.82Å; E563-W567 HydrophobicContact CG-CE3 3.71Å; E563-W567 HydrophobicContact CG-CZ3 3.98Å; W567-F681 CarbonylContact O-C 3.59Å; W567-F681 VanDerWaalsContact O-CA 3.31Å; W567-F681 WeakPolarHBondContact O-CA 3.44Å; W567-F681 WeakPolarHBondContact O-CB 3.35Å; W567-F681 PolarHBondContact O-N 3.01Å; W567-N682 HydrophobicContact CB-CB 4.28Å; W567-L712 HydrophobicContact CZ2-CD1 3.87Å; W567-L712 HydrophobicContact CZ2-CD2 4.34Å |
| 568 | T | 87 | Confident | 90.1 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 39% | 0.393 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -40.3 | 173.8 | -54.5 | 0 | 0 | 0 | 0 | 112 | K564 M566 A680 | K564-T568 PolarHBondContact O-OG1 3.42Å; M566-T568 PolarHBondContact O-N 3.31Å; T568-A680 PolarHBondContact O-N 3.33Å |
| 569 | Y | 87.5 | Confident | 90.1 | Very high | 71 Ų | 71 | 35.9 Ų | 35.9 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 127.3 | -179.4 | -169.8 | -79.6 | 0 | 0 | 0 | 110.5 | Y170 P171 M566 I606 K679 | Y170-Y569 HydrophobicContact CD1-CE1 4.1Å; Y170-Y569 AromaticContact CE1-CD1 3.59Å; Y170-Y569 HydrophobicContact CE1-CD1 3.59Å; Y170-Y569 AromaticContact CE1-CE1 3.31Å; Y170-Y569 HydrophobicContact CE1-CE1 3.31Å; P171-Y569 HydrophobicContact CB-CE1 4.31Å; M566-Y569 CarbonylContact O-C 3.59Å; M566-Y569 PolarHBondContact O-N 2.73Å; Y569-I606 HydrophobicContact CD1-CD1 4.11Å; Y569-I606 HydrophobicContact CD2-CG1 4.45Å; Y569-I606 HydrophobicContact CE1-CD1 3.72Å; Y569-I606 HydrophobicContact CE1-CG1 4.26Å; Y569-I606 HydrophobicContact CE1-CG2 4.34Å; Y569-I606 HydrophobicContact CE2-CD1 4.33Å; Y569-I606 HydrophobicContact CE2-CG1 3.98Å; Y569-I606 HydrophobicContact CE2-CG2 4.19Å; Y569-I606 WeakPolarHBondContact OH-CG2 3.28Å; Y569-K679 HydrophobicContact CD2-CB 3.77Å; Y569-K679 HydrophobicContact CE2-CB 4.31Å |
| 570 | G | 82.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.7 | -8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y181 Q572 L678 | Y181-G570 WeakPolarHBondContact CE1-O 3.01Å; Y181-G570 PolarHBondContact OH-O 3.18Å; G570-Q572 PolarHBondContact O-N 3.18Å; G570-L678 PolarHBondContact N-O 3.3Å |
| 571 | I | 88.4 | Confident | 90.3 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 133.8 | 176 | -166.9 | 174 | 0 | 0 | 0 | 110.4 | L678 F681 N710 L712 | I571-L678 HydrophobicContact CG2-CB 3.65Å; I571-L678 HydrophobicContact CG2-CD1 4.27Å; I571-L678 HydrophobicContact CG2-CG 4.45Å; I571-L678 PolarHBondContact O-N 2.84Å; I571-F681 HydrophobicContact CD1-CD1 3.97Å; I571-F681 HydrophobicContact CD1-CE1 4.28Å; I571-F681 HydrophobicContact CG2-CB 4Å; I571-F681 HydrophobicContact CG2-CG 4.26Å; I571-N710 WeakPolarHBondContact CG1-ND2 3.18Å; I571-L712 HydrophobicContact CD1-CD1 3.75Å |
| 572 | Q | 89.7 | Confident | 90.3 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.1 | -179.3 | -64.3 | -171 | -65.3 | 0 | 0 | 111.2 | Y181 G570 E612 L675 N710 | Y181-Q572 HydrophobicContact CD1-CG 3.82Å; Y181-Q572 HydrophobicContact CE1-CG 3.2Å; Y181-Q572 VanDerWaalsContact CE1-NE2 3.26Å; Y181-Q572 HydrophobicContact CE2-CG 4.47Å; G570-Q572 PolarHBondContact O-N 3.18Å; Q572-E612 PolarHBondContact NE2-OE2 3.48Å; Q572-L675 HydrophobicContact CB-CD2 4.27Å; Q572-N710 PolarHBondContact O-ND2 3.17Å |
| 573 | M | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.1 | 166.2 | 177.9 | -176.5 | 65.7 | 0 | 0 | 108.9 | V575 L599 L675 V676 L678 M694 T708 W713 | M573-V575 HydrophobicContact CE-CG2 3.72Å; M573-L599 HydrophobicContact CE-CD2 4.31Å; M573-L675 CarbonylContact O-C 3.58Å; M573-L675 VanDerWaalsContact O-CA 3.3Å; M573-L675 WeakPolarHBondContact O-CA 3.42Å; M573-V676 HydrophobicContact CE-CB 3.99Å; M573-V676 HydrophobicContact CE-CG1 4.46Å; M573-V676 HydrophobicContact CE-CG2 4.36Å; M573-V676 PolarHBondContact N-O 2.91Å; M573-V676 PolarHBondContact O-N 3.02Å; M573-L678 HydrophobicContact CB-CD1 3.8Å; M573-L678 HydrophobicContact CB-CG 4.14Å; M573-L678 HydrophobicContact CE-CD2 4.48Å; M573-M694 HydrophobicContact CE-CB 4.43Å; M573-M694 HydrophobicContact CE-CG 3.99Å; M573-M694 HydrophobicContact CE-SD 3.47Å; M573-M694 WeakPolarHBondContact CE-SD 3.46Å; M573-M694 HydrophobicContact SD-CB 3.82Å; M573-M694 HydrophobicContact SD-CG 3.6Å; M573-M694 HydrophobicContact SD-SD 3.95Å; M573-T708 HydrophobicContact CE-CG2 4.21Å; M573-T708 HydrophobicContact SD-CG2 3.95Å; M573-W713 HydrophobicContact SD-CZ2 4.18Å |
| 574 | Q | 94.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 140.7 | 170.4 | -55.6 | -165.3 | 23.9 | 0 | 0 | 109.5 | F68 R83 M84 L675 T708 F709 | F68-Q574 HydrophobicContact CE1-CB 3.56Å; F68-Q574 HydrophobicContact CZ-CB 3.63Å; R83-Q574 VanDerWaalsContact C-NE2 3.35Å; R83-Q574 PolarHBondContact O-NE2 3.35Å; M84-Q574 VanDerWaalsContact C-NE2 3.31Å; M84-Q574 PolarHBondContact O-NE2 2.9Å; Q574-L675 HydrophobicContact CG-CD2 4.15Å; Q574-L675 HydrophobicContact CG-CG 4.16Å; Q574-T708 CarbonylContact O-C 3.46Å; Q574-T708 WeakPolarHBondContact O-CA 3.21Å; Q574-F709 PolarHBondContact N-O 3.47Å; Q574-F709 PolarHBondContact O-N 3.19Å |
| 575 | V | 96.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.5 | -179.9 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | M573 L599 R673 F674 V676 V706 T707 T708 | M573-V575 HydrophobicContact CE-CG2 3.72Å; V575-L599 HydrophobicContact CG1-CD1 3.91Å; V575-L599 HydrophobicContact CG2-CD1 4Å; V575-R673 CarbonylContact O-C 3.58Å; V575-R673 WeakPolarHBondContact O-CA 3.35Å; V575-R673 VanDerWaalsContact O-CB 3.31Å; V575-R673 WeakPolarHBondContact O-CB 3.26Å; V575-F674 HydrophobicContact CB-CD1 4.06Å; V575-F674 HydrophobicContact CB-CD2 4.12Å; V575-F674 HydrophobicContact CB-CE1 3.7Å; V575-F674 HydrophobicContact CB-CE2 3.75Å; V575-F674 HydrophobicContact CB-CG 4.28Å; V575-F674 HydrophobicContact CB-CZ 3.55Å; V575-F674 HydrophobicContact CG1-CD1 4.34Å; V575-F674 HydrophobicContact CG1-CE1 3.54Å; V575-F674 HydrophobicContact CG1-CE2 4.11Å; V575-F674 HydrophobicContact CG1-CZ 3.41Å; V575-F674 VanDerWaalsContact CG1-CZ 3.41Å; V575-F674 HydrophobicContact CG2-CD2 4.31Å; V575-F674 HydrophobicContact CG2-CE2 3.81Å; V575-F674 HydrophobicContact CG2-CZ 4.01Å; V575-F674 PolarHBondContact N-O 3.31Å; V575-F674 PolarHBondContact O-N 2.72Å; V575-V676 HydrophobicContact CG2-CG2 3.98Å; V575-V706 HydrophobicContact CG1-CG1 3.54Å; V575-T707 CarbonylContact C-O 3.43Å; V575-T707 WeakPolarHBondContact CA-O 3.32Å; V575-T708 HydrophobicContact CG1-CG2 4.32Å; V575-T708 HydrophobicContact CG2-CG2 4.29Å |
| 576 | A | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | F68 L71 W72 V706 T707 | F68-A576 HydrophobicContact CE1-CB 4.15Å; F68-A576 HydrophobicContact CE2-CB 3.97Å; F68-A576 HydrophobicContact CZ-CB 3.68Å; L71-A576 HydrophobicContact CD1-CB 4.41Å; W72-A576 HydrophobicContact CH2-CB 3.8Å; W72-A576 HydrophobicContact CZ3-CB 3.62Å; A576-V706 CarbonylContact O-C 3.44Å; A576-V706 WeakPolarHBondContact O-CA 3.45Å; A576-T707 PolarHBondContact N-O 3.1Å; A576-T707 PolarHBondContact O-N 2.99Å |
| 577 | V | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 98.5 | 171.8 | -178.8 | 0 | 0 | 0 | 0 | 107 | P580 L595 A671 F672 F674 L704 | V577-P580 HydrophobicContact CG1-CB 3.94Å; V577-L595 HydrophobicContact CG2-CD2 4.29Å; V577-A671 VanDerWaalsContact O-CA 3.29Å; V577-A671 WeakPolarHBondContact O-CA 3.24Å; V577-F672 HydrophobicContact CB-CD1 4.29Å; V577-F672 HydrophobicContact CB-CE1 3.93Å; V577-F672 HydrophobicContact CB-CE2 4.2Å; V577-F672 HydrophobicContact CB-CZ 3.85Å; V577-F672 HydrophobicContact CG1-CE1 3.99Å; V577-F672 HydrophobicContact CG1-CZ 4.14Å; V577-F672 HydrophobicContact CG2-CE1 4.38Å; V577-F672 HydrophobicContact CG2-CE2 3.94Å; V577-F672 HydrophobicContact CG2-CZ 3.79Å; V577-F672 PolarHBondContact N-O 3.3Å; V577-F672 PolarHBondContact O-N 3.46Å; V577-F672 VanDerWaalsContact O-N 3.12Å; V577-F674 HydrophobicContact CG2-CD1 4.25Å; V577-F674 HydrophobicContact CG2-CE1 3.74Å; V577-L704 HydrophobicContact CG1-CB 4.25Å |
| 578 | S | 94.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -82.6 | -17.5 | -172.9 | -55 | 0 | 0 | 0 | 0 | 113.3 | K670 L704 N705 | S578-K670 VanDerWaalsContact O-O 3.06Å; S578-L704 PolarHBondContact N-O 3.47Å; S578-N705 WeakPolarHBondContact CB-O 3.35Å; S578-N705 PolarHBondContact N-O 3.09Å; S578-N705 PolarHBondContact OG-O 3.43Å |
| 579 | K | 93.5 | Very high | 91.4 | Very high | 143 Ų | 143 | 36.1 Ų | 36.1 | 62% | 0.622 | 18% | 0.176 | S | C | * | . | trans | -133.2 | 70.9 | 177 | -165.8 | 177.4 | -179.2 | 178.1 | 0 | 110.6 | G581 L704 N705 | K579-G581 VanDerWaalsContact C-N 3.26Å; K579-G581 PolarHBondContact O-N 2.96Å; K579-L704 PolarHBondContact N-O 2.86Å; K579-N705 HydrophobicContact CB-CB 4.35Å | ||
| 580 | P | 92.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | trans | -70.6 | -21 | -175.1 | 31.1 | -36.7 | 0 | 0 | 0 | 113.3 | V577 L583 Q588 I592 I669 K670 F672 | V577-P580 HydrophobicContact CG1-CB 3.94Å; P580-L583 HydrophobicContact CB-CD2 4.21Å; P580-Q588 WeakPolarHBondContact O-CG 3.49Å; P580-Q588 PolarHBondContact O-NE2 2.9Å; P580-I592 HydrophobicContact CB-CD1 4.4Å; P580-I669 HydrophobicContact CG-CG2 4.1Å; P580-I669 VanDerWaalsContact CG-O 3.29Å; P580-I669 WeakPolarHBondContact CG-O 3.26Å; P580-K670 WeakPolarHBondContact CD-O 3.29Å; P580-F672 HydrophobicContact CB-CD1 3.73Å; P580-F672 HydrophobicContact CB-CE1 3.47Å; P580-F672 VanDerWaalsContact CB-CE1 3.47Å; P580-F672 HydrophobicContact CG-CD1 4.22Å; P580-F672 HydrophobicContact CG-CE1 4.44Å | ||
| 581 | G | 89.3 | Confident | 92.2 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | trans | 69.4 | -161.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K579 L583 | K579-G581 VanDerWaalsContact C-N 3.26Å; K579-G581 PolarHBondContact O-N 2.96Å; G581-L583 PolarHBondContact O-N 3.33Å | ||
| 582 | N | 89 | Confident | 92.5 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | trans | -80.3 | 108.5 | 177.4 | -175.9 | 22.1 | 0 | 0 | 0 | 110.8 | A584 D585 Q588 N635 Y639 | N582-A584 PolarHBondContact O-N 2.94Å; N582-A584 WeakPolarHBondContact OD1-CB 3.22Å; N582-A584 PolarHBondContact OD1-N 3.41Å; N582-D585 WeakPolarHBondContact O-CB 3.31Å; N582-D585 PolarHBondContact O-N 2.98Å; N582-Q588 VanDerWaalsContact O-CB 3.28Å; N582-Q588 WeakPolarHBondContact O-CB 3.46Å; N582-N635 PolarHBondContact ND2-OD1 2.9Å; N582-Y639 PolarHBondContact OD1-OH 2.73Å | ||
| 583 | L | 90.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11.4 | 179 | -59.5 | -175 | 0 | 0 | 0 | 113.6 | P580 G581 R589 I592 W614 F638 Y639 I669 F672 | P580-L583 HydrophobicContact CB-CD2 4.21Å; G581-L583 PolarHBondContact O-N 3.33Å; L583-R589 WeakPolarHBondContact O-CD 3.48Å; L583-R589 WeakPolarHBondContact O-CG 3.3Å; L583-R589 PolarHBondContact O-NH1 3.5Å; L583-I592 HydrophobicContact CD2-CD1 3.15Å; L583-W614 HydrophobicContact CD1-CH2 3.69Å; L583-W614 HydrophobicContact CD1-CZ2 3.45Å; L583-W614 VanDerWaalsContact CD1-CZ2 3.45Å; L583-F638 HydrophobicContact CB-CE1 3.69Å; L583-F638 HydrophobicContact CB-CZ 3.8Å; L583-F638 WeakPolarHBondContact O-CZ 3.49Å; L583-Y639 PolarHBondContact N-OH 3.02Å; L583-I669 HydrophobicContact CD1-CD1 3.9Å; L583-F672 HydrophobicContact CD1-CE1 4.28Å |
| 584 | A | 87.4 | Confident | 92.8 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -14.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N582 R589 N635 F638 | N582-A584 PolarHBondContact O-N 2.94Å; N582-A584 WeakPolarHBondContact OD1-CB 3.22Å; N582-A584 PolarHBondContact OD1-N 3.41Å; A584-R589 PolarHBondContact O-NH1 3.37Å; A584-N635 HydrophobicContact CB-CB 4.28Å; A584-N635 WeakPolarHBondContact CB-OD1 3.44Å; A584-F638 HydrophobicContact CB-CB 3.85Å; A584-F638 HydrophobicContact CB-CD1 4.01Å; A584-F638 HydrophobicContact CB-CD2 4.4Å; A584-F638 HydrophobicContact CB-CG 3.82Å |
| 585 | D | 89.6 | Confident | 92.9 | Very high | 72 Ų | 72 | 43.9 Ų | 43.9 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -81.1 | 123.9 | 170.4 | 178.7 | 10.1 | 0 | 0 | 0 | 111.1 | N582 K587 Q588 R589 | N582-D585 WeakPolarHBondContact O-CB 3.31Å; N582-D585 PolarHBondContact O-N 2.98Å; D585-K587 VanDerWaalsContact C-N 3.28Å; D585-K587 PolarHBondContact O-N 3.06Å; D585-K587 PolarHBondContact OD1-N 3.45Å; D585-Q588 HydrophobicContact CB-CB 4.16Å; D585-Q588 PolarHBondContact O-N 3.28Å; D585-Q588 VanDerWaalsContact O-N 3.09Å; D585-R589 PolarHBondContact O-N 2.8Å |
| 586 | Y | 89.9 | Confident | 92.9 | Very high | 122 Ų | 122 | 43.9 Ų | 43.9 | 48% | 0.478 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -50 | -46.5 | 174.2 | 175.7 | -92.7 | 0 | 0 | 0 | 112.4 | Q588 R589 E590 | Y586-Q588 PolarHBondContact O-N 2.71Å; Y586-R589 PolarHBondContact O-N 3.37Å; Y586-E590 HydrophobicContact CD1-CG 4.11Å; Y586-E590 HydrophobicContact CD2-CG 4.44Å; Y586-E590 HydrophobicContact CE1-CG 3.57Å; Y586-E590 HydrophobicContact CE2-CG 3.94Å; Y586-E590 VanDerWaalsContact CZ-CG 3.46Å; Y586-E590 WeakPolarHBondContact O-CG 3.48Å; Y586-E590 PolarHBondContact O-N 2.84Å |
| 587 | K | 91.3 | Very high | 92.9 | Very high | 149 Ų | 149 | 50.1 Ų | 50.1 | 65% | 0.648 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.7 | -32.3 | -177.7 | -71.6 | -178.5 | 179.3 | 175.2 | 0 | 112.3 | D585 K591 | D585-K587 VanDerWaalsContact C-N 3.28Å; D585-K587 PolarHBondContact O-N 3.06Å; D585-K587 PolarHBondContact OD1-N 3.45Å; K587-K591 WeakPolarHBondContact O-CG 3.32Å; K587-K591 PolarHBondContact O-N 2.91Å |
| 588 | Q | 91.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -79.5 | -38.2 | 179.4 | -166.2 | 65.3 | 5.6 | 0 | 0 | 111.4 | P580 N582 D585 Y586 K591 I592 L704 | P580-Q588 WeakPolarHBondContact O-CG 3.49Å; P580-Q588 PolarHBondContact O-NE2 2.9Å; N582-Q588 VanDerWaalsContact O-CB 3.28Å; N582-Q588 WeakPolarHBondContact O-CB 3.46Å; D585-Q588 HydrophobicContact CB-CB 4.16Å; D585-Q588 PolarHBondContact O-N 3.28Å; D585-Q588 VanDerWaalsContact O-N 3.09Å; Y586-Q588 PolarHBondContact O-N 2.71Å; Q588-K591 PolarHBondContact O-N 2.9Å; Q588-I592 PolarHBondContact O-N 3.38Å; Q588-L704 VanDerWaalsContact NE2-CD2 3.33Å |
| 589 | R | 93.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 4% | 0.038 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 170.9 | -68.1 | -165.9 | -65.2 | -86.4 | 4 | 111.8 | L583 A584 D585 Y586 K591 I592 I593 D631 | L583-R589 WeakPolarHBondContact O-CD 3.48Å; L583-R589 WeakPolarHBondContact O-CG 3.3Å; L583-R589 PolarHBondContact O-NH1 3.5Å; A584-R589 PolarHBondContact O-NH1 3.37Å; D585-R589 PolarHBondContact O-N 2.8Å; Y586-R589 PolarHBondContact O-N 3.37Å; R589-K591 VanDerWaalsContact C-N 3.27Å; R589-K591 PolarHBondContact O-N 3.25Å; R589-I592 PolarHBondContact O-N 3.27Å; R589-I593 HydrophobicContact CB-CD1 4.46Å; R589-I593 WeakPolarHBondContact O-CG1 3.44Å; R589-I593 PolarHBondContact O-N 2.92Å; R589-D631 IonicContact CZ-OD1 3.7Å; R589-D631 IonicContact NH2-OD1 3.72Å; R589-D631 PolarHBondContact NH2-OD1 3.03Å |
| 590 | E | 92.8 | Very high | 93 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -37.5 | -179.9 | -79.5 | -59.9 | 112.8 | 0 | 0 | 112.5 | Y586 I592 I593 S594 | Y586-E590 HydrophobicContact CD1-CG 4.11Å; Y586-E590 HydrophobicContact CD2-CG 4.44Å; Y586-E590 HydrophobicContact CE1-CG 3.57Å; Y586-E590 HydrophobicContact CE2-CG 3.94Å; Y586-E590 VanDerWaalsContact CZ-CG 3.46Å; Y586-E590 WeakPolarHBondContact O-CG 3.48Å; Y586-E590 PolarHBondContact O-N 2.84Å; E590-I592 VanDerWaalsContact C-N 3.34Å; E590-I592 PolarHBondContact O-N 3.49Å; E590-I593 PolarHBondContact O-N 3.14Å; E590-S594 VanDerWaalsContact O-CB 3.27Å; E590-S594 WeakPolarHBondContact O-CB 3.49Å; E590-S594 PolarHBondContact O-N 3.2Å; E590-S594 PolarHBondContact O-OG 3.3Å |
| 591 | K | 94.2 | Very high | 93.2 | Very high | 108 Ų | 108 | 51.2 Ų | 51.2 | 47% | 0.47 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 173.7 | -73.6 | 172.6 | -173.5 | 173.6 | 0 | 113 | K587 Q588 R589 S594 L595 | K587-K591 WeakPolarHBondContact O-CG 3.32Å; K587-K591 PolarHBondContact O-N 2.91Å; Q588-K591 PolarHBondContact O-N 2.9Å; R589-K591 VanDerWaalsContact C-N 3.27Å; R589-K591 PolarHBondContact O-N 3.25Å; K591-S594 PolarHBondContact O-OG 3.21Å; K591-L595 WeakPolarHBondContact O-CB 3.48Å; K591-L595 PolarHBondContact O-N 3.3Å |
| 592 | I | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75 | -42.6 | 179 | -71.4 | 165.1 | 0 | 0 | 0 | 110.5 | P580 L583 Q588 R589 E590 S594 L595 V596 L615 F672 L704 | P580-I592 HydrophobicContact CB-CD1 4.4Å; L583-I592 HydrophobicContact CD2-CD1 3.15Å; Q588-I592 PolarHBondContact O-N 3.38Å; R589-I592 PolarHBondContact O-N 3.27Å; E590-I592 VanDerWaalsContact C-N 3.34Å; E590-I592 PolarHBondContact O-N 3.49Å; I592-S594 VanDerWaalsContact C-N 3.3Å; I592-S594 PolarHBondContact O-N 2.9Å; I592-L595 WeakPolarHBondContact O-CB 3.32Å; I592-L595 PolarHBondContact O-N 3.28Å; I592-V596 HydrophobicContact CG2-CG2 4.48Å; I592-V596 VanDerWaalsContact O-CG2 3.26Å; I592-V596 WeakPolarHBondContact O-CG2 3.44Å; I592-V596 PolarHBondContact O-N 2.88Å; I592-L615 HydrophobicContact CB-CD2 4.29Å; I592-L615 HydrophobicContact CG2-CD2 3.72Å; I592-F672 HydrophobicContact CD1-CE1 4.04Å; I592-F672 HydrophobicContact CD1-CZ 4.09Å; I592-F672 HydrophobicContact CG2-CZ 3.77Å; I592-L704 HydrophobicContact CG1-CD1 4.14Å; I592-L704 HydrophobicContact CG1-CD2 4.32Å |
| 593 | I | 95.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.8 | -65.4 | 166.4 | 0 | 0 | 0 | 110.1 | R589 E590 V596 R597 L619 | R589-I593 HydrophobicContact CB-CD1 4.46Å; R589-I593 WeakPolarHBondContact O-CG1 3.44Å; R589-I593 PolarHBondContact O-N 2.92Å; E590-I593 PolarHBondContact O-N 3.14Å; I593-V596 PolarHBondContact O-N 3.36Å; I593-R597 WeakPolarHBondContact O-CB 3.4Å; I593-R597 PolarHBondContact O-N 3.5Å; I593-L619 HydrophobicContact CD1-CD1 3.65Å; I593-L619 HydrophobicContact CG1-CD1 4.44Å |
| 594 | S | 95 | Very high | 93.6 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 175.2 | 72.5 | 0 | 0 | 0 | 0 | 112.1 | E590 K591 I592 V596 R597 M598 | E590-S594 VanDerWaalsContact O-CB 3.27Å; E590-S594 WeakPolarHBondContact O-CB 3.49Å; E590-S594 PolarHBondContact O-N 3.2Å; E590-S594 PolarHBondContact O-OG 3.3Å; K591-S594 PolarHBondContact O-OG 3.21Å; I592-S594 VanDerWaalsContact C-N 3.3Å; I592-S594 PolarHBondContact O-N 2.9Å; S594-V596 PolarHBondContact O-N 3.37Å; S594-R597 PolarHBondContact O-N 3Å; S594-M598 WeakPolarHBondContact O-CB 3.3Å; S594-M598 VanDerWaalsContact O-CG 3.29Å; S594-M598 WeakPolarHBondContact O-CG 3.33Å; S594-M598 PolarHBondContact O-N 3.33Å |
| 595 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 171.6 | 171.4 | 67.5 | 0 | 0 | 0 | 111.8 | V577 K591 I592 R597 M598 L599 F674 I697 N701 L704 V706 | V577-L595 HydrophobicContact CG2-CD2 4.29Å; K591-L595 WeakPolarHBondContact O-CB 3.48Å; K591-L595 PolarHBondContact O-N 3.3Å; I592-L595 WeakPolarHBondContact O-CB 3.32Å; I592-L595 PolarHBondContact O-N 3.28Å; L595-R597 VanDerWaalsContact C-N 3.33Å; L595-R597 PolarHBondContact O-N 2.81Å; L595-M598 HydrophobicContact CB-CE 4.46Å; L595-M598 PolarHBondContact O-N 3.09Å; L595-L599 HydrophobicContact CD1-CD1 3.88Å; L595-L599 HydrophobicContact CD1-CG 4.25Å; L595-L599 HydrophobicContact CG-CD1 4.04Å; L595-L599 WeakPolarHBondContact O-CG 3.36Å; L595-L599 PolarHBondContact O-N 3.48Å; L595-F674 HydrophobicContact CD2-CZ 4.49Å; L595-I697 HydrophobicContact CD1-CG2 4.08Å; L595-N701 HydrophobicContact CD1-CB 4.03Å; L595-L704 HydrophobicContact CD2-CD1 3.91Å; L595-V706 HydrophobicContact CD1-CG1 4.46Å; L595-V706 HydrophobicContact CD1-CG2 4.3Å; L595-V706 HydrophobicContact CD2-CG1 4.12Å; L595-V706 HydrophobicContact CD2-CG2 3.52Å |
| 596 | V | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | I592 I593 S594 L599 A600 L608 V611 I616 F674 | I592-V596 HydrophobicContact CG2-CG2 4.48Å; I592-V596 VanDerWaalsContact O-CG2 3.26Å; I592-V596 WeakPolarHBondContact O-CG2 3.44Å; I592-V596 PolarHBondContact O-N 2.88Å; I593-V596 PolarHBondContact O-N 3.36Å; S594-V596 PolarHBondContact O-N 3.37Å; V596-L599 PolarHBondContact O-N 2.8Å; V596-A600 WeakPolarHBondContact O-CB 3.46Å; V596-A600 PolarHBondContact O-N 3.03Å; V596-L608 HydrophobicContact CG1-CD2 4.45Å; V596-V611 HydrophobicContact CG1-CB 4.4Å; V596-V611 HydrophobicContact CG1-CG1 3.52Å; V596-V611 HydrophobicContact CG1-CG2 4.23Å; V596-I616 HydrophobicContact CB-CD1 4.36Å; V596-I616 HydrophobicContact CG1-CD1 3.61Å; V596-F674 HydrophobicContact CB-CE2 4.37Å; V596-F674 HydrophobicContact CG1-CE2 4.43Å; V596-F674 HydrophobicContact CG2-CD1 4.46Å; V596-F674 HydrophobicContact CG2-CD2 4.11Å; V596-F674 HydrophobicContact CG2-CE1 4.06Å; V596-F674 HydrophobicContact CG2-CE2 3.69Å; V596-F674 HydrophobicContact CG2-CG 4.47Å; V596-F674 HydrophobicContact CG2-CZ 3.64Å |
| 597 | R | 96.2 | Very high | 94.2 | Very high | 130 Ų | 130 | 48.4 Ų | 48.4 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 176.7 | -174.9 | -179.5 | -86.7 | 152.3 | -1.8 | 111.6 | I593 S594 L595 L599 A600 E601 L608 | I593-R597 WeakPolarHBondContact O-CB 3.4Å; I593-R597 PolarHBondContact O-N 3.5Å; S594-R597 PolarHBondContact O-N 3Å; L595-R597 VanDerWaalsContact C-N 3.33Å; L595-R597 PolarHBondContact O-N 2.81Å; R597-L599 VanDerWaalsContact C-N 3.33Å; R597-L599 PolarHBondContact O-N 3.47Å; R597-A600 PolarHBondContact O-N 2.97Å; R597-E601 WeakPolarHBondContact CD-OE2 3.25Å; R597-E601 HydrophobicContact CG-CG 4.16Å; R597-E601 WeakPolarHBondContact CG-OE1 3.35Å; R597-E601 WeakPolarHBondContact CG-OE2 3.37Å; R597-E601 IonicContact NE-OE1 2.69Å; R597-E601 WeakPolarHBondContact O-CB 3.45Å; R597-E601 PolarHBondContact O-N 3.43Å; R597-L608 HydrophobicContact CB-CD2 4.38Å |
| 598 | M | 96.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 44.8 Ų | 44.8 | 39% | 0.394 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.3 | -43.2 | 178.5 | -75.2 | -173.5 | -69.2 | 0 | 0 | 112.2 | S594 L595 S602 I697 N701 | S594-M598 WeakPolarHBondContact O-CB 3.3Å; S594-M598 VanDerWaalsContact O-CG 3.29Å; S594-M598 WeakPolarHBondContact O-CG 3.33Å; S594-M598 PolarHBondContact O-N 3.33Å; L595-M598 HydrophobicContact CB-CE 4.46Å; L595-M598 PolarHBondContact O-N 3.09Å; M598-S602 WeakPolarHBondContact O-CB 3.4Å; M598-S602 PolarHBondContact O-N 2.94Å; M598-I697 HydrophobicContact CB-CG2 3.96Å; M598-N701 VanDerWaalsContact CE-ND2 3.33Å; M598-N701 WeakPolarHBondContact CE-ND2 3.42Å |
| 599 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.7 | -43.6 | 177.6 | -68.6 | 166 | 0 | 0 | 0 | 111.8 | M573 V575 L595 V596 R597 S602 F674 V676 M694 I697 T708 | M573-L599 HydrophobicContact CE-CD2 4.31Å; V575-L599 HydrophobicContact CG1-CD1 3.91Å; V575-L599 HydrophobicContact CG2-CD1 4Å; L595-L599 HydrophobicContact CD1-CD1 3.88Å; L595-L599 HydrophobicContact CD1-CG 4.25Å; L595-L599 HydrophobicContact CG-CD1 4.04Å; L595-L599 WeakPolarHBondContact O-CG 3.36Å; L595-L599 PolarHBondContact O-N 3.48Å; V596-L599 PolarHBondContact O-N 2.8Å; R597-L599 VanDerWaalsContact C-N 3.33Å; R597-L599 PolarHBondContact O-N 3.47Å; L599-S602 WeakPolarHBondContact O-CB 3.46Å; L599-S602 PolarHBondContact O-OG 2.73Å; L599-F674 HydrophobicContact CD1-CE2 4.06Å; L599-F674 HydrophobicContact CD1-CZ 3.78Å; L599-V676 HydrophobicContact CB-CG2 4.22Å; L599-M694 HydrophobicContact CD2-SD 3.75Å; L599-I697 HydrophobicContact CD2-CB 3.86Å; L599-I697 HydrophobicContact CD2-CD1 4.14Å; L599-I697 HydrophobicContact CD2-CG2 3.57Å; L599-I697 HydrophobicContact CG-CG2 3.82Å; L599-T708 HydrophobicContact CD2-CG2 4.38Å |
| 600 | A | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | V596 R597 S602 G605 G607 L608 V611 V676 | V596-A600 WeakPolarHBondContact O-CB 3.46Å; V596-A600 PolarHBondContact O-N 3.03Å; R597-A600 PolarHBondContact O-N 2.97Å; A600-S602 VanDerWaalsContact C-N 3.35Å; A600-G605 CarbonylContact O-C 3.57Å; A600-G605 VanDerWaalsContact O-C 3.25Å; A600-G605 VanDerWaalsContact O-CA 3.23Å; A600-G605 WeakPolarHBondContact O-CA 3.45Å; A600-G607 WeakPolarHBondContact O-CA 3.35Å; A600-G607 PolarHBondContact O-N 3.48Å; A600-L608 HydrophobicContact CB-CD2 4.03Å; A600-V611 HydrophobicContact CB-CG2 3.35Å; A600-V676 HydrophobicContact CB-CG1 4.46Å |
| 601 | E | 95.3 | Very high | 93.8 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 54% | 0.537 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 5.5 | -179.1 | -63.7 | 174.7 | -179.7 | 0 | 0 | 112.7 | R597 | R597-E601 WeakPolarHBondContact CD-OE2 3.25Å; R597-E601 HydrophobicContact CG-CG 4.16Å; R597-E601 WeakPolarHBondContact CG-OE1 3.35Å; R597-E601 WeakPolarHBondContact CG-OE2 3.37Å; R597-E601 IonicContact NE-OE1 2.69Å; R597-E601 WeakPolarHBondContact O-CB 3.45Å; R597-E601 PolarHBondContact O-N 3.43Å |
| 602 | S | 93.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -57.8 | 163.7 | 171.2 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | M598 L599 A600 H604 G605 M694 | M598-S602 WeakPolarHBondContact O-CB 3.4Å; M598-S602 PolarHBondContact O-N 2.94Å; L599-S602 WeakPolarHBondContact O-CB 3.46Å; L599-S602 PolarHBondContact O-OG 2.73Å; A600-S602 VanDerWaalsContact C-N 3.35Å; S602-H604 PolarHBondContact O-N 3.37Å; S602-G605 PolarHBondContact O-N 3.22Å; S602-G605 PolarHBondContact OG-N 2.97Å; S602-G605 VanDerWaalsContact OG-N 3.12Å; S602-M694 WeakPolarHBondContact OG-CE 3.24Å |
| 603 | R | 92.7 | Very high | 93.5 | Very high | 163 Ų | 163 | 41.5 Ų | 41.5 | 62% | 0.615 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49 | -38.8 | -178.6 | -175 | 178.7 | -178.6 | -153 | -6.6 | 113.2 | K679 E689 | R603-K679 WeakPolarHBondContact O-CE 3.28Å; R603-E689 IonicContact CZ-OE2 3.2Å; R603-E689 IonicContact NH1-OE1 3.98Å; R603-E689 IonicContact NH1-OE2 3.77Å; R603-E689 PolarHBondContact NH1-OE2 3.2Å; R603-E689 IonicContact NH2-OE2 2.68Å; R603-E689 PolarHBondContact NH2-OE2 2.99Å |
| 604 | H | 92.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -0.4 | -178.1 | -63.2 | -76.8 | 0 | 0 | 0 | 113.6 | S602 L678 K679 E689 T690 D693 M694 | S602-H604 PolarHBondContact O-N 3.37Å; H604-L678 CarbonylContact O-C 3.45Å; H604-L678 VanDerWaalsContact O-CA 3.25Å; H604-L678 WeakPolarHBondContact O-CA 3.33Å; H604-K679 PolarHBondContact O-N 3.39Å; H604-E689 IonicContact NE2-OE2 2.69Å; H604-T690 HydrophobicContact CB-CG2 3.7Å; H604-T690 WeakPolarHBondContact CB-OG1 3.25Å; H604-T690 PolarHBondContact CD2-OG1 2.93Å; H604-T690 PolarHBondContact ND1-OG1 3.32Å; H604-D693 IonicContact CD2-OD2 3.71Å; H604-M694 HydrophobicContact CB-CE 4.36Å |
| 605 | G | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -75.9 | 145.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | A600 S602 G607 K679 | A600-G605 CarbonylContact O-C 3.57Å; A600-G605 VanDerWaalsContact O-C 3.25Å; A600-G605 VanDerWaalsContact O-CA 3.23Å; A600-G605 WeakPolarHBondContact O-CA 3.45Å; S602-G605 PolarHBondContact O-N 3.22Å; S602-G605 PolarHBondContact OG-N 2.97Å; S602-G605 VanDerWaalsContact OG-N 3.12Å; G605-G607 VanDerWaalsContact C-N 3.3Å; G605-K679 WeakPolarHBondContact O-CD 3.18Å; G605-K679 WeakPolarHBondContact O-CE 3.48Å; G605-K679 PolarHBondContact O-NZ 3.13Å |
| 606 | I | 92.1 | Very high | 93 | Very high | 21 Ų | 21 | 39.3 Ų | 39.3 | 11% | 0.108 | 18% | 0.182 | C | C | . | . | trans | -69.8 | -30.4 | 175.9 | -72.2 | 175.2 | 0 | 0 | 0 | 111.7 | P171 Y569 G677 K679 | P171-I606 HydrophobicContact CG-CG2 4.15Å; Y569-I606 HydrophobicContact CD1-CD1 4.11Å; Y569-I606 HydrophobicContact CD2-CG1 4.45Å; Y569-I606 HydrophobicContact CE1-CD1 3.72Å; Y569-I606 HydrophobicContact CE1-CG1 4.26Å; Y569-I606 HydrophobicContact CE1-CG2 4.34Å; Y569-I606 HydrophobicContact CE2-CD1 4.33Å; Y569-I606 HydrophobicContact CE2-CG1 3.98Å; Y569-I606 HydrophobicContact CE2-CG2 4.19Å; Y569-I606 WeakPolarHBondContact OH-CG2 3.28Å; I606-G677 WeakPolarHBondContact CB-O 3.29Å; I606-G677 VanDerWaalsContact CD1-C 3.49Å; I606-G677 WeakPolarHBondContact CG1-O 3.45Å; I606-G677 PolarHBondContact N-O 2.92Å; I606-K679 HydrophobicContact CG1-CB 4.15Å | ||
| 607 | G | 92 | Very high | 92.7 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | trans | 118.1 | 175 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A600 G605 E609 G610 | A600-G607 WeakPolarHBondContact O-CA 3.35Å; A600-G607 PolarHBondContact O-N 3.48Å; G605-G607 VanDerWaalsContact C-N 3.3Å; G607-E609 PolarHBondContact O-N 3.16Å; G607-E609 VanDerWaalsContact O-N 3.15Å; G607-G610 PolarHBondContact O-N 3.1Å | ||
| 608 | L | 91.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 34 Ų | 34 | 38% | 0.382 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -59.4 | -26.5 | -178.7 | -69.4 | 172.7 | 0 | 0 | 0 | 113.2 | V596 R597 A600 G610 V611 | V596-L608 HydrophobicContact CG1-CD2 4.45Å; R597-L608 HydrophobicContact CB-CD2 4.38Å; A600-L608 HydrophobicContact CB-CD2 4.03Å; L608-G610 PolarHBondContact O-N 2.91Å; L608-V611 WeakPolarHBondContact O-CB 3.43Å; L608-V611 PolarHBondContact O-N 3.04Å; L608-V611 VanDerWaalsContact O-N 3.16Å |
| 609 | E | 86.7 | Confident | 92.2 | Very high | 141 Ų | 141 | 31.9 Ų | 31.9 | 66% | 0.659 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -61 | -29.6 | 173.9 | -62.7 | 177.3 | 179.3 | 0 | 0 | 112.6 | P171 K172 G607 V611 | P171-E609 HydrophobicContact CG-CB 4.39Å; K172-E609 WeakPolarHBondContact CD-O 3.38Å; K172-E609 WeakPolarHBondContact CE-O 3.33Å; K172-E609 WeakPolarHBondContact CG-O 3.47Å; G607-E609 PolarHBondContact O-N 3.16Å; G607-E609 VanDerWaalsContact O-N 3.15Å; E609-V611 VanDerWaalsContact C-N 3.33Å; E609-V611 PolarHBondContact O-N 3.28Å |
| 610 | G | 89.7 | Confident | 91.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -84.7 | 2.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y181 G607 L608 G677 | Y181-G610 WeakPolarHBondContact CE2-O 3.43Å; G607-G610 PolarHBondContact O-N 3.1Å; L608-G610 PolarHBondContact O-N 2.91Å; G610-G677 PolarHBondContact O-N 3.01Å |
| 611 | V | 92.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.7 | -170.3 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | K172 V596 A600 L608 E609 C613 F674 L675 V676 | K172-V611 WeakPolarHBondContact CE-O 3.47Å; K172-V611 PolarHBondContact NZ-O 3.07Å; V596-V611 HydrophobicContact CG1-CB 4.4Å; V596-V611 HydrophobicContact CG1-CG1 3.52Å; V596-V611 HydrophobicContact CG1-CG2 4.23Å; A600-V611 HydrophobicContact CB-CG2 3.35Å; L608-V611 WeakPolarHBondContact O-CB 3.43Å; L608-V611 PolarHBondContact O-N 3.04Å; L608-V611 VanDerWaalsContact O-N 3.16Å; E609-V611 VanDerWaalsContact C-N 3.33Å; E609-V611 PolarHBondContact O-N 3.28Å; V611-C613 HydrophobicContact CG1-CB 3.91Å; V611-F674 HydrophobicContact CG1-CD2 4.34Å; V611-L675 CarbonylContact C-O 3.25Å; V611-L675 WeakPolarHBondContact CA-O 3.17Å; V611-V676 HydrophobicContact CG2-CG1 4.45Å; V611-V676 HydrophobicContact CG2-CG2 4.41Å |
| 612 | E | 90.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 103.6 | 168.5 | -60.1 | -179.4 | 76.5 | 0 | 0 | 110.6 | R83 Y181 Q572 F674 L675 | R83-E612 IonicContact CZ-OE1 2.72Å; R83-E612 IonicContact CZ-OE2 2.7Å; R83-E612 IonicContact NH1-OE1 3.15Å; R83-E612 PolarHBondContact NH1-OE1 3.35Å; R83-E612 VanDerWaalsContact NH1-OE1 3.16Å; R83-E612 IonicContact NH1-OE2 3.29Å; R83-E612 PolarHBondContact NH1-OE2 3.01Å; R83-E612 VanDerWaalsContact NH2-CD 3.35Å; R83-E612 IonicContact NH2-OE1 3.83Å; R83-E612 PolarHBondContact NH2-OE1 3.35Å; R83-E612 IonicContact NH2-OE2 2.96Å; Y181-E612 WeakPolarHBondContact CB-OE2 3.19Å; Y181-E612 HydrophobicContact CD2-CG 4.49Å; Q572-E612 PolarHBondContact NE2-OE2 3.48Å; E612-F674 WeakPolarHBondContact O-CA 3.32Å; E612-F674 WeakPolarHBondContact O-CB 3.27Å; E612-L675 HydrophobicContact CB-CB 4.29Å; E612-L675 PolarHBondContact N-O 3.09Å; E612-L675 PolarHBondContact O-N 2.86Å |
| 613 | C | 92.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | trans | -133.6 | 119.2 | -179.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | V611 L615 I616 D617 F674 | V611-C613 HydrophobicContact CG1-CB 3.91Å; C613-L615 PolarHBondContact O-N 3.19Å; C613-I616 HydrophobicContact CB-CB 4.28Å; C613-I616 HydrophobicContact CB-CD1 4.15Å; C613-I616 HydrophobicContact CB-CG1 4.16Å; C613-I616 PolarHBondContact O-N 3.16Å; C613-D617 PolarHBondContact O-N 2.97Å; C613-F674 HydrophobicContact CB-CB 3.82Å; C613-F674 HydrophobicContact CB-CG 4.43Å | ||
| 614 | W | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.3 | -37.6 | 179.2 | 76.3 | -91.7 | 0 | 0 | 0 | 111.8 | L583 D617 Y618 A642 Y654 I658 I669 F672 | L583-W614 HydrophobicContact CD1-CH2 3.69Å; L583-W614 HydrophobicContact CD1-CZ2 3.45Å; L583-W614 VanDerWaalsContact CD1-CZ2 3.45Å; W614-D617 PolarHBondContact O-N 3.12Å; W614-Y618 HydrophobicContact CZ3-CD1 4.01Å; W614-Y618 HydrophobicContact CZ3-CG 4.38Å; W614-Y618 WeakPolarHBondContact O-CB 3.35Å; W614-Y618 PolarHBondContact O-N 2.96Å; W614-A642 HydrophobicContact CZ3-CB 4.45Å; W614-Y654 HydrophobicContact CB-CD1 3.67Å; W614-Y654 HydrophobicContact CB-CD2 4.12Å; W614-Y654 HydrophobicContact CB-CE1 4.34Å; W614-Y654 HydrophobicContact CB-CG 3.55Å; W614-I658 HydrophobicContact CD2-CD1 3.49Å; W614-I658 VanDerWaalsContact CD2-CD1 3.49Å; W614-I658 HydrophobicContact CD2-CG1 4.15Å; W614-I658 HydrophobicContact CE3-CD1 3.85Å; W614-I658 HydrophobicContact CG-CD1 3.82Å; W614-I658 HydrophobicContact CG-CG1 4.16Å; W614-I658 HydrophobicContact CH2-CD1 4.36Å; W614-I658 HydrophobicContact CZ2-CD1 4.06Å; W614-I658 HydrophobicContact CZ2-CG1 4.46Å; W614-I658 HydrophobicContact CZ3-CD1 4.27Å; W614-I669 HydrophobicContact CH2-CD1 3.42Å; W614-I669 VanDerWaalsContact CH2-CD1 3.42Å; W614-I669 HydrophobicContact CZ2-CD1 3.37Å; W614-I669 HydrophobicContact CZ3-CD1 4.49Å; W614-F672 AromaticContact CD1-CD2 3.86Å; W614-F672 AromaticContact NE1-CD2 3.27Å; W614-F672 VanDerWaalsContact NE1-CD2 3.27Å; W614-F672 AromaticContact NE1-CE2 3.92Å; W614-F672 AromaticContact NE1-CG 3.35Å |
| 615 | L | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -50.9 | -178.4 | -178.2 | 62.5 | 0 | 0 | 0 | 110 | I592 C613 D617 Y618 L619 F638 | I592-L615 HydrophobicContact CB-CD2 4.29Å; I592-L615 HydrophobicContact CG2-CD2 3.72Å; C613-L615 PolarHBondContact O-N 3.19Å; L615-D617 VanDerWaalsContact C-N 3.31Å; L615-D617 PolarHBondContact O-N 3.44Å; L615-Y618 HydrophobicContact CD1-CD1 4.49Å; L615-Y618 WeakPolarHBondContact O-CB 3.41Å; L615-Y618 PolarHBondContact O-N 3.36Å; L615-L619 HydrophobicContact CD1-CD2 4.22Å; L615-L619 HydrophobicContact CD1-CG 4.4Å; L615-L619 HydrophobicContact CG-CD1 4.46Å; L615-L619 VanDerWaalsContact O-CG 3.26Å; L615-L619 WeakPolarHBondContact O-CG 3.36Å; L615-L619 PolarHBondContact O-N 3.37Å; L615-F638 HydrophobicContact CD1-CZ 4.43Å |
| 616 | I | 91.7 | Very high | 89.3 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.205 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 179.9 | -66.9 | 178.8 | 0 | 0 | 0 | 111.4 | V596 C613 Y618 L619 R620 | V596-I616 HydrophobicContact CB-CD1 4.36Å; V596-I616 HydrophobicContact CG1-CD1 3.61Å; C613-I616 HydrophobicContact CB-CB 4.28Å; C613-I616 HydrophobicContact CB-CD1 4.15Å; C613-I616 HydrophobicContact CB-CG1 4.16Å; C613-I616 PolarHBondContact O-N 3.16Å; I616-Y618 VanDerWaalsContact C-N 3.34Å; I616-L619 PolarHBondContact O-N 3.23Å; I616-R620 PolarHBondContact O-N 3.39Å; I616-R620 VanDerWaalsContact O-N 3.08Å |
| 617 | D | 89.4 | Confident | 89 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.6 | -31.7 | -179.9 | -70 | -14.7 | 0 | 0 | 0 | 112.1 | C613 W614 L615 R620 F621 F645 Y654 | C613-D617 PolarHBondContact O-N 2.97Å; W614-D617 PolarHBondContact O-N 3.12Å; L615-D617 VanDerWaalsContact C-N 3.31Å; L615-D617 PolarHBondContact O-N 3.44Å; D617-R620 PolarHBondContact O-N 3.47Å; D617-R620 IonicContact OD1-CZ 2.84Å; D617-R620 IonicContact OD1-NH1 3.35Å; D617-R620 PolarHBondContact OD1-NH1 3.09Å; D617-R620 IonicContact OD1-NH2 2.66Å; D617-F621 WeakPolarHBondContact O-CB 3.22Å; D617-F621 PolarHBondContact O-N 3.12Å; D617-F645 HydrophobicContact CB-CZ 4.16Å; D617-Y654 HydrophobicContact CB-CE2 4.14Å; D617-Y654 PolarHBondContact OD2-OH 2.94Å |
| 618 | Y | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | 172 | 173.3 | -124.6 | 0 | 0 | 0 | 112.2 | W614 L615 I616 R620 F621 L622 F638 Y641 A642 F645 | W614-Y618 HydrophobicContact CZ3-CD1 4.01Å; W614-Y618 HydrophobicContact CZ3-CG 4.38Å; W614-Y618 WeakPolarHBondContact O-CB 3.35Å; W614-Y618 PolarHBondContact O-N 2.96Å; L615-Y618 HydrophobicContact CD1-CD1 4.49Å; L615-Y618 WeakPolarHBondContact O-CB 3.41Å; L615-Y618 PolarHBondContact O-N 3.36Å; I616-Y618 VanDerWaalsContact C-N 3.34Å; Y618-R620 VanDerWaalsContact C-N 3.28Å; Y618-R620 PolarHBondContact O-N 3.41Å; Y618-F621 HydrophobicContact CD2-CD1 4.32Å; Y618-F621 WeakPolarHBondContact O-CB 3.23Å; Y618-F621 PolarHBondContact O-N 3.22Å; Y618-F621 VanDerWaalsContact O-N 3.13Å; Y618-L622 HydrophobicContact CD2-CD1 4.49Å; Y618-L622 HydrophobicContact CD2-CG 4.17Å; Y618-L622 HydrophobicContact CE1-CD1 3.88Å; Y618-L622 HydrophobicContact CE2-CD1 3.79Å; Y618-L622 HydrophobicContact CE2-CD2 3.87Å; Y618-L622 HydrophobicContact CE2-CG 3.66Å; Y618-L622 VanDerWaalsContact CZ-CD1 3.45Å; Y618-L622 PolarHBondContact O-N 3.4Å; Y618-F638 HydrophobicContact CD1-CE2 4.46Å; Y618-F638 HydrophobicContact CD1-CZ 4.37Å; Y618-F638 HydrophobicContact CE1-CD2 4.21Å; Y618-F638 HydrophobicContact CE1-CE1 4.41Å; Y618-F638 AromaticContact CE1-CE2 3.67Å; Y618-F638 HydrophobicContact CE1-CE2 3.67Å; Y618-F638 AromaticContact CE1-CZ 3.78Å; Y618-F638 HydrophobicContact CE1-CZ 3.78Å; Y618-F638 PolarHBondContact OH-O 3.47Å; Y618-Y641 WeakPolarHBondContact OH-CB 3.42Å; Y618-A642 HydrophobicContact CE1-CB 4.13Å; Y618-A642 HydrophobicContact CE2-CB 4.33Å; Y618-A642 PolarHBondContact OH-N 2.94Å; Y618-A642 VanDerWaalsContact OH-N 3.11Å; Y618-F645 HydrophobicContact CD2-CB 3.7Å; Y618-F645 HydrophobicContact CD2-CD1 4.07Å; Y618-F645 HydrophobicContact CD2-CD2 4.11Å; Y618-F645 AromaticContact CD2-CG 3.71Å; Y618-F645 HydrophobicContact CD2-CG 3.71Å; Y618-F645 HydrophobicContact CE2-CB 4.03Å; Y618-F645 HydrophobicContact CG-CD1 4.42Å; Y618-F645 HydrophobicContact CG-CG 4.46Å |
| 619 | L | 90.2 | Very high | 88.4 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.5 | -57.8 | 176.8 | 0 | 0 | 0 | 110.7 | I593 L615 I616 F621 G623 I630 | I593-L619 HydrophobicContact CD1-CD1 3.65Å; I593-L619 HydrophobicContact CG1-CD1 4.44Å; L615-L619 HydrophobicContact CD1-CD2 4.22Å; L615-L619 HydrophobicContact CD1-CG 4.4Å; L615-L619 HydrophobicContact CG-CD1 4.46Å; L615-L619 VanDerWaalsContact O-CG 3.26Å; L615-L619 WeakPolarHBondContact O-CG 3.36Å; L615-L619 PolarHBondContact O-N 3.37Å; I616-L619 PolarHBondContact O-N 3.23Å; L619-F621 VanDerWaalsContact C-N 3.34Å; L619-G623 PolarHBondContact O-N 3.44Å; L619-G623 VanDerWaalsContact O-N 3.16Å; L619-I630 HydrophobicContact CB-CD1 3.95Å; L619-I630 HydrophobicContact CD2-CD1 3.22Å; L619-I630 HydrophobicContact CG-CD1 4.12Å |
| 620 | R | 87.4 | Confident | 88.2 | Confident | 153 Ų | 153 | 37.5 Ų | 37.5 | 58% | 0.577 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65 | -37.9 | 175.3 | -166.5 | -176.2 | -57.7 | 114.6 | 7.4 | 112 | I616 D617 Y618 G624 | I616-R620 PolarHBondContact O-N 3.39Å; I616-R620 VanDerWaalsContact O-N 3.08Å; D617-R620 PolarHBondContact O-N 3.47Å; D617-R620 IonicContact OD1-CZ 2.84Å; D617-R620 IonicContact OD1-NH1 3.35Å; D617-R620 PolarHBondContact OD1-NH1 3.09Å; D617-R620 IonicContact OD1-NH2 2.66Å; Y618-R620 VanDerWaalsContact C-N 3.28Å; Y618-R620 PolarHBondContact O-N 3.41Å; R620-G624 WeakPolarHBondContact O-CA 3.32Å; R620-G624 PolarHBondContact O-N 2.89Å |
| 621 | F | 87.6 | Confident | 87.8 | Confident | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 177.1 | 168.7 | -101.6 | 0 | 0 | 0 | 112.3 | D617 Y618 L619 Q625 M626 F645 M648 | D617-F621 WeakPolarHBondContact O-CB 3.22Å; D617-F621 PolarHBondContact O-N 3.12Å; Y618-F621 HydrophobicContact CD2-CD1 4.32Å; Y618-F621 WeakPolarHBondContact O-CB 3.23Å; Y618-F621 PolarHBondContact O-N 3.22Å; Y618-F621 VanDerWaalsContact O-N 3.13Å; L619-F621 VanDerWaalsContact C-N 3.34Å; F621-Q625 HydrophobicContact CD2-CB 4.04Å; F621-Q625 HydrophobicContact CD2-CG 4.43Å; F621-Q625 HydrophobicContact CE2-CB 4.18Å; F621-Q625 WeakPolarHBondContact O-CB 3.38Å; F621-Q625 PolarHBondContact O-N 3.2Å; F621-M626 HydrophobicContact CD1-SD 4.47Å; F621-M626 HydrophobicContact CE1-CE 3.3Å; F621-M626 HydrophobicContact CE1-CG 4.14Å; F621-M626 HydrophobicContact CE1-SD 3.7Å; F621-M626 HydrophobicContact CZ-CE 3.32Å; F621-M626 HydrophobicContact CZ-CG 4.17Å; F621-M626 HydrophobicContact CZ-SD 4.13Å; F621-M626 PolarHBondContact O-N 3.24Å; F621-F645 HydrophobicContact CB-CD2 3.82Å; F621-F645 HydrophobicContact CB-CE2 3.81Å; F621-F645 HydrophobicContact CD1-CB 4.25Å; F621-F645 AromaticContact CD1-CD2 3.62Å; F621-F645 HydrophobicContact CD1-CD2 3.62Å; F621-F645 HydrophobicContact CD1-CE2 4.47Å; F621-F645 HydrophobicContact CD1-CG 4.35Å; F621-F645 HydrophobicContact CD2-CD2 4.22Å; F621-F645 HydrophobicContact CE1-CB 4.23Å; F621-F645 HydrophobicContact CE1-CD2 4.19Å; F621-F645 AromaticContact CG-CD2 3.62Å; F621-F645 HydrophobicContact CG-CD2 3.62Å; F621-F645 HydrophobicContact CG-CE2 4.07Å; F621-M648 HydrophobicContact CD1-CE 4.33Å; F621-M648 HydrophobicContact CD2-CE 3.71Å; F621-M648 HydrophobicContact CE1-CE 3.92Å; F621-M648 HydrophobicContact CE2-CE 3.27Å; F621-M648 HydrophobicContact CE2-SD 3.91Å; F621-M648 HydrophobicContact CG-CE 4.21Å; F621-M648 HydrophobicContact CZ-CE 3.37Å; F621-M648 HydrophobicContact CZ-SD 4.12Å |
| 622 | L | 89.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -61.6 | -54.3 | 178.7 | -72.8 | -175.8 | 0 | 0 | 0 | 112.1 | Y618 M626 G627 I628 I630 L633 Y641 | Y618-L622 HydrophobicContact CD2-CD1 4.49Å; Y618-L622 HydrophobicContact CD2-CG 4.17Å; Y618-L622 HydrophobicContact CE1-CD1 3.88Å; Y618-L622 HydrophobicContact CE2-CD1 3.79Å; Y618-L622 HydrophobicContact CE2-CD2 3.87Å; Y618-L622 HydrophobicContact CE2-CG 3.66Å; Y618-L622 VanDerWaalsContact CZ-CD1 3.45Å; Y618-L622 PolarHBondContact O-N 3.4Å; L622-M626 HydrophobicContact CD2-SD 3.68Å; L622-M626 CarbonylContact O-C 3.6Å; L622-M626 WeakPolarHBondContact O-CB 3.47Å; L622-M626 PolarHBondContact O-N 2.89Å; L622-G627 PolarHBondContact O-N 3.47Å; L622-I628 PolarHBondContact O-N 2.95Å; L622-I630 HydrophobicContact CB-CD1 4.16Å; L622-I630 HydrophobicContact CB-CG1 4.13Å; L622-I630 HydrophobicContact CD1-CD1 3.82Å; L622-I630 HydrophobicContact CD1-CG1 3.68Å; L622-I630 HydrophobicContact CD1-CG2 4.45Å; L622-L633 HydrophobicContact CD1-CD1 3.98Å; L622-Y641 HydrophobicContact CD2-CG 4.27Å |
| 623 | G | 87.3 | Confident | 87.1 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -70.3 | -35.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L619 | L619-G623 PolarHBondContact O-N 3.44Å; L619-G623 VanDerWaalsContact O-N 3.16Å |
| 624 | G | 83.1 | Confident | 86.8 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | I | π-helix | trans | -85.8 | -51.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R620 | R620-G624 WeakPolarHBondContact O-CA 3.32Å; R620-G624 PolarHBondContact O-N 2.89Å |
| 625 | Q | 79.9 | Confident | 86.4 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -93.7 | -36.9 | -173.2 | -75.6 | -173.5 | -13.1 | 0 | 0 | 113.5 | N177 F621 | N177-Q625 PolarHBondContact ND2-NE2 3.49Å; N177-Q625 PolarHBondContact ND2-OE1 2.84Å; N177-Q625 PolarHBondContact OD1-NE2 3.43Å; F621-Q625 HydrophobicContact CD2-CB 4.04Å; F621-Q625 HydrophobicContact CD2-CG 4.43Å; F621-Q625 HydrophobicContact CE2-CB 4.18Å; F621-Q625 WeakPolarHBondContact O-CB 3.38Å; F621-Q625 PolarHBondContact O-N 3.2Å |
| 626 | M | 84.8 | Confident | 86 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 30% | 0.3 | 35% | 0.351 | S | S | . | . | I | π-helix | trans | -91.5 | -19.4 | 179 | -65.1 | -173.8 | 164.7 | 0 | 0 | 113.1 | F621 L622 I628 Y641 L644 | F621-M626 HydrophobicContact CD1-SD 4.47Å; F621-M626 HydrophobicContact CE1-CE 3.3Å; F621-M626 HydrophobicContact CE1-CG 4.14Å; F621-M626 HydrophobicContact CE1-SD 3.7Å; F621-M626 HydrophobicContact CZ-CE 3.32Å; F621-M626 HydrophobicContact CZ-CG 4.17Å; F621-M626 HydrophobicContact CZ-SD 4.13Å; F621-M626 PolarHBondContact O-N 3.24Å; L622-M626 HydrophobicContact CD2-SD 3.68Å; L622-M626 CarbonylContact O-C 3.6Å; L622-M626 WeakPolarHBondContact O-CB 3.47Å; L622-M626 PolarHBondContact O-N 2.89Å; M626-I628 HydrophobicContact CB-CB 4.27Å; M626-I628 HydrophobicContact CB-CD1 3.67Å; M626-I628 HydrophobicContact CB-CG1 3.75Å; M626-I628 HydrophobicContact CG-CD1 4.34Å; M626-I628 PolarHBondContact O-N 3.41Å; M626-I628 HydrophobicContact SD-CD1 3.81Å; M626-Y641 HydrophobicContact CE-CD1 3.99Å; M626-Y641 HydrophobicContact CE-CE1 4.26Å; M626-Y641 HydrophobicContact SD-CD1 3.72Å; M626-Y641 HydrophobicContact SD-CE1 3.88Å; M626-L644 HydrophobicContact CE-CD2 3.53Å; M626-L644 HydrophobicContact CE-CG 4.47Å |
| 627 | G | 85 | Confident | 85.8 | Confident | 65 Ų | 65 | 61 Ų | 61 | 67% | 0.67 | 35% | 0.352 | S | S | * | . | trans | 63.6 | 26.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L622 | L622-G627 PolarHBondContact O-N 3.47Š| ||
| 628 | I | 87 | Confident | 85.9 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.195 | 35% | 0.348 | C | S | . | . | trans | -96.6 | 126.9 | -178.1 | -66.6 | 173.6 | 0 | 0 | 0 | 108.7 | L622 M626 L633 Y641 | L622-I628 PolarHBondContact O-N 2.95Å; M626-I628 HydrophobicContact CB-CB 4.27Å; M626-I628 HydrophobicContact CB-CD1 3.67Å; M626-I628 HydrophobicContact CB-CG1 3.75Å; M626-I628 HydrophobicContact CG-CD1 4.34Å; M626-I628 PolarHBondContact O-N 3.41Å; M626-I628 HydrophobicContact SD-CD1 3.81Å; I628-L633 HydrophobicContact CG2-CD1 3.96Å; I628-L633 HydrophobicContact CG2-CD2 3.88Å; I628-L633 HydrophobicContact CG2-CG 3.94Å; I628-Y641 HydrophobicContact CD1-CE1 3.84Å; I628-Y641 HydrophobicContact CD1-CE2 4.14Å | ||
| 629 | D | 84.4 | Confident | 85.8 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | trans | -76.8 | 132.1 | 164.8 | -160.3 | -20.7 | 0 | 0 | 0 | 109.6 | D631 D632 | D629-D631 VanDerWaalsContact C-N 3.33Å; D629-D631 PolarHBondContact OD1-N 3.16Å; D629-D632 PolarHBondContact O-N 2.89Å | ||
| 630 | I | 82.7 | Confident | 85.7 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -76.7 | -29.8 | -171.9 | -52.3 | -176.8 | 0 | 0 | 0 | 110.1 | L619 L622 D632 L633 F638 | L619-I630 HydrophobicContact CB-CD1 3.95Å; L619-I630 HydrophobicContact CD2-CD1 3.22Å; L619-I630 HydrophobicContact CG-CD1 4.12Å; L622-I630 HydrophobicContact CB-CD1 4.16Å; L622-I630 HydrophobicContact CB-CG1 4.13Å; L622-I630 HydrophobicContact CD1-CD1 3.82Å; L622-I630 HydrophobicContact CD1-CG1 3.68Å; L622-I630 HydrophobicContact CD1-CG2 4.45Å; I630-D632 PolarHBondContact O-N 3.26Å; I630-L633 WeakPolarHBondContact O-CB 3.49Å; I630-L633 PolarHBondContact O-N 3.24Å; I630-L633 VanDerWaalsContact O-N 3.16Å; I630-F638 HydrophobicContact CG2-CD2 3.99Å; I630-F638 HydrophobicContact CG2-CE2 4.06Å |
| 631 | D | 81.1 | Confident | 85.9 | Confident | 96 Ų | 96 | 59.2 Ų | 59.2 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.5 | 178.3 | -67.2 | -28.8 | 0 | 0 | 0 | 112.3 | R589 D629 L633 | R589-D631 IonicContact CZ-OD1 3.7Å; R589-D631 IonicContact NH2-OD1 3.72Å; R589-D631 PolarHBondContact NH2-OD1 3.03Å; D629-D631 VanDerWaalsContact C-N 3.33Å; D629-D631 PolarHBondContact OD1-N 3.16Å; D631-L633 VanDerWaalsContact C-N 3.34Å |
| 632 | D | 83.9 | Confident | 86 | Confident | 138 Ų | 138 | 58.1 Ų | 58.1 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.4 | 171.6 | -69.1 | -23.4 | 0 | 0 | 0 | 112.9 | D629 I630 | D629-D632 PolarHBondContact O-N 2.89Å; I630-D632 PolarHBondContact O-N 3.26Å |
| 633 | L | 85 | Confident | 86.1 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -81.1 | 132.8 | -178.2 | -63.7 | 174.6 | 0 | 0 | 0 | 111.2 | L622 I628 I630 D631 Y641 | L622-L633 HydrophobicContact CD1-CD1 3.98Å; I628-L633 HydrophobicContact CG2-CD1 3.96Å; I628-L633 HydrophobicContact CG2-CD2 3.88Å; I628-L633 HydrophobicContact CG2-CG 3.94Å; I630-L633 WeakPolarHBondContact O-CB 3.49Å; I630-L633 PolarHBondContact O-N 3.24Å; I630-L633 VanDerWaalsContact O-N 3.16Å; D631-L633 VanDerWaalsContact C-N 3.34Å; L633-Y641 HydrophobicContact CD1-CD2 4.03Å; L633-Y641 HydrophobicContact CD2-CD2 3.84Å; L633-Y641 HydrophobicContact CD2-CE2 3.58Å |
| 634 | N | 85.2 | Confident | 86.2 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | trans | -70.5 | 165 | 165.8 | 72.1 | 50.6 | 0 | 0 | 0 | 110.8 | N636 S637 F638 | N634-N636 VanDerWaalsContact C-N 3.27Å; N634-N636 PolarHBondContact O-N 3.37Å; N634-N636 PolarHBondContact OD1-N 3.19Å; N634-S637 PolarHBondContact ND2-OG 2.91Å; N634-S637 VanDerWaalsContact ND2-OG 3.16Å; N634-S637 PolarHBondContact O-N 2.83Å; N634-S637 WeakPolarHBondContact OD1-CB 3.38Å; N634-S637 PolarHBondContact OD1-N 3.46Å; N634-S637 PolarHBondContact OD1-OG 3.48Å; N634-S637 VanDerWaalsContact OD1-OG 3.1Å; N634-F638 PolarHBondContact O-N 2.88Å | ||
| 635 | N | 84.1 | Confident | 86.5 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.5 | -42 | -178.7 | -78.5 | -20.5 | 0 | 0 | 0 | 113.3 | N582 A584 Y639 | N582-N635 PolarHBondContact ND2-OD1 2.9Å; A584-N635 HydrophobicContact CB-CB 4.28Å; A584-N635 WeakPolarHBondContact CB-OD1 3.44Å; N635-Y639 WeakPolarHBondContact O-CD2 3.34Å |
| 636 | N | 85.6 | Confident | 87 | Confident | 89 Ų | 89 | 54.8 Ų | 54.8 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.3 | -46.9 | -175.7 | -67.3 | 7 | 0 | 0 | 0 | 110.7 | N634 F638 Y639 D640 | N634-N636 VanDerWaalsContact C-N 3.27Å; N634-N636 PolarHBondContact O-N 3.37Å; N634-N636 PolarHBondContact OD1-N 3.19Å; N636-F638 PolarHBondContact O-N 3.37Å; N636-Y639 PolarHBondContact O-N 3.43Å; N636-D640 PolarHBondContact O-N 3.07Å |
| 637 | S | 87.9 | Confident | 87.2 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.2 | -37 | 177 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | N634 Y639 D640 Y641 | N634-S637 PolarHBondContact ND2-OG 2.91Å; N634-S637 VanDerWaalsContact ND2-OG 3.16Å; N634-S637 PolarHBondContact O-N 2.83Å; N634-S637 WeakPolarHBondContact OD1-CB 3.38Å; N634-S637 PolarHBondContact OD1-N 3.46Å; N634-S637 PolarHBondContact OD1-OG 3.48Å; N634-S637 VanDerWaalsContact OD1-OG 3.1Å; S637-Y639 VanDerWaalsContact C-N 3.32Å; S637-Y639 PolarHBondContact O-N 2.9Å; S637-D640 PolarHBondContact O-N 3.46Å; S637-Y641 WeakPolarHBondContact O-CD2 3.4Å; S637-Y641 PolarHBondContact O-N 2.99Å |
| 638 | F | 90.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 173.3 | 176 | -87.5 | 0 | 0 | 0 | 112.4 | L583 A584 L615 Y618 I630 N634 N636 A642 | L583-F638 HydrophobicContact CB-CE1 3.69Å; L583-F638 HydrophobicContact CB-CZ 3.8Å; L583-F638 WeakPolarHBondContact O-CZ 3.49Å; A584-F638 HydrophobicContact CB-CB 3.85Å; A584-F638 HydrophobicContact CB-CD1 4.01Å; A584-F638 HydrophobicContact CB-CD2 4.4Å; A584-F638 HydrophobicContact CB-CG 3.82Å; L615-F638 HydrophobicContact CD1-CZ 4.43Å; Y618-F638 HydrophobicContact CD1-CE2 4.46Å; Y618-F638 HydrophobicContact CD1-CZ 4.37Å; Y618-F638 HydrophobicContact CE1-CD2 4.21Å; Y618-F638 HydrophobicContact CE1-CE1 4.41Å; Y618-F638 AromaticContact CE1-CE2 3.67Å; Y618-F638 HydrophobicContact CE1-CE2 3.67Å; Y618-F638 AromaticContact CE1-CZ 3.78Å; Y618-F638 HydrophobicContact CE1-CZ 3.78Å; Y618-F638 PolarHBondContact OH-O 3.47Å; I630-F638 HydrophobicContact CG2-CD2 3.99Å; I630-F638 HydrophobicContact CG2-CE2 4.06Å; N634-F638 PolarHBondContact O-N 2.88Å; N636-F638 PolarHBondContact O-N 3.37Å; F638-A642 WeakPolarHBondContact O-CB 3.31Å; F638-A642 PolarHBondContact O-N 2.88Å; F638-A642 VanDerWaalsContact O-N 3.13Å |
| 639 | Y | 89.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.9 | -32.1 | 179.8 | -64.7 | -70.7 | 0 | 0 | 0 | 112.4 | N582 L583 N635 N636 S637 A642 L643 W660 D667 I669 | N582-Y639 PolarHBondContact OD1-OH 2.73Å; L583-Y639 PolarHBondContact N-OH 3.02Å; N635-Y639 WeakPolarHBondContact O-CD2 3.34Å; N636-Y639 PolarHBondContact O-N 3.43Å; S637-Y639 VanDerWaalsContact C-N 3.32Å; S637-Y639 PolarHBondContact O-N 2.9Å; Y639-A642 WeakPolarHBondContact O-CB 3.15Å; Y639-A642 PolarHBondContact O-N 3.28Å; Y639-L643 WeakPolarHBondContact O-CG 3.21Å; Y639-L643 PolarHBondContact O-N 2.89Å; Y639-W660 HydrophobicContact CD1-CH2 4.39Å; Y639-W660 HydrophobicContact CD1-CZ3 4.01Å; Y639-D667 WeakPolarHBondContact CB-O 3.15Å; Y639-D667 WeakPolarHBondContact CD1-O 3.48Å; Y639-D667 VanDerWaalsContact CD2-O 3.25Å; Y639-D667 WeakPolarHBondContact CD2-O 3.35Å; Y639-I669 HydrophobicContact CE1-CD1 4.35Å; Y639-I669 HydrophobicContact CE1-CG1 4.23Å |
| 640 | D | 89.1 | Confident | 86.5 | Confident | 88 Ų | 88 | 57 Ų | 57 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 173.1 | -66.7 | -31.9 | 0 | 0 | 0 | 111.3 | N636 S637 A642 L643 L644 | N636-D640 PolarHBondContact O-N 3.07Å; S637-D640 PolarHBondContact O-N 3.46Å; D640-A642 VanDerWaalsContact C-N 3.32Å; D640-A642 PolarHBondContact O-N 3.37Å; D640-L643 PolarHBondContact O-N 3.22Å; D640-L644 PolarHBondContact O-N 3.32Å |
| 641 | Y | 90.3 | Very high | 86.6 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 175.4 | -77.5 | -64.3 | 0 | 0 | 0 | 112.4 | Y618 L622 M626 I628 L633 S637 L644 F645 | Y618-Y641 WeakPolarHBondContact OH-CB 3.42Å; L622-Y641 HydrophobicContact CD2-CG 4.27Å; M626-Y641 HydrophobicContact CE-CD1 3.99Å; M626-Y641 HydrophobicContact CE-CE1 4.26Å; M626-Y641 HydrophobicContact SD-CD1 3.72Å; M626-Y641 HydrophobicContact SD-CE1 3.88Å; I628-Y641 HydrophobicContact CD1-CE1 3.84Å; I628-Y641 HydrophobicContact CD1-CE2 4.14Å; L633-Y641 HydrophobicContact CD1-CD2 4.03Å; L633-Y641 HydrophobicContact CD2-CD2 3.84Å; L633-Y641 HydrophobicContact CD2-CE2 3.58Å; S637-Y641 WeakPolarHBondContact O-CD2 3.4Å; S637-Y641 PolarHBondContact O-N 2.99Å; Y641-L644 HydrophobicContact CD1-CD2 4.28Å; Y641-L644 PolarHBondContact O-N 3.15Å; Y641-F645 WeakPolarHBondContact O-CB 3.21Å; Y641-F645 PolarHBondContact O-N 2.93Å |
| 642 | A | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | W614 Y618 F638 Y639 D640 L644 F645 L646 | W614-A642 HydrophobicContact CZ3-CB 4.45Å; Y618-A642 HydrophobicContact CE1-CB 4.13Å; Y618-A642 HydrophobicContact CE2-CB 4.33Å; Y618-A642 PolarHBondContact OH-N 2.94Å; Y618-A642 VanDerWaalsContact OH-N 3.11Å; F638-A642 WeakPolarHBondContact O-CB 3.31Å; F638-A642 PolarHBondContact O-N 2.88Å; F638-A642 VanDerWaalsContact O-N 3.13Å; Y639-A642 WeakPolarHBondContact O-CB 3.15Å; Y639-A642 PolarHBondContact O-N 3.28Å; D640-A642 VanDerWaalsContact C-N 3.32Å; D640-A642 PolarHBondContact O-N 3.37Å; A642-L644 PolarHBondContact O-N 3.26Å; A642-F645 WeakPolarHBondContact O-CB 3.38Å; A642-F645 PolarHBondContact O-N 3.43Å; A642-L646 WeakPolarHBondContact O-CB 3.45Å; A642-L646 WeakPolarHBondContact O-CD1 3.04Å; A642-L646 WeakPolarHBondContact O-CG 3.34Å; A642-L646 PolarHBondContact O-N 3.5Å |
| 643 | L | 90.1 | Very high | 86.3 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 174.7 | -72.2 | 171.7 | 0 | 0 | 0 | 111.7 | Y639 D640 F645 L646 N647 W660 | Y639-L643 WeakPolarHBondContact O-CG 3.21Å; Y639-L643 PolarHBondContact O-N 2.89Å; D640-L643 PolarHBondContact O-N 3.22Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 2.88Å; L643-L646 PolarHBondContact O-N 2.8Å; L643-N647 VanDerWaalsContact O-CB 3.31Å; L643-N647 WeakPolarHBondContact O-CB 3.39Å; L643-N647 VanDerWaalsContact O-CG 3.23Å; L643-N647 PolarHBondContact O-N 2.89Å; L643-N647 PolarHBondContact O-ND2 2.81Å; L643-N647 VanDerWaalsContact O-ND2 3.1Å; L643-W660 HydrophobicContact CD2-CH2 3.93Å; L643-W660 HydrophobicContact CD2-CZ2 3.59Å; L643-W660 HydrophobicContact CG-CH2 4.21Å; L643-W660 HydrophobicContact CG-CZ2 4.34Å |
| 644 | L | 89.6 | Confident | 86.5 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 172.5 | 179.1 | 62.3 | 0 | 0 | 0 | 111.3 | M626 D640 Y641 A642 L646 N647 M648 | M626-L644 HydrophobicContact CE-CD2 3.53Å; M626-L644 HydrophobicContact CE-CG 4.47Å; D640-L644 PolarHBondContact O-N 3.32Å; Y641-L644 HydrophobicContact CD1-CD2 4.28Å; Y641-L644 PolarHBondContact O-N 3.15Å; A642-L644 PolarHBondContact O-N 3.26Å; L644-L646 PolarHBondContact O-N 3.34Å; L644-N647 PolarHBondContact O-N 3.23Å; L644-M648 PolarHBondContact O-N 3.36Å |
| 645 | F | 90.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.022 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.8 | 170.7 | -95.8 | 0 | 0 | 0 | 112.6 | D617 Y618 F621 Y641 A642 L643 N647 M648 N651 Y654 | D617-F645 HydrophobicContact CB-CZ 4.16Å; Y618-F645 HydrophobicContact CD2-CB 3.7Å; Y618-F645 HydrophobicContact CD2-CD1 4.07Å; Y618-F645 HydrophobicContact CD2-CD2 4.11Å; Y618-F645 AromaticContact CD2-CG 3.71Å; Y618-F645 HydrophobicContact CD2-CG 3.71Å; Y618-F645 HydrophobicContact CE2-CB 4.03Å; Y618-F645 HydrophobicContact CG-CD1 4.42Å; Y618-F645 HydrophobicContact CG-CG 4.46Å; F621-F645 HydrophobicContact CB-CD2 3.82Å; F621-F645 HydrophobicContact CB-CE2 3.81Å; F621-F645 HydrophobicContact CD1-CB 4.25Å; F621-F645 AromaticContact CD1-CD2 3.62Å; F621-F645 HydrophobicContact CD1-CD2 3.62Å; F621-F645 HydrophobicContact CD1-CE2 4.47Å; F621-F645 HydrophobicContact CD1-CG 4.35Å; F621-F645 HydrophobicContact CD2-CD2 4.22Å; F621-F645 HydrophobicContact CE1-CB 4.23Å; F621-F645 HydrophobicContact CE1-CD2 4.19Å; F621-F645 AromaticContact CG-CD2 3.62Å; F621-F645 HydrophobicContact CG-CD2 3.62Å; F621-F645 HydrophobicContact CG-CE2 4.07Å; Y641-F645 WeakPolarHBondContact O-CB 3.21Å; Y641-F645 PolarHBondContact O-N 2.93Å; A642-F645 WeakPolarHBondContact O-CB 3.38Å; A642-F645 PolarHBondContact O-N 3.43Å; L643-F645 VanDerWaalsContact C-N 3.34Å; L643-F645 PolarHBondContact O-N 2.88Å; F645-N647 VanDerWaalsContact C-N 3.33Å; F645-M648 HydrophobicContact CB-CE 4.11Å; F645-M648 HydrophobicContact CD2-CE 3.41Å; F645-M648 VanDerWaalsContact CD2-CE 3.41Å; F645-M648 HydrophobicContact CE2-CE 4.17Å; F645-M648 HydrophobicContact CG-CE 4.05Å; F645-M648 WeakPolarHBondContact O-CB 3.26Å; F645-M648 PolarHBondContact O-N 3.46Å; F645-N651 WeakPolarHBondContact CD2-ND2 3.24Å; F645-N651 HydrophobicContact CE1-CB 4.31Å; F645-N651 WeakPolarHBondContact CE2-ND2 3.06Å; F645-N651 HydrophobicContact CZ-CB 4.41Å; F645-N651 VanDerWaalsContact CZ-ND2 3.3Å; F645-N651 WeakPolarHBondContact CZ-ND2 3.42Å; F645-N651 WeakPolarHBondContact O-CB 3.5Å; F645-N651 PolarHBondContact O-ND2 3.03Å; F645-Y654 AromaticContact CE1-CD2 4Å; F645-Y654 HydrophobicContact CE1-CD2 4Å; F645-Y654 HydrophobicContact CZ-CD2 4.1Å; F645-Y654 HydrophobicContact CZ-CE2 4.39Å |
| 646 | L | 90.1 | Very high | 86.6 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73 | -25 | -178.5 | -65 | 166.2 | 0 | 0 | 0 | 113.1 | A642 L643 L644 M648 R655 I658 W660 | A642-L646 WeakPolarHBondContact O-CB 3.45Å; A642-L646 WeakPolarHBondContact O-CD1 3.04Å; A642-L646 WeakPolarHBondContact O-CG 3.34Å; A642-L646 PolarHBondContact O-N 3.5Å; L643-L646 PolarHBondContact O-N 2.8Å; L644-L646 PolarHBondContact O-N 3.34Å; L646-M648 VanDerWaalsContact C-N 3.3Å; L646-R655 HydrophobicContact CB-CB 4.41Å; L646-I658 HydrophobicContact CD1-CD1 3.53Å; L646-I658 HydrophobicContact CD2-CD1 3.61Å; L646-I658 HydrophobicContact CG-CD1 4.18Å; L646-W660 HydrophobicContact CD1-CZ2 3.71Å |
| 647 | N | 88.3 | Confident | 86.8 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -81.4 | -8.6 | 176.2 | -75.1 | -31.5 | 0 | 0 | 0 | 113.3 | L643 L644 F645 | L643-N647 VanDerWaalsContact O-CB 3.31Å; L643-N647 WeakPolarHBondContact O-CB 3.39Å; L643-N647 VanDerWaalsContact O-CG 3.23Å; L643-N647 PolarHBondContact O-N 2.89Å; L643-N647 PolarHBondContact O-ND2 2.81Å; L643-N647 VanDerWaalsContact O-ND2 3.1Å; L644-N647 PolarHBondContact O-N 3.23Å; F645-N647 VanDerWaalsContact C-N 3.33Å |
| 648 | M | 86.4 | Confident | 87.1 | Confident | 46 Ų | 46 | 45.8 Ų | 45.8 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -64.8 | 136.9 | 171.6 | -69.4 | -166.6 | -86.3 | 0 | 0 | 110.8 | F621 L644 F645 L646 N650 N651 | F621-M648 HydrophobicContact CD1-CE 4.33Å; F621-M648 HydrophobicContact CD2-CE 3.71Å; F621-M648 HydrophobicContact CE1-CE 3.92Å; F621-M648 HydrophobicContact CE2-CE 3.27Å; F621-M648 HydrophobicContact CE2-SD 3.91Å; F621-M648 HydrophobicContact CG-CE 4.21Å; F621-M648 HydrophobicContact CZ-CE 3.37Å; F621-M648 HydrophobicContact CZ-SD 4.12Å; L644-M648 PolarHBondContact O-N 3.36Å; F645-M648 HydrophobicContact CB-CE 4.11Å; F645-M648 HydrophobicContact CD2-CE 3.41Å; F645-M648 VanDerWaalsContact CD2-CE 3.41Å; F645-M648 HydrophobicContact CE2-CE 4.17Å; F645-M648 HydrophobicContact CG-CE 4.05Å; F645-M648 WeakPolarHBondContact O-CB 3.26Å; F645-M648 PolarHBondContact O-N 3.46Å; L646-M648 VanDerWaalsContact C-N 3.3Å; M648-N650 PolarHBondContact O-N 2.98Å; M648-N650 VanDerWaalsContact O-N 3.07Å; M648-N651 WeakPolarHBondContact CE-ND2 3.44Å; M648-N651 PolarHBondContact O-N 3.48Å |
| 649 | P | 79.5 | Confident | 87.1 | Confident | 97 Ų | 97 | 47.5 Ų | 47.5 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -52 | -36.1 | -178.5 | -28.8 | 34.6 | 0 | 0 | 0 | 114.4 | N651 | P649-N651 VanDerWaalsContact C-N 3.29Å; P649-N651 PolarHBondContact O-N 2.92Å |
| 650 | N | 77.3 | Confident | 87.2 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -73.1 | -20.3 | -177.1 | -64.4 | -2.1 | 0 | 0 | 0 | 113.6 | Q178 M648 | Q178-N650 HydrophobicContact CB-CB 4Å; Q178-N650 HydrophobicContact CG-CB 4.39Å; M648-N650 PolarHBondContact O-N 2.98Å; M648-N650 VanDerWaalsContact O-N 3.07Å |
| 651 | N | 84.6 | Confident | 87.1 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -106.6 | 12.1 | -174 | -65 | -27.5 | 0 | 0 | 0 | 112.9 | F645 M648 P649 A653 Y654 R655 | F645-N651 WeakPolarHBondContact CD2-ND2 3.24Å; F645-N651 HydrophobicContact CE1-CB 4.31Å; F645-N651 WeakPolarHBondContact CE2-ND2 3.06Å; F645-N651 HydrophobicContact CZ-CB 4.41Å; F645-N651 VanDerWaalsContact CZ-ND2 3.3Å; F645-N651 WeakPolarHBondContact CZ-ND2 3.42Å; F645-N651 WeakPolarHBondContact O-CB 3.5Å; F645-N651 PolarHBondContact O-ND2 3.03Å; M648-N651 WeakPolarHBondContact CE-ND2 3.44Å; M648-N651 PolarHBondContact O-N 3.48Å; P649-N651 VanDerWaalsContact C-N 3.29Å; P649-N651 PolarHBondContact O-N 2.92Å; N651-A653 PolarHBondContact O-N 2.97Å; N651-A653 VanDerWaalsContact O-N 3.14Å; N651-Y654 HydrophobicContact CB-CD2 4.18Å; N651-Y654 WeakPolarHBondContact O-CB 3.07Å; N651-Y654 PolarHBondContact O-N 2.82Å; N651-R655 PolarHBondContact O-N 3.41Å |
| 652 | E | 78.1 | Confident | 86.6 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.8 | -35.5 | -178.3 | -178.4 | 179.3 | 150.6 | 0 | 0 | 112.4 | R142 Y654 R655 K656 | R142-E652 IonicContact CZ-OE2 3.02Å; R142-E652 IonicContact NE-OE2 2.64Å; R142-E652 PolarHBondContact NE-OE2 3.5Å; R142-E652 IonicContact NH2-OE2 3.87Å; R142-E652 PolarHBondContact NH2-OE2 3.05Å; E652-Y654 VanDerWaalsContact C-N 3.27Å; E652-Y654 PolarHBondContact O-N 3.11Å; E652-R655 WeakPolarHBondContact O-CB 3.38Å; E652-R655 PolarHBondContact O-N 3.36Å; E652-K656 IonicContact OE1-NZ 3.35Å; E652-K656 PolarHBondContact OE1-NZ 3.03Å |
| 653 | A | 80.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 64 Ų | 64 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N651 R655 K656 | N651-A653 PolarHBondContact O-N 2.97Å; N651-A653 VanDerWaalsContact O-N 3.14Å; A653-R655 VanDerWaalsContact C-N 3.34Å; A653-R655 PolarHBondContact O-N 2.97Å; A653-K656 PolarHBondContact O-N 2.67Å |
| 654 | Y | 88.7 | Confident | 84 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.2 | -29.7 | 179.2 | -67.1 | -38.6 | 0 | 0 | 0 | 113.3 | W614 D617 F645 N651 E652 K656 D657 | W614-Y654 HydrophobicContact CB-CD1 3.67Å; W614-Y654 HydrophobicContact CB-CD2 4.12Å; W614-Y654 HydrophobicContact CB-CE1 4.34Å; W614-Y654 HydrophobicContact CB-CG 3.55Å; D617-Y654 HydrophobicContact CB-CE2 4.14Å; D617-Y654 PolarHBondContact OD2-OH 2.94Å; F645-Y654 AromaticContact CE1-CD2 4Å; F645-Y654 HydrophobicContact CE1-CD2 4Å; F645-Y654 HydrophobicContact CZ-CD2 4.1Å; F645-Y654 HydrophobicContact CZ-CE2 4.39Å; N651-Y654 HydrophobicContact CB-CD2 4.18Å; N651-Y654 WeakPolarHBondContact O-CB 3.07Å; N651-Y654 PolarHBondContact O-N 2.82Å; E652-Y654 VanDerWaalsContact C-N 3.27Å; E652-Y654 PolarHBondContact O-N 3.11Å; Y654-K656 PolarHBondContact O-N 2.76Å; Y654-D657 WeakPolarHBondContact O-CB 3.37Å; Y654-D657 PolarHBondContact O-N 2.88Å |
| 655 | R | 87 | Confident | 82.8 | Confident | 150 Ų | 150 | 65 Ų | 65 | 57% | 0.566 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.6 | -36 | 173.9 | -174.8 | 179.1 | 174.8 | -172.9 | -0.6 | 111.9 | L646 N651 E652 A653 D657 | L646-R655 HydrophobicContact CB-CB 4.41Å; N651-R655 PolarHBondContact O-N 3.41Å; E652-R655 WeakPolarHBondContact O-CB 3.38Å; E652-R655 PolarHBondContact O-N 3.36Å; A653-R655 VanDerWaalsContact C-N 3.34Å; A653-R655 PolarHBondContact O-N 2.97Å; R655-D657 VanDerWaalsContact C-N 3.28Å |
| 656 | K | 84.3 | Confident | 81.6 | Confident | 67 Ų | 67 | 67.6 Ų | 67.6 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.6 | 178.1 | -65.3 | 177.6 | -178.8 | 136.8 | 0 | 113.2 | W72 G78 E652 A653 Y654 I658 | W72-K656 VanDerWaalsContact CD1-O 3.24Å; W72-K656 PolarHBondContact NE1-O 3.17Å; W72-K656 VanDerWaalsContact NE1-O 3.07Å; G78-K656 VanDerWaalsContact C-NZ 3.32Å; G78-K656 WeakPolarHBondContact O-CD 3.43Å; G78-K656 WeakPolarHBondContact O-CE 3.33Å; G78-K656 PolarHBondContact O-NZ 3.37Å; E652-K656 IonicContact OE1-NZ 3.35Å; E652-K656 PolarHBondContact OE1-NZ 3.03Å; A653-K656 PolarHBondContact O-N 2.67Å; Y654-K656 PolarHBondContact O-N 2.76Å; K656-I658 VanDerWaalsContact C-N 3.29Å |
| 657 | D | 90.5 | Very high | 80.8 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.6 | 177.5 | -66.1 | -25.4 | 0 | 0 | 0 | 112 | R83 Y654 R655 F672 R673 | R83-D657 WeakPolarHBondContact CD-OD1 3.4Å; R83-D657 IonicContact CZ-OD2 3.57Å; R83-D657 IonicContact NE-OD1 3.76Å; R83-D657 PolarHBondContact NE-OD1 3.43Å; R83-D657 IonicContact NE-OD2 3.77Å; R83-D657 PolarHBondContact NE-OD2 3.48Å; R83-D657 IonicContact NH2-OD2 3.67Å; Y654-D657 WeakPolarHBondContact O-CB 3.37Å; Y654-D657 PolarHBondContact O-N 2.88Å; R655-D657 VanDerWaalsContact C-N 3.28Å; D657-F672 CarbonylContact O-C 3.6Å; D657-F672 WeakPolarHBondContact O-CA 3.14Å; D657-F672 WeakPolarHBondContact O-CB 3.23Å; D657-R673 HydrophobicContact CB-CG 3.8Å; D657-R673 PolarHBondContact O-N 3.07Å; D657-R673 IonicContact OD1-CZ 2.78Å; D657-R673 IonicContact OD1-NE 2.98Å; D657-R673 PolarHBondContact OD1-NE 3.46Å; D657-R673 IonicContact OD1-NH2 3.5Å; D657-R673 PolarHBondContact OD1-NH2 2.85Å |
| 658 | I | 92.7 | Very high | 80.6 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.2 | -174.9 | -60.5 | 169 | 0 | 0 | 0 | 110.3 | W614 L646 K656 W660 I669 F672 | W614-I658 HydrophobicContact CD2-CD1 3.49Å; W614-I658 VanDerWaalsContact CD2-CD1 3.49Å; W614-I658 HydrophobicContact CD2-CG1 4.15Å; W614-I658 HydrophobicContact CE3-CD1 3.85Å; W614-I658 HydrophobicContact CG-CD1 3.82Å; W614-I658 HydrophobicContact CG-CG1 4.16Å; W614-I658 HydrophobicContact CH2-CD1 4.36Å; W614-I658 HydrophobicContact CZ2-CD1 4.06Å; W614-I658 HydrophobicContact CZ2-CG1 4.46Å; W614-I658 HydrophobicContact CZ3-CD1 4.27Å; L646-I658 HydrophobicContact CD1-CD1 3.53Å; L646-I658 HydrophobicContact CD2-CD1 3.61Å; L646-I658 HydrophobicContact CG-CD1 4.18Å; K656-I658 VanDerWaalsContact C-N 3.29Å; I658-W660 HydrophobicContact CG2-CD2 4.27Å; I658-W660 HydrophobicContact CG2-CZ2 4.05Å; I658-I669 HydrophobicContact CD1-CD1 4.48Å; I658-I669 HydrophobicContact CG2-CB 4.36Å; I658-I669 HydrophobicContact CG2-CD1 3.81Å; I658-I669 HydrophobicContact CG2-CG1 3.74Å; I658-I669 HydrophobicContact CG2-CG2 3.8Å; I658-F672 HydrophobicContact CG1-CB 4.1Å |
| 659 | I | 91.6 | Very high | 80.8 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.4 | 173.1 | -58.6 | 167.6 | 0 | 0 | 0 | 107.6 | L71 W72 K670 A671 | L71-I659 HydrophobicContact CB-CD1 3.65Å; L71-I659 HydrophobicContact CD2-CD1 3.96Å; L71-I659 HydrophobicContact CG-CD1 4.36Å; L71-I659 WeakPolarHBondContact O-CD1 3.48Å; W72-I659 HydrophobicContact CD2-CD1 4.25Å; W72-I659 HydrophobicContact CZ2-CD1 3.95Å; W72-I659 HydrophobicContact CZ2-CG1 4.38Å; I659-K670 HydrophobicContact CG2-CB 4.3Å; I659-K670 HydrophobicContact CG2-CD 4.14Å; I659-K670 WeakPolarHBondContact O-CB 3.39Å; I659-K670 PolarHBondContact O-N 3.2Å; I659-A671 HydrophobicContact CD1-CB 4.4Å; I659-A671 PolarHBondContact N-O 3.12Å; I659-A671 PolarHBondContact O-N 2.92Å |
| 660 | W | 90.4 | Very high | 81.3 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 25% | 0.254 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 153.7 | 178.7 | -60.2 | 92.8 | 0 | 0 | 0 | 111.1 | Y639 L643 L646 I658 E662 D667 I669 | Y639-W660 HydrophobicContact CD1-CH2 4.39Å; Y639-W660 HydrophobicContact CD1-CZ3 4.01Å; L643-W660 HydrophobicContact CD2-CH2 3.93Å; L643-W660 HydrophobicContact CD2-CZ2 3.59Å; L643-W660 HydrophobicContact CG-CH2 4.21Å; L643-W660 HydrophobicContact CG-CZ2 4.34Å; L646-W660 HydrophobicContact CD1-CZ2 3.71Å; I658-W660 HydrophobicContact CG2-CD2 4.27Å; I658-W660 HydrophobicContact CG2-CZ2 4.05Å; W660-E662 PolarHBondContact O-N 2.63Å; W660-D667 HydrophobicContact CE3-CB 4.27Å; W660-D667 HydrophobicContact CZ3-CB 4.06Å; W660-I669 HydrophobicContact CD2-CG1 4.48Å; W660-I669 HydrophobicContact CE3-CG1 3.93Å; W660-I669 HydrophobicContact CH2-CD1 4.28Å; W660-I669 HydrophobicContact CH2-CG1 4.01Å; W660-I669 HydrophobicContact CZ3-CD1 4.4Å; W660-I669 HydrophobicContact CZ3-CG1 3.68Å |
| 661 | E | 87.5 | Confident | 82.1 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 46% | 0.458 | 34% | 0.336 | S | S | . | . | trans | -79.5 | 113.9 | 176.9 | -174.1 | 168.6 | -157.1 | 0 | 0 | 110.8 | S664 R668 K670 | E661-S664 PolarHBondContact O-OG 2.92Å; E661-S664 VanDerWaalsContact O-OG 3.12Å; E661-R668 PolarHBondContact N-O 3.31Å; E661-K670 HydrophobicContact CB-CB 4.35Å | ||
| 662 | E | 79.2 | Confident | 82.7 | Confident | 180 Ų | 180 | 67.3 Ų | 67.3 | 84% | 0.841 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 134.2 | 175.9 | -66.7 | 177.4 | -179.7 | 0 | 0 | 110.6 | W660 | W660-E662 PolarHBondContact O-N 2.63Š|
| 663 | N | 68.1 | Low | 83.5 | Confident | 171 Ų | 171 | 65.7 Ų | 65.7 | 91% | 0.914 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 16.7 | 177.7 | -55.2 | -34.2 | 0 | 0 | 0 | 117.5 | ||
| 664 | S | 60.2 | Low | 84.2 | Confident | 37 Ų | 37 | 64 Ų | 64 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | trans | -88.8 | 134.5 | 168.7 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | E661 N666 | E661-S664 PolarHBondContact O-OG 2.92Å; E661-S664 VanDerWaalsContact O-OG 3.12Å; S664-N666 WeakPolarHBondContact CB-O 3.18Å; S664-N666 PolarHBondContact O-N 2.91Å; S664-N666 PolarHBondContact OG-O 2.95Å | ||
| 665 | S | 63.9 | Low | 84.4 | Confident | 123 Ų | 123 | 63.3 Ų | 63.3 | 86% | 0.86 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -70.1 | -13 | 172.3 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 666 | N | 65.3 | Low | 84.8 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -112.1 | 119.1 | 174.6 | -62.8 | -34.2 | 0 | 0 | 0 | 107 | S664 R668 | S664-N666 WeakPolarHBondContact CB-O 3.18Å; S664-N666 PolarHBondContact O-N 2.91Å; S664-N666 PolarHBondContact OG-O 2.95Å; N666-R668 VanDerWaalsContact C-N 3.31Å; N666-R668 HydrophobicContact CB-CG 4.29Å; N666-R668 PolarHBondContact O-N 3.46Å |
| 667 | D | 72.2 | Confident | 85.2 | Confident | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | trans | -57.5 | 90.7 | 176.5 | -70.3 | -45.5 | 0 | 0 | 0 | 110.7 | Y639 W660 | Y639-D667 WeakPolarHBondContact CB-O 3.15Å; Y639-D667 WeakPolarHBondContact CD1-O 3.48Å; Y639-D667 VanDerWaalsContact CD2-O 3.25Å; Y639-D667 WeakPolarHBondContact CD2-O 3.35Å; W660-D667 HydrophobicContact CE3-CB 4.27Å; W660-D667 HydrophobicContact CZ3-CB 4.06Å | ||
| 668 | R | 83.9 | Confident | 85.4 | Confident | 103 Ų | 103 | 53 Ų | 53 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | trans | -109 | 146.1 | -179 | -75.5 | -176.2 | 179.9 | -173.6 | 1.8 | 111 | E661 N666 K670 | E661-R668 PolarHBondContact N-O 3.31Å; N666-R668 VanDerWaalsContact C-N 3.31Å; N666-R668 HydrophobicContact CB-CG 4.29Å; N666-R668 PolarHBondContact O-N 3.46Å; R668-K670 PolarHBondContact O-N 2.88Å | ||
| 669 | I | 90.7 | Very high | 85.3 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.6 | 177.4 | -62.2 | 176.6 | 0 | 0 | 0 | 108.5 | P580 L583 W614 Y639 I658 W660 A671 F672 | P580-I669 HydrophobicContact CG-CG2 4.1Å; P580-I669 VanDerWaalsContact CG-O 3.29Å; P580-I669 WeakPolarHBondContact CG-O 3.26Å; L583-I669 HydrophobicContact CD1-CD1 3.9Å; W614-I669 HydrophobicContact CH2-CD1 3.42Å; W614-I669 VanDerWaalsContact CH2-CD1 3.42Å; W614-I669 HydrophobicContact CZ2-CD1 3.37Å; W614-I669 HydrophobicContact CZ3-CD1 4.49Å; Y639-I669 HydrophobicContact CE1-CD1 4.35Å; Y639-I669 HydrophobicContact CE1-CG1 4.23Å; I658-I669 HydrophobicContact CD1-CD1 4.48Å; I658-I669 HydrophobicContact CG2-CB 4.36Å; I658-I669 HydrophobicContact CG2-CD1 3.81Å; I658-I669 HydrophobicContact CG2-CG1 3.74Å; I658-I669 HydrophobicContact CG2-CG2 3.8Å; W660-I669 HydrophobicContact CD2-CG1 4.48Å; W660-I669 HydrophobicContact CE3-CG1 3.93Å; W660-I669 HydrophobicContact CH2-CD1 4.28Å; W660-I669 HydrophobicContact CH2-CG1 4.01Å; W660-I669 HydrophobicContact CZ3-CD1 4.4Å; W660-I669 HydrophobicContact CZ3-CG1 3.68Å; I669-A671 WeakPolarHBondContact CG2-O 3.49Å; I669-F672 HydrophobicContact CG2-CB 4.22Å; I669-F672 HydrophobicContact CG2-CD1 4.19Å |
| 670 | K | 91.3 | Very high | 85.2 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 52% | 0.522 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -48.9 | 174.2 | 178.1 | -178.9 | 179.2 | -179.3 | 0 | 110.8 | S578 P580 I659 E661 R668 | S578-K670 VanDerWaalsContact O-O 3.06Å; P580-K670 WeakPolarHBondContact CD-O 3.29Å; I659-K670 HydrophobicContact CG2-CB 4.3Å; I659-K670 HydrophobicContact CG2-CD 4.14Å; I659-K670 WeakPolarHBondContact O-CB 3.39Å; I659-K670 PolarHBondContact O-N 3.2Å; E661-K670 HydrophobicContact CB-CB 4.35Å; R668-K670 PolarHBondContact O-N 2.88Å |
| 671 | A | 94.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L71 V577 I659 I669 | L71-A671 HydrophobicContact CD1-CB 4.36Å; L71-A671 HydrophobicContact CD2-CB 4.12Å; V577-A671 VanDerWaalsContact O-CA 3.29Å; V577-A671 WeakPolarHBondContact O-CA 3.24Å; I659-A671 HydrophobicContact CD1-CB 4.4Å; I659-A671 PolarHBondContact N-O 3.12Å; I659-A671 PolarHBondContact O-N 2.92Å; I669-A671 WeakPolarHBondContact CG2-O 3.49Å |
| 672 | F | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 164.7 | 169.2 | 70.8 | -94 | 0 | 0 | 0 | 110.9 | V577 P580 L583 I592 W614 D657 I658 I669 F674 | V577-F672 HydrophobicContact CB-CD1 4.29Å; V577-F672 HydrophobicContact CB-CE1 3.93Å; V577-F672 HydrophobicContact CB-CE2 4.2Å; V577-F672 HydrophobicContact CB-CZ 3.85Å; V577-F672 HydrophobicContact CG1-CE1 3.99Å; V577-F672 HydrophobicContact CG1-CZ 4.14Å; V577-F672 HydrophobicContact CG2-CE1 4.38Å; V577-F672 HydrophobicContact CG2-CE2 3.94Å; V577-F672 HydrophobicContact CG2-CZ 3.79Å; V577-F672 PolarHBondContact N-O 3.3Å; V577-F672 PolarHBondContact O-N 3.46Å; V577-F672 VanDerWaalsContact O-N 3.12Å; P580-F672 HydrophobicContact CB-CD1 3.73Å; P580-F672 HydrophobicContact CB-CE1 3.47Å; P580-F672 VanDerWaalsContact CB-CE1 3.47Å; P580-F672 HydrophobicContact CG-CD1 4.22Å; P580-F672 HydrophobicContact CG-CE1 4.44Å; L583-F672 HydrophobicContact CD1-CE1 4.28Å; I592-F672 HydrophobicContact CD1-CE1 4.04Å; I592-F672 HydrophobicContact CD1-CZ 4.09Å; I592-F672 HydrophobicContact CG2-CZ 3.77Å; W614-F672 AromaticContact CD1-CD2 3.86Å; W614-F672 AromaticContact NE1-CD2 3.27Å; W614-F672 VanDerWaalsContact NE1-CD2 3.27Å; W614-F672 AromaticContact NE1-CE2 3.92Å; W614-F672 AromaticContact NE1-CG 3.35Å; D657-F672 CarbonylContact O-C 3.6Å; D657-F672 WeakPolarHBondContact O-CA 3.14Å; D657-F672 WeakPolarHBondContact O-CB 3.23Å; I658-F672 HydrophobicContact CG1-CB 4.1Å; I669-F672 HydrophobicContact CG2-CB 4.22Å; I669-F672 HydrophobicContact CG2-CD1 4.19Å; F672-F674 HydrophobicContact CD2-CD1 4.45Å; F672-F674 AromaticContact CE2-CD1 3.85Å; F672-F674 HydrophobicContact CE2-CD1 3.85Å; F672-F674 HydrophobicContact CE2-CE1 4.46Å |
| 673 | R | 95.2 | Very high | 85.4 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 6% | 0.057 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159.7 | 170.5 | 64.1 | 177.5 | -177.8 | -169.4 | -14.6 | 112.7 | W72 R83 V575 D657 | W72-R673 HydrophobicContact CH2-CB 3.59Å; W72-R673 HydrophobicContact CH2-CG 4.06Å; W72-R673 HydrophobicContact CZ2-CB 3.68Å; W72-R673 HydrophobicContact CZ2-CG 3.66Å; W72-R673 HydrophobicContact CZ3-CB 4.19Å; R83-R673 PolarHBondContact O-NH1 3.37Å; V575-R673 CarbonylContact O-C 3.58Å; V575-R673 WeakPolarHBondContact O-CA 3.35Å; V575-R673 VanDerWaalsContact O-CB 3.31Å; V575-R673 WeakPolarHBondContact O-CB 3.26Å; D657-R673 HydrophobicContact CB-CG 3.8Å; D657-R673 PolarHBondContact O-N 3.07Å; D657-R673 IonicContact OD1-CZ 2.78Å; D657-R673 IonicContact OD1-NE 2.98Å; D657-R673 PolarHBondContact OD1-NE 3.46Å; D657-R673 IonicContact OD1-NH2 3.5Å; D657-R673 PolarHBondContact OD1-NH2 2.85Å |
| 674 | F | 94.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 166.3 | 170 | 64.9 | -87.3 | 0 | 0 | 0 | 109.4 | V575 V577 L595 V596 L599 V611 E612 C613 F672 V676 | V575-F674 HydrophobicContact CB-CD1 4.06Å; V575-F674 HydrophobicContact CB-CD2 4.12Å; V575-F674 HydrophobicContact CB-CE1 3.7Å; V575-F674 HydrophobicContact CB-CE2 3.75Å; V575-F674 HydrophobicContact CB-CG 4.28Å; V575-F674 HydrophobicContact CB-CZ 3.55Å; V575-F674 HydrophobicContact CG1-CD1 4.34Å; V575-F674 HydrophobicContact CG1-CE1 3.54Å; V575-F674 HydrophobicContact CG1-CE2 4.11Å; V575-F674 HydrophobicContact CG1-CZ 3.41Å; V575-F674 VanDerWaalsContact CG1-CZ 3.41Å; V575-F674 HydrophobicContact CG2-CD2 4.31Å; V575-F674 HydrophobicContact CG2-CE2 3.81Å; V575-F674 HydrophobicContact CG2-CZ 4.01Å; V575-F674 PolarHBondContact N-O 3.31Å; V575-F674 PolarHBondContact O-N 2.72Å; V577-F674 HydrophobicContact CG2-CD1 4.25Å; V577-F674 HydrophobicContact CG2-CE1 3.74Å; L595-F674 HydrophobicContact CD2-CZ 4.49Å; V596-F674 HydrophobicContact CB-CE2 4.37Å; V596-F674 HydrophobicContact CG1-CE2 4.43Å; V596-F674 HydrophobicContact CG2-CD1 4.46Å; V596-F674 HydrophobicContact CG2-CD2 4.11Å; V596-F674 HydrophobicContact CG2-CE1 4.06Å; V596-F674 HydrophobicContact CG2-CE2 3.69Å; V596-F674 HydrophobicContact CG2-CG 4.47Å; V596-F674 HydrophobicContact CG2-CZ 3.64Å; L599-F674 HydrophobicContact CD1-CE2 4.06Å; L599-F674 HydrophobicContact CD1-CZ 3.78Å; V611-F674 HydrophobicContact CG1-CD2 4.34Å; E612-F674 WeakPolarHBondContact O-CA 3.32Å; E612-F674 WeakPolarHBondContact O-CB 3.27Å; C613-F674 HydrophobicContact CB-CB 3.82Å; C613-F674 HydrophobicContact CB-CG 4.43Å; F672-F674 HydrophobicContact CD2-CD1 4.45Å; F672-F674 AromaticContact CE2-CD1 3.85Å; F672-F674 HydrophobicContact CE2-CD1 3.85Å; F672-F674 HydrophobicContact CE2-CE1 4.46Å; F674-V676 HydrophobicContact CD2-CG2 3.84Å; F674-V676 HydrophobicContact CE2-CG2 3.55Å |
| 675 | L | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 142.9 | -175.3 | -65.9 | 79.4 | 0 | 0 | 0 | 110.7 | S82 R83 Q572 M573 Q574 V611 E612 | S82-L675 WeakPolarHBondContact O-CD2 3.24Å; R83-L675 VanDerWaalsContact CD-CD1 3.41Å; R83-L675 VanDerWaalsContact NH1-CD1 3.32Å; R83-L675 VanDerWaalsContact NH1-CD2 3.31Å; Q572-L675 HydrophobicContact CB-CD2 4.27Å; M573-L675 CarbonylContact O-C 3.58Å; M573-L675 VanDerWaalsContact O-CA 3.3Å; M573-L675 WeakPolarHBondContact O-CA 3.42Å; Q574-L675 HydrophobicContact CG-CD2 4.15Å; Q574-L675 HydrophobicContact CG-CG 4.16Å; V611-L675 CarbonylContact C-O 3.25Å; V611-L675 WeakPolarHBondContact CA-O 3.17Å; E612-L675 HydrophobicContact CB-CB 4.29Å; E612-L675 PolarHBondContact N-O 3.09Å; E612-L675 PolarHBondContact O-N 2.86Å |
| 676 | V | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | M573 V575 L599 A600 V611 F674 | M573-V676 HydrophobicContact CE-CB 3.99Å; M573-V676 HydrophobicContact CE-CG1 4.46Å; M573-V676 HydrophobicContact CE-CG2 4.36Å; M573-V676 PolarHBondContact N-O 2.91Å; M573-V676 PolarHBondContact O-N 3.02Å; V575-V676 HydrophobicContact CG2-CG2 3.98Å; L599-V676 HydrophobicContact CB-CG2 4.22Å; A600-V676 HydrophobicContact CB-CG1 4.46Å; V611-V676 HydrophobicContact CG2-CG1 4.45Å; V611-V676 HydrophobicContact CG2-CG2 4.41Å; F674-V676 HydrophobicContact CD2-CG2 3.84Å; F674-V676 HydrophobicContact CE2-CG2 3.55Å |
| 677 | G | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y181 I606 G610 | Y181-G677 VanDerWaalsContact OH-CA 3.31Å; Y181-G677 WeakPolarHBondContact OH-CA 3.35Å; I606-G677 WeakPolarHBondContact CB-O 3.29Å; I606-G677 VanDerWaalsContact CD1-C 3.49Å; I606-G677 WeakPolarHBondContact CG1-O 3.45Å; I606-G677 PolarHBondContact N-O 2.92Å; G610-G677 PolarHBondContact O-N 3.01Å |
| 678 | L | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 154.5 | 178.9 | -55.8 | 174.8 | 0 | 0 | 0 | 111.6 | G570 I571 M573 H604 T690 M694 W713 | G570-L678 PolarHBondContact N-O 3.3Å; I571-L678 HydrophobicContact CG2-CB 3.65Å; I571-L678 HydrophobicContact CG2-CD1 4.27Å; I571-L678 HydrophobicContact CG2-CG 4.45Å; I571-L678 PolarHBondContact O-N 2.84Å; M573-L678 HydrophobicContact CB-CD1 3.8Å; M573-L678 HydrophobicContact CB-CG 4.14Å; M573-L678 HydrophobicContact CE-CD2 4.48Å; H604-L678 CarbonylContact O-C 3.45Å; H604-L678 VanDerWaalsContact O-CA 3.25Å; H604-L678 WeakPolarHBondContact O-CA 3.33Å; L678-T690 HydrophobicContact CD1-CG2 3.93Å; L678-T690 HydrophobicContact CD2-CG2 4.29Å; L678-M694 HydrophobicContact CD2-CE 3.43Å; L678-M694 VanDerWaalsContact CD2-CE 3.43Å; L678-M694 HydrophobicContact CD2-SD 4.27Å; L678-W713 HydrophobicContact CD1-CH2 4.26Å |
| 679 | K | 92.2 | Very high | 91.1 | Very high | 75 Ų | 75 | 32.2 Ų | 32.2 | 33% | 0.326 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.6 | 177.9 | 68.4 | -172.9 | -177.3 | -145.3 | 0 | 111.4 | Y569 R603 H604 G605 I606 F681 | Y569-K679 HydrophobicContact CD2-CB 3.77Å; Y569-K679 HydrophobicContact CE2-CB 4.31Å; R603-K679 WeakPolarHBondContact O-CE 3.28Å; H604-K679 PolarHBondContact O-N 3.39Å; G605-K679 WeakPolarHBondContact O-CD 3.18Å; G605-K679 WeakPolarHBondContact O-CE 3.48Å; G605-K679 PolarHBondContact O-NZ 3.13Å; I606-K679 HydrophobicContact CG1-CB 4.15Å; K679-F681 PolarHBondContact O-N 3.4Å |
| 680 | A | 89.4 | Confident | 91.2 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 34% | 0.339 | 17% | 0.166 | S | C | . | . | trans | 56.8 | 43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T568 S686 | T568-A680 PolarHBondContact O-N 3.33Å; A680-S686 WeakPolarHBondContact O-CB 3.36Å; A680-S686 PolarHBondContact O-OG 3.45Å | ||
| 681 | F | 89 | Confident | 91.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -96.2 | 20.6 | 179.4 | -160.2 | -99 | 0 | 0 | 0 | 113.1 | W567 I571 K679 Q687 T690 L712 W713 V716 | W567-F681 CarbonylContact O-C 3.59Å; W567-F681 VanDerWaalsContact O-CA 3.31Å; W567-F681 WeakPolarHBondContact O-CA 3.44Å; W567-F681 WeakPolarHBondContact O-CB 3.35Å; W567-F681 PolarHBondContact O-N 3.01Å; I571-F681 HydrophobicContact CD1-CD1 3.97Å; I571-F681 HydrophobicContact CD1-CE1 4.28Å; I571-F681 HydrophobicContact CG2-CB 4Å; I571-F681 HydrophobicContact CG2-CG 4.26Å; K679-F681 PolarHBondContact O-N 3.4Å; F681-Q687 HydrophobicContact CD1-CG 3.67Å; F681-Q687 HydrophobicContact CD2-CB 4.28Å; F681-Q687 HydrophobicContact CD2-CG 3.89Å; F681-Q687 HydrophobicContact CE1-CB 4.18Å; F681-Q687 HydrophobicContact CE1-CG 3.45Å; F681-Q687 VanDerWaalsContact CE1-CG 3.45Å; F681-Q687 HydrophobicContact CE2-CB 3.74Å; F681-Q687 HydrophobicContact CE2-CG 3.7Å; F681-Q687 HydrophobicContact CG-CG 3.87Å; F681-Q687 HydrophobicContact CZ-CB 3.68Å; F681-Q687 HydrophobicContact CZ-CG 3.47Å; F681-Q687 VanDerWaalsContact CZ-CG 3.47Å; F681-Q687 WeakPolarHBondContact O-CG 3.44Å; F681-Q687 PolarHBondContact O-NE2 2.99Å; F681-T690 HydrophobicContact CD2-CG2 4.08Å; F681-T690 HydrophobicContact CE2-CG2 4.24Å; F681-L712 HydrophobicContact CD1-CD1 4.09Å; F681-L712 HydrophobicContact CE1-CB 4.05Å; F681-L712 HydrophobicContact CE1-CD1 3.55Å; F681-L712 HydrophobicContact CE1-CG 4.43Å; F681-L712 HydrophobicContact CZ-CB 4.39Å; F681-W713 HydrophobicContact CE2-CE3 4.48Å; F681-W713 HydrophobicContact CE2-CH2 4.02Å; F681-W713 AromaticContact CE2-CZ3 3.45Å; F681-W713 HydrophobicContact CE2-CZ3 3.45Å; F681-W713 VanDerWaalsContact CE2-CZ3 3.45Å; F681-W713 HydrophobicContact CZ-CE3 4.18Å; F681-W713 AromaticContact CZ-CZ3 3.51Å; F681-W713 HydrophobicContact CZ-CZ3 3.51Å; F681-V716 HydrophobicContact CZ-CG2 3.94Å | ||
| 682 | N | 85.4 | Confident | 91.4 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 35% | 0.348 | 16% | 0.162 | S | C | . | . | trans | -86 | -25.2 | -171.6 | 60.2 | -28.1 | 0 | 0 | 0 | 114.7 | W567 | W567-N682 HydrophobicContact CB-CB 4.28Š| ||
| 683 | S | 85.4 | Confident | 91.4 | Very high | 51 Ų | 51 | 31 Ų | 31 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -105.8 | 148.6 | -178.7 | 74.7 | 0 | 0 | 0 | 0 | 111.8 | V685 S686 Q687 | S683-V685 PolarHBondContact O-N 2.8Å; S683-S686 PolarHBondContact N-OG 3.49Å; S683-S686 PolarHBondContact O-N 3.48Å; S683-S686 VanDerWaalsContact O-N 3.12Å; S683-S686 PolarHBondContact O-OG 2.94Å; S683-S686 VanDerWaalsContact O-OG 3.04Å; S683-S686 VanDerWaalsContact OG-CB 3.23Å; S683-S686 WeakPolarHBondContact OG-CB 3.49Å; S683-S686 PolarHBondContact OG-N 2.96Å; S683-S686 PolarHBondContact OG-OG 3.34Å; S683-Q687 WeakPolarHBondContact O-CG 3.22Å; S683-Q687 PolarHBondContact O-N 3.06Å |
| 684 | T | 84.1 | Confident | 91.4 | Very high | 34 Ų | 34 | 30.2 Ų | 30.2 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.9 | -37.6 | 177.9 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | E544 Q687 R688 Y719 | E544-T684 HydrophobicContact CG-CG2 4.48Å; T684-Q687 PolarHBondContact O-N 3.18Å; T684-R688 PolarHBondContact O-N 3.32Å; T684-R688 VanDerWaalsContact O-N 3.09Å; T684-Y719 HydrophobicContact CG2-CE2 3.94Å |
| 685 | V | 86.1 | Confident | 91.5 | Very high | 88 Ų | 88 | 32.6 Ų | 32.6 | 53% | 0.533 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.6 | -50.6 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | S683 Q687 R688 E689 | S683-V685 PolarHBondContact O-N 2.8Å; V685-Q687 VanDerWaalsContact C-N 3.27Å; V685-Q687 PolarHBondContact O-N 3.2Å; V685-R688 PolarHBondContact O-N 2.93Å; V685-E689 HydrophobicContact CG1-CG 4.49Å; V685-E689 WeakPolarHBondContact O-CG 3.03Å; V685-E689 PolarHBondContact O-N 2.87Å |
| 686 | S | 89.3 | Confident | 91.6 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -30 | -179.4 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | A680 S683 T690 | A680-S686 WeakPolarHBondContact O-CB 3.36Å; A680-S686 PolarHBondContact O-OG 3.45Å; S683-S686 PolarHBondContact N-OG 3.49Å; S683-S686 PolarHBondContact O-N 3.48Å; S683-S686 VanDerWaalsContact O-N 3.12Å; S683-S686 PolarHBondContact O-OG 2.94Å; S683-S686 VanDerWaalsContact O-OG 3.04Å; S683-S686 VanDerWaalsContact OG-CB 3.23Å; S683-S686 WeakPolarHBondContact OG-CB 3.49Å; S683-S686 PolarHBondContact OG-N 2.96Å; S683-S686 PolarHBondContact OG-OG 3.34Å; S686-T690 VanDerWaalsContact O-CB 3.32Å; S686-T690 WeakPolarHBondContact O-CB 3.49Å; S686-T690 PolarHBondContact O-N 3.36Å; S686-T690 PolarHBondContact O-OG1 3.15Å |
| 687 | Q | 90.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 172 | -68.3 | 179.4 | 1.5 | 0 | 0 | 111.3 | F681 S683 T684 V685 T690 V691 V716 | F681-Q687 HydrophobicContact CD1-CG 3.67Å; F681-Q687 HydrophobicContact CD2-CB 4.28Å; F681-Q687 HydrophobicContact CD2-CG 3.89Å; F681-Q687 HydrophobicContact CE1-CB 4.18Å; F681-Q687 HydrophobicContact CE1-CG 3.45Å; F681-Q687 VanDerWaalsContact CE1-CG 3.45Å; F681-Q687 HydrophobicContact CE2-CB 3.74Å; F681-Q687 HydrophobicContact CE2-CG 3.7Å; F681-Q687 HydrophobicContact CG-CG 3.87Å; F681-Q687 HydrophobicContact CZ-CB 3.68Å; F681-Q687 HydrophobicContact CZ-CG 3.47Å; F681-Q687 VanDerWaalsContact CZ-CG 3.47Å; F681-Q687 WeakPolarHBondContact O-CG 3.44Å; F681-Q687 PolarHBondContact O-NE2 2.99Å; S683-Q687 WeakPolarHBondContact O-CG 3.22Å; S683-Q687 PolarHBondContact O-N 3.06Å; T684-Q687 PolarHBondContact O-N 3.18Å; V685-Q687 VanDerWaalsContact C-N 3.27Å; V685-Q687 PolarHBondContact O-N 3.2Å; Q687-T690 PolarHBondContact O-N 3.18Å; Q687-V691 VanDerWaalsContact O-CG2 3.28Å; Q687-V691 WeakPolarHBondContact O-CG2 3.43Å; Q687-V691 PolarHBondContact O-N 3.31Å; Q687-V716 HydrophobicContact CB-CG1 4.25Å; Q687-V716 HydrophobicContact CB-CG2 3.91Å |
| 688 | R | 90.4 | Very high | 91.7 | Very high | 88 Ų | 88 | 42 Ų | 42 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 177 | -172.7 | -176.5 | -177.1 | 159.5 | 5.3 | 111.9 | E541 T684 V685 T690 V691 A692 V716 D720 | E541-R688 IonicContact OE2-CZ 2.86Å; E541-R688 IonicContact OE2-NH1 2.71Å; E541-R688 PolarHBondContact OE2-NH1 2.91Å; T684-R688 PolarHBondContact O-N 3.32Å; T684-R688 VanDerWaalsContact O-N 3.09Å; V685-R688 PolarHBondContact O-N 2.93Å; R688-T690 PolarHBondContact O-N 2.91Å; R688-V691 PolarHBondContact O-N 3.03Å; R688-A692 WeakPolarHBondContact O-CB 3.24Å; R688-A692 PolarHBondContact O-N 3.43Å; R688-V716 HydrophobicContact CB-CG1 4.35Å; R688-D720 IonicContact CZ-OD1 3.47Å; R688-D720 IonicContact NE-OD1 2.85Å; R688-D720 PolarHBondContact NE-OD1 3.27Å; R688-D720 IonicContact NH2-OD1 3.04Å; R688-D720 PolarHBondContact NH2-OD1 2.94Å |
| 689 | E | 92.5 | Very high | 91.7 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -45 | 176.7 | -70.8 | -177.3 | 172.2 | 0 | 0 | 111.4 | R603 H604 V685 V691 A692 D693 | R603-E689 IonicContact CZ-OE2 3.2Å; R603-E689 IonicContact NH1-OE1 3.98Å; R603-E689 IonicContact NH1-OE2 3.77Å; R603-E689 PolarHBondContact NH1-OE2 3.2Å; R603-E689 IonicContact NH2-OE2 2.68Å; R603-E689 PolarHBondContact NH2-OE2 2.99Å; H604-E689 IonicContact NE2-OE2 2.69Å; V685-E689 HydrophobicContact CG1-CG 4.49Å; V685-E689 WeakPolarHBondContact O-CG 3.03Å; V685-E689 PolarHBondContact O-N 2.87Å; E689-V691 PolarHBondContact O-N 3.15Å; E689-A692 PolarHBondContact O-N 3.45Å; E689-D693 WeakPolarHBondContact O-CB 3.34Å; E689-D693 VanDerWaalsContact O-CG 3.31Å; E689-D693 PolarHBondContact O-N 3.42Å |
| 690 | T | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | H604 L678 F681 S686 Q687 R688 A692 D693 M694 W713 | H604-T690 HydrophobicContact CB-CG2 3.7Å; H604-T690 WeakPolarHBondContact CB-OG1 3.25Å; H604-T690 PolarHBondContact CD2-OG1 2.93Å; H604-T690 PolarHBondContact ND1-OG1 3.32Å; L678-T690 HydrophobicContact CD1-CG2 3.93Å; L678-T690 HydrophobicContact CD2-CG2 4.29Å; F681-T690 HydrophobicContact CD2-CG2 4.08Å; F681-T690 HydrophobicContact CE2-CG2 4.24Å; S686-T690 VanDerWaalsContact O-CB 3.32Å; S686-T690 WeakPolarHBondContact O-CB 3.49Å; S686-T690 PolarHBondContact O-N 3.36Å; S686-T690 PolarHBondContact O-OG1 3.15Å; Q687-T690 PolarHBondContact O-N 3.18Å; R688-T690 PolarHBondContact O-N 2.91Å; T690-A692 PolarHBondContact O-N 3.35Å; T690-D693 PolarHBondContact O-N 3.4Å; T690-M694 HydrophobicContact CG2-CE 4.2Å; T690-M694 HydrophobicContact CG2-CG 4.28Å; T690-M694 WeakPolarHBondContact O-CB 3.4Å; T690-M694 WeakPolarHBondContact O-CG 3.43Å; T690-M694 PolarHBondContact O-N 3.29Å; T690-W713 HydrophobicContact CG2-CH2 4.01Å |
| 691 | V | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 179.5 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | Q687 R688 E689 M694 R695 W713 V716 | Q687-V691 VanDerWaalsContact O-CG2 3.28Å; Q687-V691 WeakPolarHBondContact O-CG2 3.43Å; Q687-V691 PolarHBondContact O-N 3.31Å; R688-V691 PolarHBondContact O-N 3.03Å; E689-V691 PolarHBondContact O-N 3.15Å; V691-M694 PolarHBondContact O-N 3.29Å; V691-R695 HydrophobicContact CG1-CG 4.42Å; V691-R695 WeakPolarHBondContact O-CB 3.3Å; V691-R695 WeakPolarHBondContact O-CG 3.45Å; V691-R695 PolarHBondContact O-N 3.42Å; V691-W713 HydrophobicContact CB-CD2 4.49Å; V691-W713 HydrophobicContact CB-CH2 4.22Å; V691-W713 HydrophobicContact CB-CZ2 4.03Å; V691-W713 HydrophobicContact CG1-CD2 4.32Å; V691-W713 HydrophobicContact CG1-CZ2 4.31Å; V691-W713 HydrophobicContact CG2-CD2 3.56Å; V691-W713 HydrophobicContact CG2-CE3 3.38Å; V691-W713 HydrophobicContact CG2-CG 4.42Å; V691-W713 HydrophobicContact CG2-CH2 3.42Å; V691-W713 VanDerWaalsContact CG2-CH2 3.42Å; V691-W713 HydrophobicContact CG2-CZ2 3.58Å; V691-W713 HydrophobicContact CG2-CZ3 3.34Å; V691-V716 HydrophobicContact CB-CG1 4.22Å; V691-V716 HydrophobicContact CG2-CB 3.84Å; V691-V716 HydrophobicContact CG2-CG1 3.6Å; V691-V716 HydrophobicContact CG2-CG2 4.07Å |
| 692 | A | 94.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R688 E689 T690 R696 | R688-A692 WeakPolarHBondContact O-CB 3.24Å; R688-A692 PolarHBondContact O-N 3.43Å; E689-A692 PolarHBondContact O-N 3.45Å; T690-A692 PolarHBondContact O-N 3.35Å; A692-R696 VanDerWaalsContact O-CB 3.25Å; A692-R696 WeakPolarHBondContact O-CB 3.44Å; A692-R696 PolarHBondContact O-N 2.94Å |
| 693 | D | 95.1 | Very high | 92.4 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 178.2 | -77.2 | -11.1 | 0 | 0 | 0 | 111.6 | H604 E689 T690 R696 I697 | H604-D693 IonicContact CD2-OD2 3.71Å; E689-D693 WeakPolarHBondContact O-CB 3.34Å; E689-D693 VanDerWaalsContact O-CG 3.31Å; E689-D693 PolarHBondContact O-N 3.42Å; T690-D693 PolarHBondContact O-N 3.4Å; D693-R696 PolarHBondContact O-N 3.41Å; D693-I697 WeakPolarHBondContact O-CG1 3.39Å; D693-I697 PolarHBondContact O-N 2.95Å |
| 694 | M | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | -179.8 | -63.8 | -62 | 157 | 0 | 0 | 112.1 | M573 L599 S602 H604 L678 T690 V691 R696 I697 A698 T708 W713 | M573-M694 HydrophobicContact CE-CB 4.43Å; M573-M694 HydrophobicContact CE-CG 3.99Å; M573-M694 HydrophobicContact CE-SD 3.47Å; M573-M694 WeakPolarHBondContact CE-SD 3.46Å; M573-M694 HydrophobicContact SD-CB 3.82Å; M573-M694 HydrophobicContact SD-CG 3.6Å; M573-M694 HydrophobicContact SD-SD 3.95Å; L599-M694 HydrophobicContact CD2-SD 3.75Å; S602-M694 WeakPolarHBondContact OG-CE 3.24Å; H604-M694 HydrophobicContact CB-CE 4.36Å; L678-M694 HydrophobicContact CD2-CE 3.43Å; L678-M694 VanDerWaalsContact CD2-CE 3.43Å; L678-M694 HydrophobicContact CD2-SD 4.27Å; T690-M694 HydrophobicContact CG2-CE 4.2Å; T690-M694 HydrophobicContact CG2-CG 4.28Å; T690-M694 WeakPolarHBondContact O-CB 3.4Å; T690-M694 WeakPolarHBondContact O-CG 3.43Å; T690-M694 PolarHBondContact O-N 3.29Å; V691-M694 PolarHBondContact O-N 3.29Å; M694-R696 VanDerWaalsContact C-N 3.35Å; M694-I697 PolarHBondContact O-N 3.12Å; M694-A698 WeakPolarHBondContact O-CB 3.37Å; M694-A698 PolarHBondContact O-N 2.91Å; M694-T708 HydrophobicContact CB-CG2 4.31Å; M694-W713 HydrophobicContact CB-CZ2 4.27Å; M694-W713 HydrophobicContact CG-CZ2 4.37Å |
| 695 | R | 95.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 51.3 Ų | 51.3 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 175.2 | -74.9 | 178.5 | 175.8 | 153.5 | 3 | 112.1 | G61 E64 V691 A698 S699 D717 | G61-R695 VanDerWaalsContact N-NH2 3.2Å; E64-R695 IonicContact OE1-CZ 2.86Å; E64-R695 IonicContact OE1-NE 3.37Å; E64-R695 PolarHBondContact OE1-NE 3.37Å; E64-R695 IonicContact OE1-NH2 3.16Å; E64-R695 IonicContact OE2-CZ 3.52Å; E64-R695 IonicContact OE2-NE 3.85Å; E64-R695 PolarHBondContact OE2-NE 3.21Å; E64-R695 IonicContact OE2-NH2 2.89Å; E64-R695 PolarHBondContact OE2-NH2 3.38Å; V691-R695 HydrophobicContact CG1-CG 4.42Å; V691-R695 WeakPolarHBondContact O-CB 3.3Å; V691-R695 WeakPolarHBondContact O-CG 3.45Å; V691-R695 PolarHBondContact O-N 3.42Å; R695-A698 WeakPolarHBondContact O-CB 3.4Å; R695-A698 PolarHBondContact O-N 3.16Å; R695-S699 WeakPolarHBondContact O-CB 3.4Å; R695-S699 PolarHBondContact O-N 3.48Å; R695-S699 PolarHBondContact O-OG 3.36Å; R695-D717 IonicContact CZ-OD1 3.31Å; R695-D717 IonicContact NH1-OD1 2.91Å; R695-D717 PolarHBondContact NH1-OD1 3.3Å; R695-D717 IonicContact NH2-OD1 2.8Å; R695-D717 PolarHBondContact NH2-OD1 2.91Å; R695-D717 IonicContact NH2-OD2 3.66Å; R695-D717 PolarHBondContact NH2-OD2 3.37Å |
| 696 | R | 96.1 | Very high | 93.8 | Very high | 163 Ų | 163 | 47.8 Ų | 47.8 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61 | -49.6 | 174.7 | -179.2 | -179 | 177.1 | 175.1 | 1.5 | 111.2 | A692 D693 M694 A698 S699 D700 | A692-R696 VanDerWaalsContact O-CB 3.25Å; A692-R696 WeakPolarHBondContact O-CB 3.44Å; A692-R696 PolarHBondContact O-N 2.94Å; D693-R696 PolarHBondContact O-N 3.41Å; M694-R696 VanDerWaalsContact C-N 3.35Å; R696-A698 VanDerWaalsContact C-N 3.27Å; R696-A698 PolarHBondContact O-N 2.95Å; R696-S699 WeakPolarHBondContact CA-OG 3.47Å; R696-S699 PolarHBondContact O-N 2.91Å; R696-S699 VanDerWaalsContact O-N 3.12Å; R696-S699 PolarHBondContact O-OG 2.83Å; R696-D700 VanDerWaalsContact O-CG 3.31Å; R696-D700 PolarHBondContact O-N 2.87Å |
| 697 | I | 95.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 177 | -64.4 | 163.6 | 0 | 0 | 0 | 110.7 | L595 M598 L599 D693 M694 N701 | L595-I697 HydrophobicContact CD1-CG2 4.08Å; M598-I697 HydrophobicContact CB-CG2 3.96Å; L599-I697 HydrophobicContact CD2-CB 3.86Å; L599-I697 HydrophobicContact CD2-CD1 4.14Å; L599-I697 HydrophobicContact CD2-CG2 3.57Å; L599-I697 HydrophobicContact CG-CG2 3.82Å; D693-I697 WeakPolarHBondContact O-CG1 3.39Å; D693-I697 PolarHBondContact O-N 2.95Å; M694-I697 PolarHBondContact O-N 3.12Å; I697-N701 PolarHBondContact O-N 3.16Å; I697-N701 PolarHBondContact O-ND2 2.95Å |
| 698 | A | 95.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M694 R695 R696 N701 V706 T708 | M694-A698 WeakPolarHBondContact O-CB 3.37Å; M694-A698 PolarHBondContact O-N 2.91Å; R695-A698 WeakPolarHBondContact O-CB 3.4Å; R695-A698 PolarHBondContact O-N 3.16Å; R696-A698 VanDerWaalsContact C-N 3.27Å; R696-A698 PolarHBondContact O-N 2.95Å; A698-N701 CarbonylContact O-C 3.58Å; A698-N701 PolarHBondContact O-N 2.96Å; A698-V706 HydrophobicContact CB-CB 4.02Å; A698-V706 HydrophobicContact CB-CG1 3.99Å; A698-T708 HydrophobicContact CB-CG2 4.2Å |
| 699 | S | 94.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 52% | 0.517 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.6 | -36.6 | 178.4 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | R695 R696 N701 A702 | R695-S699 WeakPolarHBondContact O-CB 3.4Å; R695-S699 PolarHBondContact O-N 3.48Å; R695-S699 PolarHBondContact O-OG 3.36Å; R696-S699 WeakPolarHBondContact CA-OG 3.47Å; R696-S699 PolarHBondContact O-N 2.91Å; R696-S699 VanDerWaalsContact O-N 3.12Å; R696-S699 PolarHBondContact O-OG 2.83Å; S699-N701 PolarHBondContact O-N 3.05Å; S699-A702 WeakPolarHBondContact O-CB 3.33Å; S699-A702 PolarHBondContact O-N 3.43Å; S699-A702 VanDerWaalsContact O-N 3.15Å |
| 700 | D | 94.5 | Very high | 94.6 | Very high | 114 Ų | 114 | 40.4 Ų | 40.4 | 61% | 0.61 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.3 | -23.3 | 175.5 | -68.9 | -17.7 | 0 | 0 | 0 | 111.2 | R696 | R696-D700 VanDerWaalsContact O-CG 3.31Å; R696-D700 PolarHBondContact O-N 2.87Å |
| 701 | N | 93.5 | Very high | 94.3 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 34.5 | 177.8 | -66.6 | -85.1 | 0 | 0 | 0 | 112.8 | L595 M598 I697 A698 S699 A703 L704 V706 | L595-N701 HydrophobicContact CD1-CB 4.03Å; M598-N701 VanDerWaalsContact CE-ND2 3.33Å; M598-N701 WeakPolarHBondContact CE-ND2 3.42Å; I697-N701 PolarHBondContact O-N 3.16Å; I697-N701 PolarHBondContact O-ND2 2.95Å; A698-N701 CarbonylContact O-C 3.58Å; A698-N701 PolarHBondContact O-N 2.96Å; S699-N701 PolarHBondContact O-N 3.05Å; N701-A703 PolarHBondContact O-N 2.87Å; N701-L704 PolarHBondContact O-N 2.76Å; N701-V706 HydrophobicContact CB-CG2 4.11Å |
| 702 | A | 90.4 | Very high | 94 | Very high | 73 Ų | 73 | 44 Ų | 44 | 60% | 0.603 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -53.2 | -27.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S699 L704 N705 | S699-A702 WeakPolarHBondContact O-CB 3.33Å; S699-A702 PolarHBondContact O-N 3.43Å; S699-A702 VanDerWaalsContact O-N 3.15Å; A702-L704 PolarHBondContact O-N 3.29Å; A702-N705 PolarHBondContact O-N 3.44Å |
| 703 | A | 91.5 | Very high | 94 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 70% | 0.702 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -58.9 | -28.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N701 | N701-A703 PolarHBondContact O-N 2.87Š|
| 704 | L | 93.3 | Very high | 93.8 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -91.9 | -6.3 | 179.2 | -65.6 | 176 | 0 | 0 | 0 | 113.1 | V577 S578 K579 Q588 I592 L595 N701 A702 V706 | V577-L704 HydrophobicContact CG1-CB 4.25Å; S578-L704 PolarHBondContact N-O 3.47Å; K579-L704 PolarHBondContact N-O 2.86Å; Q588-L704 VanDerWaalsContact NE2-CD2 3.33Å; I592-L704 HydrophobicContact CG1-CD1 4.14Å; I592-L704 HydrophobicContact CG1-CD2 4.32Å; L595-L704 HydrophobicContact CD2-CD1 3.91Å; N701-L704 PolarHBondContact O-N 2.76Å; A702-L704 PolarHBondContact O-N 3.29Å; L704-V706 HydrophobicContact CB-CG2 3.69Å |
| 705 | N | 94.4 | Very high | 93.4 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | trans | 46.2 | 65 | -171.9 | -169.4 | 17.9 | 0 | 0 | 0 | 111.7 | S578 K579 A702 | S578-N705 WeakPolarHBondContact CB-O 3.35Å; S578-N705 PolarHBondContact N-O 3.09Å; S578-N705 PolarHBondContact OG-O 3.43Å; K579-N705 HydrophobicContact CB-CB 4.35Å; A702-N705 PolarHBondContact O-N 3.44Å | ||
| 706 | V | 96.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.5 | -175.2 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | V575 A576 L595 A698 N701 L704 | V575-V706 HydrophobicContact CG1-CG1 3.54Å; A576-V706 CarbonylContact O-C 3.44Å; A576-V706 WeakPolarHBondContact O-CA 3.45Å; L595-V706 HydrophobicContact CD1-CG1 4.46Å; L595-V706 HydrophobicContact CD1-CG2 4.3Å; L595-V706 HydrophobicContact CD2-CG1 4.12Å; L595-V706 HydrophobicContact CD2-CG2 3.52Å; A698-V706 HydrophobicContact CB-CB 4.02Å; A698-V706 HydrophobicContact CB-CG1 3.99Å; N701-V706 HydrophobicContact CB-CG2 4.11Å; L704-V706 HydrophobicContact CB-CG2 3.69Å |
| 707 | T | 96.3 | Very high | 93 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.8 | 174.5 | -54 | 0 | 0 | 0 | 0 | 109.3 | E64 V67 F68 V575 A576 | E64-T707 HydrophobicContact CB-CG2 3.79Å; E64-T707 HydrophobicContact CG-CG2 3.67Å; V67-T707 HydrophobicContact CB-CG2 4.22Å; V67-T707 HydrophobicContact CG1-CG2 4.26Å; F68-T707 HydrophobicContact CE2-CG2 4.22Å; V575-T707 CarbonylContact C-O 3.43Å; V575-T707 WeakPolarHBondContact CA-O 3.32Å; A576-T707 PolarHBondContact N-O 3.1Å; A576-T707 PolarHBondContact O-N 2.99Å |
| 708 | T | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 134.5 | 176.4 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | M573 Q574 V575 L599 M694 A698 W713 | M573-T708 HydrophobicContact CE-CG2 4.21Å; M573-T708 HydrophobicContact SD-CG2 3.95Å; Q574-T708 CarbonylContact O-C 3.46Å; Q574-T708 WeakPolarHBondContact O-CA 3.21Å; V575-T708 HydrophobicContact CG1-CG2 4.32Å; V575-T708 HydrophobicContact CG2-CG2 4.29Å; L599-T708 HydrophobicContact CD2-CG2 4.38Å; M694-T708 HydrophobicContact CB-CG2 4.31Å; A698-T708 HydrophobicContact CB-CG2 4.2Å; T708-W713 PolarHBondContact O-NE1 3.21Å |
| 709 | F | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 140.4 | -179.5 | -173.9 | -107.3 | 0 | 0 | 0 | 113 | G61 E64 L65 F68 Y85 Q574 W713 P714 | G61-F709 WeakPolarHBondContact O-CE2 3.41Å; E64-F709 HydrophobicContact CB-CB 4.43Å; E64-F709 HydrophobicContact CB-CD2 3.81Å; L65-F709 HydrophobicContact CB-CD2 4.38Å; L65-F709 HydrophobicContact CB-CE1 4.49Å; L65-F709 HydrophobicContact CB-CE2 3.65Å; L65-F709 HydrophobicContact CB-CZ 3.72Å; L65-F709 HydrophobicContact CD1-CE1 3.81Å; L65-F709 HydrophobicContact CD1-CE2 4.44Å; L65-F709 HydrophobicContact CD1-CZ 3.64Å; L65-F709 HydrophobicContact CG-CZ 4.14Å; F68-F709 HydrophobicContact CD2-CB 3.55Å; F68-F709 HydrophobicContact CD2-CD1 4.36Å; F68-F709 HydrophobicContact CD2-CG 4.09Å; F68-F709 HydrophobicContact CE2-CB 3.29Å; F68-F709 HydrophobicContact CE2-CG 4.3Å; F68-F709 HydrophobicContact CG-CB 4.46Å; F68-F709 HydrophobicContact CZ-CB 4.03Å; Y85-F709 HydrophobicContact CD2-CE1 4.25Å; Y85-F709 WeakPolarHBondContact O-CE1 3.34Å; Q574-F709 PolarHBondContact N-O 3.47Å; Q574-F709 PolarHBondContact O-N 3.19Å; F709-W713 HydrophobicContact CD2-CB 4.31Å; F709-W713 HydrophobicContact CE2-CB 4.31Å; F709-P714 HydrophobicContact CE2-CG 4.28Å |
| 710 | N | 93.2 | Very high | 91.9 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.064 | 17% | 0.171 | C | C | . | . | trans | -136.2 | 151.6 | 164 | 178 | -85.3 | 0 | 0 | 0 | 108.3 | I571 Q572 L712 W713 | I571-N710 WeakPolarHBondContact CG1-ND2 3.18Å; Q572-N710 PolarHBondContact O-ND2 3.17Å; N710-L712 PolarHBondContact O-N 2.97Å; N710-L712 WeakPolarHBondContact OD1-CB 3.26Å; N710-L712 PolarHBondContact OD1-N 3.12Å; N710-W713 HydrophobicContact CB-CD2 4.11Å; N710-W713 HydrophobicContact CB-CE3 3.74Å; N710-W713 HydrophobicContact CB-CZ3 4.04Å; N710-W713 WeakPolarHBondContact O-CB 3.32Å; N710-W713 PolarHBondContact O-N 3.09Å | ||
| 711 | K | 87.9 | Confident | 91.6 | Very high | 64 Ų | 64 | 24.1 Ų | 24.1 | 28% | 0.278 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -21.5 | 178 | 68.2 | -176.2 | -178.4 | -178.2 | 0 | 114.8 | ||
| 712 | L | 89.1 | Confident | 91.4 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -13.4 | 178.1 | -61 | 175.3 | 0 | 0 | 0 | 113.9 | W567 I571 F681 N710 Y715 V716 | W567-L712 HydrophobicContact CZ2-CD1 3.87Å; W567-L712 HydrophobicContact CZ2-CD2 4.34Å; I571-L712 HydrophobicContact CD1-CD1 3.75Å; F681-L712 HydrophobicContact CD1-CD1 4.09Å; F681-L712 HydrophobicContact CE1-CB 4.05Å; F681-L712 HydrophobicContact CE1-CD1 3.55Å; F681-L712 HydrophobicContact CE1-CG 4.43Å; F681-L712 HydrophobicContact CZ-CB 4.39Å; N710-L712 PolarHBondContact O-N 2.97Å; N710-L712 WeakPolarHBondContact OD1-CB 3.26Å; N710-L712 PolarHBondContact OD1-N 3.12Å; L712-Y715 HydrophobicContact CD2-CD2 4.49Å; L712-Y715 WeakPolarHBondContact O-CB 3.42Å; L712-Y715 PolarHBondContact O-N 3.35Å; L712-V716 PolarHBondContact O-N 3.12Å |
| 713 | W | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -52.2 | -48.9 | -177.3 | -95.9 | -155.5 | 0 | 0 | 0 | 113.7 | M573 L678 F681 T690 V691 M694 T708 F709 N710 Y715 V716 D717 | M573-W713 HydrophobicContact SD-CZ2 4.18Å; L678-W713 HydrophobicContact CD1-CH2 4.26Å; F681-W713 HydrophobicContact CE2-CE3 4.48Å; F681-W713 HydrophobicContact CE2-CH2 4.02Å; F681-W713 AromaticContact CE2-CZ3 3.45Å; F681-W713 HydrophobicContact CE2-CZ3 3.45Å; F681-W713 VanDerWaalsContact CE2-CZ3 3.45Å; F681-W713 HydrophobicContact CZ-CE3 4.18Å; F681-W713 AromaticContact CZ-CZ3 3.51Å; F681-W713 HydrophobicContact CZ-CZ3 3.51Å; T690-W713 HydrophobicContact CG2-CH2 4.01Å; V691-W713 HydrophobicContact CB-CD2 4.49Å; V691-W713 HydrophobicContact CB-CH2 4.22Å; V691-W713 HydrophobicContact CB-CZ2 4.03Å; V691-W713 HydrophobicContact CG1-CD2 4.32Å; V691-W713 HydrophobicContact CG1-CZ2 4.31Å; V691-W713 HydrophobicContact CG2-CD2 3.56Å; V691-W713 HydrophobicContact CG2-CE3 3.38Å; V691-W713 HydrophobicContact CG2-CG 4.42Å; V691-W713 HydrophobicContact CG2-CH2 3.42Å; V691-W713 VanDerWaalsContact CG2-CH2 3.42Å; V691-W713 HydrophobicContact CG2-CZ2 3.58Å; V691-W713 HydrophobicContact CG2-CZ3 3.34Å; M694-W713 HydrophobicContact CB-CZ2 4.27Å; M694-W713 HydrophobicContact CG-CZ2 4.37Å; T708-W713 PolarHBondContact O-NE1 3.21Å; F709-W713 HydrophobicContact CD2-CB 4.31Å; F709-W713 HydrophobicContact CE2-CB 4.31Å; N710-W713 HydrophobicContact CB-CD2 4.11Å; N710-W713 HydrophobicContact CB-CE3 3.74Å; N710-W713 HydrophobicContact CB-CZ3 4.04Å; N710-W713 WeakPolarHBondContact O-CB 3.32Å; N710-W713 PolarHBondContact O-N 3.09Å; W713-Y715 PolarHBondContact O-N 2.84Å; W713-V716 PolarHBondContact O-N 3.44Å; W713-D717 PolarHBondContact O-N 2.93Å |
| 714 | P | 91.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.8 | -31.3 | 177.9 | -25.4 | 34.8 | 0 | 0 | 0 | 113.9 | M51 T55 F709 | M51-P714 HydrophobicContact CE-CG 4.48Å; M51-P714 HydrophobicContact CG-CB 4.29Å; M51-P714 HydrophobicContact SD-CG 4.36Å; T55-P714 WeakPolarHBondContact CB-O 3.08Å; T55-P714 HydrophobicContact CG2-CB 4.19Å; T55-P714 WeakPolarHBondContact CG2-O 3.21Å; F709-P714 HydrophobicContact CE2-CG 4.28Å |
| 715 | Y | 89.1 | Confident | 91 | Very high | 25 Ų | 25 | 20.8 Ų | 20.8 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -79.1 | -28.7 | 177.1 | -62.7 | -76.9 | 0 | 0 | 0 | 112.5 | M51 T55 P545 L712 W713 Q718 | M51-Y715 HydrophobicContact CE-CE2 4.31Å; T55-Y715 HydrophobicContact CG2-CD1 3.91Å; T55-Y715 HydrophobicContact CG2-CE1 4.21Å; T55-Y715 HydrophobicContact CG2-CG 4.43Å; P545-Y715 HydrophobicContact CG-CD1 4.4Å; L712-Y715 HydrophobicContact CD2-CD2 4.49Å; L712-Y715 WeakPolarHBondContact O-CB 3.42Å; L712-Y715 PolarHBondContact O-N 3.35Å; W713-Y715 PolarHBondContact O-N 2.84Å; Y715-Q718 VanDerWaalsContact O-CB 3.27Å; Y715-Q718 WeakPolarHBondContact O-CB 3.36Å |
| 716 | V | 91 | Very high | 90.8 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -72.9 | -37.3 | 174 | -176.9 | 0 | 0 | 0 | 0 | 111 | F681 Q687 R688 V691 L712 W713 Q718 Y719 | F681-V716 HydrophobicContact CZ-CG2 3.94Å; Q687-V716 HydrophobicContact CB-CG1 4.25Å; Q687-V716 HydrophobicContact CB-CG2 3.91Å; R688-V716 HydrophobicContact CB-CG1 4.35Å; V691-V716 HydrophobicContact CB-CG1 4.22Å; V691-V716 HydrophobicContact CG2-CB 3.84Å; V691-V716 HydrophobicContact CG2-CG1 3.6Å; V691-V716 HydrophobicContact CG2-CG2 4.07Å; L712-V716 PolarHBondContact O-N 3.12Å; W713-V716 PolarHBondContact O-N 3.44Å; V716-Q718 PolarHBondContact O-N 3.39Å; V716-Q718 VanDerWaalsContact O-N 3.12Å; V716-Y719 HydrophobicContact CB-CD2 4.49Å; V716-Y719 HydrophobicContact CG1-CD2 4.06Å; V716-Y719 HydrophobicContact CG1-CE2 4.47Å; V716-Y719 HydrophobicContact CG2-CE2 4.49Å; V716-Y719 VanDerWaalsContact O-CB 3.3Å; V716-Y719 WeakPolarHBondContact O-CB 3.28Å; V716-Y719 PolarHBondContact O-N 2.83Å |
| 717 | D | 91.2 | Very high | 90.4 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.053 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -27.8 | 175.7 | -71.4 | -7.5 | 0 | 0 | 0 | 113.2 | P56 A60 G61 R695 W713 Y719 D720 A721 | P56-D717 HydrophobicContact CG-CB 4.09Å; A60-D717 PolarHBondContact N-OD2 3.4Å; A60-D717 VanDerWaalsContact N-OD2 3.14Å; G61-D717 WeakPolarHBondContact CA-OD2 3.49Å; G61-D717 PolarHBondContact N-OD2 2.82Å; R695-D717 IonicContact CZ-OD1 3.31Å; R695-D717 IonicContact NH1-OD1 2.91Å; R695-D717 PolarHBondContact NH1-OD1 3.3Å; R695-D717 IonicContact NH2-OD1 2.8Å; R695-D717 PolarHBondContact NH2-OD1 2.91Å; R695-D717 IonicContact NH2-OD2 3.66Å; R695-D717 PolarHBondContact NH2-OD2 3.37Å; W713-D717 PolarHBondContact O-N 2.93Å; D717-Y719 PolarHBondContact O-N 3.49Å; D717-D720 PolarHBondContact O-N 3.42Å; D717-A721 WeakPolarHBondContact O-CB 3.39Å; D717-A721 PolarHBondContact O-N 3.43Å; D717-A721 VanDerWaalsContact O-N 3.15Å |
| 718 | Q | 90.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.1 | -38.4 | 173.1 | 176.6 | -177.7 | 16.5 | 0 | 0 | 111.3 | Y54 F396 Y715 V716 D720 A721 I722 T778 | Y54-Q718 VanDerWaalsContact O-CD 3.26Å; Y54-Q718 PolarHBondContact O-NE2 2.65Å; F396-Q718 HydrophobicContact CE1-CB 4.37Å; F396-Q718 HydrophobicContact CE1-CG 3.85Å; F396-Q718 HydrophobicContact CZ-CG 4.22Å; Y715-Q718 VanDerWaalsContact O-CB 3.27Å; Y715-Q718 WeakPolarHBondContact O-CB 3.36Å; V716-Q718 PolarHBondContact O-N 3.39Å; V716-Q718 VanDerWaalsContact O-N 3.12Å; Q718-D720 VanDerWaalsContact C-N 3.33Å; Q718-D720 PolarHBondContact O-N 2.91Å; Q718-A721 PolarHBondContact O-N 3.38Å; Q718-I722 HydrophobicContact CG-CD1 3.51Å; Q718-I722 HydrophobicContact CG-CG1 3.99Å; Q718-I722 WeakPolarHBondContact O-CD1 3.15Å; Q718-I722 WeakPolarHBondContact O-CG1 3.32Å; Q718-I722 PolarHBondContact O-N 3.05Å; Q718-I722 VanDerWaalsContact O-N 3.07Å; Q718-T778 PolarHBondContact NE2-OG1 3.4Å |
| 719 | Y | 87 | Confident | 89.8 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | -176.8 | -52.7 | -21.8 | 0 | 0 | 0 | 111.4 | L543 T684 V716 D717 | L543-Y719 PolarHBondContact O-OH 3.29Å; T684-Y719 HydrophobicContact CG2-CE2 3.94Å; V716-Y719 HydrophobicContact CB-CD2 4.49Å; V716-Y719 HydrophobicContact CG1-CD2 4.06Å; V716-Y719 HydrophobicContact CG1-CE2 4.47Å; V716-Y719 HydrophobicContact CG2-CE2 4.49Å; V716-Y719 VanDerWaalsContact O-CB 3.3Å; V716-Y719 WeakPolarHBondContact O-CB 3.28Å; V716-Y719 PolarHBondContact O-N 2.83Å; D717-Y719 PolarHBondContact O-N 3.49Å |
| 720 | D | 85.2 | Confident | 89.4 | Confident | 58 Ų | 58 | 24.7 Ų | 24.7 | 31% | 0.31 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -70.4 | -35.1 | 174.9 | -75.1 | -59.1 | 0 | 0 | 0 | 112.9 | R688 D717 Q718 P724 | R688-D720 IonicContact CZ-OD1 3.47Å; R688-D720 IonicContact NE-OD1 2.85Å; R688-D720 PolarHBondContact NE-OD1 3.27Å; R688-D720 IonicContact NH2-OD1 3.04Å; R688-D720 PolarHBondContact NH2-OD1 2.94Å; D717-D720 PolarHBondContact O-N 3.42Å; Q718-D720 VanDerWaalsContact C-N 3.33Å; Q718-D720 PolarHBondContact O-N 2.91Å; D720-P724 WeakPolarHBondContact O-CD 3.48Å; D720-P724 WeakPolarHBondContact O-CG 3.33Å |
| 721 | A | 88.9 | Confident | 89.2 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 13% | 0.132 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -85.6 | -27.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | P56 F396 D717 Q718 N725 | P56-A721 HydrophobicContact CB-CB 4.19Å; P56-A721 HydrophobicContact CG-CB 4.13Å; F396-A721 HydrophobicContact CE2-CB 4.08Å; F396-A721 HydrophobicContact CZ-CB 3.78Å; D717-A721 WeakPolarHBondContact O-CB 3.39Å; D717-A721 PolarHBondContact O-N 3.43Å; D717-A721 VanDerWaalsContact O-N 3.15Å; Q718-A721 PolarHBondContact O-N 3.38Å; A721-N725 WeakPolarHBondContact O-CB 3.21Å; A721-N725 PolarHBondContact O-N 3Å; A721-N725 PolarHBondContact O-ND2 3.44Å |
| 722 | I | 89.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -54.1 | -174 | -74.3 | 159.9 | 0 | 0 | 0 | 112.5 | F396 Q718 N725 I726 M776 | F396-I722 HydrophobicContact CE1-CG1 4.48Å; F396-I722 HydrophobicContact CE2-CG1 4.21Å; F396-I722 HydrophobicContact CZ-CG1 3.74Å; Q718-I722 HydrophobicContact CG-CD1 3.51Å; Q718-I722 HydrophobicContact CG-CG1 3.99Å; Q718-I722 WeakPolarHBondContact O-CD1 3.15Å; Q718-I722 WeakPolarHBondContact O-CG1 3.32Å; Q718-I722 PolarHBondContact O-N 3.05Å; Q718-I722 VanDerWaalsContact O-N 3.07Å; I722-N725 PolarHBondContact O-N 2.94Å; I722-I726 HydrophobicContact CG2-CD1 3.67Å; I722-I726 PolarHBondContact O-N 3.31Å; I722-M776 HydrophobicContact CG2-CG 3.89Å |
| 723 | L | 86.9 | Confident | 89.3 | Confident | 43 Ų | 43 | 26.7 Ų | 26.7 | 23% | 0.225 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.7 | -47.7 | -171.9 | 176.3 | 66.6 | 0 | 0 | 0 | 112.6 | E541 N725 I726 I727 M776 | E541-L723 WeakPolarHBondContact OE1-CD2 3.46Å; L723-N725 VanDerWaalsContact C-N 3.32Å; L723-N725 PolarHBondContact O-N 2.7Å; L723-I726 PolarHBondContact O-N 3.31Å; L723-I727 HydrophobicContact CD1-CD1 3.94Å; L723-I727 HydrophobicContact CD1-CG1 4.24Å; L723-I727 HydrophobicContact CG-CD1 4.02Å; L723-I727 WeakPolarHBondContact O-CG1 3.36Å; L723-I727 PolarHBondContact O-N 2.92Å; L723-M776 HydrophobicContact CD1-CE 3.55Å; L723-M776 HydrophobicContact CD1-SD 3.85Å |
| 724 | P | 89.5 | Confident | 88.9 | Confident | 74 Ų | 74 | 28 Ų | 28 | 48% | 0.481 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.7 | -42 | 175.7 | -25 | 35.1 | 0 | 0 | 0 | 113 | D720 I727 Q728 | D720-P724 WeakPolarHBondContact O-CD 3.48Å; D720-P724 WeakPolarHBondContact O-CG 3.33Å; P724-I727 PolarHBondContact O-N 2.84Å; P724-Q728 WeakPolarHBondContact O-CB 3.46Å; P724-Q728 PolarHBondContact O-N 3.48Å |
| 725 | N | 90.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 177 | -87.7 | -96.9 | 0 | 0 | 0 | 110.7 | T394 D395 F396 A721 I722 L723 I727 Q728 E729 M781 | T394-N725 WeakPolarHBondContact CA-OD1 3.24Å; D395-N725 PolarHBondContact N-OD1 2.96Å; D395-N725 PolarHBondContact OD2-ND2 2.89Å; D395-N725 PolarHBondContact OD2-OD1 3.34Å; F396-N725 HydrophobicContact CE2-CB 4.49Å; A721-N725 WeakPolarHBondContact O-CB 3.21Å; A721-N725 PolarHBondContact O-N 3Å; A721-N725 PolarHBondContact O-ND2 3.44Å; I722-N725 PolarHBondContact O-N 2.94Å; L723-N725 VanDerWaalsContact C-N 3.32Å; L723-N725 PolarHBondContact O-N 2.7Å; N725-I727 VanDerWaalsContact C-N 3.32Å; N725-I727 PolarHBondContact O-N 3.29Å; N725-Q728 WeakPolarHBondContact O-CB 3.39Å; N725-Q728 PolarHBondContact O-N 3.01Å; N725-E729 WeakPolarHBondContact O-CB 3.24Å; N725-E729 VanDerWaalsContact O-CG 3.23Å; N725-E729 WeakPolarHBondContact O-CG 3.31Å; N725-E729 PolarHBondContact O-N 3.12Å; N725-M781 HydrophobicContact CB-SD 4.11Å |
| 726 | I | 88.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 178.5 | -73 | 170.4 | 0 | 0 | 0 | 111.8 | I722 L723 E729 C730 M776 M781 I784 | I722-I726 HydrophobicContact CG2-CD1 3.67Å; I722-I726 PolarHBondContact O-N 3.31Å; L723-I726 PolarHBondContact O-N 3.31Å; I726-E729 PolarHBondContact O-N 3.11Å; I726-C730 WeakPolarHBondContact O-CB 3.16Å; I726-C730 PolarHBondContact O-N 3.41Å; I726-C730 PolarHBondContact O-SG 2.86Å; I726-M776 HydrophobicContact CB-CE 3.59Å; I726-M776 HydrophobicContact CD1-CE 3.19Å; I726-M776 HydrophobicContact CD1-CG 3.71Å; I726-M776 HydrophobicContact CD1-SD 4.21Å; I726-M776 HydrophobicContact CG1-CE 3.92Å; I726-M776 HydrophobicContact CG2-CE 3.48Å; I726-M776 VanDerWaalsContact CG2-CE 3.48Å; I726-M781 HydrophobicContact CD1-CB 3.95Å; I726-M781 HydrophobicContact CD1-CG 4.07Å; I726-M781 HydrophobicContact CD1-SD 4.49Å; I726-M781 HydrophobicContact CG1-CB 4.08Å; I726-M781 HydrophobicContact CG1-CG 3.62Å; I726-M781 HydrophobicContact CG1-SD 3.86Å; I726-I784 HydrophobicContact CD1-CD1 4.16Å; I726-I784 HydrophobicContact CG2-CG2 4.29Å |
| 727 | I | 88.9 | Confident | 88.4 | Confident | 80 Ų | 80 | 32.8 Ų | 32.8 | 41% | 0.41 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.2 | -67.3 | 172.7 | 0 | 0 | 0 | 111.1 | L723 P724 N725 G731 | L723-I727 HydrophobicContact CD1-CD1 3.94Å; L723-I727 HydrophobicContact CD1-CG1 4.24Å; L723-I727 HydrophobicContact CG-CD1 4.02Å; L723-I727 WeakPolarHBondContact O-CG1 3.36Å; L723-I727 PolarHBondContact O-N 2.92Å; P724-I727 PolarHBondContact O-N 2.84Å; N725-I727 VanDerWaalsContact C-N 3.32Å; N725-I727 PolarHBondContact O-N 3.29Å; I727-G731 PolarHBondContact O-N 2.94Å |
| 728 | Q | 90.9 | Very high | 88.1 | Confident | 81 Ų | 81 | 34.9 Ų | 34.9 | 38% | 0.379 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -47.8 | 176.3 | 175.7 | 177.9 | -40.4 | 0 | 0 | 111.3 | P724 N725 G731 F732 | P724-Q728 WeakPolarHBondContact O-CB 3.46Å; P724-Q728 PolarHBondContact O-N 3.48Å; N725-Q728 WeakPolarHBondContact O-CB 3.39Å; N725-Q728 PolarHBondContact O-N 3.01Å; Q728-G731 PolarHBondContact O-N 3.04Å; Q728-F732 HydrophobicContact CG-CD2 3.52Å; Q728-F732 HydrophobicContact CG-CE2 3.37Å; Q728-F732 WeakPolarHBondContact O-CD2 3.4Å; Q728-F732 PolarHBondContact O-N 3.3Å |
| 729 | E | 87.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 179 | -69.1 | -55.4 | 138.4 | 0 | 0 | 112.1 | V390 G391 T394 N725 I726 G731 F732 G733 V785 | V390-E729 WeakPolarHBondContact CG1-OE2 3.2Å; G391-E729 WeakPolarHBondContact CA-OE2 3.4Å; G391-E729 PolarHBondContact N-OE2 3.37Å; G391-E729 VanDerWaalsContact N-OE2 3.17Å; T394-E729 VanDerWaalsContact CG2-CD 3.42Å; T394-E729 HydrophobicContact CG2-CG 3.44Å; T394-E729 VanDerWaalsContact CG2-CG 3.44Å; T394-E729 VanDerWaalsContact CG2-OE1 3.31Å; T394-E729 WeakPolarHBondContact CG2-OE1 3.13Å; N725-E729 WeakPolarHBondContact O-CB 3.24Å; N725-E729 VanDerWaalsContact O-CG 3.23Å; N725-E729 WeakPolarHBondContact O-CG 3.31Å; N725-E729 PolarHBondContact O-N 3.12Å; I726-E729 PolarHBondContact O-N 3.11Å; E729-G731 VanDerWaalsContact C-N 3.29Å; E729-G731 PolarHBondContact O-N 2.92Å; E729-F732 PolarHBondContact O-N 3.31Å; E729-G733 WeakPolarHBondContact O-CA 3.4Å; E729-G733 PolarHBondContact O-N 3.08Å; E729-V785 HydrophobicContact CB-CG2 4.36Å |
| 730 | C | 87.9 | Confident | 87.7 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 173 | -72.1 | 0 | 0 | 0 | 0 | 111.2 | I726 I734 | I726-C730 WeakPolarHBondContact O-CB 3.16Å; I726-C730 PolarHBondContact O-N 3.41Å; I726-C730 PolarHBondContact O-SG 2.86Å; C730-I734 VanDerWaalsContact O-CB 3.3Å; C730-I734 WeakPolarHBondContact O-CB 3.15Å; C730-I734 WeakPolarHBondContact O-CD1 3.29Å; C730-I734 WeakPolarHBondContact O-CG1 3.26Å; C730-I734 PolarHBondContact O-N 2.95Å |
| 731 | G | 89.1 | Confident | 87.5 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 43% | 0.433 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62 | -52.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I727 Q728 E729 M735 | I727-G731 PolarHBondContact O-N 2.94Å; Q728-G731 PolarHBondContact O-N 3.04Å; E729-G731 VanDerWaalsContact C-N 3.29Å; E729-G731 PolarHBondContact O-N 2.92Å; G731-M735 WeakPolarHBondContact O-CB 3.41Å; G731-M735 PolarHBondContact O-N 3.32Å |
| 732 | F | 90.6 | Very high | 87.2 | Confident | 86 Ų | 86 | 38.8 Ų | 38.8 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.7 | -74.2 | -52.9 | 0 | 0 | 0 | 112.1 | V390 Q728 E729 M735 C736 | V390-F732 HydrophobicContact CG1-CB 3.53Å; V390-F732 HydrophobicContact CG2-CB 4.48Å; Q728-F732 HydrophobicContact CG-CD2 3.52Å; Q728-F732 HydrophobicContact CG-CE2 3.37Å; Q728-F732 WeakPolarHBondContact O-CD2 3.4Å; Q728-F732 PolarHBondContact O-N 3.3Å; E729-F732 PolarHBondContact O-N 3.31Å; F732-M735 HydrophobicContact CD1-CE 3.8Å; F732-M735 HydrophobicContact CE1-CE 4.44Å; F732-M735 WeakPolarHBondContact O-CB 3.4Å; F732-M735 PolarHBondContact O-N 3.27Å; F732-C736 PolarHBondContact O-N 3.08Å; F732-C736 PolarHBondContact O-SG 3.26Å; F732-C736 VanDerWaalsContact O-SG 3.37Å |
| 733 | G | 87.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -55.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E729 M735 C736 M737 | E729-G733 WeakPolarHBondContact O-CA 3.4Å; E729-G733 PolarHBondContact O-N 3.08Å; G733-M735 VanDerWaalsContact C-N 3.28Å; G733-M735 PolarHBondContact O-N 3.42Å; G733-C736 PolarHBondContact O-N 3.29Å; G733-M737 WeakPolarHBondContact O-CB 3.48Å; G733-M737 VanDerWaalsContact O-CG 3.22Å; G733-M737 WeakPolarHBondContact O-CG 3.14Å; G733-M737 PolarHBondContact O-N 3.08Å |
| 734 | I | 85.9 | Confident | 86.4 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 177.8 | -68.1 | 167.3 | 0 | 0 | 0 | 111.4 | C730 M737 I738 T755 L759 | C730-I734 VanDerWaalsContact O-CB 3.3Å; C730-I734 WeakPolarHBondContact O-CB 3.15Å; C730-I734 WeakPolarHBondContact O-CD1 3.29Å; C730-I734 WeakPolarHBondContact O-CG1 3.26Å; C730-I734 PolarHBondContact O-N 2.95Å; I734-M737 WeakPolarHBondContact O-CB 3.4Å; I734-M737 PolarHBondContact O-N 3.4Å; I734-I738 HydrophobicContact CG2-CD1 3.9Å; I734-I738 HydrophobicContact CG2-CG1 4.4Å; I734-I738 VanDerWaalsContact O-CG1 3.3Å; I734-I738 WeakPolarHBondContact O-CG1 3.47Å; I734-I738 PolarHBondContact O-N 3.47Å; I734-T755 HydrophobicContact CG2-CG2 4.15Å; I734-L759 HydrophobicContact CD1-CD1 3.88Å |
| 735 | M | 87.8 | Confident | 85.9 | Confident | 93 Ų | 93 | 39.9 Ų | 39.9 | 46% | 0.458 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.8 | -49 | 176.2 | -178 | -172.7 | 71.2 | 0 | 0 | 111.9 | G731 F732 G733 M737 I738 L739 | G731-M735 WeakPolarHBondContact O-CB 3.41Å; G731-M735 PolarHBondContact O-N 3.32Å; F732-M735 HydrophobicContact CD1-CE 3.8Å; F732-M735 HydrophobicContact CE1-CE 4.44Å; F732-M735 WeakPolarHBondContact O-CB 3.4Å; F732-M735 PolarHBondContact O-N 3.27Å; G733-M735 VanDerWaalsContact C-N 3.28Å; G733-M735 PolarHBondContact O-N 3.42Å; M735-M737 PolarHBondContact O-N 3.49Å; M735-I738 PolarHBondContact O-N 2.68Å; M735-L739 WeakPolarHBondContact O-CG 3.22Å; M735-L739 PolarHBondContact O-N 2.89Å; M735-L739 VanDerWaalsContact O-N 3.1Å |
| 736 | C | 87.2 | Confident | 85.2 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -40.3 | 174.8 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | F732 G733 L739 L740 | F732-C736 PolarHBondContact O-N 3.08Å; F732-C736 PolarHBondContact O-SG 3.26Å; F732-C736 VanDerWaalsContact O-SG 3.37Å; G733-C736 PolarHBondContact O-N 3.29Å; C736-L739 PolarHBondContact O-N 3.2Å; C736-L740 PolarHBondContact O-N 2.93Å |
| 737 | M | 85.4 | Confident | 84.9 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.9 | -70.1 | -42.5 | -54.5 | 0 | 0 | 113.2 | T383 G733 I734 M735 L739 L740 A741 I758 I788 V792 | T383-M737 VanDerWaalsContact CB-CE 3.45Å; T383-M737 HydrophobicContact CG2-CE 3.08Å; T383-M737 HydrophobicContact CG2-SD 3.77Å; G733-M737 WeakPolarHBondContact O-CB 3.48Å; G733-M737 VanDerWaalsContact O-CG 3.22Å; G733-M737 WeakPolarHBondContact O-CG 3.14Å; G733-M737 PolarHBondContact O-N 3.08Å; I734-M737 WeakPolarHBondContact O-CB 3.4Å; I734-M737 PolarHBondContact O-N 3.4Å; M735-M737 PolarHBondContact O-N 3.49Å; M737-L739 VanDerWaalsContact C-N 3.34Å; M737-L740 PolarHBondContact O-N 3.28Å; M737-A741 WeakPolarHBondContact O-CB 3.42Å; M737-A741 PolarHBondContact O-N 3.05Å; M737-I758 HydrophobicContact CB-CD1 4.48Å; M737-I788 HydrophobicContact CG-CG2 3.95Å; M737-V792 HydrophobicContact CE-CB 3.7Å; M737-V792 HydrophobicContact CE-CG1 3.21Å; M737-V792 HydrophobicContact CE-CG2 3.26Å; M737-V792 HydrophobicContact CG-CG2 4.08Å; M737-V792 HydrophobicContact SD-CG2 3.96Å |
| 738 | I | 85.1 | Confident | 84.6 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 175 | -71.6 | 163.6 | 0 | 0 | 0 | 110.1 | I734 M735 A741 L742 T755 | I734-I738 HydrophobicContact CG2-CD1 3.9Å; I734-I738 HydrophobicContact CG2-CG1 4.4Å; I734-I738 VanDerWaalsContact O-CG1 3.3Å; I734-I738 WeakPolarHBondContact O-CG1 3.47Å; I734-I738 PolarHBondContact O-N 3.47Å; M735-I738 PolarHBondContact O-N 2.68Å; I738-A741 PolarHBondContact O-N 3.09Å; I738-L742 HydrophobicContact CG2-CD1 3.74Å; I738-L742 HydrophobicContact CG2-CG 4.34Å; I738-L742 WeakPolarHBondContact O-CB 3.41Å; I738-L742 VanDerWaalsContact O-CG 3.24Å; I738-L742 WeakPolarHBondContact O-CG 3.2Å; I738-L742 PolarHBondContact O-N 3.49Å; I738-T755 HydrophobicContact CD1-CG2 3.69Å; I738-T755 HydrophobicContact CG1-CG2 3.36Å; I738-T755 WeakPolarHBondContact CG1-OG1 3.33Å |
| 739 | L | 85.7 | Confident | 84.3 | Confident | 86 Ų | 86 | 39.8 Ų | 39.8 | 45% | 0.45 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -53.3 | 179.4 | -66.9 | 173.8 | 0 | 0 | 0 | 110.4 | M735 C736 M737 A741 L742 F743 | M735-L739 WeakPolarHBondContact O-CG 3.22Å; M735-L739 PolarHBondContact O-N 2.89Å; M735-L739 VanDerWaalsContact O-N 3.1Å; C736-L739 PolarHBondContact O-N 3.2Å; M737-L739 VanDerWaalsContact C-N 3.34Å; L739-A741 PolarHBondContact O-N 2.99Å; L739-L742 PolarHBondContact O-N 3.31Å; L739-F743 HydrophobicContact CB-CD2 4.41Å; L739-F743 HydrophobicContact CB-CE2 4.44Å; L739-F743 WeakPolarHBondContact O-CB 3.49Å; L739-F743 WeakPolarHBondContact O-CD2 3.24Å; L739-F743 PolarHBondContact O-N 3.39Å |
| 740 | L | 83.8 | Confident | 84.3 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 178.8 | -77.1 | -174.8 | 0 | 0 | 0 | 112.6 | A382 T383 L386 C736 M737 L742 F743 L744 | A382-L740 HydrophobicContact CB-CD1 4.17Å; T383-L740 HydrophobicContact CG2-CB 4.47Å; T383-L740 HydrophobicContact CG2-CD1 3.61Å; L386-L740 HydrophobicContact CD1-CD1 3.53Å; L386-L740 HydrophobicContact CD1-CD2 4.12Å; L386-L740 HydrophobicContact CD1-CG 3.87Å; L386-L740 HydrophobicContact CG-CD1 4.36Å; C736-L740 PolarHBondContact O-N 2.93Å; M737-L740 PolarHBondContact O-N 3.28Å; L740-L742 VanDerWaalsContact C-N 3.33Å; L740-L742 PolarHBondContact O-N 2.84Å; L740-F743 PolarHBondContact O-N 3.46Å; L740-L744 HydrophobicContact CD2-CD1 4.33Å; L740-L744 WeakPolarHBondContact O-CB 3.39Å; L740-L744 PolarHBondContact O-N 2.92Å |
| 741 | A | 80.1 | Confident | 84.3 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M737 I738 L739 I745 S751 | M737-A741 WeakPolarHBondContact O-CB 3.42Å; M737-A741 PolarHBondContact O-N 3.05Å; I738-A741 PolarHBondContact O-N 3.09Å; L739-A741 PolarHBondContact O-N 2.99Å; A741-I745 HydrophobicContact CB-CD1 4.23Å; A741-I745 WeakPolarHBondContact O-CB 3.41Å; A741-I745 WeakPolarHBondContact O-CG1 3.13Å; A741-I745 PolarHBondContact O-N 3.23Å; A741-S751 VanDerWaalsContact CB-OG 3.22Å; A741-S751 WeakPolarHBondContact CB-OG 3.42Å |
| 742 | L | 83.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.1 | -35.8 | 174.7 | -72.4 | 174.5 | 0 | 0 | 0 | 112.3 | M1 I738 L739 L740 A748 S751 | M1-L742 HydrophobicContact CE-CB 3.83Å; M1-L742 HydrophobicContact CE-CD2 4.16Å; M1-L742 VanDerWaalsContact CE-O 3.3Å; M1-L742 WeakPolarHBondContact CE-O 3.27Å; M1-L742 VanDerWaalsContact CG-O 3.29Å; M1-L742 WeakPolarHBondContact CG-O 3.35Å; I738-L742 HydrophobicContact CG2-CD1 3.74Å; I738-L742 HydrophobicContact CG2-CG 4.34Å; I738-L742 WeakPolarHBondContact O-CB 3.41Å; I738-L742 VanDerWaalsContact O-CG 3.24Å; I738-L742 WeakPolarHBondContact O-CG 3.2Å; I738-L742 PolarHBondContact O-N 3.49Å; L739-L742 PolarHBondContact O-N 3.31Å; L740-L742 VanDerWaalsContact C-N 3.33Å; L740-L742 PolarHBondContact O-N 2.84Å; L742-A748 HydrophobicContact CD2-CB 4.17Å; L742-S751 WeakPolarHBondContact CD2-OG 3.2Å; L742-S751 PolarHBondContact N-OG 2.96Å |
| 743 | F | 81.4 | Confident | 84.3 | Confident | 132 Ų | 132 | 37 Ų | 37 | 58% | 0.579 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -73.3 | -36.4 | 178.7 | -82.2 | -66.8 | 0 | 0 | 0 | 113 | L739 L740 | L739-F743 HydrophobicContact CB-CD2 4.41Å; L739-F743 HydrophobicContact CB-CE2 4.44Å; L739-F743 WeakPolarHBondContact O-CB 3.49Å; L739-F743 WeakPolarHBondContact O-CD2 3.24Å; L739-F743 PolarHBondContact O-N 3.39Å; L740-F743 PolarHBondContact O-N 3.46Å |
| 744 | L | 77.2 | Confident | 84.4 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -100.8 | -33 | -170.4 | -69.2 | 167 | 0 | 0 | 0 | 114.1 | F4 F378 L379 L740 P746 | F4-L744 HydrophobicContact CD1-CD2 3.38Å; F4-L744 HydrophobicContact CE1-CD2 3.28Å; F4-L744 HydrophobicContact CZ-CD2 4.39Å; F378-L744 HydrophobicContact CD1-CD1 4.45Å; F378-L744 HydrophobicContact CD1-CD2 4.27Å; F378-L744 HydrophobicContact CE1-CD1 4.4Å; F378-L744 HydrophobicContact CE1-CD2 4.24Å; L379-L744 HydrophobicContact CB-CD1 4.27Å; L379-L744 HydrophobicContact CD1-CB 4.04Å; L379-L744 HydrophobicContact CD1-CD1 3.33Å; L379-L744 HydrophobicContact CD1-CG 4.29Å; L379-L744 HydrophobicContact CG-CD1 4.36Å; L740-L744 HydrophobicContact CD2-CD1 4.33Å; L740-L744 WeakPolarHBondContact O-CB 3.39Å; L740-L744 PolarHBondContact O-N 2.92Å; L744-P746 WeakPolarHBondContact O-CD 3.4Å |
| 745 | I | 79.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -88.8 | 119.4 | -180 | -55.8 | 177.1 | 0 | 0 | 0 | 109.2 | A741 K747 C750 V754 | A741-I745 HydrophobicContact CB-CD1 4.23Å; A741-I745 WeakPolarHBondContact O-CB 3.41Å; A741-I745 WeakPolarHBondContact O-CG1 3.13Å; A741-I745 PolarHBondContact O-N 3.23Å; I745-K747 VanDerWaalsContact C-N 3.26Å; I745-K747 PolarHBondContact O-N 2.79Å; I745-K747 VanDerWaalsContact O-N 3.13Å; I745-C750 HydrophobicContact CG2-CB 3.89Å; I745-V754 HydrophobicContact CD1-CG2 4.27Å |
| 746 | P | 76 | Confident | 84.7 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -52.8 | -38.8 | -176.8 | -30.9 | 36.5 | 0 | 0 | 0 | 114.8 | D2 L744 | D2-P746 WeakPolarHBondContact OD1-CB 3.35Å; L744-P746 WeakPolarHBondContact O-CD 3.4Å |
| 747 | K | 82.8 | Confident | 85 | Confident | 68 Ų | 68 | 32.1 Ų | 32.1 | 30% | 0.296 | 16% | 0.161 | S | C | . | . | trans | -100.6 | 111.3 | -176.4 | -68.7 | 177 | -178.8 | 149.1 | 0 | 111 | I745 I749 C750 S751 S803 | I745-K747 VanDerWaalsContact C-N 3.26Å; I745-K747 PolarHBondContact O-N 2.79Å; I745-K747 VanDerWaalsContact O-N 3.13Å; K747-I749 VanDerWaalsContact C-N 3.25Å; K747-I749 PolarHBondContact O-N 3.4Å; K747-I749 VanDerWaalsContact O-N 3.15Å; K747-C750 HydrophobicContact CB-CB 4.32Å; K747-C750 WeakPolarHBondContact O-CB 3.26Å; K747-C750 PolarHBondContact O-N 3.46Å; K747-S751 PolarHBondContact O-N 2.89Å; K747-S803 VanDerWaalsContact CE-O 3.32Å; K747-S803 WeakPolarHBondContact CE-O 3.45Å; K747-S803 PolarHBondContact NZ-O 3.38Å | ||
| 748 | A | 81.9 | Confident | 85.2 | Confident | 24 Ų | 24 | 32 Ų | 32 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.3 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L742 C750 S751 L752 | L742-A748 HydrophobicContact CD2-CB 4.17Å; A748-C750 VanDerWaalsContact C-N 3.28Å; A748-C750 PolarHBondContact O-N 3.28Å; A748-S751 WeakPolarHBondContact O-CB 3.48Å; A748-S751 PolarHBondContact O-N 3.32Å; A748-L752 PolarHBondContact O-N 3.43Å |
| 749 | I | 85.6 | Confident | 85.5 | Confident | 50 Ų | 50 | 30.8 Ų | 30.8 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61 | -37.7 | 177 | -63.5 | 165.8 | 0 | 0 | 0 | 111.5 | K747 L752 W753 | K747-I749 VanDerWaalsContact C-N 3.25Å; K747-I749 PolarHBondContact O-N 3.4Å; K747-I749 VanDerWaalsContact O-N 3.15Å; I749-L752 PolarHBondContact O-N 2.88Å; I749-W753 PolarHBondContact O-N 2.85Å |
| 750 | C | 87.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.02 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | I745 K747 A748 W753 V754 L873 | I745-C750 HydrophobicContact CG2-CB 3.89Å; K747-C750 HydrophobicContact CB-CB 4.32Å; K747-C750 WeakPolarHBondContact O-CB 3.26Å; K747-C750 PolarHBondContact O-N 3.46Å; A748-C750 VanDerWaalsContact C-N 3.28Å; A748-C750 PolarHBondContact O-N 3.28Å; C750-W753 PolarHBondContact O-N 3.5Å; C750-V754 WeakPolarHBondContact O-CG2 3.45Å; C750-V754 PolarHBondContact O-N 3.35Å; C750-L873 HydrophobicContact CB-CD2 4.25Å |
| 751 | S | 87.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 174.1 | 162.2 | 0 | 0 | 0 | 0 | 112.2 | A741 L742 K747 A748 W753 V754 T755 | A741-S751 VanDerWaalsContact CB-OG 3.22Å; A741-S751 WeakPolarHBondContact CB-OG 3.42Å; L742-S751 WeakPolarHBondContact CD2-OG 3.2Å; L742-S751 PolarHBondContact N-OG 2.96Å; K747-S751 PolarHBondContact O-N 2.89Å; A748-S751 WeakPolarHBondContact O-CB 3.48Å; A748-S751 PolarHBondContact O-N 3.32Å; S751-W753 VanDerWaalsContact C-N 3.33Å; S751-W753 PolarHBondContact O-N 2.91Å; S751-V754 PolarHBondContact O-N 3.33Å; S751-T755 PolarHBondContact O-N 3.49Å; S751-T755 PolarHBondContact O-OG1 3.38Å |
| 752 | L | 88.5 | Confident | 86.9 | Confident | 43 Ų | 43 | 25.5 Ų | 25.5 | 23% | 0.225 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -40.7 | 177.3 | -69.7 | 176.8 | 0 | 0 | 0 | 112.9 | A748 I749 T755 F756 I926 | A748-L752 PolarHBondContact O-N 3.43Å; I749-L752 PolarHBondContact O-N 2.88Å; L752-T755 PolarHBondContact O-N 2.65Å; L752-F756 WeakPolarHBondContact O-CB 3.45Å; L752-F756 PolarHBondContact O-N 3.49Å; L752-I926 HydrophobicContact CD1-CD1 4.22Å |
| 753 | W | 91.4 | Very high | 87.3 | Confident | 46 Ų | 46 | 25.3 Ų | 25.3 | 17% | 0.174 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.2 | -33.3 | 177.2 | -76.3 | 120.3 | 0 | 0 | 0 | 113.3 | I749 C750 S751 F756 A757 L869 F872 L873 S876 | I749-W753 PolarHBondContact O-N 2.85Å; C750-W753 PolarHBondContact O-N 3.5Å; S751-W753 VanDerWaalsContact C-N 3.33Å; S751-W753 PolarHBondContact O-N 2.91Å; W753-F756 HydrophobicContact CE3-CB 4.18Å; W753-F756 AromaticContact CE3-CD1 3.81Å; W753-F756 HydrophobicContact CE3-CD1 3.81Å; W753-F756 HydrophobicContact CE3-CG 4.2Å; W753-F756 AromaticContact CZ3-CD1 3.78Å; W753-F756 HydrophobicContact CZ3-CD1 3.78Å; W753-F756 HydrophobicContact CZ3-CE1 4.13Å; W753-F756 HydrophobicContact CZ3-CG 4.24Å; W753-F756 PolarHBondContact O-N 3.37Å; W753-A757 WeakPolarHBondContact O-CB 3.48Å; W753-A757 PolarHBondContact O-N 3.05Å; W753-L869 HydrophobicContact CB-CD1 3.9Å; W753-F872 HydrophobicContact CD2-CB 3.63Å; W753-F872 HydrophobicContact CD2-CG 4.35Å; W753-F872 HydrophobicContact CE3-CB 3.56Å; W753-F872 HydrophobicContact CE3-CD1 4.41Å; W753-F872 HydrophobicContact CE3-CD2 4Å; W753-F872 AromaticContact CE3-CG 3.76Å; W753-F872 HydrophobicContact CE3-CG 3.76Å; W753-F872 HydrophobicContact CG-CB 4.21Å; W753-F872 HydrophobicContact CH2-CB 4.09Å; W753-F872 AromaticContact CH2-CD1 3.98Å; W753-F872 HydrophobicContact CH2-CD1 3.98Å; W753-F872 HydrophobicContact CH2-CG 4.12Å; W753-F872 HydrophobicContact CZ2-CB 4.15Å; W753-F872 HydrophobicContact CZ3-CB 3.8Å; W753-F872 AromaticContact CZ3-CD1 3.82Å; W753-F872 HydrophobicContact CZ3-CD1 3.82Å; W753-F872 HydrophobicContact CZ3-CD2 4.06Å; W753-F872 HydrophobicContact CZ3-CE1 4.42Å; W753-F872 AromaticContact CZ3-CG 3.64Å; W753-F872 HydrophobicContact CZ3-CG 3.64Å; W753-L873 HydrophobicContact CB-CD2 4.12Å; W753-L873 HydrophobicContact CG-CD2 4.36Å; W753-S876 PolarHBondContact NE1-OG 2.92Å; W753-S876 VanDerWaalsContact NE1-OG 3.16Å |
| 754 | V | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | 171.1 | 171 | 0 | 0 | 0 | 0 | 109.7 | I745 C750 S751 F756 A757 I758 V792 A799 | I745-V754 HydrophobicContact CD1-CG2 4.27Å; C750-V754 WeakPolarHBondContact O-CG2 3.45Å; C750-V754 PolarHBondContact O-N 3.35Å; S751-V754 PolarHBondContact O-N 3.33Å; V754-F756 VanDerWaalsContact C-N 3.33Å; V754-F756 PolarHBondContact O-N 3.43Å; V754-A757 WeakPolarHBondContact O-CB 3.17Å; V754-A757 PolarHBondContact O-N 3.21Å; V754-A757 VanDerWaalsContact O-N 3.11Å; V754-I758 HydrophobicContact CG1-CD1 3.79Å; V754-I758 VanDerWaalsContact O-CD1 3.31Å; V754-I758 WeakPolarHBondContact O-CD1 3.3Å; V754-I758 VanDerWaalsContact O-CG1 3.26Å; V754-I758 WeakPolarHBondContact O-CG1 3.26Å; V754-I758 PolarHBondContact O-N 3.02Å; V754-V792 HydrophobicContact CG1-CG1 4.25Å; V754-A799 HydrophobicContact CG2-CB 3.29Å |
| 755 | T | 88.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 4% | 0.037 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | I734 I738 S751 L752 A757 I758 L759 | I734-T755 HydrophobicContact CG2-CG2 4.15Å; I738-T755 HydrophobicContact CD1-CG2 3.69Å; I738-T755 HydrophobicContact CG1-CG2 3.36Å; I738-T755 WeakPolarHBondContact CG1-OG1 3.33Å; S751-T755 PolarHBondContact O-N 3.49Å; S751-T755 PolarHBondContact O-OG1 3.38Å; L752-T755 PolarHBondContact O-N 2.65Å; T755-A757 VanDerWaalsContact C-N 3.32Å; T755-A757 PolarHBondContact O-N 2.94Å; T755-I758 PolarHBondContact O-N 2.67Å; T755-L759 PolarHBondContact O-N 2.88Å |
| 756 | F | 91.3 | Very high | 89.4 | Confident | 40 Ų | 40 | 19.5 Ų | 19.5 | 18% | 0.175 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 176.8 | 178.5 | -101.6 | 0 | 0 | 0 | 112.2 | F525 L752 W753 V754 I758 S760 F872 | F525-F756 HydrophobicContact CE1-CE1 4.09Å; F525-F756 AromaticContact CE1-CZ 3.95Å; F525-F756 HydrophobicContact CE1-CZ 3.95Å; F525-F756 HydrophobicContact CE2-CE1 4.21Å; F525-F756 AromaticContact CZ-CE1 3.47Å; F525-F756 HydrophobicContact CZ-CE1 3.47Å; F525-F756 VanDerWaalsContact CZ-CE1 3.47Å; F525-F756 AromaticContact CZ-CZ 3.54Å; F525-F756 HydrophobicContact CZ-CZ 3.54Å; L752-F756 WeakPolarHBondContact O-CB 3.45Å; L752-F756 PolarHBondContact O-N 3.49Å; W753-F756 HydrophobicContact CE3-CB 4.18Å; W753-F756 AromaticContact CE3-CD1 3.81Å; W753-F756 HydrophobicContact CE3-CD1 3.81Å; W753-F756 HydrophobicContact CE3-CG 4.2Å; W753-F756 AromaticContact CZ3-CD1 3.78Å; W753-F756 HydrophobicContact CZ3-CD1 3.78Å; W753-F756 HydrophobicContact CZ3-CE1 4.13Å; W753-F756 HydrophobicContact CZ3-CG 4.24Å; W753-F756 PolarHBondContact O-N 3.37Å; V754-F756 VanDerWaalsContact C-N 3.33Å; V754-F756 PolarHBondContact O-N 3.43Å; F756-I758 VanDerWaalsContact C-N 3.32Å; F756-I758 PolarHBondContact O-N 3.12Å; F756-S760 WeakPolarHBondContact O-CB 3.31Å; F756-S760 PolarHBondContact O-N 3.33Å; F756-F872 HydrophobicContact CD1-CD2 4.43Å; F756-F872 HydrophobicContact CD1-CE2 4.18Å; F756-F872 HydrophobicContact CE1-CD2 4.42Å; F756-F872 AromaticContact CE1-CE2 3.79Å; F756-F872 HydrophobicContact CE1-CE2 3.79Å; F756-F872 AromaticContact CE1-CZ 3.99Å; F756-F872 HydrophobicContact CE1-CZ 3.99Å |
| 757 | A | 92.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W753 V754 T755 S760 V761 | W753-A757 WeakPolarHBondContact O-CB 3.48Å; W753-A757 PolarHBondContact O-N 3.05Å; V754-A757 WeakPolarHBondContact O-CB 3.17Å; V754-A757 PolarHBondContact O-N 3.21Å; V754-A757 VanDerWaalsContact O-N 3.11Å; T755-A757 VanDerWaalsContact C-N 3.32Å; T755-A757 PolarHBondContact O-N 2.94Å; A757-S760 WeakPolarHBondContact O-CB 3.39Å; A757-S760 PolarHBondContact O-N 3.3Å; A757-V761 VanDerWaalsContact O-CG2 3.29Å; A757-V761 WeakPolarHBondContact O-CG2 3.28Å; A757-V761 PolarHBondContact O-N 2.88Å |
| 758 | I | 89.8 | Confident | 90.8 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.8 | -52.3 | 178.1 | -62.6 | 153.7 | 0 | 0 | 0 | 110.6 | M737 V754 T755 F756 S760 V761 D762 I788 V792 | M737-I758 HydrophobicContact CB-CD1 4.48Å; V754-I758 HydrophobicContact CG1-CD1 3.79Å; V754-I758 VanDerWaalsContact O-CD1 3.31Å; V754-I758 WeakPolarHBondContact O-CD1 3.3Å; V754-I758 VanDerWaalsContact O-CG1 3.26Å; V754-I758 WeakPolarHBondContact O-CG1 3.26Å; V754-I758 PolarHBondContact O-N 3.02Å; T755-I758 PolarHBondContact O-N 2.67Å; F756-I758 VanDerWaalsContact C-N 3.32Å; F756-I758 PolarHBondContact O-N 3.12Å; I758-S760 PolarHBondContact O-N 3.08Å; I758-V761 PolarHBondContact O-N 3.01Å; I758-D762 PolarHBondContact O-N 3.11Å; I758-I788 HydrophobicContact CG2-CG2 4.48Å; I758-V792 HydrophobicContact CD1-CB 4.03Å; I758-V792 HydrophobicContact CD1-CG1 4Å; I758-V792 HydrophobicContact CD1-CG2 3.32Å; I758-V792 HydrophobicContact CG1-CB 4.31Å; I758-V792 HydrophobicContact CG1-CG2 3.61Å; I758-V792 HydrophobicContact CG2-CG2 4.35Å |
| 759 | L | 90.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 16.7 Ų | 16.7 | 16% | 0.157 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.6 | -40.1 | 176.4 | 177.5 | 64.3 | 0 | 0 | 0 | 111.7 | I734 T755 L763 W933 | I734-L759 HydrophobicContact CD1-CD1 3.88Å; T755-L759 PolarHBondContact O-N 2.88Å; L759-L763 WeakPolarHBondContact O-CG 3.48Å; L759-L763 PolarHBondContact O-N 3.43Å; L759-W933 HydrophobicContact CD2-CE3 3.94Å; L759-W933 HydrophobicContact CD2-CZ3 4.34Å; L759-W933 HydrophobicContact CG-CE3 4.23Å; L759-W933 HydrophobicContact CG-CZ3 4.2Å |
| 760 | S | 94.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | F525 Y528 F756 A757 I758 G764 H864 | F525-S760 WeakPolarHBondContact CE2-OG 3.34Å; Y528-S760 WeakPolarHBondContact CE1-OG 3.45Å; Y528-S760 PolarHBondContact OH-O 3Å; F756-S760 WeakPolarHBondContact O-CB 3.31Å; F756-S760 PolarHBondContact O-N 3.33Å; A757-S760 WeakPolarHBondContact O-CB 3.39Å; A757-S760 PolarHBondContact O-N 3.3Å; I758-S760 PolarHBondContact O-N 3.08Å; S760-G764 PolarHBondContact O-N 3.41Å; S760-G764 VanDerWaalsContact O-N 3.1Å; S760-H864 WeakPolarHBondContact CB-NE2 3.35Å; S760-H864 PolarHBondContact OG-NE2 3.22Å |
| 761 | V | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | A757 I758 L763 G764 V765 L860 H864 | A757-V761 VanDerWaalsContact O-CG2 3.29Å; A757-V761 WeakPolarHBondContact O-CG2 3.28Å; A757-V761 PolarHBondContact O-N 2.88Å; I758-V761 PolarHBondContact O-N 3.01Å; V761-L763 PolarHBondContact O-N 3.38Å; V761-G764 CarbonylContact O-C 3.59Å; V761-G764 WeakPolarHBondContact O-CA 3.47Å; V761-G764 PolarHBondContact O-N 3.45Å; V761-V765 HydrophobicContact CG1-CG2 3.98Å; V761-V765 WeakPolarHBondContact O-CG2 3.16Å; V761-V765 PolarHBondContact O-N 2.96Å; V761-L860 HydrophobicContact CG1-CB 4.27Å; V761-H864 HydrophobicContact CG2-CB 3.94Å; V761-H864 VanDerWaalsContact CG2-CG 3.4Å; V761-H864 WeakPolarHBondContact CG2-ND1 3.47Å |
| 762 | D | 91.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | -177 | -68.3 | -29.9 | 0 | 0 | 0 | 111.8 | I758 G764 V765 I766 S787 | I758-D762 PolarHBondContact O-N 3.11Å; D762-G764 VanDerWaalsContact C-N 3.29Å; D762-G764 PolarHBondContact O-N 3.1Å; D762-V765 PolarHBondContact O-N 3.41Å; D762-I766 WeakPolarHBondContact O-CG1 3.43Å; D762-I766 PolarHBondContact O-N 3.24Å; D762-S787 PolarHBondContact OD1-OG 3.23Å |
| 763 | L | 92.4 | Very high | 92.2 | Very high | 43 Ų | 43 | 24.1 Ų | 24.1 | 23% | 0.225 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -34.5 | 173.4 | -70.9 | -174.1 | 0 | 0 | 0 | 112.7 | C536 L759 V761 G767 W933 | C536-L763 PolarHBondContact SG-O 3.36Å; L759-L763 WeakPolarHBondContact O-CG 3.48Å; L759-L763 PolarHBondContact O-N 3.43Å; V761-L763 PolarHBondContact O-N 3.38Å; L763-G767 PolarHBondContact O-N 2.79Å; L763-W933 HydrophobicContact CD1-CE3 3.62Å; L763-W933 HydrophobicContact CD1-CH2 3.62Å; L763-W933 HydrophobicContact CD1-CZ3 3.03Å; L763-W933 HydrophobicContact CG-CZ3 4.28Å |
| 764 | G | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y528 S532 S760 V761 D762 I766 G767 F768 | Y528-G764 VanDerWaalsContact OH-CA 3.25Å; Y528-G764 WeakPolarHBondContact OH-CA 3.46Å; S532-G764 VanDerWaalsContact OG-CA 3.32Å; S532-G764 WeakPolarHBondContact OG-CA 3.49Å; S760-G764 PolarHBondContact O-N 3.41Å; S760-G764 VanDerWaalsContact O-N 3.1Å; V761-G764 CarbonylContact O-C 3.59Å; V761-G764 WeakPolarHBondContact O-CA 3.47Å; V761-G764 PolarHBondContact O-N 3.45Å; D762-G764 VanDerWaalsContact C-N 3.29Å; D762-G764 PolarHBondContact O-N 3.1Å; G764-I766 VanDerWaalsContact C-N 3.35Å; G764-I766 PolarHBondContact O-N 3.1Å; G764-G767 PolarHBondContact O-N 2.68Å; G764-F768 VanDerWaalsContact O-CB 3.3Å; G764-F768 WeakPolarHBondContact O-CB 3.34Å; G764-F768 WeakPolarHBondContact O-CD2 3.47Å; G764-F768 PolarHBondContact O-N 2.93Å |
| 765 | V | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | V761 D762 G767 M769 T853 V857 L860 | V761-V765 HydrophobicContact CG1-CG2 3.98Å; V761-V765 WeakPolarHBondContact O-CG2 3.16Å; V761-V765 PolarHBondContact O-N 2.96Å; D762-V765 PolarHBondContact O-N 3.41Å; V765-G767 PolarHBondContact O-N 2.89Å; V765-M769 WeakPolarHBondContact O-CB 3.32Å; V765-M769 PolarHBondContact O-N 3.2Å; V765-T853 HydrophobicContact CG1-CG2 3.74Å; V765-V857 HydrophobicContact CG1-CG2 4.01Å; V765-V857 HydrophobicContact CG2-CB 4.49Å; V765-V857 HydrophobicContact CG2-CG2 3.77Å; V765-L860 HydrophobicContact CG2-CD1 4.09Å |
| 766 | I | 92.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 22.6 Ų | 22.6 | 9% | 0.087 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 177.4 | -64.4 | 167.1 | 0 | 0 | 0 | 111 | I539 D762 G764 M769 T770 I784 | I539-I766 HydrophobicContact CD1-CG2 3.89Å; I539-I766 HydrophobicContact CG1-CG2 4.32Å; D762-I766 WeakPolarHBondContact O-CG1 3.43Å; D762-I766 PolarHBondContact O-N 3.24Å; G764-I766 VanDerWaalsContact C-N 3.35Å; G764-I766 PolarHBondContact O-N 3.1Å; I766-M769 PolarHBondContact O-N 3.47Å; I766-T770 WeakPolarHBondContact O-CG2 3.3Å; I766-T770 PolarHBondContact O-N 3.5Å; I766-I784 HydrophobicContact CG1-CD1 4.13Å; I766-I784 HydrophobicContact CG1-CG1 4.44Å |
| 767 | G | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.4 | -42.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S532 G535 L763 G764 V765 T770 L771 | S532-G767 WeakPolarHBondContact O-CA 3.43Å; G535-G767 WeakPolarHBondContact CA-O 3.48Å; L763-G767 PolarHBondContact O-N 2.79Å; G764-G767 PolarHBondContact O-N 2.68Å; V765-G767 PolarHBondContact O-N 2.89Å; G767-T770 PolarHBondContact O-OG1 3.13Å; G767-L771 VanDerWaalsContact O-CG 3.28Å; G767-L771 WeakPolarHBondContact O-CG 3.47Å; G767-L771 PolarHBondContact O-N 2.69Å |
| 768 | F | 95.5 | Very high | 91.3 | Very high | 59 Ų | 59 | 20.6 Ų | 20.6 | 26% | 0.259 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -75 | -27.4 | 177 | -77.5 | -75.4 | 0 | 0 | 0 | 112.1 | Y528 A531 G764 T770 L771 W772 L856 L860 | Y528-F768 AromaticContact CD2-CE2 3.68Å; Y528-F768 HydrophobicContact CD2-CE2 3.68Å; Y528-F768 HydrophobicContact CD2-CZ 4.31Å; Y528-F768 HydrophobicContact CE2-CD2 4.27Å; Y528-F768 AromaticContact CE2-CE2 3.65Å; Y528-F768 HydrophobicContact CE2-CE2 3.65Å; A531-F768 HydrophobicContact CB-CE1 4.47Å; A531-F768 HydrophobicContact CB-CZ 3.93Å; G764-F768 VanDerWaalsContact O-CB 3.3Å; G764-F768 WeakPolarHBondContact O-CB 3.34Å; G764-F768 WeakPolarHBondContact O-CD2 3.47Å; G764-F768 PolarHBondContact O-N 2.93Å; F768-T770 VanDerWaalsContact C-N 3.35Å; F768-L771 HydrophobicContact CD1-CD1 4.16Å; F768-L771 HydrophobicContact CE1-CD1 4.34Å; F768-L771 PolarHBondContact O-N 2.89Å; F768-W772 VanDerWaalsContact O-CB 3.26Å; F768-W772 WeakPolarHBondContact O-CB 3.2Å; F768-W772 PolarHBondContact O-N 2.86Å; F768-L856 HydrophobicContact CB-CD1 3.86Å; F768-L856 HydrophobicContact CB-CD2 3.88Å; F768-L860 HydrophobicContact CD2-CD1 4.16Å |
| 769 | M | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 172.1 | 179 | 179.9 | 81 | 0 | 0 | 110.7 | V765 I766 W772 G773 L774 M776 I784 L856 | V765-M769 WeakPolarHBondContact O-CB 3.32Å; V765-M769 PolarHBondContact O-N 3.2Å; I766-M769 PolarHBondContact O-N 3.47Å; M769-W772 CarbonylContact O-C 3.53Å; M769-W772 PolarHBondContact O-N 3.21Å; M769-G773 PolarHBondContact O-N 3.44Å; M769-L774 HydrophobicContact CG-CB 3.45Å; M769-L774 VanDerWaalsContact CG-CB 3.45Å; M769-L774 HydrophobicContact CG-CD1 3.83Å; M769-L774 HydrophobicContact CG-CG 4.26Å; M769-L774 WeakPolarHBondContact O-CB 3.3Å; M769-L774 PolarHBondContact O-N 3.22Å; M769-M776 HydrophobicContact CE-CB 4.26Å; M769-M776 HydrophobicContact CE-CG 4.45Å; M769-I784 HydrophobicContact CE-CD1 4.14Å; M769-I784 HydrophobicContact SD-CD1 4.35Å; M769-L856 HydrophobicContact CB-CD1 4.39Å |
| 770 | T | 91.6 | Very high | 91 | Very high | 20 Ų | 20 | 19.2 Ų | 19.2 | 12% | 0.123 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 178.1 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | G535 I539 I766 G767 F768 W772 G773 | G535-T770 WeakPolarHBondContact CA-OG1 3.43Å; G535-T770 PolarHBondContact O-OG1 2.91Å; I539-T770 HydrophobicContact CB-CG2 4.17Å; I539-T770 HydrophobicContact CG1-CG2 3.63Å; I766-T770 WeakPolarHBondContact O-CG2 3.3Å; I766-T770 PolarHBondContact O-N 3.5Å; G767-T770 PolarHBondContact O-OG1 3.13Å; F768-T770 VanDerWaalsContact C-N 3.35Å; T770-W772 PolarHBondContact O-N 3.46Å; T770-G773 PolarHBondContact O-N 3.15Å |
| 771 | L | 93.1 | Very high | 90.8 | Very high | 84 Ų | 84 | 19.1 Ų | 19.1 | 44% | 0.44 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.4 | -27.3 | 174.4 | -65.6 | 173.9 | 0 | 0 | 0 | 112.4 | Y534 G767 F768 G773 | Y534-L771 HydrophobicContact CD1-CD2 3.88Å; Y534-L771 HydrophobicContact CE1-CD2 3.88Å; G767-L771 VanDerWaalsContact O-CG 3.28Å; G767-L771 WeakPolarHBondContact O-CG 3.47Å; G767-L771 PolarHBondContact O-N 2.69Å; F768-L771 HydrophobicContact CD1-CD1 4.16Å; F768-L771 HydrophobicContact CE1-CD1 4.34Å; F768-L771 PolarHBondContact O-N 2.89Å; L771-G773 PolarHBondContact O-N 3.08Å |
| 772 | W | 93.1 | Very high | 90.6 | Very high | 102 Ų | 102 | 19.3 Ų | 19.3 | 39% | 0.386 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 8.9 | 173.9 | -149.4 | -8.1 | 0 | 0 | 0 | 113.6 | F768 M769 T770 L774 K852 F855 L856 | F768-W772 VanDerWaalsContact O-CB 3.26Å; F768-W772 WeakPolarHBondContact O-CB 3.2Å; F768-W772 PolarHBondContact O-N 2.86Å; M769-W772 CarbonylContact O-C 3.53Å; M769-W772 PolarHBondContact O-N 3.21Å; T770-W772 PolarHBondContact O-N 3.46Å; W772-L774 VanDerWaalsContact C-N 3.32Å; W772-L774 PolarHBondContact O-N 3.32Å; W772-K852 HydrophobicContact CD2-CB 4.38Å; W772-K852 HydrophobicContact CD2-CD 4.04Å; W772-K852 HydrophobicContact CD2-CG 4.19Å; W772-K852 HydrophobicContact CE3-CB 3.97Å; W772-K852 HydrophobicContact CE3-CD 4.45Å; W772-K852 HydrophobicContact CE3-CG 4.2Å; W772-K852 HydrophobicContact CG-CD 4.32Å; W772-K852 HydrophobicContact CH2-CB 4.33Å; W772-K852 HydrophobicContact CH2-CG 4.08Å; W772-K852 HydrophobicContact CZ2-CD 4.48Å; W772-K852 HydrophobicContact CZ2-CG 4.05Å; W772-K852 HydrophobicContact CZ3-CB 3.94Å; W772-K852 HydrophobicContact CZ3-CG 4.15Å; W772-F855 AromaticContact CH2-CD1 3.85Å; W772-F855 HydrophobicContact CH2-CD1 3.85Å; W772-F855 HydrophobicContact CH2-CE1 4.34Å; W772-F855 AromaticContact CZ3-CD1 3.97Å; W772-F855 HydrophobicContact CZ3-CD1 3.97Å; W772-L856 HydrophobicContact CE3-CD1 3.95Å; W772-L856 HydrophobicContact CE3-CD2 3.87Å; W772-L856 HydrophobicContact CE3-CG 3.83Å; W772-L856 HydrophobicContact CZ3-CD1 4.4Å; W772-L856 HydrophobicContact CZ3-CD2 3.8Å; W772-L856 HydrophobicContact CZ3-CG 3.78Å |
| 773 | G | 88.5 | Confident | 90.5 | Very high | 47 Ų | 47 | 19.1 Ų | 19.1 | 49% | 0.485 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 23.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | M769 T770 L771 | M769-G773 PolarHBondContact O-N 3.44Å; T770-G773 PolarHBondContact O-N 3.15Å; L771-G773 PolarHBondContact O-N 3.08Å |
| 774 | L | 89.3 | Confident | 90.3 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | trans | -90.4 | 140.4 | 174.3 | -64.5 | 173.5 | 0 | 0 | 0 | 110.2 | M769 W772 Y845 K852 | M769-L774 HydrophobicContact CG-CB 3.45Å; M769-L774 VanDerWaalsContact CG-CB 3.45Å; M769-L774 HydrophobicContact CG-CD1 3.83Å; M769-L774 HydrophobicContact CG-CG 4.26Å; M769-L774 WeakPolarHBondContact O-CB 3.3Å; M769-L774 PolarHBondContact O-N 3.22Å; W772-L774 VanDerWaalsContact C-N 3.32Å; W772-L774 PolarHBondContact O-N 3.32Å; L774-Y845 HydrophobicContact CD2-CE2 4.18Å; L774-K852 HydrophobicContact CD1-CB 3.78Å; L774-K852 HydrophobicContact CD1-CD 3.99Å; L774-K852 HydrophobicContact CD2-CD 3.98Å; L774-K852 HydrophobicContact CG-CD 4.21Å | ||
| 775 | N | 87 | Confident | 90 | Very high | 14 Ų | 14 | 17.4 Ų | 17.4 | 8% | 0.075 | 9% | 0.094 | C | C | . | . | trans | -83.9 | 153.4 | 174.5 | -73.4 | 2.4 | 0 | 0 | 0 | 110.5 | G542 K547 D777 Y845 | G542-N775 PolarHBondContact O-ND2 3.17Å; K547-N775 PolarHBondContact NZ-ND2 2.87Å; N775-D777 PolarHBondContact O-N 3.1Å; N775-Y845 PolarHBondContact N-OH 2.85Å | ||
| 776 | M | 86.3 | Confident | 89.7 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 98.1 | 168.2 | -165.3 | 175.3 | -166.8 | 0 | 0 | 108.3 | I539 R540 G542 I722 L723 I726 M769 | I539-M776 HydrophobicContact CD1-SD 4.49Å; I539-M776 HydrophobicContact CG2-CB 3.94Å; I539-M776 HydrophobicContact CG2-SD 3.64Å; R540-M776 PolarHBondContact O-N 3.41Å; G542-M776 PolarHBondContact N-O 3.25Å; I722-M776 HydrophobicContact CG2-CG 3.89Å; L723-M776 HydrophobicContact CD1-CE 3.55Å; L723-M776 HydrophobicContact CD1-SD 3.85Å; I726-M776 HydrophobicContact CB-CE 3.59Å; I726-M776 HydrophobicContact CD1-CE 3.19Å; I726-M776 HydrophobicContact CD1-CG 3.71Å; I726-M776 HydrophobicContact CD1-SD 4.21Å; I726-M776 HydrophobicContact CG1-CE 3.92Å; I726-M776 HydrophobicContact CG2-CE 3.48Å; I726-M776 VanDerWaalsContact CG2-CE 3.48Å; M769-M776 HydrophobicContact CE-CB 4.26Å; M769-M776 HydrophobicContact CE-CG 4.45Å |
| 777 | D | 87 | Confident | 89.4 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -126.3 | 173.1 | -177.9 | 56.2 | 48.6 | 0 | 0 | 0 | 112 | L543 N775 V779 S780 M781 Y845 | L543-D777 HydrophobicContact CB-CB 3.73Å; L543-D777 HydrophobicContact CD1-CB 3.84Å; L543-D777 HydrophobicContact CD2-CB 4.28Å; L543-D777 HydrophobicContact CG-CB 4.16Å; N775-D777 PolarHBondContact O-N 3.1Å; D777-V779 PolarHBondContact O-N 3.07Å; D777-V779 WeakPolarHBondContact OD1-CA 3.39Å; D777-V779 WeakPolarHBondContact OD1-CB 3.37Å; D777-V779 PolarHBondContact OD1-N 3.3Å; D777-V779 VanDerWaalsContact OD1-N 3.08Å; D777-S780 PolarHBondContact N-OG 3.13Å; D777-S780 PolarHBondContact O-N 3.47Å; D777-S780 VanDerWaalsContact O-N 3.15Å; D777-S780 PolarHBondContact O-OG 3.06Å; D777-S780 WeakPolarHBondContact OD1-CB 3.29Å; D777-S780 PolarHBondContact OD1-N 2.71Å; D777-M781 PolarHBondContact O-N 3.47Å; D777-Y845 WeakPolarHBondContact OD2-CE1 3.37Å; D777-Y845 PolarHBondContact OD2-OH 3.14Å | ||
| 778 | T | 87 | Confident | 89 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.2 | -28 | 179.1 | -54.6 | 0 | 0 | 0 | 0 | 113 | Y54 F396 A398 V399 Q718 M781 | Y54-T778 HydrophobicContact CD1-CG2 4.14Å; F396-T778 HydrophobicContact CB-CG2 4.04Å; F396-T778 HydrophobicContact CD1-CG2 3.98Å; F396-T778 HydrophobicContact CG-CG2 4.08Å; A398-T778 HydrophobicContact CB-CG2 4.39Å; V399-T778 HydrophobicContact CG2-CG2 3.69Å; Q718-T778 PolarHBondContact NE2-OG1 3.4Å; T778-M781 WeakPolarHBondContact O-CB 3.45Å |
| 779 | V | 85.3 | Confident | 88.4 | Confident | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -74.5 | -44.5 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | Y54 L548 D777 M781 I782 T783 M846 | Y54-V779 HydrophobicContact CE1-CG2 4.42Å; L548-V779 HydrophobicContact CD2-CG2 4.39Å; D777-V779 PolarHBondContact O-N 3.07Å; D777-V779 WeakPolarHBondContact OD1-CA 3.39Å; D777-V779 WeakPolarHBondContact OD1-CB 3.37Å; D777-V779 PolarHBondContact OD1-N 3.3Å; D777-V779 VanDerWaalsContact OD1-N 3.08Å; V779-M781 PolarHBondContact O-N 3.32Å; V779-I782 WeakPolarHBondContact O-CB 3.2Å; V779-I782 PolarHBondContact O-N 2.77Å; V779-T783 PolarHBondContact O-N 3.16Å; V779-M846 HydrophobicContact CB-CG 4.5Å; V779-M846 HydrophobicContact CG1-CG 3.89Å; V779-M846 HydrophobicContact CG2-CG 3.84Å; V779-M846 HydrophobicContact CG2-SD 4.34Å |
| 780 | S | 88 | Confident | 88 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -34.5 | 174.8 | 76.2 | 0 | 0 | 0 | 0 | 111.8 | D777 I782 T783 I784 | D777-S780 PolarHBondContact N-OG 3.13Å; D777-S780 PolarHBondContact O-N 3.47Å; D777-S780 VanDerWaalsContact O-N 3.15Å; D777-S780 PolarHBondContact O-OG 3.06Å; D777-S780 WeakPolarHBondContact OD1-CB 3.29Å; D777-S780 PolarHBondContact OD1-N 2.71Å; S780-I782 VanDerWaalsContact C-N 3.33Å; S780-I782 PolarHBondContact O-N 2.67Å; S780-T783 WeakPolarHBondContact CA-OG1 3.36Å; S780-T783 PolarHBondContact O-N 3.26Å; S780-T783 VanDerWaalsContact O-N 3.11Å; S780-T783 PolarHBondContact O-OG1 3.48Å; S780-I784 VanDerWaalsContact O-CG1 3.3Å; S780-I784 WeakPolarHBondContact O-CG1 3.19Å; S780-I784 PolarHBondContact O-N 2.77Å |
| 781 | M | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 174.6 | -173.5 | 165.1 | 83.9 | 0 | 0 | 111.7 | T394 F396 V399 N725 I726 D777 T778 V779 T783 I784 V785 | T394-M781 HydrophobicContact CG2-CE 3.83Å; T394-M781 HydrophobicContact CG2-SD 4.31Å; F396-M781 HydrophobicContact CB-CE 3.84Å; F396-M781 HydrophobicContact CD2-CE 3.47Å; F396-M781 VanDerWaalsContact CD2-CE 3.47Å; F396-M781 HydrophobicContact CD2-SD 4.21Å; F396-M781 HydrophobicContact CE2-CE 4.32Å; F396-M781 HydrophobicContact CG-CE 3.92Å; V399-M781 HydrophobicContact CB-CE 3.65Å; V399-M781 HydrophobicContact CG1-CE 3.87Å; V399-M781 HydrophobicContact CG2-CE 3.21Å; N725-M781 HydrophobicContact CB-SD 4.11Å; I726-M781 HydrophobicContact CD1-CB 3.95Å; I726-M781 HydrophobicContact CD1-CG 4.07Å; I726-M781 HydrophobicContact CD1-SD 4.49Å; I726-M781 HydrophobicContact CG1-CB 4.08Å; I726-M781 HydrophobicContact CG1-CG 3.62Å; I726-M781 HydrophobicContact CG1-SD 3.86Å; D777-M781 PolarHBondContact O-N 3.47Å; T778-M781 WeakPolarHBondContact O-CB 3.45Å; V779-M781 PolarHBondContact O-N 3.32Å; M781-T783 VanDerWaalsContact C-N 3.3Å; M781-T783 PolarHBondContact O-N 2.92Å; M781-I784 PolarHBondContact O-N 3.25Å; M781-V785 WeakPolarHBondContact O-CG2 3.26Å; M781-V785 PolarHBondContact O-N 2.78Å |
| 782 | I | 89.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 9.3 Ų | 9.3 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 176.2 | -64.1 | 171.3 | 0 | 0 | 0 | 110.6 | V330 V399 F402 V779 S780 V785 M786 | V330-I782 HydrophobicContact CG1-CD1 3.77Å; V399-I782 HydrophobicContact CB-CG1 4.15Å; V399-I782 HydrophobicContact CG1-CG1 4.06Å; V399-I782 HydrophobicContact CG2-CD1 4.06Å; V399-I782 HydrophobicContact CG2-CG1 3.51Å; F402-I782 HydrophobicContact CB-CD1 4.18Å; F402-I782 HydrophobicContact CD1-CG2 3.32Å; F402-I782 HydrophobicContact CD2-CG2 4.24Å; F402-I782 HydrophobicContact CE1-CG2 3.26Å; F402-I782 HydrophobicContact CE2-CG2 4.18Å; F402-I782 HydrophobicContact CG-CD1 4.2Å; F402-I782 HydrophobicContact CG-CG2 3.84Å; F402-I782 HydrophobicContact CZ-CG2 3.72Å; V779-I782 WeakPolarHBondContact O-CB 3.2Å; V779-I782 PolarHBondContact O-N 2.77Å; S780-I782 VanDerWaalsContact C-N 3.33Å; S780-I782 PolarHBondContact O-N 2.67Å; I782-V785 PolarHBondContact O-N 3.19Å; I782-M786 WeakPolarHBondContact O-CB 3.27Å; I782-M786 PolarHBondContact O-N 3.34Å; I782-M786 VanDerWaalsContact O-N 3.09Å |
| 783 | T | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -73.1 | -27.3 | -178.7 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | V779 S780 M781 M786 S787 F850 T853 | V779-T783 PolarHBondContact O-N 3.16Å; S780-T783 WeakPolarHBondContact CA-OG1 3.36Å; S780-T783 PolarHBondContact O-N 3.26Å; S780-T783 VanDerWaalsContact O-N 3.11Å; S780-T783 PolarHBondContact O-OG1 3.48Å; M781-T783 VanDerWaalsContact C-N 3.3Å; M781-T783 PolarHBondContact O-N 2.92Å; T783-M786 HydrophobicContact CG2-CE 4.24Å; T783-S787 PolarHBondContact O-N 3.38Å; T783-F850 HydrophobicContact CG2-CB 4.49Å; T783-F850 HydrophobicContact CG2-CD2 3.3Å; T783-F850 HydrophobicContact CG2-CE2 3.53Å; T783-F850 HydrophobicContact CG2-CG 3.97Å; T783-F850 HydrophobicContact CG2-CZ 4.36Å; T783-T853 VanDerWaalsContact OG1-CG2 3.25Å; T783-T853 WeakPolarHBondContact OG1-CG2 3.2Å |
| 784 | I | 89.7 | Confident | 87 | Confident | 2 Ų | 2 | 2.7 Ų | 2.7 | 1% | 0.01 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -74.5 | -42 | 173.7 | -67.8 | 162.9 | 0 | 0 | 0 | 110.1 | I726 I766 M769 S780 M781 M786 S787 I788 | I726-I784 HydrophobicContact CD1-CD1 4.16Å; I726-I784 HydrophobicContact CG2-CG2 4.29Å; I766-I784 HydrophobicContact CG1-CD1 4.13Å; I766-I784 HydrophobicContact CG1-CG1 4.44Å; M769-I784 HydrophobicContact CE-CD1 4.14Å; M769-I784 HydrophobicContact SD-CD1 4.35Å; S780-I784 VanDerWaalsContact O-CG1 3.3Å; S780-I784 WeakPolarHBondContact O-CG1 3.19Å; S780-I784 PolarHBondContact O-N 2.77Å; M781-I784 PolarHBondContact O-N 3.25Å; I784-M786 PolarHBondContact O-N 2.83Å; I784-S787 WeakPolarHBondContact O-CB 3.47Å; I784-S787 PolarHBondContact O-N 3.45Å; I784-S787 PolarHBondContact O-OG 2.65Å; I784-I788 PolarHBondContact O-N 2.85Å |
| 785 | V | 88 | Confident | 87.1 | Confident | 5 Ų | 5 | 2.5 Ų | 2.5 | 3% | 0.03 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 172.8 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | F388 E729 M781 I782 S787 I788 | F388-V785 HydrophobicContact CD1-CG1 4.33Å; E729-V785 HydrophobicContact CB-CG2 4.36Å; M781-V785 WeakPolarHBondContact O-CG2 3.26Å; M781-V785 PolarHBondContact O-N 2.78Å; I782-V785 PolarHBondContact O-N 3.19Å; V785-S787 VanDerWaalsContact C-N 3.29Å; V785-S787 PolarHBondContact O-N 3.4Å; V785-I788 WeakPolarHBondContact O-CB 3.24Å; V785-I788 PolarHBondContact O-N 3.48Å |
| 786 | M | 86.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -63.2 | -30 | 174.2 | 176.3 | -163.8 | 77.2 | 0 | 0 | 113.3 | L337 F388 I782 T783 I784 I788 G789 F790 F850 V854 V857 | L337-M786 HydrophobicContact CD1-SD 3.75Å; L337-M786 HydrophobicContact CD2-CG 4.06Å; L337-M786 HydrophobicContact CD2-SD 3.3Å; L337-M786 WeakPolarHBondContact CD2-SD 3.2Å; L337-M786 HydrophobicContact CG-SD 4.08Å; F388-M786 HydrophobicContact CE1-CB 4.22Å; F388-M786 HydrophobicContact CZ-CB 3.9Å; F388-M786 HydrophobicContact CZ-CG 4.09Å; I782-M786 WeakPolarHBondContact O-CB 3.27Å; I782-M786 PolarHBondContact O-N 3.34Å; I782-M786 VanDerWaalsContact O-N 3.09Å; T783-M786 HydrophobicContact CG2-CE 4.24Å; I784-M786 PolarHBondContact O-N 2.83Å; M786-I788 VanDerWaalsContact C-N 3.27Å; M786-I788 PolarHBondContact O-N 3.48Å; M786-G789 PolarHBondContact O-N 3.49Å; M786-F790 HydrophobicContact CG-CD2 3.35Å; M786-F790 HydrophobicContact CG-CE2 3.14Å; M786-F790 HydrophobicContact CG-CG 4.18Å; M786-F790 HydrophobicContact CG-CZ 3.81Å; M786-F790 PolarHBondContact O-N 2.64Å; M786-F790 VanDerWaalsContact O-N 3.09Å; M786-F790 HydrophobicContact SD-CD2 4.01Å; M786-F790 HydrophobicContact SD-CE2 3.56Å; M786-F790 VanDerWaalsContact SD-CE2 3.56Å; M786-F790 HydrophobicContact SD-CZ 4.48Å; M786-F850 HydrophobicContact SD-CZ 4.31Å; M786-V854 HydrophobicContact CE-CB 4.1Å; M786-V854 HydrophobicContact CE-CG1 4.37Å; M786-V854 HydrophobicContact CE-CG2 3.35Å; M786-V854 HydrophobicContact SD-CG2 4.05Å; M786-V857 HydrophobicContact CE-CG2 4.41Å |
| 787 | S | 86.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -63.8 | -35.2 | 177.3 | 75.3 | 0 | 0 | 0 | 0 | 112.4 | D762 T783 I784 V785 S791 | D762-S787 PolarHBondContact OD1-OG 3.23Å; T783-S787 PolarHBondContact O-N 3.38Å; I784-S787 WeakPolarHBondContact O-CB 3.47Å; I784-S787 PolarHBondContact O-N 3.45Å; I784-S787 PolarHBondContact O-OG 2.65Å; V785-S787 VanDerWaalsContact C-N 3.29Å; V785-S787 PolarHBondContact O-N 3.4Å; S787-S791 WeakPolarHBondContact O-CB 3.45Å; S787-S791 PolarHBondContact O-N 3.45Å; S787-S791 PolarHBondContact O-OG 2.9Å |
| 788 | I | 85.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 2.1 Ų | 2.1 | 2% | 0.021 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -60.4 | -57.2 | 176.5 | -57.4 | 170.8 | 0 | 0 | 0 | 109 | M737 I758 I784 V785 M786 S791 V792 | M737-I788 HydrophobicContact CG-CG2 3.95Å; I758-I788 HydrophobicContact CG2-CG2 4.48Å; I784-I788 PolarHBondContact O-N 2.85Å; V785-I788 WeakPolarHBondContact O-CB 3.24Å; V785-I788 PolarHBondContact O-N 3.48Å; M786-I788 VanDerWaalsContact C-N 3.27Å; M786-I788 PolarHBondContact O-N 3.48Å; I788-S791 PolarHBondContact O-OG 2.87Å; I788-V792 WeakPolarHBondContact O-CG2 3.44Å; I788-V792 PolarHBondContact O-N 2.82Å |
| 789 | G | 83.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -58.5 | -55 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D384 M786 S791 V792 D793 | D384-G789 VanDerWaalsContact OD1-CA 3.3Å; D384-G789 WeakPolarHBondContact OD1-CA 3.19Å; M786-G789 PolarHBondContact O-N 3.49Å; G789-S791 PolarHBondContact O-N 3.44Å; G789-V792 WeakPolarHBondContact O-CB 3.48Å; G789-V792 PolarHBondContact O-N 2.93Å; G789-D793 PolarHBondContact O-N 3.45Å |
| 790 | F | 83.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 2.2 Ų | 2.2 | 2% | 0.018 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -74.2 | -29 | -171.2 | -63.9 | -14.2 | 0 | 0 | 0 | 114.7 | L337 I338 V341 F388 M786 V792 D793 V857 | L337-F790 HydrophobicContact CD1-CE2 3.75Å; L337-F790 HydrophobicContact CD1-CZ 4.47Å; L337-F790 HydrophobicContact CD2-CE2 3.7Å; L337-F790 HydrophobicContact CD2-CZ 3.82Å; L337-F790 HydrophobicContact CG-CE2 3.7Å; L337-F790 HydrophobicContact CG-CZ 3.94Å; I338-F790 HydrophobicContact CD1-CZ 4.49Å; V341-F790 HydrophobicContact CB-CE1 4.34Å; V341-F790 HydrophobicContact CB-CZ 4.27Å; V341-F790 HydrophobicContact CG1-CD1 4.08Å; V341-F790 HydrophobicContact CG1-CE1 3.8Å; V341-F790 HydrophobicContact CG1-CZ 4.22Å; V341-F790 HydrophobicContact CG2-CD1 4.46Å; V341-F790 HydrophobicContact CG2-CD2 4.14Å; V341-F790 HydrophobicContact CG2-CE1 4.03Å; V341-F790 HydrophobicContact CG2-CE2 3.64Å; V341-F790 HydrophobicContact CG2-CZ 3.61Å; F388-F790 HydrophobicContact CE2-CE1 4.4Å; M786-F790 HydrophobicContact CG-CD2 3.35Å; M786-F790 HydrophobicContact CG-CE2 3.14Å; M786-F790 HydrophobicContact CG-CG 4.18Å; M786-F790 HydrophobicContact CG-CZ 3.81Å; M786-F790 PolarHBondContact O-N 2.64Å; M786-F790 VanDerWaalsContact O-N 3.09Å; M786-F790 HydrophobicContact SD-CD2 4.01Å; M786-F790 HydrophobicContact SD-CE2 3.56Å; M786-F790 VanDerWaalsContact SD-CE2 3.56Å; M786-F790 HydrophobicContact SD-CZ 4.48Å; F790-V792 VanDerWaalsContact C-N 3.29Å; F790-D793 WeakPolarHBondContact O-CB 3.29Å; F790-D793 PolarHBondContact O-N 2.93Å; F790-V857 HydrophobicContact CB-CG1 4.26Å |
| 791 | S | 84 | Confident | 88 | Confident | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -70.5 | -30 | 175.8 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | S787 I788 G789 S795 | S787-S791 WeakPolarHBondContact O-CB 3.45Å; S787-S791 PolarHBondContact O-N 3.45Å; S787-S791 PolarHBondContact O-OG 2.9Å; I788-S791 PolarHBondContact O-OG 2.87Å; G789-S791 PolarHBondContact O-N 3.44Å; S791-S795 PolarHBondContact O-OG 2.86Å |
| 792 | V | 83.7 | Confident | 88 | Confident | 2 Ų | 2 | 3 Ų | 3 | 1% | 0.012 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.5 | -175 | 0 | 0 | 0 | 0 | 109.5 | T383 M737 V754 I758 I788 G789 F790 F794 S795 A796 | T383-V792 HydrophobicContact CG2-CG1 4.28Å; M737-V792 HydrophobicContact CE-CB 3.7Å; M737-V792 HydrophobicContact CE-CG1 3.21Å; M737-V792 HydrophobicContact CE-CG2 3.26Å; M737-V792 HydrophobicContact CG-CG2 4.08Å; M737-V792 HydrophobicContact SD-CG2 3.96Å; V754-V792 HydrophobicContact CG1-CG1 4.25Å; I758-V792 HydrophobicContact CD1-CB 4.03Å; I758-V792 HydrophobicContact CD1-CG1 4Å; I758-V792 HydrophobicContact CD1-CG2 3.32Å; I758-V792 HydrophobicContact CG1-CB 4.31Å; I758-V792 HydrophobicContact CG1-CG2 3.61Å; I758-V792 HydrophobicContact CG2-CG2 4.35Å; I788-V792 WeakPolarHBondContact O-CG2 3.44Å; I788-V792 PolarHBondContact O-N 2.82Å; G789-V792 WeakPolarHBondContact O-CB 3.48Å; G789-V792 PolarHBondContact O-N 2.93Å; F790-V792 VanDerWaalsContact C-N 3.29Å; V792-F794 PolarHBondContact O-N 2.92Å; V792-S795 PolarHBondContact O-N 2.78Å; V792-A796 HydrophobicContact CG1-CB 3.96Å; V792-A796 WeakPolarHBondContact O-CB 3.23Å; V792-A796 PolarHBondContact O-N 2.96Å |
| 793 | D | 87.6 | Confident | 88 | Confident | 3 Ų | 3 | 3.1 Ų | 3.1 | 2% | 0.016 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -45.3 | -60.8 | -176.3 | -172.4 | -46 | 0 | 0 | 0 | 111.6 | R342 T380 G789 F790 S795 A796 H797 | R342-D793 IonicContact NH2-OD2 3.85Å; R342-D793 PolarHBondContact NH2-OD2 3.06Å; T380-D793 HydrophobicContact CG2-CB 4.15Å; T380-D793 VanDerWaalsContact CG2-CG 3.45Å; T380-D793 WeakPolarHBondContact CG2-OD2 3.35Å; G789-D793 PolarHBondContact O-N 3.45Å; F790-D793 WeakPolarHBondContact O-CB 3.29Å; F790-D793 PolarHBondContact O-N 2.93Å; D793-S795 VanDerWaalsContact C-N 3.33Å; D793-S795 PolarHBondContact O-N 2.86Å; D793-A796 PolarHBondContact O-N 3.45Å; D793-H797 PolarHBondContact O-CD2 3.12Å; D793-H797 PolarHBondContact O-N 2.84Å; D793-H797 VanDerWaalsContact O-N 3.12Å; D793-H797 IonicContact OD1-CD2 3.17Å; D793-H797 PolarHBondContact OD1-CD2 3.1Å; D793-H797 IonicContact OD1-NE2 2.95Å; D793-H797 PolarHBondContact OD1-NE2 2.73Å |
| 794 | F | 90.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 5.4 Ų | 5.4 | 4% | 0.035 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | -178.4 | -51.8 | -38.7 | 0 | 0 | 0 | 112.7 | V792 V825 V858 L862 A865 | V792-F794 PolarHBondContact O-N 2.92Å; F794-V825 HydrophobicContact CB-CG1 3.86Å; F794-V825 HydrophobicContact CD1-CG1 3.87Å; F794-V825 HydrophobicContact CG-CG1 4.07Å; F794-V858 HydrophobicContact CE2-CG1 4.36Å; F794-V858 HydrophobicContact CZ-CG1 4.44Å; F794-L862 HydrophobicContact CD2-CD2 4.31Å; F794-L862 HydrophobicContact CD2-CG 4.44Å; F794-L862 HydrophobicContact CE2-CD2 4.44Å; F794-L862 HydrophobicContact CE2-CG 4.38Å; F794-L862 HydrophobicContact CG-CD2 4.35Å; F794-A865 HydrophobicContact CB-CB 3.56Å; F794-A865 WeakPolarHBondContact O-CB 3.39Å |
| 795 | S | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -73.3 | -40.4 | -176.5 | -63.5 | 0 | 0 | 0 | 0 | 112 | S791 V792 D793 A799 L869 | S791-S795 PolarHBondContact O-OG 2.86Å; V792-S795 PolarHBondContact O-N 2.78Å; D793-S795 VanDerWaalsContact C-N 3.33Å; D793-S795 PolarHBondContact O-N 2.86Å; S795-A799 VanDerWaalsContact O-CB 3.26Å; S795-A799 WeakPolarHBondContact O-CB 3.4Å; S795-A799 PolarHBondContact O-N 3.49Å; S795-L869 VanDerWaalsContact O-CD2 3.24Å; S795-L869 WeakPolarHBondContact O-CD2 3.37Å |
| 796 | A | 89.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 12.8 Ų | 12.8 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L379 V792 D793 A799 Y800 | L379-A796 HydrophobicContact CD2-CB 3.74Å; L379-A796 HydrophobicContact CG-CB 4.37Å; V792-A796 HydrophobicContact CG1-CB 3.96Å; V792-A796 WeakPolarHBondContact O-CB 3.23Å; V792-A796 PolarHBondContact O-N 2.96Å; D793-A796 PolarHBondContact O-N 3.45Å; A796-A799 PolarHBondContact O-N 3.32Å; A796-Y800 WeakPolarHBondContact O-CB 3.37Å; A796-Y800 PolarHBondContact O-N 2.83Å |
| 797 | H | 89.9 | Confident | 87.2 | Confident | 6 Ų | 6 | 13.9 Ų | 13.9 | 3% | 0.028 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.8 | -53.9 | 174.9 | -78.9 | -49.1 | 0 | 0 | 0 | 112.3 | L348 S376 T380 D793 A799 Y800 A801 L821 V825 | L348-H797 WeakPolarHBondContact CD2-CE1 3.45Å; S376-H797 PolarHBondContact OG-CE1 3.12Å; S376-H797 PolarHBondContact OG-ND1 3.44Å; T380-H797 VanDerWaalsContact CG2-NE2 3.3Å; T380-H797 WeakPolarHBondContact CG2-NE2 3.31Å; D793-H797 PolarHBondContact O-CD2 3.12Å; D793-H797 PolarHBondContact O-N 2.84Å; D793-H797 VanDerWaalsContact O-N 3.12Å; D793-H797 IonicContact OD1-CD2 3.17Å; D793-H797 PolarHBondContact OD1-CD2 3.1Å; D793-H797 IonicContact OD1-NE2 2.95Å; D793-H797 PolarHBondContact OD1-NE2 2.73Å; H797-A799 PolarHBondContact O-N 2.93Å; H797-Y800 PolarHBondContact O-N 3.35Å; H797-A801 PolarHBondContact O-N 3.38Å; H797-A801 VanDerWaalsContact O-N 3.1Å; H797-L821 HydrophobicContact CB-CD1 4.2Å; H797-L821 VanDerWaalsContact O-CD1 3.28Å; H797-L821 WeakPolarHBondContact O-CD1 3.42Å; H797-V825 HydrophobicContact CB-CG2 4.17Å |
| 798 | I | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | -179.1 | -58.3 | -56.4 | 0 | 0 | 0 | 111.1 | Y802 I814 L818 L821 V825 L869 | I798-Y802 WeakPolarHBondContact O-CB 3.31Å; I798-Y802 PolarHBondContact O-N 3.39Å; I798-I814 HydrophobicContact CG2-CD1 4.2Å; I798-L818 HydrophobicContact CD1-CD2 4.34Å; I798-L818 HydrophobicContact CG2-CD2 4.29Å; I798-L821 HydrophobicContact CD1-CB 3.74Å; I798-V825 HydrophobicContact CD1-CG2 4.34Å; I798-L869 HydrophobicContact CB-CD2 4.46Å |
| 799 | A | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V754 S795 A796 H797 Y802 S803 L869 | V754-A799 HydrophobicContact CG2-CB 3.29Å; S795-A799 VanDerWaalsContact O-CB 3.26Å; S795-A799 WeakPolarHBondContact O-CB 3.4Å; S795-A799 PolarHBondContact O-N 3.49Å; A796-A799 PolarHBondContact O-N 3.32Å; H797-A799 PolarHBondContact O-N 2.93Å; A799-Y802 PolarHBondContact O-N 2.99Å; A799-S803 VanDerWaalsContact O-CB 3.3Å; A799-S803 WeakPolarHBondContact O-CB 3.45Å; A799-S803 PolarHBondContact O-N 3.27Å; A799-L869 HydrophobicContact CB-CD2 4.37Å |
| 800 | Y | 88.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -50.1 | 177.9 | 178.2 | -114.5 | 0 | 0 | 0 | 110.9 | E5 R9 V375 A796 H797 Y802 S803 I804 | E5-Y800 HydrophobicContact CG-CE2 4.16Å; E5-Y800 PolarHBondContact OE1-OH 2.98Å; R9-Y800 VanDerWaalsContact CZ-OH 3.28Å; R9-Y800 PolarHBondContact NE-OH 2.94Å; R9-Y800 PolarHBondContact NH2-OH 3.08Å; V375-Y800 HydrophobicContact CB-CE1 4.26Å; V375-Y800 WeakPolarHBondContact CB-OH 3.37Å; V375-Y800 HydrophobicContact CG1-CE1 4.23Å; V375-Y800 HydrophobicContact CG1-CE2 3.79Å; V375-Y800 VanDerWaalsContact CG1-CZ 3.48Å; V375-Y800 VanDerWaalsContact CG1-OH 3.28Å; V375-Y800 WeakPolarHBondContact CG1-OH 3.48Å; A796-Y800 WeakPolarHBondContact O-CB 3.37Å; A796-Y800 PolarHBondContact O-N 2.83Å; H797-Y800 PolarHBondContact O-N 3.35Å; Y800-Y802 VanDerWaalsContact C-N 3.32Å; Y800-Y802 PolarHBondContact O-N 3.14Å; Y800-S803 WeakPolarHBondContact O-CA 3.39Å; Y800-S803 WeakPolarHBondContact O-CB 3.42Å; Y800-S803 PolarHBondContact O-N 3.01Å; Y800-S803 PolarHBondContact O-OG 3.46Å; Y800-I804 HydrophobicContact CD1-CD1 3.73Å; Y800-I804 HydrophobicContact CD2-CD1 3.88Å; Y800-I804 HydrophobicContact CD2-CG1 4.39Å; Y800-I804 HydrophobicContact CE1-CD1 3.26Å; Y800-I804 HydrophobicContact CE2-CD1 3.42Å; Y800-I804 VanDerWaalsContact CE2-CD1 3.42Å; Y800-I804 HydrophobicContact CE2-CG1 4.02Å; Y800-I804 HydrophobicContact CG-CD1 4.02Å; Y800-I804 PolarHBondContact O-N 3.33Å; Y800-I804 VanDerWaalsContact O-N 3.1Å; Y800-I804 WeakPolarHBondContact OH-CD1 3.4Å |
| 801 | A | 88.7 | Confident | 87.3 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H797 S803 Q805 A817 L821 | H797-A801 PolarHBondContact O-N 3.38Å; H797-A801 VanDerWaalsContact O-N 3.1Å; A801-S803 VanDerWaalsContact C-N 3.29Å; A801-S803 PolarHBondContact O-N 2.88Å; A801-Q805 PolarHBondContact O-N 3.2Å; A801-A817 HydrophobicContact CB-CB 3.84Å; A801-L821 HydrophobicContact CB-CD1 3.51Å; A801-L821 HydrophobicContact CB-CG 4.25Å |
| 802 | Y | 91.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 172 | 175.8 | -94.6 | 0 | 0 | 0 | 112.2 | I798 A799 Y800 R813 I814 L873 | I798-Y802 WeakPolarHBondContact O-CB 3.31Å; I798-Y802 PolarHBondContact O-N 3.39Å; A799-Y802 PolarHBondContact O-N 2.99Å; Y800-Y802 VanDerWaalsContact C-N 3.32Å; Y800-Y802 PolarHBondContact O-N 3.14Å; Y802-R813 HydrophobicContact CD2-CB 3.52Å; Y802-R813 HydrophobicContact CE2-CB 3.43Å; Y802-R813 VanDerWaalsContact CE2-CB 3.43Å; Y802-R813 HydrophobicContact CE2-CG 4.43Å; Y802-R813 HydrophobicContact CG-CB 4.43Å; Y802-I814 HydrophobicContact CD2-CB 4.06Å; Y802-I814 HydrophobicContact CD2-CD1 4.09Å; Y802-I814 HydrophobicContact CE2-CB 4.25Å; Y802-L873 HydrophobicContact CD1-CB 4.37Å; Y802-L873 HydrophobicContact CD1-CD1 4.07Å; Y802-L873 HydrophobicContact CD1-CD2 4.28Å; Y802-L873 HydrophobicContact CD1-CG 4.49Å; Y802-L873 HydrophobicContact CE1-CB 4.14Å; Y802-L873 HydrophobicContact CE1-CD2 4.32Å; Y802-L873 HydrophobicContact CE2-CB 4.46Å; Y802-L873 HydrophobicContact CG-CD1 4.09Å; Y802-L873 PolarHBondContact OH-O 2.9Å; Y802-L873 VanDerWaalsContact OH-O 3.12Å |
| 803 | S | 87.6 | Confident | 88 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -38.4 | -175.5 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | K747 A799 Y800 A801 | K747-S803 VanDerWaalsContact CE-O 3.32Å; K747-S803 WeakPolarHBondContact CE-O 3.45Å; K747-S803 PolarHBondContact NZ-O 3.38Å; A799-S803 VanDerWaalsContact O-CB 3.3Å; A799-S803 WeakPolarHBondContact O-CB 3.45Å; A799-S803 PolarHBondContact O-N 3.27Å; Y800-S803 WeakPolarHBondContact O-CA 3.39Å; Y800-S803 WeakPolarHBondContact O-CB 3.42Å; Y800-S803 PolarHBondContact O-N 3.01Å; Y800-S803 PolarHBondContact O-OG 3.46Å; A801-S803 VanDerWaalsContact C-N 3.29Å; A801-S803 PolarHBondContact O-N 2.88Å |
| 804 | I | 85.7 | Confident | 88.3 | Confident | 49 Ų | 49 | 32 Ų | 32 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -74.8 | -30.5 | -179.2 | -66 | 159.2 | 0 | 0 | 0 | 111.8 | Y800 T806 | Y800-I804 HydrophobicContact CD1-CD1 3.73Å; Y800-I804 HydrophobicContact CD2-CD1 3.88Å; Y800-I804 HydrophobicContact CD2-CG1 4.39Å; Y800-I804 HydrophobicContact CE1-CD1 3.26Å; Y800-I804 HydrophobicContact CE2-CD1 3.42Å; Y800-I804 VanDerWaalsContact CE2-CD1 3.42Å; Y800-I804 HydrophobicContact CE2-CG1 4.02Å; Y800-I804 HydrophobicContact CG-CD1 4.02Å; Y800-I804 PolarHBondContact O-N 3.33Å; Y800-I804 VanDerWaalsContact O-N 3.1Å; Y800-I804 WeakPolarHBondContact OH-CD1 3.4Å; I804-T806 PolarHBondContact O-N 3.4Å |
| 805 | Q | 86.8 | Confident | 88.4 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | trans | -64.7 | 127.8 | -177.3 | -172.4 | 50.5 | -76.1 | 0 | 0 | 111.5 | A801 A807 R813 Y816 | A801-Q805 PolarHBondContact O-N 3.2Å; Q805-A807 HydrophobicContact CG-CB 4.04Å; Q805-R813 HydrophobicContact CB-CB 4.24Å; Q805-R813 HydrophobicContact CB-CG 4.18Å; Q805-R813 HydrophobicContact CG-CB 4.21Å; Q805-R813 HydrophobicContact CG-CG 4.03Å; Q805-R813 WeakPolarHBondContact O-CD 3.41Å; Q805-R813 PolarHBondContact O-NE 3.06Å; Q805-Y816 HydrophobicContact CB-CD1 4.34Å; Q805-Y816 HydrophobicContact CG-CD1 4.18Å; Q805-Y816 HydrophobicContact CG-CG 4.29Å; Q805-Y816 VanDerWaalsContact NE2-CD1 3.35Å; Q805-Y816 VanDerWaalsContact NE2-CD2 3.34Å | ||
| 806 | T | 81.7 | Confident | 88.3 | Confident | 121 Ų | 121 | 39.9 Ų | 39.9 | 74% | 0.742 | 21% | 0.206 | S | C | * | . | trans | -91.7 | -6.4 | -174.7 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | I804 A808 | I804-T806 PolarHBondContact O-N 3.4Å; T806-A808 PolarHBondContact O-N 2.9Å | ||
| 807 | A | 82.9 | Confident | 88.5 | Confident | 24 Ų | 24 | 39.8 Ų | 39.8 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | trans | -47 | 140 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q805 K809 Q812 R813 | Q805-A807 HydrophobicContact CG-CB 4.04Å; A807-K809 PolarHBondContact O-N 3.21Å; A807-Q812 HydrophobicContact CB-CB 3.91Å; A807-R813 HydrophobicContact CB-CG 3.96Å; A807-R813 PolarHBondContact O-NE 3.22Å; A807-R813 PolarHBondContact O-NH2 3.36Å | ||
| 808 | A | 79.4 | Confident | 88.7 | Confident | 75 Ų | 75 | 39.5 Ų | 39.5 | 62% | 0.62 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -65.8 | -40.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | T806 | T806-A808 PolarHBondContact O-N 2.9Š|
| 809 | K | 86.2 | Confident | 88.6 | Confident | 135 Ų | 135 | 39.7 Ų | 39.7 | 59% | 0.587 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -89.8 | 130.9 | -177.3 | -65.3 | -177.6 | -178.9 | 178.1 | 0 | 111.1 | A807 I811 Q812 R813 | A807-K809 PolarHBondContact O-N 3.21Å; K809-I811 PolarHBondContact O-N 2.83Å; K809-Q812 HydrophobicContact CB-CB 4.43Å; K809-Q812 HydrophobicContact CB-CG 4.19Å; K809-Q812 WeakPolarHBondContact O-CB 3.4Å; K809-Q812 PolarHBondContact O-N 3.44Å; K809-R813 PolarHBondContact O-N 3.49Å |
| 810 | P | 87 | Confident | 88.4 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.1 | -39 | 174.6 | -27.8 | 34.2 | 0 | 0 | 0 | 113.6 | Q812 R813 I814 E878 E881 | P810-Q812 VanDerWaalsContact C-N 3.28Å; P810-Q812 PolarHBondContact O-N 2.91Å; P810-R813 WeakPolarHBondContact O-CB 3.33Å; P810-R813 PolarHBondContact O-N 2.9Å; P810-I814 PolarHBondContact O-N 3.07Å; P810-E878 HydrophobicContact CB-CG 4.46Å; P810-E878 HydrophobicContact CG-CG 4.23Å; P810-E881 HydrophobicContact CG-CG 4.33Å |
| 811 | I | 89.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 24% | 0.236 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -34.9 | 177.6 | -62.1 | 170.1 | 0 | 0 | 0 | 112 | M513 K809 I814 R815 E878 | M513-I811 HydrophobicContact CB-CG2 4.41Å; M513-I811 HydrophobicContact CG-CG2 4.24Å; K809-I811 PolarHBondContact O-N 2.83Å; I811-I814 VanDerWaalsContact O-CG2 3.28Å; I811-I814 WeakPolarHBondContact O-CG2 3.32Å; I811-R815 WeakPolarHBondContact O-CB 3.28Å; I811-R815 VanDerWaalsContact O-CG 3.23Å; I811-R815 WeakPolarHBondContact O-CG 3.48Å; I811-R815 PolarHBondContact O-N 3.36Å; I811-R815 VanDerWaalsContact O-N 3.13Å; I811-E878 WeakPolarHBondContact CD1-OE1 3.13Å |
| 812 | Q | 90.1 | Very high | 88.7 | Confident | 93 Ų | 93 | 41.4 Ų | 41.4 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.4 | -37 | 177.6 | -71.7 | 173.4 | -23.3 | 0 | 0 | 111.3 | A807 K809 P810 R815 Y816 | A807-Q812 HydrophobicContact CB-CB 3.91Å; K809-Q812 HydrophobicContact CB-CB 4.43Å; K809-Q812 HydrophobicContact CB-CG 4.19Å; K809-Q812 WeakPolarHBondContact O-CB 3.4Å; K809-Q812 PolarHBondContact O-N 3.44Å; P810-Q812 VanDerWaalsContact C-N 3.28Å; P810-Q812 PolarHBondContact O-N 2.91Å; Q812-R815 PolarHBondContact O-N 3.17Å; Q812-Y816 PolarHBondContact O-N 3.3Å; Q812-Y816 VanDerWaalsContact O-N 3.11Å |
| 813 | R | 91.8 | Very high | 88.8 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 174.8 | -62.9 | -176.8 | -176.4 | 158.4 | 5.8 | 111.5 | Y802 Q805 A807 K809 P810 Y816 A817 | Y802-R813 HydrophobicContact CD2-CB 3.52Å; Y802-R813 HydrophobicContact CE2-CB 3.43Å; Y802-R813 VanDerWaalsContact CE2-CB 3.43Å; Y802-R813 HydrophobicContact CE2-CG 4.43Å; Y802-R813 HydrophobicContact CG-CB 4.43Å; Q805-R813 HydrophobicContact CB-CB 4.24Å; Q805-R813 HydrophobicContact CB-CG 4.18Å; Q805-R813 HydrophobicContact CG-CB 4.21Å; Q805-R813 HydrophobicContact CG-CG 4.03Å; Q805-R813 WeakPolarHBondContact O-CD 3.41Å; Q805-R813 PolarHBondContact O-NE 3.06Å; A807-R813 HydrophobicContact CB-CG 3.96Å; A807-R813 PolarHBondContact O-NE 3.22Å; A807-R813 PolarHBondContact O-NH2 3.36Å; K809-R813 PolarHBondContact O-N 3.49Å; P810-R813 WeakPolarHBondContact O-CB 3.33Å; P810-R813 PolarHBondContact O-N 2.9Å; R813-Y816 PolarHBondContact O-N 3.32Å; R813-A817 PolarHBondContact O-N 2.68Å |
| 814 | I | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.1 | -34.7 | -179.6 | -162.1 | 60.3 | 0 | 0 | 0 | 112.4 | M513 I798 Y802 P810 I811 Y816 A817 L818 P870 T874 | M513-I814 HydrophobicContact CE-CG2 4.17Å; M513-I814 HydrophobicContact CG-CG2 4.31Å; M513-I814 HydrophobicContact SD-CG2 4.07Å; I798-I814 HydrophobicContact CG2-CD1 4.2Å; Y802-I814 HydrophobicContact CD2-CB 4.06Å; Y802-I814 HydrophobicContact CD2-CD1 4.09Å; Y802-I814 HydrophobicContact CE2-CB 4.25Å; P810-I814 PolarHBondContact O-N 3.07Å; I811-I814 VanDerWaalsContact O-CG2 3.28Å; I811-I814 WeakPolarHBondContact O-CG2 3.32Å; I814-Y816 VanDerWaalsContact C-N 3.3Å; I814-Y816 PolarHBondContact O-N 3.3Å; I814-A817 PolarHBondContact O-N 2.83Å; I814-L818 HydrophobicContact CD1-CD1 4.49Å; I814-L818 HydrophobicContact CD1-CG 4.3Å; I814-L818 HydrophobicContact CG1-CD1 3.93Å; I814-L818 HydrophobicContact CG1-CG 4.2Å; I814-L818 WeakPolarHBondContact O-CB 3.39Å; I814-L818 WeakPolarHBondContact O-CG 3.48Å; I814-L818 PolarHBondContact O-N 2.93Å; I814-P870 HydrophobicContact CD1-CB 3.88Å; I814-P870 HydrophobicContact CD1-CG 4.23Å; I814-P870 HydrophobicContact CG1-CB 3.8Å; I814-T874 HydrophobicContact CB-CG2 3.8Å; I814-T874 HydrophobicContact CG1-CG2 4.22Å; I814-T874 HydrophobicContact CG2-CG2 3.44Å; I814-T874 VanDerWaalsContact CG2-CG2 3.44Å |
| 815 | R | 92.8 | Very high | 89.3 | Confident | 82 Ų | 82 | 42.8 Ų | 42.8 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.5 | -83 | 175.6 | 168 | 159.6 | -2.3 | 111.7 | S505 A509 T510 I811 Q812 G819 | S505-R815 WeakPolarHBondContact CA-O 3.46Å; S505-R815 VanDerWaalsContact CB-O 3.31Å; S505-R815 WeakPolarHBondContact CB-O 3.14Å; S505-R815 WeakPolarHBondContact O-CG 3.36Å; A509-R815 HydrophobicContact CB-CB 4.33Å; A509-R815 HydrophobicContact CB-CG 3.6Å; T510-R815 PolarHBondContact OG1-NH2 3.17Å; I811-R815 WeakPolarHBondContact O-CB 3.28Å; I811-R815 VanDerWaalsContact O-CG 3.23Å; I811-R815 WeakPolarHBondContact O-CG 3.48Å; I811-R815 PolarHBondContact O-N 3.36Å; I811-R815 VanDerWaalsContact O-N 3.13Å; Q812-R815 PolarHBondContact O-N 3.17Å; R815-G819 PolarHBondContact O-N 3.45Å |
| 816 | Y | 90.2 | Very high | 89.6 | Confident | 91 Ų | 91 | 42.5 Ų | 42.5 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -48.8 | 175.7 | -177.8 | -91.9 | 0 | 0 | 0 | 111.5 | Q805 Q812 R813 I814 L818 G819 Q820 | Q805-Y816 HydrophobicContact CB-CD1 4.34Å; Q805-Y816 HydrophobicContact CG-CD1 4.18Å; Q805-Y816 HydrophobicContact CG-CG 4.29Å; Q805-Y816 VanDerWaalsContact NE2-CD1 3.35Å; Q805-Y816 VanDerWaalsContact NE2-CD2 3.34Å; Q812-Y816 PolarHBondContact O-N 3.3Å; Q812-Y816 VanDerWaalsContact O-N 3.11Å; R813-Y816 PolarHBondContact O-N 3.32Å; I814-Y816 VanDerWaalsContact C-N 3.3Å; I814-Y816 PolarHBondContact O-N 3.3Å; Y816-L818 PolarHBondContact O-N 3.41Å; Y816-G819 PolarHBondContact O-N 3.36Å; Y816-Q820 HydrophobicContact CE1-CG 4.5Å; Y816-Q820 VanDerWaalsContact CE1-OE1 3.31Å; Y816-Q820 VanDerWaalsContact CZ-CD 3.41Å; Y816-Q820 PolarHBondContact O-N 3.2Å; Y816-Q820 PolarHBondContact OH-NE2 3.42Å; Y816-Q820 PolarHBondContact OH-OE1 3.15Å |
| 817 | A | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A801 R813 I814 L821 | A801-A817 HydrophobicContact CB-CB 3.84Å; R813-A817 PolarHBondContact O-N 2.68Å; I814-A817 PolarHBondContact O-N 2.83Å; A817-L821 PolarHBondContact O-N 2.99Å |
| 818 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | 175.8 | -70.2 | 172.5 | 0 | 0 | 0 | 112 | F504 Y508 A509 I512 I798 I814 Y816 Q820 A822 L866 P870 | F504-L818 WeakPolarHBondContact CB-O 3.24Å; Y508-L818 HydrophobicContact CD1-CD1 4.33Å; Y508-L818 HydrophobicContact CE1-CD1 4.21Å; A509-L818 HydrophobicContact CB-CD1 4.14Å; I512-L818 HydrophobicContact CD1-CD1 3.52Å; I798-L818 HydrophobicContact CD1-CD2 4.34Å; I798-L818 HydrophobicContact CG2-CD2 4.29Å; I814-L818 HydrophobicContact CD1-CD1 4.49Å; I814-L818 HydrophobicContact CD1-CG 4.3Å; I814-L818 HydrophobicContact CG1-CD1 3.93Å; I814-L818 HydrophobicContact CG1-CG 4.2Å; I814-L818 WeakPolarHBondContact O-CB 3.39Å; I814-L818 WeakPolarHBondContact O-CG 3.48Å; I814-L818 PolarHBondContact O-N 2.93Å; Y816-L818 PolarHBondContact O-N 3.41Å; L818-Q820 VanDerWaalsContact C-N 3.29Å; L818-Q820 PolarHBondContact O-N 3.36Å; L818-A822 HydrophobicContact CB-CB 4.41Å; L818-A822 HydrophobicContact CD2-CB 4.2Å; L818-A822 WeakPolarHBondContact O-CB 3.17Å; L818-A822 PolarHBondContact O-N 3.02Å; L818-L866 HydrophobicContact CD2-CD2 4.41Å; L818-P870 HydrophobicContact CD1-CB 4.37Å; L818-P870 HydrophobicContact CD1-CG 4.36Å; L818-P870 HydrophobicContact CD2-CG 4.14Å |
| 819 | G | 90 | Very high | 91.2 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.9 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N501 R815 Y816 | N501-G819 VanDerWaalsContact CA-O 3.26Å; N501-G819 WeakPolarHBondContact CA-O 3.17Å; N501-G819 PolarHBondContact OD1-O 3.34Å; R815-G819 PolarHBondContact O-N 3.45Å; Y816-G819 PolarHBondContact O-N 3.36Å |
| 820 | Q | 86.3 | Confident | 91.6 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 15% | 0.154 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -83.3 | -42.4 | -178.8 | -72.4 | -170.3 | -16.9 | 0 | 0 | 113.6 | Y816 L818 | Y816-Q820 HydrophobicContact CE1-CG 4.5Å; Y816-Q820 VanDerWaalsContact CE1-OE1 3.31Å; Y816-Q820 VanDerWaalsContact CZ-CD 3.41Å; Y816-Q820 PolarHBondContact O-N 3.2Å; Y816-Q820 PolarHBondContact OH-NE2 3.42Å; Y816-Q820 PolarHBondContact OH-OE1 3.15Å; L818-Q820 VanDerWaalsContact C-N 3.29Å; L818-Q820 PolarHBondContact O-N 3.36Å |
| 821 | L | 91.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 28.7 Ų | 28.7 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -111.6 | -13.1 | -164.4 | -63.7 | -171.3 | 0 | 0 | 0 | 115.5 | L348 H797 I798 A801 A817 W823 P824 V825 | L348-L821 HydrophobicContact CD1-CD2 3.46Å; L348-L821 VanDerWaalsContact CD1-CD2 3.46Å; H797-L821 HydrophobicContact CB-CD1 4.2Å; H797-L821 VanDerWaalsContact O-CD1 3.28Å; H797-L821 WeakPolarHBondContact O-CD1 3.42Å; I798-L821 HydrophobicContact CD1-CB 3.74Å; A801-L821 HydrophobicContact CB-CD1 3.51Å; A801-L821 HydrophobicContact CB-CG 4.25Å; A817-L821 PolarHBondContact O-N 2.99Å; L821-W823 VanDerWaalsContact C-N 3.31Å; L821-W823 PolarHBondContact O-N 3.38Å; L821-P824 WeakPolarHBondContact O-CD 3.41Å; L821-V825 WeakPolarHBondContact O-CB 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.3Å; L821-V825 PolarHBondContact O-N 3.08Å; L821-V825 VanDerWaalsContact O-N 3.11Å |
| 822 | A | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F504 L818 I826 L866 | F504-A822 HydrophobicContact CB-CB 4.21Å; F504-A822 HydrophobicContact CD1-CB 3.54Å; F504-A822 HydrophobicContact CD2-CB 4.12Å; F504-A822 HydrophobicContact CE1-CB 3.89Å; F504-A822 HydrophobicContact CE2-CB 4.44Å; F504-A822 HydrophobicContact CG-CB 3.69Å; F504-A822 HydrophobicContact CZ-CB 4.35Å; L818-A822 HydrophobicContact CB-CB 4.41Å; L818-A822 HydrophobicContact CD2-CB 4.2Å; L818-A822 WeakPolarHBondContact O-CB 3.17Å; L818-A822 PolarHBondContact O-N 3.02Å; A822-I826 WeakPolarHBondContact O-CD1 3.33Å; A822-I826 VanDerWaalsContact O-CG1 3.23Å; A822-I826 WeakPolarHBondContact O-CG1 3.45Å; A822-I826 PolarHBondContact O-N 3.41Å; A822-L866 HydrophobicContact CB-CD2 3.8Å |
| 823 | W | 92.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 24.1 Ų | 24.1 | 28% | 0.28 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -68.6 | -50.4 | 179.9 | 179 | -112.2 | 0 | 0 | 0 | 113.1 | F500 F504 L821 V825 I826 Q827 | F500-W823 HydrophobicContact CB-CB 4Å; F500-W823 HydrophobicContact CB-CD2 4.31Å; F500-W823 HydrophobicContact CB-CG 3.89Å; F500-W823 AromaticContact CD1-CD2 3.78Å; F500-W823 HydrophobicContact CD1-CD2 3.78Å; F500-W823 AromaticContact CD1-CE3 3.74Å; F500-W823 HydrophobicContact CD1-CE3 3.74Å; F500-W823 HydrophobicContact CD1-CG 4.25Å; F500-W823 HydrophobicContact CD1-CZ3 4.13Å; F500-W823 HydrophobicContact CD2-CD2 4.01Å; F500-W823 AromaticContact CD2-CE2 3.76Å; F500-W823 HydrophobicContact CD2-CG 4.15Å; F500-W823 HydrophobicContact CD2-CZ2 4.28Å; F500-W823 AromaticContact CD2-NE1 3.74Å; F500-W823 HydrophobicContact CE1-CD2 4.02Å; F500-W823 AromaticContact CE1-CE3 3.8Å; F500-W823 HydrophobicContact CE1-CE3 3.8Å; F500-W823 AromaticContact CE1-CH2 3.81Å; F500-W823 HydrophobicContact CE1-CH2 3.81Å; F500-W823 HydrophobicContact CE1-CZ2 4.04Å; F500-W823 AromaticContact CE1-CZ3 3.69Å; F500-W823 HydrophobicContact CE1-CZ3 3.69Å; F500-W823 HydrophobicContact CE2-CD2 4.24Å; F500-W823 AromaticContact CE2-CE2 3.67Å; F500-W823 HydrophobicContact CE2-CH2 4.29Å; F500-W823 AromaticContact CE2-CZ2 3.71Å; F500-W823 HydrophobicContact CE2-CZ2 3.71Å; F500-W823 AromaticContact CE2-NE1 3.95Å; F500-W823 HydrophobicContact CG-CB 4.42Å; F500-W823 AromaticContact CG-CD2 3.77Å; F500-W823 HydrophobicContact CG-CD2 3.77Å; F500-W823 HydrophobicContact CG-CE3 4.23Å; F500-W823 AromaticContact CG-CG 3.84Å; F500-W823 HydrophobicContact CG-CG 3.84Å; F500-W823 HydrophobicContact CZ-CD2 4.25Å; F500-W823 AromaticContact CZ-CE2 3.86Å; F500-W823 HydrophobicContact CZ-CE3 4.33Å; F500-W823 AromaticContact CZ-CH2 3.67Å; F500-W823 HydrophobicContact CZ-CH2 3.67Å; F500-W823 AromaticContact CZ-CZ2 3.57Å; F500-W823 HydrophobicContact CZ-CZ2 3.57Å; F500-W823 HydrophobicContact CZ-CZ3 4.06Å; F504-W823 HydrophobicContact CD2-CB 4.13Å; F504-W823 HydrophobicContact CE2-CB 3.85Å; F504-W823 HydrophobicContact CE2-CE3 4.11Å; L821-W823 VanDerWaalsContact C-N 3.31Å; L821-W823 PolarHBondContact O-N 3.38Å; W823-V825 VanDerWaalsContact C-N 3.29Å; W823-V825 PolarHBondContact O-N 2.76Å; W823-I826 HydrophobicContact CE3-CG2 4.49Å; W823-I826 HydrophobicContact CZ3-CG2 4.31Å; W823-I826 PolarHBondContact O-N 3.42Å; W823-I826 VanDerWaalsContact O-N 3.15Å; W823-Q827 HydrophobicContact CD2-CG 4.13Å; W823-Q827 HydrophobicContact CH2-CG 4.43Å; W823-Q827 HydrophobicContact CZ2-CG 3.88Å; W823-Q827 WeakPolarHBondContact O-CG 3.38Å; W823-Q827 PolarHBondContact O-N 2.81Å |
| 824 | P | 91.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 6% | 0.058 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.9 | -40.7 | 173 | -28.4 | 35.6 | 0 | 0 | 0 | 113.8 | F347 A351 L821 I826 Q827 G828 | F347-P824 HydrophobicContact CB-CB 4.45Å; A351-P824 HydrophobicContact CB-CB 4.45Å; A351-P824 HydrophobicContact CB-CG 3.43Å; A351-P824 VanDerWaalsContact CB-CG 3.43Å; L821-P824 WeakPolarHBondContact O-CD 3.41Å; P824-I826 PolarHBondContact O-N 2.98Å; P824-Q827 PolarHBondContact O-N 3.49Å; P824-G828 PolarHBondContact O-N 3.31Å |
| 825 | V | 93 | Very high | 92.2 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 5% | 0.048 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.8 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | F794 H797 I798 L821 W823 G828 G829 L862 L866 | F794-V825 HydrophobicContact CB-CG1 3.86Å; F794-V825 HydrophobicContact CD1-CG1 3.87Å; F794-V825 HydrophobicContact CG-CG1 4.07Å; H797-V825 HydrophobicContact CB-CG2 4.17Å; I798-V825 HydrophobicContact CD1-CG2 4.34Å; L821-V825 WeakPolarHBondContact O-CB 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.3Å; L821-V825 PolarHBondContact O-N 3.08Å; L821-V825 VanDerWaalsContact O-N 3.11Å; W823-V825 VanDerWaalsContact C-N 3.29Å; W823-V825 PolarHBondContact O-N 2.76Å; V825-G828 PolarHBondContact O-N 3.04Å; V825-G829 PolarHBondContact O-N 3.4Å; V825-L862 HydrophobicContact CG1-CD2 3.71Å; V825-L866 HydrophobicContact CG1-CD2 4.46Å |
| 826 | I | 94.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 20.2 Ų | 20.2 | 17% | 0.174 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 174.4 | -69.7 | 165.3 | 0 | 0 | 0 | 111 | F504 A822 W823 P824 G829 I830 L866 | F504-I826 HydrophobicContact CE1-CD1 3.91Å; F504-I826 HydrophobicContact CE2-CD1 4.38Å; F504-I826 HydrophobicContact CZ-CD1 3.45Å; F504-I826 VanDerWaalsContact CZ-CD1 3.45Å; A822-I826 WeakPolarHBondContact O-CD1 3.33Å; A822-I826 VanDerWaalsContact O-CG1 3.23Å; A822-I826 WeakPolarHBondContact O-CG1 3.45Å; A822-I826 PolarHBondContact O-N 3.41Å; W823-I826 HydrophobicContact CE3-CG2 4.49Å; W823-I826 HydrophobicContact CZ3-CG2 4.31Å; W823-I826 PolarHBondContact O-N 3.42Å; W823-I826 VanDerWaalsContact O-N 3.15Å; P824-I826 PolarHBondContact O-N 2.98Å; I826-G829 PolarHBondContact O-N 3.15Å; I826-I830 HydrophobicContact CG2-CD1 3.64Å; I826-I830 HydrophobicContact CG2-CG1 4.27Å; I826-I830 WeakPolarHBondContact O-CB 3.45Å; I826-I830 VanDerWaalsContact O-CG1 3.28Å; I826-I830 WeakPolarHBondContact O-CG1 2.83Å; I826-I830 PolarHBondContact O-N 3.36Å; I826-L866 HydrophobicContact CD1-CD1 3.85Å; I826-L866 HydrophobicContact CG1-CD1 3.53Å |
| 827 | Q | 92 | Very high | 92.1 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.5 | -70.9 | 178.7 | -53.8 | 0 | 0 | 111.8 | S279 F347 W823 P824 I830 S831 | S279-Q827 VanDerWaalsContact CB-NE2 3.33Å; S279-Q827 PolarHBondContact O-NE2 2.84Å; S279-Q827 VanDerWaalsContact O-NE2 3.11Å; F347-Q827 HydrophobicContact CB-CB 4.49Å; F347-Q827 HydrophobicContact CD2-CB 3.65Å; F347-Q827 HydrophobicContact CE2-CB 3.98Å; F347-Q827 HydrophobicContact CG-CB 4.08Å; W823-Q827 HydrophobicContact CD2-CG 4.13Å; W823-Q827 HydrophobicContact CH2-CG 4.43Å; W823-Q827 HydrophobicContact CZ2-CG 3.88Å; W823-Q827 WeakPolarHBondContact O-CG 3.38Å; W823-Q827 PolarHBondContact O-N 2.81Å; P824-Q827 PolarHBondContact O-N 3.49Å; Q827-I830 PolarHBondContact O-N 3.13Å; Q827-S831 PolarHBondContact O-N 3.28Å; Q827-S831 PolarHBondContact O-OG 2.81Å |
| 828 | G | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P824 V825 S831 T832 | P824-G828 PolarHBondContact O-N 3.31Å; V825-G828 PolarHBondContact O-N 3.04Å; G828-S831 WeakPolarHBondContact CA-OG 3.39Å; G828-S831 PolarHBondContact O-N 3.04Å; G828-S831 PolarHBondContact O-OG 3.03Å; G828-T832 PolarHBondContact O-N 3.33Å; G828-T832 VanDerWaalsContact O-N 3.08Å; G828-T832 PolarHBondContact O-OG1 3.43Å |
| 829 | G | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V825 I826 T832 L833 V858 | V825-G829 PolarHBondContact O-N 3.4Å; I826-G829 PolarHBondContact O-N 3.15Å; G829-T832 PolarHBondContact O-N 3.17Å; G829-L833 WeakPolarHBondContact O-CG 3.44Å; G829-L833 PolarHBondContact O-N 2.88Å; G829-V858 WeakPolarHBondContact O-CG1 3.48Å |
| 830 | I | 94.5 | Very high | 91.6 | Very high | 63 Ų | 63 | 23.2 Ų | 23.2 | 32% | 0.323 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.3 | -67.4 | 169.1 | 0 | 0 | 0 | 111 | F275 I826 Q827 T832 L833 L834 | F275-I830 HydrophobicContact CD2-CG2 4.28Å; F275-I830 HydrophobicContact CE1-CG2 4.36Å; F275-I830 HydrophobicContact CE2-CB 4.27Å; F275-I830 HydrophobicContact CE2-CG2 3.48Å; F275-I830 VanDerWaalsContact CE2-CG2 3.48Å; F275-I830 HydrophobicContact CZ-CB 3.84Å; F275-I830 HydrophobicContact CZ-CG2 3.53Å; I826-I830 HydrophobicContact CG2-CD1 3.64Å; I826-I830 HydrophobicContact CG2-CG1 4.27Å; I826-I830 WeakPolarHBondContact O-CB 3.45Å; I826-I830 VanDerWaalsContact O-CG1 3.28Å; I826-I830 WeakPolarHBondContact O-CG1 2.83Å; I826-I830 PolarHBondContact O-N 3.36Å; Q827-I830 PolarHBondContact O-N 3.13Å; I830-T832 VanDerWaalsContact C-N 3.3Å; I830-T832 PolarHBondContact O-N 3.13Å; I830-L833 PolarHBondContact O-N 2.96Å; I830-L834 HydrophobicContact CG2-CD1 3.85Å; I830-L834 HydrophobicContact CG2-CG 4.1Å; I830-L834 WeakPolarHBondContact O-CB 3.47Å; I830-L834 VanDerWaalsContact O-CG 3.28Å; I830-L834 WeakPolarHBondContact O-CG 3.41Å; I830-L834 PolarHBondContact O-N 3.37Å |
| 831 | S | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.8 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | L272 S340 Q827 G828 L834 G835 | L272-S831 WeakPolarHBondContact CD2-O 3.35Å; S340-S831 PolarHBondContact O-OG 3.4Å; Q827-S831 PolarHBondContact O-N 3.28Å; Q827-S831 PolarHBondContact O-OG 2.81Å; G828-S831 WeakPolarHBondContact CA-OG 3.39Å; G828-S831 PolarHBondContact O-N 3.04Å; G828-S831 PolarHBondContact O-OG 3.03Å; S831-L834 PolarHBondContact O-N 3.16Å; S831-G835 PolarHBondContact O-N 3.42Å |
| 832 | T | 92.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | V341 G828 G829 I830 L834 G835 V836 V854 V858 | V341-T832 HydrophobicContact CG2-CG2 3.82Å; G828-T832 PolarHBondContact O-N 3.33Å; G828-T832 VanDerWaalsContact O-N 3.08Å; G828-T832 PolarHBondContact O-OG1 3.43Å; G829-T832 PolarHBondContact O-N 3.17Å; I830-T832 VanDerWaalsContact C-N 3.3Å; I830-T832 PolarHBondContact O-N 3.13Å; T832-L834 PolarHBondContact O-N 3.46Å; T832-G835 PolarHBondContact O-N 3.21Å; T832-V836 WeakPolarHBondContact O-CG2 3.32Å; T832-V836 PolarHBondContact O-N 3.43Å; T832-V836 VanDerWaalsContact O-N 3.13Å; T832-V854 HydrophobicContact CG2-CG1 4.25Å; T832-V858 HydrophobicContact CG2-CG2 3.61Å |
| 833 | L | 94 | Very high | 90.7 | Very high | 40 Ų | 40 | 28.6 Ų | 28.6 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.4 | -70.1 | 179.7 | 0 | 0 | 0 | 112.7 | G829 I830 G835 V836 L837 F855 V858 | G829-L833 WeakPolarHBondContact O-CG 3.44Å; G829-L833 PolarHBondContact O-N 2.88Å; I830-L833 PolarHBondContact O-N 2.96Å; L833-G835 VanDerWaalsContact C-N 3.34Å; L833-V836 WeakPolarHBondContact O-CG2 3.45Å; L833-V836 PolarHBondContact O-N 3.36Å; L833-L837 VanDerWaalsContact O-CB 3.3Å; L833-L837 WeakPolarHBondContact O-CB 3.1Å; L833-L837 PolarHBondContact O-N 3.03Å; L833-F855 HydrophobicContact CD2-CB 4.44Å; L833-F855 HydrophobicContact CD2-CD2 3.7Å; L833-F855 HydrophobicContact CD2-CE2 4.33Å; L833-F855 HydrophobicContact CD2-CG 4.37Å; L833-V858 HydrophobicContact CD1-CG1 4.25Å; L833-V858 HydrophobicContact CD2-CB 3.92Å; L833-V858 HydrophobicContact CD2-CG1 4.06Å; L833-V858 HydrophobicContact CD2-CG2 4.38Å; L833-V858 HydrophobicContact CG-CB 4.25Å; L833-V858 HydrophobicContact CG-CG1 3.83Å |
| 834 | L | 93.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 19% | 0.188 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 176.2 | -71.7 | 174 | 0 | 0 | 0 | 111.8 | L271 F275 I830 S831 T832 L837 | L271-L834 HydrophobicContact CD2-CB 4.11Å; L271-L834 HydrophobicContact CD2-CD2 4.19Å; L271-L834 HydrophobicContact CG-CB 4.44Å; F275-L834 HydrophobicContact CB-CD1 3.77Å; F275-L834 HydrophobicContact CD1-CD1 4.05Å; F275-L834 HydrophobicContact CD2-CD1 3.49Å; F275-L834 VanDerWaalsContact CD2-CD1 3.49Å; F275-L834 HydrophobicContact CE2-CD1 4.08Å; F275-L834 HydrophobicContact CG-CD1 3.47Å; F275-L834 VanDerWaalsContact CG-CD1 3.47Å; I830-L834 HydrophobicContact CG2-CD1 3.85Å; I830-L834 HydrophobicContact CG2-CG 4.1Å; I830-L834 WeakPolarHBondContact O-CB 3.47Å; I830-L834 VanDerWaalsContact O-CG 3.28Å; I830-L834 WeakPolarHBondContact O-CG 3.41Å; I830-L834 PolarHBondContact O-N 3.37Å; S831-L834 PolarHBondContact O-N 3.16Å; T832-L834 PolarHBondContact O-N 3.46Å; L834-L837 HydrophobicContact CD2-CD2 4.38Å; L834-L837 PolarHBondContact O-N 3.4Å |
| 835 | G | 90.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S831 T832 L833 | S831-G835 PolarHBondContact O-N 3.42Å; T832-G835 PolarHBondContact O-N 3.21Å; L833-G835 VanDerWaalsContact C-N 3.34Å |
| 836 | V | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -85.8 | -16.8 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 114.3 | L337 T832 L833 L838 L839 F851 V854 | L337-V836 HydrophobicContact CD1-CG1 4.34Å; T832-V836 WeakPolarHBondContact O-CG2 3.32Å; T832-V836 PolarHBondContact O-N 3.43Å; T832-V836 VanDerWaalsContact O-N 3.13Å; L833-V836 WeakPolarHBondContact O-CG2 3.45Å; L833-V836 PolarHBondContact O-N 3.36Å; V836-L838 PolarHBondContact O-N 2.68Å; V836-L838 VanDerWaalsContact O-N 3.14Å; V836-L839 HydrophobicContact CB-CD1 4.28Å; V836-L839 HydrophobicContact CG1-CD1 4.36Å; V836-L839 WeakPolarHBondContact O-CA 3.3Å; V836-L839 WeakPolarHBondContact O-CB 3.48Å; V836-L839 WeakPolarHBondContact O-CG 3.45Å; V836-L839 PolarHBondContact O-N 2.84Å; V836-F851 HydrophobicContact CB-CD2 4.16Å; V836-F851 HydrophobicContact CG2-CD2 3.93Å; V836-F851 HydrophobicContact CG2-CE2 4.19Å; V836-F851 VanDerWaalsContact O-CD2 3.26Å; V836-F851 WeakPolarHBondContact O-CD2 3.39Å; V836-V854 HydrophobicContact CB-CG1 4.44Å; V836-V854 HydrophobicContact CG1-CB 4.2Å; V836-V854 HydrophobicContact CG1-CG1 3.77Å; V836-V854 HydrophobicContact CG1-CG2 4.26Å; V836-V854 HydrophobicContact CG2-CB 4.39Å; V836-V854 HydrophobicContact CG2-CG1 4.02Å |
| 837 | L | 91.4 | Very high | 89.4 | Confident | 91 Ų | 91 | 24.8 Ų | 24.8 | 48% | 0.476 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -55.7 | -34.8 | -179.7 | -178.3 | 63.3 | 0 | 0 | 0 | 112.3 | L833 L834 L839 A840 | L833-L837 VanDerWaalsContact O-CB 3.3Å; L833-L837 WeakPolarHBondContact O-CB 3.1Å; L833-L837 PolarHBondContact O-N 3.03Å; L834-L837 HydrophobicContact CD2-CD2 4.38Å; L834-L837 PolarHBondContact O-N 3.4Å; L837-L839 PolarHBondContact O-N 3.17Å; L837-A840 VanDerWaalsContact O-CB 3.26Å; L837-A840 WeakPolarHBondContact O-CB 3.48Å; L837-A840 PolarHBondContact O-N 3.28Å; L837-A840 VanDerWaalsContact O-N 3.09Å |
| 838 | L | 88.1 | Confident | 89.3 | Confident | 33 Ų | 33 | 28 Ų | 28 | 17% | 0.173 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.8 | 178.3 | -65.2 | 174.2 | 0 | 0 | 0 | 113.8 | P267 C268 V836 | P267-L838 HydrophobicContact CB-CD1 4.02Å; C268-L838 HydrophobicContact CB-CD1 3.54Å; V836-L838 PolarHBondContact O-N 2.68Å; V836-L838 VanDerWaalsContact O-N 3.14Å |
| 839 | L | 88.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.9 | 174.2 | -50.7 | -178.5 | 0 | 0 | 0 | 112.4 | L261 I333 F336 V836 L837 D841 L842 I847 F850 F851 | L261-L839 HydrophobicContact CD1-CD2 3.28Å; I333-L839 HydrophobicContact CG2-CD1 4.23Å; F336-L839 HydrophobicContact CD1-CD2 4.31Å; F336-L839 HydrophobicContact CE1-CD2 4.43Å; V836-L839 HydrophobicContact CB-CD1 4.28Å; V836-L839 HydrophobicContact CG1-CD1 4.36Å; V836-L839 WeakPolarHBondContact O-CA 3.3Å; V836-L839 WeakPolarHBondContact O-CB 3.48Å; V836-L839 WeakPolarHBondContact O-CG 3.45Å; V836-L839 PolarHBondContact O-N 2.84Å; L837-L839 PolarHBondContact O-N 3.17Å; L839-D841 VanDerWaalsContact C-N 3.34Å; L839-D841 PolarHBondContact O-N 3.37Å; L839-L842 HydrophobicContact CD2-CD1 4.13Å; L839-L842 WeakPolarHBondContact O-CB 3.06Å; L839-L842 PolarHBondContact O-N 2.86Å; L839-I847 HydrophobicContact CB-CG2 3.8Å; L839-I847 HydrophobicContact CD2-CG2 4.33Å; L839-F850 HydrophobicContact CD1-CD1 3.89Å; L839-F850 HydrophobicContact CD1-CE1 4.27Å; L839-F851 HydrophobicContact CB-CB 4.25Å |
| 840 | A | 87.8 | Confident | 88.9 | Confident | 33 Ų | 33 | 28.2 Ų | 28.2 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L837 L842 F851 | L837-A840 VanDerWaalsContact O-CB 3.26Å; L837-A840 WeakPolarHBondContact O-CB 3.48Å; L837-A840 PolarHBondContact O-N 3.28Å; L837-A840 VanDerWaalsContact O-N 3.09Å; A840-L842 VanDerWaalsContact C-N 3.33Å; A840-F851 HydrophobicContact CB-CD1 3.73Å; A840-F851 HydrophobicContact CB-CD2 4Å; A840-F851 HydrophobicContact CB-CE1 3.61Å; A840-F851 HydrophobicContact CB-CE2 3.89Å; A840-F851 HydrophobicContact CB-CG 3.92Å; A840-F851 HydrophobicContact CB-CZ 3.69Å |
| 841 | D | 87 | Confident | 88.8 | Confident | 121 Ų | 121 | 26.8 Ų | 26.8 | 65% | 0.647 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.7 | -178.4 | -172.6 | 44.2 | 0 | 0 | 0 | 112.9 | R264 L839 G843 | R264-D841 IonicContact NH2-OD2 2.68Å; L839-D841 VanDerWaalsContact C-N 3.34Å; L839-D841 PolarHBondContact O-N 3.37Å; D841-G843 PolarHBondContact O-N 3.42Å |
| 842 | L | 83.9 | Confident | 88.8 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | trans | -71.4 | 130.5 | -175.9 | -67.7 | -175.5 | 0 | 0 | 0 | 111.2 | V260 L261 R264 L839 A840 S844 I847 K848 | V260-L842 HydrophobicContact CG1-CD1 4.5Å; V260-L842 HydrophobicContact CG1-CD2 3.54Å; L261-L842 HydrophobicContact CD1-CD1 4.01Å; R264-L842 HydrophobicContact CG-CD2 4.38Å; L839-L842 HydrophobicContact CD2-CD1 4.13Å; L839-L842 WeakPolarHBondContact O-CB 3.06Å; L839-L842 PolarHBondContact O-N 2.86Å; A840-L842 VanDerWaalsContact C-N 3.33Å; L842-S844 PolarHBondContact O-N 2.97Å; L842-I847 HydrophobicContact CB-CB 4.29Å; L842-I847 HydrophobicContact CB-CD1 4.2Å; L842-I847 HydrophobicContact CB-CG2 3.8Å; L842-I847 HydrophobicContact CD1-CD1 3.92Å; L842-I847 HydrophobicContact CD1-CG2 3.79Å; L842-I847 HydrophobicContact CG-CG2 4.31Å; L842-K848 WeakPolarHBondContact O-CE 3.14Å; L842-K848 WeakPolarHBondContact O-CG 3.38Å | ||
| 843 | G | 81.8 | Confident | 88.8 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 40% | 0.402 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -75.2 | 54.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | P550 F551 D841 | P550-G843 CarbonylContact C-O 3.43Å; P550-G843 VanDerWaalsContact CA-O 3.27Å; P550-G843 WeakPolarHBondContact CA-O 3.49Å; F551-G843 WeakPolarHBondContact CD2-O 3.27Å; F551-G843 PolarHBondContact N-O 3.02Å; D841-G843 PolarHBondContact O-N 3.42Å |
| 844 | S | 85 | Confident | 88.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -146.2 | 135.9 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | N257 L842 I847 K848 | N257-S844 WeakPolarHBondContact OD1-CB 3.4Å; N257-S844 PolarHBondContact OD1-OG 3.02Å; L842-S844 PolarHBondContact O-N 2.97Å; S844-I847 PolarHBondContact O-N 2.86Å; S844-K848 WeakPolarHBondContact O-CB 3.08Å; S844-K848 WeakPolarHBondContact O-CG 3.36Å; S844-K848 PolarHBondContact O-N 3.37Å |
| 845 | Y | 85.5 | Confident | 88.8 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 14% | 0.137 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.3 | 166 | -85.1 | 0 | 0 | 0 | 111 | L543 K547 L774 N775 D777 I847 K848 S849 | L543-Y845 HydrophobicContact CD1-CE1 4.22Å; K547-Y845 HydrophobicContact CB-CD1 3.78Å; K547-Y845 HydrophobicContact CB-CE1 4.15Å; K547-Y845 HydrophobicContact CB-CG 4.21Å; K547-Y845 HydrophobicContact CG-CD1 4.48Å; K547-Y845 WeakPolarHBondContact O-CB 3.41Å; K547-Y845 VanDerWaalsContact O-CD1 3.26Å; K547-Y845 WeakPolarHBondContact O-CD1 3.25Å; L774-Y845 HydrophobicContact CD2-CE2 4.18Å; N775-Y845 PolarHBondContact N-OH 2.85Å; D777-Y845 WeakPolarHBondContact OD2-CE1 3.37Å; D777-Y845 PolarHBondContact OD2-OH 3.14Å; Y845-I847 VanDerWaalsContact C-N 3.32Å; Y845-I847 PolarHBondContact O-N 3.48Å; Y845-K848 PolarHBondContact O-N 2.95Å; Y845-S849 VanDerWaalsContact O-CB 3.23Å; Y845-S849 WeakPolarHBondContact O-CB 3.43Å; Y845-S849 PolarHBondContact O-N 3.41Å |
| 846 | M | 85.3 | Confident | 89.1 | Confident | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.044 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52.7 | -50 | 177.2 | 176.3 | 179.4 | 75.9 | 0 | 0 | 111.6 | L254 N257 V779 F850 | L254-M846 HydrophobicContact CD1-SD 4.46Å; N257-M846 HydrophobicContact CB-CE 3.75Å; N257-M846 WeakPolarHBondContact ND2-CE 3.46Å; V779-M846 HydrophobicContact CB-CG 4.5Å; V779-M846 HydrophobicContact CG1-CG 3.89Å; V779-M846 HydrophobicContact CG2-CG 3.84Å; V779-M846 HydrophobicContact CG2-SD 4.34Å; M846-F850 PolarHBondContact O-N 2.91Å; M846-F850 VanDerWaalsContact O-N 3.07Å |
| 847 | I | 88.1 | Confident | 89.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.6 | -40 | -176.5 | -57.5 | 178.5 | 0 | 0 | 0 | 111.3 | N257 L839 L842 S844 Y845 F850 F851 | N257-I847 HydrophobicContact CB-CD1 4.35Å; L839-I847 HydrophobicContact CB-CG2 3.8Å; L839-I847 HydrophobicContact CD2-CG2 4.33Å; L842-I847 HydrophobicContact CB-CB 4.29Å; L842-I847 HydrophobicContact CB-CD1 4.2Å; L842-I847 HydrophobicContact CB-CG2 3.8Å; L842-I847 HydrophobicContact CD1-CD1 3.92Å; L842-I847 HydrophobicContact CD1-CG2 3.79Å; L842-I847 HydrophobicContact CG-CG2 4.31Å; S844-I847 PolarHBondContact O-N 2.86Å; Y845-I847 VanDerWaalsContact C-N 3.32Å; Y845-I847 PolarHBondContact O-N 3.48Å; I847-F850 WeakPolarHBondContact O-CB 3.01Å; I847-F850 PolarHBondContact O-N 3.25Å; I847-F851 PolarHBondContact O-N 3.04Å |
| 848 | K | 88.7 | Confident | 89.4 | Confident | 76 Ų | 76 | 25.7 Ų | 25.7 | 33% | 0.33 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 175.7 | -74 | -172.3 | -176.4 | 179.9 | 0 | 112.5 | F551 L842 S844 Y845 F850 F851 K852 | F551-K848 HydrophobicContact CE2-CD 3.79Å; F551-K848 HydrophobicContact CZ-CD 4.26Å; L842-K848 WeakPolarHBondContact O-CE 3.14Å; L842-K848 WeakPolarHBondContact O-CG 3.38Å; S844-K848 WeakPolarHBondContact O-CB 3.08Å; S844-K848 WeakPolarHBondContact O-CG 3.36Å; S844-K848 PolarHBondContact O-N 3.37Å; Y845-K848 PolarHBondContact O-N 2.95Å; K848-F850 VanDerWaalsContact C-N 3.33Å; K848-F851 PolarHBondContact O-N 2.9Å; K848-K852 WeakPolarHBondContact O-CB 3.45Å; K848-K852 WeakPolarHBondContact O-CG 3.26Å; K848-K852 PolarHBondContact O-N 3.15Å |
| 849 | S | 88.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | Y845 F851 K852 T853 | Y845-S849 VanDerWaalsContact O-CB 3.23Å; Y845-S849 WeakPolarHBondContact O-CB 3.43Å; Y845-S849 PolarHBondContact O-N 3.41Å; S849-F851 PolarHBondContact O-N 3.25Å; S849-K852 PolarHBondContact O-N 3.34Å; S849-T853 PolarHBondContact O-N 2.74Å; S849-T853 PolarHBondContact O-OG1 2.83Å; S849-T853 VanDerWaalsContact O-OG1 3.06Å |
| 850 | F | 89.5 | Confident | 90.1 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.4 | -51 | 176 | -167.2 | -85.2 | 0 | 0 | 0 | 112.6 | I333 L337 T783 M786 L839 M846 I847 K848 K852 T853 V854 | I333-F850 HydrophobicContact CD1-CD2 4.35Å; I333-F850 HydrophobicContact CD1-CG 4.42Å; I333-F850 HydrophobicContact CG2-CD1 3.64Å; I333-F850 HydrophobicContact CG2-CD2 4.13Å; I333-F850 HydrophobicContact CG2-CE1 3.29Å; I333-F850 HydrophobicContact CG2-CE2 3.83Å; I333-F850 HydrophobicContact CG2-CG 4.05Å; I333-F850 HydrophobicContact CG2-CZ 3.4Å; I333-F850 VanDerWaalsContact CG2-CZ 3.4Å; L337-F850 HydrophobicContact CD1-CE1 4.43Å; L337-F850 HydrophobicContact CD1-CZ 4.43Å; L337-F850 HydrophobicContact CD2-CZ 4.25Å; T783-F850 HydrophobicContact CG2-CB 4.49Å; T783-F850 HydrophobicContact CG2-CD2 3.3Å; T783-F850 HydrophobicContact CG2-CE2 3.53Å; T783-F850 HydrophobicContact CG2-CG 3.97Å; T783-F850 HydrophobicContact CG2-CZ 4.36Å; M786-F850 HydrophobicContact SD-CZ 4.31Å; L839-F850 HydrophobicContact CD1-CD1 3.89Å; L839-F850 HydrophobicContact CD1-CE1 4.27Å; M846-F850 PolarHBondContact O-N 2.91Å; M846-F850 VanDerWaalsContact O-N 3.07Å; I847-F850 WeakPolarHBondContact O-CB 3.01Å; I847-F850 PolarHBondContact O-N 3.25Å; K848-F850 VanDerWaalsContact C-N 3.33Å; F850-K852 PolarHBondContact O-N 3.47Å; F850-T853 PolarHBondContact O-N 3Å; F850-V854 HydrophobicContact CD1-CG2 3.78Å; F850-V854 HydrophobicContact CE1-CG2 3.49Å; F850-V854 VanDerWaalsContact CE1-CG2 3.49Å; F850-V854 HydrophobicContact CZ-CG2 4Å; F850-V854 WeakPolarHBondContact O-CG2 3.38Å; F850-V854 PolarHBondContact O-N 2.95Å |
| 851 | F | 92.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 15% | 0.149 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | 177 | 166.9 | -105.9 | 0 | 0 | 0 | 112.3 | V836 L839 A840 I847 K848 S849 T853 V854 F855 | V836-F851 HydrophobicContact CB-CD2 4.16Å; V836-F851 HydrophobicContact CG2-CD2 3.93Å; V836-F851 HydrophobicContact CG2-CE2 4.19Å; V836-F851 VanDerWaalsContact O-CD2 3.26Å; V836-F851 WeakPolarHBondContact O-CD2 3.39Å; L839-F851 HydrophobicContact CB-CB 4.25Å; A840-F851 HydrophobicContact CB-CD1 3.73Å; A840-F851 HydrophobicContact CB-CD2 4Å; A840-F851 HydrophobicContact CB-CE1 3.61Å; A840-F851 HydrophobicContact CB-CE2 3.89Å; A840-F851 HydrophobicContact CB-CG 3.92Å; A840-F851 HydrophobicContact CB-CZ 3.69Å; I847-F851 PolarHBondContact O-N 3.04Å; K848-F851 PolarHBondContact O-N 2.9Å; S849-F851 PolarHBondContact O-N 3.25Å; F851-T853 PolarHBondContact O-N 3.43Å; F851-V854 PolarHBondContact O-N 2.84Å; F851-F855 HydrophobicContact CZ-CD2 4.45Å; F851-F855 VanDerWaalsContact O-CB 3.29Å; F851-F855 WeakPolarHBondContact O-CB 3.47Å; F851-F855 PolarHBondContact O-N 3.3Å |
| 852 | K | 92.9 | Very high | 90.8 | Very high | 54 Ų | 54 | 20.9 Ų | 20.9 | 24% | 0.235 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | -178.3 | -77.3 | 177.1 | 171.7 | -168.6 | 0 | 111.6 | W772 L774 K848 S849 F850 F855 L856 | W772-K852 HydrophobicContact CD2-CB 4.38Å; W772-K852 HydrophobicContact CD2-CD 4.04Å; W772-K852 HydrophobicContact CD2-CG 4.19Å; W772-K852 HydrophobicContact CE3-CB 3.97Å; W772-K852 HydrophobicContact CE3-CD 4.45Å; W772-K852 HydrophobicContact CE3-CG 4.2Å; W772-K852 HydrophobicContact CG-CD 4.32Å; W772-K852 HydrophobicContact CH2-CB 4.33Å; W772-K852 HydrophobicContact CH2-CG 4.08Å; W772-K852 HydrophobicContact CZ2-CD 4.48Å; W772-K852 HydrophobicContact CZ2-CG 4.05Å; W772-K852 HydrophobicContact CZ3-CB 3.94Å; W772-K852 HydrophobicContact CZ3-CG 4.15Å; L774-K852 HydrophobicContact CD1-CB 3.78Å; L774-K852 HydrophobicContact CD1-CD 3.99Å; L774-K852 HydrophobicContact CD2-CD 3.98Å; L774-K852 HydrophobicContact CG-CD 4.21Å; K848-K852 WeakPolarHBondContact O-CB 3.45Å; K848-K852 WeakPolarHBondContact O-CG 3.26Å; K848-K852 PolarHBondContact O-N 3.15Å; S849-K852 PolarHBondContact O-N 3.34Å; F850-K852 PolarHBondContact O-N 3.47Å; K852-F855 WeakPolarHBondContact O-CB 3.32Å; K852-F855 PolarHBondContact O-N 3.43Å; K852-L856 WeakPolarHBondContact O-CG 3.35Å; K852-L856 PolarHBondContact O-N 3.08Å |
| 853 | T | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.9 | -44.8 | -179.4 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | V765 T783 S849 F850 F851 F855 L856 V857 | V765-T853 HydrophobicContact CG1-CG2 3.74Å; T783-T853 VanDerWaalsContact OG1-CG2 3.25Å; T783-T853 WeakPolarHBondContact OG1-CG2 3.2Å; S849-T853 PolarHBondContact O-N 2.74Å; S849-T853 PolarHBondContact O-OG1 2.83Å; S849-T853 VanDerWaalsContact O-OG1 3.06Å; F850-T853 PolarHBondContact O-N 3Å; F851-T853 PolarHBondContact O-N 3.43Å; T853-F855 VanDerWaalsContact C-N 3.27Å; T853-F855 PolarHBondContact O-N 2.71Å; T853-L856 WeakPolarHBondContact O-CB 3.48Å; T853-L856 PolarHBondContact O-N 3.39Å; T853-L856 VanDerWaalsContact O-N 3.11Å; T853-V857 VanDerWaalsContact O-CG2 3.31Å; T853-V857 WeakPolarHBondContact O-CG2 3.4Å; T853-V857 PolarHBondContact O-N 3.14Å |
| 854 | V | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 111 | L337 M786 T832 V836 F850 F851 L856 V857 V858 | L337-V854 HydrophobicContact CD1-CG1 4.29Å; L337-V854 HydrophobicContact CD1-CG2 4.31Å; M786-V854 HydrophobicContact CE-CB 4.1Å; M786-V854 HydrophobicContact CE-CG1 4.37Å; M786-V854 HydrophobicContact CE-CG2 3.35Å; M786-V854 HydrophobicContact SD-CG2 4.05Å; T832-V854 HydrophobicContact CG2-CG1 4.25Å; V836-V854 HydrophobicContact CB-CG1 4.44Å; V836-V854 HydrophobicContact CG1-CB 4.2Å; V836-V854 HydrophobicContact CG1-CG1 3.77Å; V836-V854 HydrophobicContact CG1-CG2 4.26Å; V836-V854 HydrophobicContact CG2-CB 4.39Å; V836-V854 HydrophobicContact CG2-CG1 4.02Å; F850-V854 HydrophobicContact CD1-CG2 3.78Å; F850-V854 HydrophobicContact CE1-CG2 3.49Å; F850-V854 VanDerWaalsContact CE1-CG2 3.49Å; F850-V854 HydrophobicContact CZ-CG2 4Å; F850-V854 WeakPolarHBondContact O-CG2 3.38Å; F850-V854 PolarHBondContact O-N 2.95Å; F851-V854 PolarHBondContact O-N 2.84Å; V854-L856 VanDerWaalsContact C-N 3.32Å; V854-L856 PolarHBondContact O-N 2.88Å; V854-V857 PolarHBondContact O-N 3.12Å; V854-V858 HydrophobicContact CG1-CG2 4.13Å; V854-V858 WeakPolarHBondContact O-CG2 3.03Å; V854-V858 PolarHBondContact O-N 3.05Å |
| 855 | F | 94.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 21.8 Ų | 21.8 | 33% | 0.329 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 176.1 | -179.9 | -86.6 | 0 | 0 | 0 | 111.8 | W772 L833 F851 K852 T853 T859 | W772-F855 AromaticContact CH2-CD1 3.85Å; W772-F855 HydrophobicContact CH2-CD1 3.85Å; W772-F855 HydrophobicContact CH2-CE1 4.34Å; W772-F855 AromaticContact CZ3-CD1 3.97Å; W772-F855 HydrophobicContact CZ3-CD1 3.97Å; L833-F855 HydrophobicContact CD2-CB 4.44Å; L833-F855 HydrophobicContact CD2-CD2 3.7Å; L833-F855 HydrophobicContact CD2-CE2 4.33Å; L833-F855 HydrophobicContact CD2-CG 4.37Å; F851-F855 HydrophobicContact CZ-CD2 4.45Å; F851-F855 VanDerWaalsContact O-CB 3.29Å; F851-F855 WeakPolarHBondContact O-CB 3.47Å; F851-F855 PolarHBondContact O-N 3.3Å; K852-F855 WeakPolarHBondContact O-CB 3.32Å; K852-F855 PolarHBondContact O-N 3.43Å; T853-F855 VanDerWaalsContact C-N 3.27Å; T853-F855 PolarHBondContact O-N 2.71Å; F855-T859 VanDerWaalsContact O-CB 3.23Å; F855-T859 WeakPolarHBondContact O-CB 3.24Å; F855-T859 PolarHBondContact O-N 2.82Å; F855-T859 PolarHBondContact O-OG1 3.31Å |
| 856 | L | 95 | Very high | 92.9 | Very high | 17 Ų | 17 | 21 Ų | 21 | 9% | 0.089 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 173.6 | -70 | 176.9 | 0 | 0 | 0 | 111.3 | F768 M769 W772 K852 T853 V854 V858 T859 L860 | F768-L856 HydrophobicContact CB-CD1 3.86Å; F768-L856 HydrophobicContact CB-CD2 3.88Å; M769-L856 HydrophobicContact CB-CD1 4.39Å; W772-L856 HydrophobicContact CE3-CD1 3.95Å; W772-L856 HydrophobicContact CE3-CD2 3.87Å; W772-L856 HydrophobicContact CE3-CG 3.83Å; W772-L856 HydrophobicContact CZ3-CD1 4.4Å; W772-L856 HydrophobicContact CZ3-CD2 3.8Å; W772-L856 HydrophobicContact CZ3-CG 3.78Å; K852-L856 WeakPolarHBondContact O-CG 3.35Å; K852-L856 PolarHBondContact O-N 3.08Å; T853-L856 WeakPolarHBondContact O-CB 3.48Å; T853-L856 PolarHBondContact O-N 3.39Å; T853-L856 VanDerWaalsContact O-N 3.11Å; V854-L856 VanDerWaalsContact C-N 3.32Å; V854-L856 PolarHBondContact O-N 2.88Å; L856-V858 PolarHBondContact O-N 2.84Å; L856-T859 PolarHBondContact O-N 2.97Å; L856-L860 WeakPolarHBondContact O-CB 3.47Å; L856-L860 WeakPolarHBondContact O-CG 3.23Å; L856-L860 PolarHBondContact O-N 3.23Å |
| 857 | V | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -51.6 | -179.8 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | V765 M786 F790 T853 V854 G861 | V765-V857 HydrophobicContact CG1-CG2 4.01Å; V765-V857 HydrophobicContact CG2-CB 4.49Å; V765-V857 HydrophobicContact CG2-CG2 3.77Å; M786-V857 HydrophobicContact CE-CG2 4.41Å; F790-V857 HydrophobicContact CB-CG1 4.26Å; T853-V857 VanDerWaalsContact O-CG2 3.31Å; T853-V857 WeakPolarHBondContact O-CG2 3.4Å; T853-V857 PolarHBondContact O-N 3.14Å; V854-V857 PolarHBondContact O-N 3.12Å; V857-G861 WeakPolarHBondContact O-CA 3.22Å; V857-G861 PolarHBondContact O-N 2.71Å |
| 858 | V | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.9 | -44.6 | -177 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | F794 G829 T832 L833 V854 L856 G861 L862 | F794-V858 HydrophobicContact CE2-CG1 4.36Å; F794-V858 HydrophobicContact CZ-CG1 4.44Å; G829-V858 WeakPolarHBondContact O-CG1 3.48Å; T832-V858 HydrophobicContact CG2-CG2 3.61Å; L833-V858 HydrophobicContact CD1-CG1 4.25Å; L833-V858 HydrophobicContact CD2-CB 3.92Å; L833-V858 HydrophobicContact CD2-CG1 4.06Å; L833-V858 HydrophobicContact CD2-CG2 4.38Å; L833-V858 HydrophobicContact CG-CB 4.25Å; L833-V858 HydrophobicContact CG-CG1 3.83Å; V854-V858 HydrophobicContact CG1-CG2 4.13Å; V854-V858 WeakPolarHBondContact O-CG2 3.03Å; V854-V858 PolarHBondContact O-N 3.05Å; L856-V858 PolarHBondContact O-N 2.84Å; V858-G861 PolarHBondContact O-N 2.86Å; V858-L862 HydrophobicContact CG1-CD1 3.99Å; V858-L862 HydrophobicContact CG1-CG 4.31Å; V858-L862 WeakPolarHBondContact O-CB 3.47Å; V858-L862 VanDerWaalsContact O-CG 3.27Å; V858-L862 WeakPolarHBondContact O-CG 3.4Å; V858-L862 PolarHBondContact O-N 3.08Å |
| 859 | T | 94.8 | Very high | 94 | Very high | 44 Ų | 44 | 18.9 Ų | 18.9 | 27% | 0.27 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -65.4 | -47.8 | -178.3 | -55 | 0 | 0 | 0 | 0 | 111.2 | F855 L856 L862 I863 | F855-T859 VanDerWaalsContact O-CB 3.23Å; F855-T859 WeakPolarHBondContact O-CB 3.24Å; F855-T859 PolarHBondContact O-N 2.82Å; F855-T859 PolarHBondContact O-OG1 3.31Å; L856-T859 PolarHBondContact O-N 2.97Å; T859-L862 PolarHBondContact O-N 3.34Å; T859-I863 HydrophobicContact CG2-CD1 4.04Å; T859-I863 WeakPolarHBondContact O-CD1 3.43Å; T859-I863 VanDerWaalsContact O-CG1 3.24Å; T859-I863 WeakPolarHBondContact O-CG1 3.35Å; T859-I863 PolarHBondContact O-N 3.31Å |
| 860 | L | 96 | Very high | 94.3 | Very high | 16 Ų | 16 | 18.8 Ų | 18.8 | 8% | 0.084 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 177.5 | -65.5 | -179.2 | 0 | 0 | 0 | 111.1 | Y528 V761 V765 F768 L856 L862 I863 H864 | Y528-L860 HydrophobicContact CD2-CD2 4.27Å; Y528-L860 HydrophobicContact CE2-CD1 4.2Å; Y528-L860 HydrophobicContact CE2-CD2 3.6Å; Y528-L860 HydrophobicContact CE2-CG 4.47Å; V761-L860 HydrophobicContact CG1-CB 4.27Å; V765-L860 HydrophobicContact CG2-CD1 4.09Å; F768-L860 HydrophobicContact CD2-CD1 4.16Å; L856-L860 WeakPolarHBondContact O-CB 3.47Å; L856-L860 WeakPolarHBondContact O-CG 3.23Å; L856-L860 PolarHBondContact O-N 3.23Å; L860-L862 PolarHBondContact O-N 2.95Å; L860-I863 PolarHBondContact O-N 2.91Å; L860-H864 PolarHBondContact O-N 3.34Å; L860-H864 PolarHBondContact O-ND1 3.29Å |
| 861 | G | 94.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V857 V858 H864 A865 | V857-G861 WeakPolarHBondContact O-CA 3.22Å; V857-G861 PolarHBondContact O-N 2.71Å; V858-G861 PolarHBondContact O-N 2.86Å; G861-H864 PolarHBondContact O-N 2.97Å; G861-A865 WeakPolarHBondContact O-CB 3.34Å; G861-A865 PolarHBondContact O-N 3.41Å |
| 862 | L | 95.7 | Very high | 94.6 | Very high | 26 Ų | 26 | 18.5 Ų | 18.5 | 14% | 0.136 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.9 | -73.4 | 174.8 | 0 | 0 | 0 | 112.2 | F794 V825 V858 T859 L860 H864 A865 L866 | F794-L862 HydrophobicContact CD2-CD2 4.31Å; F794-L862 HydrophobicContact CD2-CG 4.44Å; F794-L862 HydrophobicContact CE2-CD2 4.44Å; F794-L862 HydrophobicContact CE2-CG 4.38Å; F794-L862 HydrophobicContact CG-CD2 4.35Å; V825-L862 HydrophobicContact CG1-CD2 3.71Å; V858-L862 HydrophobicContact CG1-CD1 3.99Å; V858-L862 HydrophobicContact CG1-CG 4.31Å; V858-L862 WeakPolarHBondContact O-CB 3.47Å; V858-L862 VanDerWaalsContact O-CG 3.27Å; V858-L862 WeakPolarHBondContact O-CG 3.4Å; V858-L862 PolarHBondContact O-N 3.08Å; T859-L862 PolarHBondContact O-N 3.34Å; L860-L862 PolarHBondContact O-N 2.95Å; L862-H864 VanDerWaalsContact C-N 3.32Å; L862-H864 PolarHBondContact O-N 3.21Å; L862-A865 PolarHBondContact O-N 3.14Å; L862-L866 HydrophobicContact CD2-CD1 4.47Å; L862-L866 VanDerWaalsContact O-CB 3.28Å; L862-L866 WeakPolarHBondContact O-CB 3.24Å; L862-L866 WeakPolarHBondContact O-CG 3.2Å; L862-L866 PolarHBondContact O-N 3.31Å |
| 863 | I | 95.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 15.9 Ų | 15.9 | 32% | 0.323 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 176.4 | -69.4 | 167 | 0 | 0 | 0 | 110.1 | T859 L860 L867 F868 | T859-I863 HydrophobicContact CG2-CD1 4.04Å; T859-I863 WeakPolarHBondContact O-CD1 3.43Å; T859-I863 VanDerWaalsContact O-CG1 3.24Å; T859-I863 WeakPolarHBondContact O-CG1 3.35Å; T859-I863 PolarHBondContact O-N 3.31Å; L860-I863 PolarHBondContact O-N 2.91Å; I863-L867 HydrophobicContact CG2-CB 4.45Å; I863-L867 HydrophobicContact CG2-CD2 4.38Å; I863-L867 WeakPolarHBondContact O-CA 3.36Å; I863-L867 WeakPolarHBondContact O-CB 3.34Å; I863-L867 PolarHBondContact O-N 2.79Å; I863-F868 HydrophobicContact CG2-CD2 3.99Å; I863-F868 HydrophobicContact CG2-CE1 4.49Å; I863-F868 HydrophobicContact CG2-CE2 3.53Å; I863-F868 HydrophobicContact CG2-CZ 3.81Å; I863-F868 PolarHBondContact O-N 3.03Å |
| 864 | H | 95.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -63.8 | -49 | 177.8 | -76.5 | 70.7 | 0 | 0 | 0 | 111.3 | Y528 S760 V761 L860 G861 L862 L866 F868 L869 | Y528-H864 AromaticContact CE1-CE1 3.68Å; Y528-H864 AromaticContact CE1-NE2 3.67Å; Y528-H864 AromaticContact CZ-CE1 3.48Å; Y528-H864 VanDerWaalsContact CZ-CE1 3.48Å; Y528-H864 AromaticContact CZ-NE2 3.9Å; Y528-H864 PolarHBondContact OH-CE1 2.9Å; Y528-H864 VanDerWaalsContact OH-CE1 3.31Å; S760-H864 WeakPolarHBondContact CB-NE2 3.35Å; S760-H864 PolarHBondContact OG-NE2 3.22Å; V761-H864 HydrophobicContact CG2-CB 3.94Å; V761-H864 VanDerWaalsContact CG2-CG 3.4Å; V761-H864 WeakPolarHBondContact CG2-ND1 3.47Å; L860-H864 PolarHBondContact O-N 3.34Å; L860-H864 PolarHBondContact O-ND1 3.29Å; G861-H864 PolarHBondContact O-N 2.97Å; L862-H864 VanDerWaalsContact C-N 3.32Å; L862-H864 PolarHBondContact O-N 3.21Å; H864-L866 PolarHBondContact O-N 3.23Å; H864-F868 AromaticContact CD2-CD2 3.8Å; H864-F868 AromaticContact CE1-CD2 3.85Å; H864-F868 AromaticContact CE1-CE2 3.95Å; H864-F868 AromaticContact CG-CD2 3.83Å; H864-F868 AromaticContact ND1-CD2 3.85Å; H864-F868 AromaticContact NE2-CD2 3.8Å; H864-F868 PolarHBondContact O-N 3.43Å; H864-L869 WeakPolarHBondContact O-CB 3.47Å; H864-L869 PolarHBondContact O-N 3.3Å |
| 865 | A | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -65.1 | -37.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F794 G861 L862 P870 | F794-A865 HydrophobicContact CB-CB 3.56Å; F794-A865 WeakPolarHBondContact O-CB 3.39Å; G861-A865 WeakPolarHBondContact O-CB 3.34Å; G861-A865 PolarHBondContact O-N 3.41Å; L862-A865 PolarHBondContact O-N 3.14Å; A865-P870 VanDerWaalsContact O-CD 3.31Å; A865-P870 WeakPolarHBondContact O-CD 3.33Å |
| 866 | L | 95.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 10% | 0.099 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -98.9 | -19.9 | -172.3 | -60.1 | 174.5 | 0 | 0 | 0 | 114.4 | Y508 L818 A822 V825 I826 L862 H864 | Y508-L866 PolarHBondContact OH-O 3.3Å; L818-L866 HydrophobicContact CD2-CD2 4.41Å; A822-L866 HydrophobicContact CB-CD2 3.8Å; V825-L866 HydrophobicContact CG1-CD2 4.46Å; I826-L866 HydrophobicContact CD1-CD1 3.85Å; I826-L866 HydrophobicContact CG1-CD1 3.53Å; L862-L866 HydrophobicContact CD2-CD1 4.47Å; L862-L866 VanDerWaalsContact O-CB 3.28Å; L862-L866 WeakPolarHBondContact O-CB 3.24Å; L862-L866 WeakPolarHBondContact O-CG 3.2Å; L862-L866 PolarHBondContact O-N 3.31Å; H864-L866 PolarHBondContact O-N 3.23Å |
| 867 | L | 95 | Very high | 93.7 | Very high | 35 Ų | 35 | 16.6 Ų | 16.6 | 18% | 0.183 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -121.3 | -60.6 | -173.5 | -160.5 | 76 | 0 | 0 | 0 | 112.5 | I512 I521 L524 I863 | I512-L867 HydrophobicContact CG2-CD1 4.28Å; I521-L867 HydrophobicContact CB-CG 4.46Å; I521-L867 HydrophobicContact CD1-CD1 3.63Å; I521-L867 HydrophobicContact CD1-CG 4.01Å; I521-L867 HydrophobicContact CG1-CD1 3.77Å; I521-L867 HydrophobicContact CG1-CD2 4.17Å; I521-L867 HydrophobicContact CG1-CG 3.83Å; I521-L867 HydrophobicContact CG2-CD2 4.18Å; I521-L867 HydrophobicContact CG2-CG 3.8Å; L524-L867 HydrophobicContact CD2-CD2 3.71Å; I863-L867 HydrophobicContact CG2-CB 4.45Å; I863-L867 HydrophobicContact CG2-CD2 4.38Å; I863-L867 WeakPolarHBondContact O-CA 3.36Å; I863-L867 WeakPolarHBondContact O-CB 3.34Å; I863-L867 PolarHBondContact O-N 2.79Å |
| 868 | F | 95.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -75.9 | -47.3 | -172.7 | -58.7 | -37.4 | 0 | 0 | 0 | 112.9 | I521 L524 F525 Y528 I863 H864 L871 F872 | I521-F868 HydrophobicContact CG2-CD1 3.74Å; I521-F868 HydrophobicContact CG2-CE1 4.17Å; L524-F868 HydrophobicContact CB-CE1 4.35Å; L524-F868 HydrophobicContact CD2-CE1 4.17Å; L524-F868 HydrophobicContact CD2-CZ 4.26Å; L524-F868 HydrophobicContact CG-CE1 4.21Å; L524-F868 HydrophobicContact CG-CZ 4.17Å; F525-F868 HydrophobicContact CB-CD1 3.92Å; F525-F868 HydrophobicContact CB-CE1 3.76Å; F525-F868 HydrophobicContact CB-CZ 4.21Å; F525-F868 HydrophobicContact CD2-CB 4.28Å; F525-F868 HydrophobicContact CD2-CD1 4.02Å; F525-F868 AromaticContact CD2-CD2 3.72Å; F525-F868 HydrophobicContact CD2-CD2 3.72Å; F525-F868 HydrophobicContact CD2-CE1 4.25Å; F525-F868 AromaticContact CD2-CE2 3.95Å; F525-F868 HydrophobicContact CD2-CE2 3.95Å; F525-F868 AromaticContact CD2-CG 3.77Å; F525-F868 HydrophobicContact CD2-CG 3.77Å; F525-F868 HydrophobicContact CD2-CZ 4.22Å; F525-F868 HydrophobicContact CE2-CD2 4.34Å; F525-F868 HydrophobicContact CG-CD1 4.43Å; Y528-F868 HydrophobicContact CD1-CE2 4.46Å; Y528-F868 HydrophobicContact CG-CE2 4.47Å; I863-F868 HydrophobicContact CG2-CD2 3.99Å; I863-F868 HydrophobicContact CG2-CE1 4.49Å; I863-F868 HydrophobicContact CG2-CE2 3.53Å; I863-F868 HydrophobicContact CG2-CZ 3.81Å; I863-F868 PolarHBondContact O-N 3.03Å; H864-F868 AromaticContact CD2-CD2 3.8Å; H864-F868 AromaticContact CE1-CD2 3.85Å; H864-F868 AromaticContact CE1-CE2 3.95Å; H864-F868 AromaticContact CG-CD2 3.83Å; H864-F868 AromaticContact ND1-CD2 3.85Å; H864-F868 AromaticContact NE2-CD2 3.8Å; H864-F868 PolarHBondContact O-N 3.43Å; F868-L871 WeakPolarHBondContact O-CB 3.25Å; F868-L871 PolarHBondContact O-N 3.32Å; F868-L871 VanDerWaalsContact O-N 3.17Å; F868-F872 HydrophobicContact CB-CD2 4.43Å; F868-F872 HydrophobicContact CB-CE2 3.91Å; F868-F872 WeakPolarHBondContact O-CD2 3.4Å; F868-F872 WeakPolarHBondContact O-CG 3.47Å; F868-F872 PolarHBondContact O-N 3.19Å |
| 869 | L | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | -179.7 | 179.3 | 69.6 | 0 | 0 | 0 | 112.4 | W753 S795 I798 A799 H864 L871 F872 L873 | W753-L869 HydrophobicContact CB-CD1 3.9Å; S795-L869 VanDerWaalsContact O-CD2 3.24Å; S795-L869 WeakPolarHBondContact O-CD2 3.37Å; I798-L869 HydrophobicContact CB-CD2 4.46Å; A799-L869 HydrophobicContact CB-CD2 4.37Å; H864-L869 WeakPolarHBondContact O-CB 3.47Å; H864-L869 PolarHBondContact O-N 3.3Å; L869-L871 VanDerWaalsContact C-N 3.27Å; L869-L871 PolarHBondContact O-N 3.1Å; L869-F872 PolarHBondContact O-N 3.2Å; L869-L873 HydrophobicContact CD1-CD1 4.1Å; L869-L873 HydrophobicContact CD1-CD2 4.43Å; L869-L873 HydrophobicContact CD1-CG 4Å; L869-L873 HydrophobicContact CD2-CD1 4.46Å; L869-L873 HydrophobicContact CG-CD1 3.87Å; L869-L873 HydrophobicContact CG-CG 4.2Å; L869-L873 WeakPolarHBondContact O-CB 3.41Å; L869-L873 VanDerWaalsContact O-CG 3.32Å; L869-L873 WeakPolarHBondContact O-CG 3.13Å; L869-L873 PolarHBondContact O-N 3.35Å |
| 870 | P | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.2 | -39 | 173.3 | -30.8 | 39.5 | 0 | 0 | 0 | 113.7 | I512 M513 I814 L818 A865 T874 | I512-P870 HydrophobicContact CD1-CB 4.01Å; M513-P870 HydrophobicContact CE-CB 4.13Å; I814-P870 HydrophobicContact CD1-CB 3.88Å; I814-P870 HydrophobicContact CD1-CG 4.23Å; I814-P870 HydrophobicContact CG1-CB 3.8Å; L818-P870 HydrophobicContact CD1-CB 4.37Å; L818-P870 HydrophobicContact CD1-CG 4.36Å; L818-P870 HydrophobicContact CD2-CG 4.14Å; A865-P870 VanDerWaalsContact O-CD 3.31Å; A865-P870 WeakPolarHBondContact O-CD 3.33Å; P870-T874 WeakPolarHBondContact O-CB 3.39Å; P870-T874 WeakPolarHBondContact O-CG2 3.21Å; P870-T874 PolarHBondContact O-N 3.09Å; P870-T874 VanDerWaalsContact O-N 3.09Å; P870-T874 PolarHBondContact O-OG1 2.6Å |
| 871 | L | 94 | Very high | 91.6 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -50.6 | 175.9 | 178.1 | 66.9 | 0 | 0 | 0 | 110.7 | R518 I521 A522 F868 L869 L873 T874 L875 | R518-L871 HydrophobicContact CB-CD1 3.75Å; R518-L871 HydrophobicContact CG-CD1 3.66Å; I521-L871 HydrophobicContact CB-CD2 4.05Å; I521-L871 HydrophobicContact CG2-CB 4.26Å; I521-L871 HydrophobicContact CG2-CD2 3.64Å; A522-L871 HydrophobicContact CB-CD2 4.11Å; F868-L871 WeakPolarHBondContact O-CB 3.25Å; F868-L871 PolarHBondContact O-N 3.32Å; F868-L871 VanDerWaalsContact O-N 3.17Å; L869-L871 VanDerWaalsContact C-N 3.27Å; L869-L871 PolarHBondContact O-N 3.1Å; L871-L873 PolarHBondContact O-N 3.49Å; L871-T874 PolarHBondContact O-N 3.01Å; L871-T874 PolarHBondContact O-OG1 3.29Å; L871-L875 HydrophobicContact CD1-CD1 3.82Å; L871-L875 HydrophobicContact CD1-CG 4.05Å; L871-L875 HydrophobicContact CG-CD1 3.88Å; L871-L875 HydrophobicContact CG-CG 4.42Å; L871-L875 WeakPolarHBondContact O-CB 3.44Å; L871-L875 VanDerWaalsContact O-CG 3.32Å; L871-L875 WeakPolarHBondContact O-CG 3.3Å; L871-L875 PolarHBondContact O-N 2.8Å |
| 872 | F | 93.3 | Very high | 90.9 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | -178.5 | -62 | -46.6 | 0 | 0 | 0 | 113 | F525 W753 F756 F868 L869 T874 S876 | F525-F872 AromaticContact CD1-CZ 3.84Å; F525-F872 HydrophobicContact CD1-CZ 3.84Å; F525-F872 HydrophobicContact CD2-CE2 4.23Å; F525-F872 AromaticContact CD2-CZ 3.97Å; F525-F872 HydrophobicContact CD2-CZ 3.97Å; F525-F872 AromaticContact CE1-CZ 3.86Å; F525-F872 HydrophobicContact CE1-CZ 3.86Å; F525-F872 HydrophobicContact CE2-CE2 4.06Å; F525-F872 AromaticContact CE2-CZ 3.99Å; F525-F872 HydrophobicContact CE2-CZ 3.99Å; F525-F872 AromaticContact CG-CZ 3.89Å; F525-F872 HydrophobicContact CG-CZ 3.89Å; F525-F872 HydrophobicContact CZ-CE2 4.28Å; F525-F872 AromaticContact CZ-CZ 3.96Å; F525-F872 HydrophobicContact CZ-CZ 3.96Å; W753-F872 HydrophobicContact CD2-CB 3.63Å; W753-F872 HydrophobicContact CD2-CG 4.35Å; W753-F872 HydrophobicContact CE3-CB 3.56Å; W753-F872 HydrophobicContact CE3-CD1 4.41Å; W753-F872 HydrophobicContact CE3-CD2 4Å; W753-F872 AromaticContact CE3-CG 3.76Å; W753-F872 HydrophobicContact CE3-CG 3.76Å; W753-F872 HydrophobicContact CG-CB 4.21Å; W753-F872 HydrophobicContact CH2-CB 4.09Å; W753-F872 AromaticContact CH2-CD1 3.98Å; W753-F872 HydrophobicContact CH2-CD1 3.98Å; W753-F872 HydrophobicContact CH2-CG 4.12Å; W753-F872 HydrophobicContact CZ2-CB 4.15Å; W753-F872 HydrophobicContact CZ3-CB 3.8Å; W753-F872 AromaticContact CZ3-CD1 3.82Å; W753-F872 HydrophobicContact CZ3-CD1 3.82Å; W753-F872 HydrophobicContact CZ3-CD2 4.06Å; W753-F872 HydrophobicContact CZ3-CE1 4.42Å; W753-F872 AromaticContact CZ3-CG 3.64Å; W753-F872 HydrophobicContact CZ3-CG 3.64Å; F756-F872 HydrophobicContact CD1-CD2 4.43Å; F756-F872 HydrophobicContact CD1-CE2 4.18Å; F756-F872 HydrophobicContact CE1-CD2 4.42Å; F756-F872 AromaticContact CE1-CE2 3.79Å; F756-F872 HydrophobicContact CE1-CE2 3.79Å; F756-F872 AromaticContact CE1-CZ 3.99Å; F756-F872 HydrophobicContact CE1-CZ 3.99Å; F868-F872 HydrophobicContact CB-CD2 4.43Å; F868-F872 HydrophobicContact CB-CE2 3.91Å; F868-F872 WeakPolarHBondContact O-CD2 3.4Å; F868-F872 WeakPolarHBondContact O-CG 3.47Å; F868-F872 PolarHBondContact O-N 3.19Å; L869-F872 PolarHBondContact O-N 3.2Å; F872-T874 PolarHBondContact O-N 3.18Å; F872-S876 WeakPolarHBondContact O-CB 3.32Å; F872-S876 PolarHBondContact O-N 3.15Å; F872-S876 PolarHBondContact O-OG 3.49Å |
| 873 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 176.8 | -69.9 | 177.4 | 0 | 0 | 0 | 112.4 | C750 W753 Y802 L869 L871 S876 G877 | C750-L873 HydrophobicContact CB-CD2 4.25Å; W753-L873 HydrophobicContact CB-CD2 4.12Å; W753-L873 HydrophobicContact CG-CD2 4.36Å; Y802-L873 HydrophobicContact CD1-CB 4.37Å; Y802-L873 HydrophobicContact CD1-CD1 4.07Å; Y802-L873 HydrophobicContact CD1-CD2 4.28Å; Y802-L873 HydrophobicContact CD1-CG 4.49Å; Y802-L873 HydrophobicContact CE1-CB 4.14Å; Y802-L873 HydrophobicContact CE1-CD2 4.32Å; Y802-L873 HydrophobicContact CE2-CB 4.46Å; Y802-L873 HydrophobicContact CG-CD1 4.09Å; Y802-L873 PolarHBondContact OH-O 2.9Å; Y802-L873 VanDerWaalsContact OH-O 3.12Å; L869-L873 HydrophobicContact CD1-CD1 4.1Å; L869-L873 HydrophobicContact CD1-CD2 4.43Å; L869-L873 HydrophobicContact CD1-CG 4Å; L869-L873 HydrophobicContact CD2-CD1 4.46Å; L869-L873 HydrophobicContact CG-CD1 3.87Å; L869-L873 HydrophobicContact CG-CG 4.2Å; L869-L873 WeakPolarHBondContact O-CB 3.41Å; L869-L873 VanDerWaalsContact O-CG 3.32Å; L869-L873 WeakPolarHBondContact O-CG 3.13Å; L869-L873 PolarHBondContact O-N 3.35Å; L871-L873 PolarHBondContact O-N 3.49Å; L873-S876 PolarHBondContact O-OG 3.34Å; L873-G877 PolarHBondContact O-N 3.39Å |
| 874 | T | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.2 | -42.7 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | M513 I814 P870 L871 F872 G877 E878 | M513-T874 HydrophobicContact CE-CG2 3.87Å; M513-T874 HydrophobicContact SD-CG2 3.48Å; M513-T874 WeakPolarHBondContact SD-CG2 3.43Å; I814-T874 HydrophobicContact CB-CG2 3.8Å; I814-T874 HydrophobicContact CG1-CG2 4.22Å; I814-T874 HydrophobicContact CG2-CG2 3.44Å; I814-T874 VanDerWaalsContact CG2-CG2 3.44Å; P870-T874 WeakPolarHBondContact O-CB 3.39Å; P870-T874 WeakPolarHBondContact O-CG2 3.21Å; P870-T874 PolarHBondContact O-N 3.09Å; P870-T874 VanDerWaalsContact O-N 3.09Å; P870-T874 PolarHBondContact O-OG1 2.6Å; L871-T874 PolarHBondContact O-N 3.01Å; L871-T874 PolarHBondContact O-OG1 3.29Å; F872-T874 PolarHBondContact O-N 3.18Å; T874-G877 PolarHBondContact O-N 2.87Å; T874-E878 WeakPolarHBondContact O-CB 3.28Å; T874-E878 VanDerWaalsContact O-CG 3.3Å; T874-E878 WeakPolarHBondContact O-CG 3.45Å; T874-E878 PolarHBondContact O-N 3.48Å |
| 875 | L | 90.9 | Very high | 87.8 | Confident | 79 Ų | 79 | 42 Ų | 42 | 41% | 0.414 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.5 | -70.3 | 176.7 | 0 | 0 | 0 | 111.8 | L871 E878 L879 | L871-L875 HydrophobicContact CD1-CD1 3.82Å; L871-L875 HydrophobicContact CD1-CG 4.05Å; L871-L875 HydrophobicContact CG-CD1 3.88Å; L871-L875 HydrophobicContact CG-CG 4.42Å; L871-L875 WeakPolarHBondContact O-CB 3.44Å; L871-L875 VanDerWaalsContact O-CG 3.32Å; L871-L875 WeakPolarHBondContact O-CG 3.3Å; L871-L875 PolarHBondContact O-N 2.8Å; L875-E878 PolarHBondContact O-N 3.25Å; L875-L879 WeakPolarHBondContact O-CB 3.46Å; L875-L879 PolarHBondContact O-N 3.04Å |
| 876 | S | 88.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 12% | 0.119 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -38 | 176.8 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | W753 F872 L873 L879 S880 | W753-S876 PolarHBondContact NE1-OG 2.92Å; W753-S876 VanDerWaalsContact NE1-OG 3.16Å; F872-S876 WeakPolarHBondContact O-CB 3.32Å; F872-S876 PolarHBondContact O-N 3.15Å; F872-S876 PolarHBondContact O-OG 3.49Å; L873-S876 PolarHBondContact O-OG 3.34Å; S876-L879 PolarHBondContact O-N 3.27Å; S876-S880 WeakPolarHBondContact O-CB 3.44Å; S876-S880 PolarHBondContact O-N 3.47Å |
| 877 | G | 86 | Confident | 85.1 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L873 T874 S880 E881 | L873-G877 PolarHBondContact O-N 3.39Å; T874-G877 PolarHBondContact O-N 2.87Å; G877-S880 PolarHBondContact O-N 3.08Å; G877-E881 WeakPolarHBondContact O-CG 3.46Å; G877-E881 PolarHBondContact O-N 2.88Å |
| 878 | E | 87.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 178.3 | -75.6 | 173.2 | -166.4 | 0 | 0 | 111.7 | R518 P810 I811 T874 L875 E881 K882 | R518-E878 IonicContact CZ-OE1 3.44Å; R518-E878 VanDerWaalsContact CZ-OE1 3.31Å; R518-E878 IonicContact NH1-OE1 3.89Å; R518-E878 PolarHBondContact NH1-OE1 2.79Å; R518-E878 IonicContact NH1-OE2 3.22Å; R518-E878 PolarHBondContact NH1-OE2 2.96Å; R518-E878 IonicContact NH2-OE1 3.39Å; R518-E878 PolarHBondContact NH2-OE1 2.69Å; P810-E878 HydrophobicContact CB-CG 4.46Å; P810-E878 HydrophobicContact CG-CG 4.23Å; I811-E878 WeakPolarHBondContact CD1-OE1 3.13Å; T874-E878 WeakPolarHBondContact O-CB 3.28Å; T874-E878 VanDerWaalsContact O-CG 3.3Å; T874-E878 WeakPolarHBondContact O-CG 3.45Å; T874-E878 PolarHBondContact O-N 3.48Å; L875-E878 PolarHBondContact O-N 3.25Å; E878-E881 PolarHBondContact O-N 3.18Å; E878-K882 WeakPolarHBondContact O-CB 3.4Å; E878-K882 WeakPolarHBondContact O-CG 3.34Å; E878-K882 PolarHBondContact O-N 3.47Å |
| 879 | L | 85.2 | Confident | 82 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 53% | 0.534 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 175 | -175.3 | 63.8 | 0 | 0 | 0 | 111.6 | L875 S876 E881 K882 Y883 | L875-L879 WeakPolarHBondContact O-CB 3.46Å; L875-L879 PolarHBondContact O-N 3.04Å; S876-L879 PolarHBondContact O-N 3.27Å; L879-E881 VanDerWaalsContact C-N 3.35Å; L879-E881 PolarHBondContact O-N 2.89Å; L879-K882 PolarHBondContact O-N 3.08Å; L879-Y883 WeakPolarHBondContact O-CB 3.35Å; L879-Y883 PolarHBondContact O-N 3.48Å |
| 880 | S | 81.7 | Confident | 80.4 | Confident | 41 Ų | 41 | 57.9 Ų | 57.9 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | S876 G877 Y883 K884 | S876-S880 WeakPolarHBondContact O-CB 3.44Å; S876-S880 PolarHBondContact O-N 3.47Å; G877-S880 PolarHBondContact O-N 3.08Å; S880-Y883 PolarHBondContact O-N 2.82Å; S880-K884 WeakPolarHBondContact O-CG 3.42Å; S880-K884 PolarHBondContact O-N 2.9Å |
| 881 | E | 81.2 | Confident | 78.3 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 177.5 | -70.7 | -59.2 | 133.7 | 0 | 0 | 112.5 | P810 G877 E878 L879 Y883 K884 S885 | P810-E881 HydrophobicContact CG-CG 4.33Å; G877-E881 WeakPolarHBondContact O-CG 3.46Å; G877-E881 PolarHBondContact O-N 2.88Å; E878-E881 PolarHBondContact O-N 3.18Å; L879-E881 VanDerWaalsContact C-N 3.35Å; L879-E881 PolarHBondContact O-N 2.89Å; E881-Y883 VanDerWaalsContact C-N 3.32Å; E881-Y883 PolarHBondContact O-N 3.4Å; E881-K884 PolarHBondContact O-N 2.83Å; E881-K884 IonicContact OE1-NZ 2.86Å; E881-K884 PolarHBondContact OE1-NZ 3.49Å; E881-S885 WeakPolarHBondContact O-CB 3.33Å; E881-S885 PolarHBondContact O-N 3.26Å |
| 882 | K | 78.9 | Confident | 76.5 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 172.1 | -78.5 | 177.7 | -178.8 | 178.1 | 0 | 111.6 | E878 L879 S885 H886 | E878-K882 WeakPolarHBondContact O-CB 3.4Å; E878-K882 WeakPolarHBondContact O-CG 3.34Å; E878-K882 PolarHBondContact O-N 3.47Å; L879-K882 PolarHBondContact O-N 3.08Å; K882-S885 PolarHBondContact O-N 3.45Å; K882-H886 WeakPolarHBondContact O-CB 3.49Å; K882-H886 PolarHBondContact O-N 3.34Å |
| 883 | Y | 74.6 | Confident | 74.7 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 178.5 | -171 | -93.8 | 0 | 0 | 0 | 112.1 | L879 S880 E881 S885 H886 C887 I918 | L879-Y883 WeakPolarHBondContact O-CB 3.35Å; L879-Y883 PolarHBondContact O-N 3.48Å; S880-Y883 PolarHBondContact O-N 2.82Å; E881-Y883 VanDerWaalsContact C-N 3.32Å; E881-Y883 PolarHBondContact O-N 3.4Å; Y883-S885 VanDerWaalsContact C-N 3.31Å; Y883-S885 PolarHBondContact O-N 3.01Å; Y883-H886 PolarHBondContact O-N 3.35Å; Y883-H886 VanDerWaalsContact O-N 3.16Å; Y883-C887 WeakPolarHBondContact CE1-SG 3.37Å; Y883-C887 VanDerWaalsContact CZ-SG 3.52Å; Y883-C887 PolarHBondContact O-N 2.87Å; Y883-I918 HydrophobicContact CD1-CD1 3.58Å; Y883-I918 HydrophobicContact CE1-CD1 3.4Å; Y883-I918 VanDerWaalsContact CE1-CD1 3.4Å; Y883-I918 HydrophobicContact CE1-CG1 4.09Å |
| 884 | K | 73.9 | Confident | 72.7 | Confident | 99 Ų | 99 | 86.7 Ų | 86.7 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 173.4 | -74.5 | 175.6 | -171.7 | 171.2 | 0 | 112 | S880 E881 H886 C888 | S880-K884 WeakPolarHBondContact O-CG 3.42Å; S880-K884 PolarHBondContact O-N 2.9Å; E881-K884 PolarHBondContact O-N 2.83Å; E881-K884 IonicContact OE1-NZ 2.86Å; E881-K884 PolarHBondContact OE1-NZ 3.49Å; K884-H886 VanDerWaalsContact C-N 3.35Å; K884-C888 VanDerWaalsContact O-CB 3.24Å; K884-C888 WeakPolarHBondContact O-CB 3.47Å; K884-C888 PolarHBondContact O-N 3.05Å |
| 885 | S | 73.7 | Confident | 70.8 | Confident | 63 Ų | 63 | 89.8 Ų | 89.8 | 44% | 0.441 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | E881 K882 Y883 C888 H889 | E881-S885 WeakPolarHBondContact O-CB 3.33Å; E881-S885 PolarHBondContact O-N 3.26Å; K882-S885 PolarHBondContact O-N 3.45Å; Y883-S885 VanDerWaalsContact C-N 3.31Å; Y883-S885 PolarHBondContact O-N 3.01Å; S885-C888 PolarHBondContact O-N 3.38Å; S885-H889 PolarHBondContact O-CD2 3.41Å; S885-H889 VanDerWaalsContact O-CD2 3.29Å; S885-H889 PolarHBondContact O-N 2.78Å |
| 886 | H | 68.8 | Low | 68.7 | Low | 114 Ų | 114 | 90.1 Ų | 90.1 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 177.8 | -165.9 | 68.3 | 0 | 0 | 0 | 112.6 | K882 Y883 K884 C888 H889 I890 | K882-H886 WeakPolarHBondContact O-CB 3.49Å; K882-H886 PolarHBondContact O-N 3.34Å; Y883-H886 PolarHBondContact O-N 3.35Å; Y883-H886 VanDerWaalsContact O-N 3.16Å; K884-H886 VanDerWaalsContact C-N 3.35Å; H886-C888 VanDerWaalsContact C-N 3.31Å; H886-C888 PolarHBondContact O-N 2.86Å; H886-H889 WeakPolarHBondContact O-CB 3.32Å; H886-H889 PolarHBondContact O-N 3.42Å; H886-H889 VanDerWaalsContact O-N 3.12Å; H886-I890 WeakPolarHBondContact O-CG1 3.41Å; H886-I890 PolarHBondContact O-N 3.49Å |
| 887 | C | 65.7 | Low | 66.6 | Low | 46 Ų | 46 | 91.5 Ų | 91.5 | 31% | 0.311 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 174 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | Y883 H889 I890 R891 | Y883-C887 WeakPolarHBondContact CE1-SG 3.37Å; Y883-C887 VanDerWaalsContact CZ-SG 3.52Å; Y883-C887 PolarHBondContact O-N 2.87Å; C887-H889 VanDerWaalsContact C-N 3.34Å; C887-I890 PolarHBondContact O-N 3.04Å; C887-R891 VanDerWaalsContact O-CB 3.3Å; C887-R891 WeakPolarHBondContact O-CB 3.25Å; C887-R891 PolarHBondContact O-N 3.5Å |
| 888 | C | 64 | Low | 64.5 | Low | 46 Ų | 46 | 94.8 Ų | 94.8 | 31% | 0.311 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 173 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | K884 S885 H886 K892 | K884-C888 VanDerWaalsContact O-CB 3.24Å; K884-C888 WeakPolarHBondContact O-CB 3.47Å; K884-C888 PolarHBondContact O-N 3.05Å; S885-C888 PolarHBondContact O-N 3.38Å; H886-C888 VanDerWaalsContact C-N 3.31Å; H886-C888 PolarHBondContact O-N 2.86Å; C888-K892 WeakPolarHBondContact O-CG 3.25Å; C888-K892 PolarHBondContact O-N 2.86Å; C888-K892 VanDerWaalsContact O-N 3.08Å |
| 889 | H | 61.4 | Low | 62.7 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 175.3 | -90.6 | -67.6 | 0 | 0 | 0 | 113.6 | S885 H886 C887 K892 R893 | S885-H889 PolarHBondContact O-CD2 3.41Å; S885-H889 VanDerWaalsContact O-CD2 3.29Å; S885-H889 PolarHBondContact O-N 2.78Å; H886-H889 WeakPolarHBondContact O-CB 3.32Å; H886-H889 PolarHBondContact O-N 3.42Å; H886-H889 VanDerWaalsContact O-N 3.12Å; C887-H889 VanDerWaalsContact C-N 3.34Å; H889-K892 PolarHBondContact O-N 3.32Å; H889-R893 PolarHBondContact O-N 2.84Å; H889-R893 VanDerWaalsContact O-N 3.16Å |
| 890 | I | 59.4 | Low | 60.9 | Low | 71 Ų | 71 | 102.5 Ų | 102.5 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.8 | -67.4 | 167.4 | 0 | 0 | 0 | 110.1 | H886 C887 K892 R893 D894 | H886-I890 WeakPolarHBondContact O-CG1 3.41Å; H886-I890 PolarHBondContact O-N 3.49Å; C887-I890 PolarHBondContact O-N 3.04Å; I890-K892 PolarHBondContact O-N 3.32Å; I890-R893 WeakPolarHBondContact O-CA 3.37Å; I890-R893 WeakPolarHBondContact O-CB 3.44Å; I890-R893 PolarHBondContact O-N 3.18Å; I890-D894 WeakPolarHBondContact CG2-OD2 3.33Å; I890-D894 PolarHBondContact O-N 3.38Å |
| 891 | R | 52 | Low | 59.1 | Low | 134 Ų | 134 | 103.7 Ų | 103.7 | 51% | 0.506 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -28.9 | 178.3 | -167.6 | 172.8 | -179.3 | 157.9 | 3.1 | 113.1 | C887 | C887-R891 VanDerWaalsContact O-CB 3.3Å; C887-R891 WeakPolarHBondContact O-CB 3.25Å; C887-R891 PolarHBondContact O-N 3.5Å |
| 892 | K | 55.8 | Low | 57.1 | Low | 164 Ų | 164 | 107.5 Ų | 107.5 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.9 | -27 | 170.3 | -75.9 | -176.7 | 177.6 | -168 | 0 | 113.5 | C888 H889 I890 | C888-K892 WeakPolarHBondContact O-CG 3.25Å; C888-K892 PolarHBondContact O-N 2.86Å; C888-K892 VanDerWaalsContact O-N 3.08Å; H889-K892 PolarHBondContact O-N 3.32Å; I890-K892 PolarHBondContact O-N 3.32Å |
| 893 | R | 54.4 | Low | 55.3 | Low | 225 Ų | 225 | 111.7 Ų | 111.7 | 85% | 0.849 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -83.3 | -37.9 | 179.3 | -103.5 | -175.3 | 179.4 | 176.2 | -0.6 | 113.3 | H889 I890 G895 | H889-R893 PolarHBondContact O-N 2.84Å; H889-R893 VanDerWaalsContact O-N 3.16Å; I890-R893 WeakPolarHBondContact O-CA 3.37Å; I890-R893 WeakPolarHBondContact O-CB 3.44Å; I890-R893 PolarHBondContact O-N 3.18Å; R893-G895 PolarHBondContact O-N 2.95Å |
| 894 | D | 51.5 | Low | 53.4 | Low | 114 Ų | 114 | 111.6 Ų | 111.6 | 61% | 0.61 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -77.3 | 16.5 | -174.5 | -73 | -16.1 | 0 | 0 | 0 | 114.5 | I890 S896 | I890-D894 WeakPolarHBondContact CG2-OD2 3.33Å; I890-D894 PolarHBondContact O-N 3.38Å; D894-S896 PolarHBondContact O-N 3.14Å |
| 895 | G | 52.3 | Low | 51.4 | Low | 64 Ų | 64 | 108.3 Ų | 108.3 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | trans | 59.3 | 3.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | R893 V897 | R893-G895 PolarHBondContact O-N 2.95Å; G895-V897 PolarHBondContact O-N 3.13Å; G895-V897 VanDerWaalsContact O-N 3.1Å | ||
| 896 | S | 45.9 | Very low | 49.6 | Very low | 87 Ų | 87 | 109.6 Ų | 109.6 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | trans | -83.3 | 22.5 | -174.1 | 49.1 | 0 | 0 | 0 | 0 | 113.9 | D894 | D894-S896 PolarHBondContact O-N 3.14Š| ||
| 897 | V | 45.2 | Very low | 48.2 | Very low | 45 Ų | 45 | 107.5 Ų | 107.5 | 27% | 0.273 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -134.8 | 109.1 | 171.5 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | G895 I901 A905 | G895-V897 PolarHBondContact O-N 3.13Å; G895-V897 VanDerWaalsContact O-N 3.1Å; V897-I901 HydrophobicContact CG1-CB 4.04Å; V897-I901 HydrophobicContact CG1-CG2 4.15Å; V897-A905 HydrophobicContact CG1-CB 4.24Å |
| 898 | P | 41.6 | Very low | 46.5 | Very low | 81 Ų | 81 | 108.4 Ų | 108.4 | 53% | 0.526 | 56% | 0.556 | S | S | . | * | trans | -55 | 142 | 170.1 | -25.2 | 35.3 | 0 | 0 | 0 | 111.8 | D900 I901 | P898-D900 WeakPolarHBondContact CB-OD1 3.42Å; P898-D900 PolarHBondContact O-N 3.42Å; P898-I901 PolarHBondContact O-N 3.05Å | ||
| 899 | E | 49.6 | Very low | 45.2 | Very low | 171 Ų | 171 | 109.3 Ų | 109.3 | 80% | 0.799 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -53.3 | -26.4 | -171.6 | -72.2 | -178.3 | 151.9 | 0 | 0 | 114 | I901 E902 | E899-I901 VanDerWaalsContact C-N 3.26Å; E899-I901 PolarHBondContact O-N 2.94Å; E899-E902 PolarHBondContact O-N 3.49Å |
| 900 | D | 47.1 | Very low | 44.1 | Very low | 140 Ų | 140 | 110.7 Ų | 110.7 | 75% | 0.749 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -72.3 | -12 | 179.2 | 45 | -41.5 | 0 | 0 | 0 | 114.2 | P898 | P898-D900 WeakPolarHBondContact CB-OD1 3.42Å; P898-D900 PolarHBondContact O-N 3.42Å |
| 901 | I | 43.8 | Very low | 42.7 | Very low | 67 Ų | 67 | 113.8 Ų | 113.8 | 34% | 0.344 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -107.3 | 9.3 | 176 | -61.8 | 177.9 | 0 | 0 | 0 | 112.3 | V897 P898 E899 R903 Q904 A905 | V897-I901 HydrophobicContact CG1-CB 4.04Å; V897-I901 HydrophobicContact CG1-CG2 4.15Å; P898-I901 PolarHBondContact O-N 3.05Å; E899-I901 VanDerWaalsContact C-N 3.26Å; E899-I901 PolarHBondContact O-N 2.94Å; I901-R903 PolarHBondContact O-N 3.37Å; I901-R903 VanDerWaalsContact O-N 3.08Å; I901-Q904 HydrophobicContact CG2-CB 3.83Å; I901-Q904 CarbonylContact O-C 3.57Å; I901-Q904 PolarHBondContact O-N 3.46Å; I901-A905 WeakPolarHBondContact O-CB 3.33Å; I901-A905 PolarHBondContact O-N 3.28Å |
| 902 | E | 40.6 | Very low | 42.4 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.9 | -31.4 | 178.8 | -84.3 | -164.3 | 138.2 | 0 | 0 | 114.2 | E899 | E899-E902 PolarHBondContact O-N 3.49Å |
| 903 | R | 40 | Very low | 41.3 | Very low | 233 Ų | 233 | 111.9 Ų | 111.9 | 88% | 0.879 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -82.2 | -22.6 | 176.3 | -67.9 | -173.7 | -167.1 | 176 | 5.6 | 114.2 | I901 S906 | I901-R903 PolarHBondContact O-N 3.37Å; I901-R903 VanDerWaalsContact O-N 3.08Å; R903-S906 PolarHBondContact O-OG 3.02Å |
| 904 | Q | 35.1 | Very low | 40.3 | Very low | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -93.2 | -22.8 | 176.1 | -97.3 | 171.3 | -16.8 | 0 | 0 | 112.3 | I901 S906 S907 N908 | I901-Q904 HydrophobicContact CG2-CB 3.83Å; I901-Q904 CarbonylContact O-C 3.57Å; I901-Q904 PolarHBondContact O-N 3.46Å; Q904-S906 VanDerWaalsContact C-N 3.27Å; Q904-S906 PolarHBondContact O-N 3.15Å; Q904-S907 PolarHBondContact O-N 3.49Å; Q904-S907 PolarHBondContact O-OG 2.84Å; Q904-S907 VanDerWaalsContact O-OG 3.12Å; Q904-N908 WeakPolarHBondContact O-CB 3.36Å; Q904-N908 PolarHBondContact O-N 3.42Å |
| 905 | A | 30.9 | Very low | 39.6 | Very low | 31 Ų | 31 | 106.9 Ų | 106.9 | 26% | 0.256 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -31 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | V897 I901 S907 C909 | V897-A905 HydrophobicContact CG1-CB 4.24Å; I901-A905 WeakPolarHBondContact O-CB 3.33Å; I901-A905 PolarHBondContact O-N 3.28Å; A905-S907 VanDerWaalsContact C-N 3.29Å; A905-S907 PolarHBondContact O-N 3.43Å; A905-C909 PolarHBondContact O-N 3.26Å; A905-C909 PolarHBondContact O-SG 3.22Å |
| 906 | S | 37.2 | Very low | 38.7 | Very low | 89 Ų | 89 | 112.3 Ų | 112.3 | 62% | 0.622 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.9 | -25.2 | 170.2 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | R903 Q904 | R903-S906 PolarHBondContact O-OG 3.02Å; Q904-S906 VanDerWaalsContact C-N 3.27Å; Q904-S906 PolarHBondContact O-N 3.15Å |
| 907 | S | 39.1 | Very low | 38.3 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 49% | 0.49 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -94.5 | -31.9 | 176.1 | 81.3 | 0 | 0 | 0 | 0 | 113.1 | Q904 A905 C909 N910 | Q904-S907 PolarHBondContact O-N 3.49Å; Q904-S907 PolarHBondContact O-OG 2.84Å; Q904-S907 VanDerWaalsContact O-OG 3.12Å; A905-S907 VanDerWaalsContact C-N 3.29Å; A905-S907 PolarHBondContact O-N 3.43Å; S907-C909 VanDerWaalsContact C-N 3.33Å; S907-C909 PolarHBondContact O-N 3.36Å; S907-N910 PolarHBondContact O-N 2.86Å |
| 908 | N | 29.2 | Very low | 38.2 | Very low | 66 Ų | 66 | 114 Ų | 114 | 35% | 0.353 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -75.3 | -14.5 | 179.8 | -86.1 | -27 | 0 | 0 | 0 | 114.3 | Q904 N910 K911 | Q904-N908 WeakPolarHBondContact O-CB 3.36Å; Q904-N908 PolarHBondContact O-N 3.42Å; N908-N910 PolarHBondContact O-N 3.17Å; N908-K911 PolarHBondContact O-N 3.39Å; N908-K911 VanDerWaalsContact O-N 3.15Å; N908-K911 WeakPolarHBondContact OD1-CE 3.2Å |
| 909 | C | 38.2 | Very low | 38 | Very low | 64 Ų | 64 | 113.5 Ų | 113.5 | 43% | 0.432 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -12.2 | 170.5 | -80.3 | 0 | 0 | 0 | 0 | 113.6 | A905 S907 K911 | A905-C909 PolarHBondContact O-N 3.26Å; A905-C909 PolarHBondContact O-SG 3.22Å; S907-C909 VanDerWaalsContact C-N 3.33Å; S907-C909 PolarHBondContact O-N 3.36Å; C909-K911 VanDerWaalsContact C-N 3.34Å |
| 910 | N | 37.6 | Very low | 37.2 | Very low | 145 Ų | 145 | 107.1 Ų | 107.1 | 78% | 0.775 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 9.5 | 172.8 | -78.3 | -19 | 0 | 0 | 0 | 113.8 | S907 N908 | S907-N910 PolarHBondContact O-N 2.86Å; N908-N910 PolarHBondContact O-N 3.17Å |
| 911 | K | 30.6 | Very low | 36.7 | Very low | 136 Ų | 136 | 105.2 Ų | 105.2 | 59% | 0.591 | 55% | 0.553 | S | S | * | * | trans | -72.8 | 132.6 | 175.4 | -79.7 | -171.6 | 177.5 | -178.2 | 0 | 111.6 | N908 C909 E913 | N908-K911 PolarHBondContact O-N 3.39Å; N908-K911 VanDerWaalsContact O-N 3.15Å; N908-K911 WeakPolarHBondContact OD1-CE 3.2Å; C909-K911 VanDerWaalsContact C-N 3.34Å; K911-E913 VanDerWaalsContact C-N 3.28Å; K911-E913 PolarHBondContact O-N 3.19Å; K911-E913 VanDerWaalsContact O-N 3.15Å | ||
| 912 | P | 44.1 | Very low | 36.4 | Very low | 94 Ų | 94 | 105.3 Ų | 105.3 | 61% | 0.61 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -75.7 | 1.6 | -167.2 | 27.9 | -33.9 | 0 | 0 | 0 | 116.1 | N914 H915 | P912-N914 VanDerWaalsContact C-N 3.35Å; P912-N914 PolarHBondContact O-N 3.39Å; P912-H915 WeakPolarHBondContact O-CB 3.48Å; P912-H915 PolarHBondContact O-N 3.28Å |
| 913 | E | 33.6 | Very low | 36.2 | Very low | 165 Ų | 165 | 98.9 Ų | 98.9 | 77% | 0.771 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -70.1 | -24.5 | -171.5 | -73.9 | -177 | 154.9 | 0 | 0 | 114.7 | K911 H915 | K911-E913 VanDerWaalsContact C-N 3.28Å; K911-E913 PolarHBondContact O-N 3.19Å; K911-E913 VanDerWaalsContact O-N 3.15Å; E913-H915 VanDerWaalsContact C-N 3.34Å; E913-H915 PolarHBondContact O-N 3.37Å |
| 914 | N | 34.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 94.2 Ų | 94.2 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -82.7 | -3.8 | 175.2 | -78.8 | -9.6 | 0 | 0 | 0 | 114.6 | P912 K916 | P912-N914 VanDerWaalsContact C-N 3.35Å; P912-N914 PolarHBondContact O-N 3.39Å; N914-K916 PolarHBondContact O-N 3.36Å |
| 915 | H | 36.4 | Very low | 36.2 | Very low | 116 Ų | 116 | 90.4 Ų | 90.4 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -23 | 173.7 | -90.9 | -76.5 | 0 | 0 | 0 | 112.8 | P912 E913 N919 | P912-H915 WeakPolarHBondContact O-CB 3.48Å; P912-H915 PolarHBondContact O-N 3.28Å; E913-H915 VanDerWaalsContact C-N 3.34Å; E913-H915 PolarHBondContact O-N 3.37Å; H915-N919 WeakPolarHBondContact O-CB 3.35Å; H915-N919 PolarHBondContact O-ND2 3.46Å; H915-N919 VanDerWaalsContact O-ND2 3.15Å |
| 916 | K | 32.8 | Very low | 36.7 | Very low | 178 Ų | 178 | 90.3 Ų | 90.3 | 77% | 0.774 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -76.7 | -37.7 | -176.5 | -74.2 | -176.6 | 177 | 178.6 | 0 | 114.2 | N914 G920 | N914-K916 PolarHBondContact O-N 3.36Å; K916-G920 PolarHBondContact O-N 2.98Å |
| 917 | V | 36.8 | Very low | 36.9 | Very low | 106 Ų | 106 | 89.2 Ų | 89.2 | 64% | 0.642 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -76.6 | -34.7 | -171.3 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | G920 T921 | V917-G920 PolarHBondContact O-N 2.96Å; V917-T921 PolarHBondContact O-N 3.12Å; V917-T921 PolarHBondContact O-OG1 3.06Å; V917-T921 VanDerWaalsContact O-OG1 3.12Å |
| 918 | I | 43.1 | Very low | 37 | Very low | 61 Ų | 61 | 88.7 Ų | 88.7 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -81.3 | -35.9 | 179.5 | -57.3 | 168.9 | 0 | 0 | 0 | 111.7 | Y883 G920 T921 L922 | Y883-I918 HydrophobicContact CD1-CD1 3.58Å; Y883-I918 HydrophobicContact CE1-CD1 3.4Å; Y883-I918 VanDerWaalsContact CE1-CD1 3.4Å; Y883-I918 HydrophobicContact CE1-CG1 4.09Å; I918-G920 PolarHBondContact O-N 3.35Å; I918-T921 PolarHBondContact O-N 3.08Å; I918-L922 PolarHBondContact O-N 2.91Å; I918-L922 VanDerWaalsContact O-N 3.09Å |
| 919 | N | 38.2 | Very low | 37.6 | Very low | 72 Ų | 72 | 89.2 Ų | 89.2 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.4 | -30.6 | 171.5 | -76.5 | -4.8 | 0 | 0 | 0 | 110.8 | H915 G923 | H915-N919 WeakPolarHBondContact O-CB 3.35Å; H915-N919 PolarHBondContact O-ND2 3.46Å; H915-N919 VanDerWaalsContact O-ND2 3.15Å; N919-G923 WeakPolarHBondContact O-CA 3.39Å; N919-G923 PolarHBondContact O-N 2.7Å |
| 920 | G | 33.4 | Very low | 37.9 | Very low | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -48.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K916 V917 I918 M924 | K916-G920 PolarHBondContact O-N 2.98Å; V917-G920 PolarHBondContact O-N 2.96Å; I918-G920 PolarHBondContact O-N 3.35Å; G920-M924 WeakPolarHBondContact O-CB 3.47Å; G920-M924 WeakPolarHBondContact O-CG 3.47Å; G920-M924 PolarHBondContact O-N 3.47Å |
| 921 | T | 35.1 | Very low | 38.2 | Very low | 101 Ų | 101 | 86 Ų | 86 | 62% | 0.62 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -79.1 | -41.1 | -172.7 | 23.7 | 0 | 0 | 0 | 0 | 114.1 | V917 I918 M924 G925 | V917-T921 PolarHBondContact O-N 3.12Å; V917-T921 PolarHBondContact O-OG1 3.06Å; V917-T921 VanDerWaalsContact O-OG1 3.12Å; I918-T921 PolarHBondContact O-N 3.08Å; T921-M924 PolarHBondContact O-N 3.32Å; T921-G925 PolarHBondContact O-N 2.74Å |
| 922 | L | 37.9 | Very low | 39.1 | Very low | 68 Ų | 68 | 84.6 Ų | 84.6 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72 | -36.8 | 173 | -152.4 | 89.3 | 0 | 0 | 0 | 110.6 | I918 G925 I926 | I918-L922 PolarHBondContact O-N 2.91Å; I918-L922 VanDerWaalsContact O-N 3.09Å; L922-G925 PolarHBondContact O-N 3.46Å; L922-I926 HydrophobicContact CD2-CD1 4.29Å; L922-I926 HydrophobicContact CG-CD1 4.39Å; L922-I926 WeakPolarHBondContact O-CB 3.31Å; L922-I926 VanDerWaalsContact O-CG1 3.31Å; L922-I926 WeakPolarHBondContact O-CG1 3.11Å; L922-I926 PolarHBondContact O-N 3.43Å |
| 923 | G | 36.9 | Very low | 39 | Very low | 11 Ų | 11 | 84.2 Ų | 84.2 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N919 I926 V927 | N919-G923 WeakPolarHBondContact O-CA 3.39Å; N919-G923 PolarHBondContact O-N 2.7Å; G923-I926 PolarHBondContact O-N 2.72Å; G923-V927 WeakPolarHBondContact O-CB 3.17Å; G923-V927 WeakPolarHBondContact O-CG2 3.46Å; G923-V927 PolarHBondContact O-N 2.76Å |
| 924 | M | 37.2 | Very low | 39.6 | Very low | 135 Ų | 135 | 79.8 Ų | 79.8 | 67% | 0.665 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.7 | -36.3 | 175.6 | -75.9 | -75.1 | -75.3 | 0 | 0 | 112.5 | G920 T921 S928 | G920-M924 WeakPolarHBondContact O-CB 3.47Å; G920-M924 WeakPolarHBondContact O-CG 3.47Å; G920-M924 PolarHBondContact O-N 3.47Å; T921-M924 PolarHBondContact O-N 3.32Å; M924-S928 WeakPolarHBondContact O-CA 3.17Å; M924-S928 WeakPolarHBondContact O-CB 3.35Å; M924-S928 PolarHBondContact O-N 2.72Å |
| 925 | G | 37.2 | Very low | 40.5 | Very low | 37 Ų | 37 | 77.1 Ų | 77.1 | 38% | 0.381 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T921 L922 C929 | T921-G925 PolarHBondContact O-N 2.74Å; L922-G925 PolarHBondContact O-N 3.46Å; G925-C929 WeakPolarHBondContact O-CB 3.06Å; G925-C929 PolarHBondContact O-N 3.43Å; G925-C929 PolarHBondContact O-SG 3.27Å |
| 926 | I | 41.3 | Very low | 41.1 | Very low | 30 Ų | 30 | 73.9 Ų | 73.9 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.9 | -43.3 | 176.5 | -67.1 | 165.9 | 0 | 0 | 0 | 111 | L752 L922 G923 S928 C929 I930 | L752-I926 HydrophobicContact CD1-CD1 4.22Å; L922-I926 HydrophobicContact CD2-CD1 4.29Å; L922-I926 HydrophobicContact CG-CD1 4.39Å; L922-I926 WeakPolarHBondContact O-CB 3.31Å; L922-I926 VanDerWaalsContact O-CG1 3.31Å; L922-I926 WeakPolarHBondContact O-CG1 3.11Å; L922-I926 PolarHBondContact O-N 3.43Å; G923-I926 PolarHBondContact O-N 2.72Å; I926-S928 VanDerWaalsContact C-N 3.27Å; I926-S928 PolarHBondContact O-N 2.79Å; I926-C929 CarbonylContact O-C 3.31Å; I926-C929 WeakPolarHBondContact O-CB 3.45Å; I926-C929 PolarHBondContact O-N 2.79Å; I926-C929 VanDerWaalsContact O-N 3.17Å; I926-I930 HydrophobicContact CG2-CD1 3.72Å; I926-I930 HydrophobicContact CG2-CG1 4.26Å; I926-I930 WeakPolarHBondContact O-CB 3.17Å; I926-I930 VanDerWaalsContact O-CG1 3.22Å; I926-I930 WeakPolarHBondContact O-CG1 3.49Å; I926-I930 PolarHBondContact O-N 3.42Å |
| 927 | V | 43 | Very low | 41.8 | Very low | 65 Ų | 65 | 68 Ų | 68 | 39% | 0.394 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 172.6 | 169.1 | 0 | 0 | 0 | 0 | 109.8 | G923 I930 L931 | G923-V927 WeakPolarHBondContact O-CB 3.17Å; G923-V927 WeakPolarHBondContact O-CG2 3.46Å; G923-V927 PolarHBondContact O-N 2.76Å; V927-I930 CarbonylContact O-C 3.57Å; V927-I930 PolarHBondContact O-N 2.82Å; V927-L931 HydrophobicContact CG1-CD1 3.72Å; V927-L931 HydrophobicContact CG1-CG 4.09Å; V927-L931 WeakPolarHBondContact O-CB 3.31Å; V927-L931 WeakPolarHBondContact O-CG 3.38Å; V927-L931 PolarHBondContact O-N 2.97Å |
| 928 | S | 41 | Very low | 42.4 | Very low | 59 Ų | 59 | 70.9 Ų | 70.9 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 174 | -168.3 | 0 | 0 | 0 | 0 | 111.6 | M924 I926 L931 L932 | M924-S928 WeakPolarHBondContact O-CA 3.17Å; M924-S928 WeakPolarHBondContact O-CB 3.35Å; M924-S928 PolarHBondContact O-N 2.72Å; I926-S928 VanDerWaalsContact C-N 3.27Å; I926-S928 PolarHBondContact O-N 2.79Å; S928-L931 PolarHBondContact O-N 2.69Å; S928-L932 WeakPolarHBondContact O-CB 3.22Å; S928-L932 WeakPolarHBondContact O-CD1 3.01Å; S928-L932 WeakPolarHBondContact O-CG 3.08Å; S928-L932 PolarHBondContact O-N 3.09Å |
| 929 | C | 41.3 | Very low | 42.8 | Very low | 77 Ų | 77 | 73.7 Ų | 73.7 | 52% | 0.52 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 171.1 | -71 | 0 | 0 | 0 | 0 | 112.2 | G925 I926 L932 W933 | G925-C929 WeakPolarHBondContact O-CB 3.06Å; G925-C929 PolarHBondContact O-N 3.43Å; G925-C929 PolarHBondContact O-SG 3.27Å; I926-C929 CarbonylContact O-C 3.31Å; I926-C929 WeakPolarHBondContact O-CB 3.45Å; I926-C929 PolarHBondContact O-N 2.79Å; I926-C929 VanDerWaalsContact O-N 3.17Å; C929-L932 PolarHBondContact O-N 3.16Å; C929-W933 WeakPolarHBondContact O-CB 3.47Å; C929-W933 PolarHBondContact O-N 3.05Å |
| 930 | I | 43.4 | Very low | 43.7 | Very low | 39 Ų | 39 | 73 Ų | 73 | 20% | 0.2 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 175.7 | -70.3 | 167.1 | 0 | 0 | 0 | 109.9 | I926 V927 W933 I934 | I926-I930 HydrophobicContact CG2-CD1 3.72Å; I926-I930 HydrophobicContact CG2-CG1 4.26Å; I926-I930 WeakPolarHBondContact O-CB 3.17Å; I926-I930 VanDerWaalsContact O-CG1 3.22Å; I926-I930 WeakPolarHBondContact O-CG1 3.49Å; I926-I930 PolarHBondContact O-N 3.42Å; V927-I930 CarbonylContact O-C 3.57Å; V927-I930 PolarHBondContact O-N 2.82Å; I930-W933 CarbonylContact O-C 3.59Å; I930-W933 WeakPolarHBondContact O-CB 3.2Å; I930-W933 PolarHBondContact O-N 2.66Å; I930-I934 HydrophobicContact CG2-CD1 3.67Å; I930-I934 HydrophobicContact CG2-CG1 4.27Å; I930-I934 WeakPolarHBondContact O-CB 3.34Å; I930-I934 WeakPolarHBondContact O-CG1 3.29Å; I930-I934 PolarHBondContact O-N 2.76Å |
| 931 | L | 45.6 | Very low | 44.4 | Very low | 104 Ų | 104 | 76 Ų | 76 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 176.8 | -74.2 | 172 | 0 | 0 | 0 | 111.4 | V927 S928 W933 I934 D935 | V927-L931 HydrophobicContact CG1-CD1 3.72Å; V927-L931 HydrophobicContact CG1-CG 4.09Å; V927-L931 WeakPolarHBondContact O-CB 3.31Å; V927-L931 WeakPolarHBondContact O-CG 3.38Å; V927-L931 PolarHBondContact O-N 2.97Å; S928-L931 PolarHBondContact O-N 2.69Å; L931-W933 VanDerWaalsContact C-N 3.27Å; L931-W933 PolarHBondContact O-N 3.03Å; L931-I934 PolarHBondContact O-N 3.21Å; L931-D935 WeakPolarHBondContact O-CB 3.01Å; L931-D935 PolarHBondContact O-N 2.9Å |
| 932 | L | 48.4 | Very low | 44.9 | Very low | 106 Ų | 106 | 72.8 Ų | 72.8 | 56% | 0.555 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.1 | -32.8 | 171.8 | -75.7 | 166.9 | 0 | 0 | 0 | 111.4 | S928 C929 A936 | S928-L932 WeakPolarHBondContact O-CB 3.22Å; S928-L932 WeakPolarHBondContact O-CD1 3.01Å; S928-L932 WeakPolarHBondContact O-CG 3.08Å; S928-L932 PolarHBondContact O-N 3.09Å; C929-L932 PolarHBondContact O-N 3.16Å; L932-A936 WeakPolarHBondContact O-CB 3.38Å; L932-A936 PolarHBondContact O-N 3.36Å |
| 933 | W | 41.3 | Very low | 45.3 | Very low | 85 Ų | 85 | 74 Ų | 74 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.5 | -42.1 | 174.2 | -108.1 | 48.8 | 0 | 0 | 0 | 113.1 | L759 L763 C929 I930 L931 D935 A936 A937 | L759-W933 HydrophobicContact CD2-CE3 3.94Å; L759-W933 HydrophobicContact CD2-CZ3 4.34Å; L759-W933 HydrophobicContact CG-CE3 4.23Å; L759-W933 HydrophobicContact CG-CZ3 4.2Å; L763-W933 HydrophobicContact CD1-CE3 3.62Å; L763-W933 HydrophobicContact CD1-CH2 3.62Å; L763-W933 HydrophobicContact CD1-CZ3 3.03Å; L763-W933 HydrophobicContact CG-CZ3 4.28Å; C929-W933 WeakPolarHBondContact O-CB 3.47Å; C929-W933 PolarHBondContact O-N 3.05Å; I930-W933 CarbonylContact O-C 3.59Å; I930-W933 WeakPolarHBondContact O-CB 3.2Å; I930-W933 PolarHBondContact O-N 2.66Å; L931-W933 VanDerWaalsContact C-N 3.27Å; L931-W933 PolarHBondContact O-N 3.03Å; W933-D935 VanDerWaalsContact C-N 3.26Å; W933-A936 WeakPolarHBondContact O-CB 3.4Å; W933-A936 PolarHBondContact O-N 3.44Å; W933-A937 PolarHBondContact O-N 3.25Å |
| 934 | I | 47.1 | Very low | 45.8 | Very low | 73 Ų | 73 | 80.9 Ų | 80.9 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 171 | -70.7 | 166.6 | 0 | 0 | 0 | 109.1 | I930 L931 A937 R938 | I930-I934 HydrophobicContact CG2-CD1 3.67Å; I930-I934 HydrophobicContact CG2-CG1 4.27Å; I930-I934 WeakPolarHBondContact O-CB 3.34Å; I930-I934 WeakPolarHBondContact O-CG1 3.29Å; I930-I934 PolarHBondContact O-N 2.76Å; L931-I934 PolarHBondContact O-N 3.21Å; I934-A937 CarbonylContact O-C 3.58Å; I934-A937 PolarHBondContact O-N 2.78Å; I934-R938 WeakPolarHBondContact O-CB 3.37Å; I934-R938 WeakPolarHBondContact O-CG 3.31Å; I934-R938 PolarHBondContact O-N 3.28Å |
| 935 | D | 52.3 | Low | 46.5 | Very low | 61 Ų | 61 | 77 Ų | 77 | 33% | 0.326 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 173.9 | -170.8 | 53.4 | 0 | 0 | 0 | 111.4 | L931 W933 R938 K939 | L931-D935 WeakPolarHBondContact O-CB 3.01Å; L931-D935 PolarHBondContact O-N 2.9Å; W933-D935 VanDerWaalsContact C-N 3.26Å; D935-R938 CarbonylContact O-C 3.49Å; D935-R938 PolarHBondContact O-N 2.91Å; D935-K939 VanDerWaalsContact O-CB 3.28Å; D935-K939 WeakPolarHBondContact O-CB 3.19Å; D935-K939 VanDerWaalsContact O-CG 3.28Å; D935-K939 WeakPolarHBondContact O-CG 3.33Å; D935-K939 PolarHBondContact O-N 2.87Å; D935-K939 VanDerWaalsContact OD2-CE 3.23Å; D935-K939 WeakPolarHBondContact OD2-CE 3.49Å; D935-K939 IonicContact OD2-NZ 3.48Å; D935-K939 PolarHBondContact OD2-NZ 2.87Å |
| 936 | A | 50.2 | Low | 46.9 | Very low | 48 Ų | 48 | 80.9 Ų | 80.9 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L932 W933 R938 K939 V940 | L932-A936 WeakPolarHBondContact O-CB 3.38Å; L932-A936 PolarHBondContact O-N 3.36Å; W933-A936 WeakPolarHBondContact O-CB 3.4Å; W933-A936 PolarHBondContact O-N 3.44Å; A936-R938 VanDerWaalsContact C-N 3.33Å; A936-R938 PolarHBondContact O-N 2.71Å; A936-K939 PolarHBondContact O-N 2.67Å; A936-V940 WeakPolarHBondContact O-CG2 3.41Å; A936-V940 PolarHBondContact O-N 3.36Å |
| 937 | A | 47.3 | Very low | 46.9 | Very low | 54 Ų | 54 | 85.3 Ų | 85.3 | 45% | 0.446 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W933 I934 V940 | W933-A937 PolarHBondContact O-N 3.25Å; I934-A937 CarbonylContact O-C 3.58Å; I934-A937 PolarHBondContact O-N 2.78Å; A937-V940 WeakPolarHBondContact O-CB 3.02Å |
| 938 | R | 49.7 | Very low | 47.3 | Very low | 166 Ų | 166 | 85.4 Ų | 85.4 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.6 | -36.7 | 171.8 | -77.9 | -177.7 | -178.9 | -175 | 0.4 | 112.6 | I934 D935 A936 V940 Q941 S942 | I934-R938 WeakPolarHBondContact O-CB 3.37Å; I934-R938 WeakPolarHBondContact O-CG 3.31Å; I934-R938 PolarHBondContact O-N 3.28Å; D935-R938 CarbonylContact O-C 3.49Å; D935-R938 PolarHBondContact O-N 2.91Å; A936-R938 VanDerWaalsContact C-N 3.33Å; A936-R938 PolarHBondContact O-N 2.71Å; R938-V940 VanDerWaalsContact C-N 3.28Å; R938-V940 PolarHBondContact O-N 2.76Å; R938-Q941 CarbonylContact O-C 3.54Å; R938-Q941 VanDerWaalsContact O-CA 3.32Å; R938-Q941 WeakPolarHBondContact O-CA 3.24Å; R938-Q941 WeakPolarHBondContact O-CB 3.41Å; R938-Q941 PolarHBondContact O-N 2.68Å; R938-S942 PolarHBondContact O-N 3.02Å |
| 939 | K | 52.1 | Low | 47.2 | Very low | 120 Ų | 120 | 88.6 Ų | 88.6 | 52% | 0.522 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.9 | -32 | 177.2 | -84.5 | 168.5 | 173.7 | 155.4 | 0 | 112.1 | D935 A936 Q941 S942 V945 | D935-K939 VanDerWaalsContact O-CB 3.28Å; D935-K939 WeakPolarHBondContact O-CB 3.19Å; D935-K939 VanDerWaalsContact O-CG 3.28Å; D935-K939 WeakPolarHBondContact O-CG 3.33Å; D935-K939 PolarHBondContact O-N 2.87Å; D935-K939 VanDerWaalsContact OD2-CE 3.23Å; D935-K939 WeakPolarHBondContact OD2-CE 3.49Å; D935-K939 IonicContact OD2-NZ 3.48Å; D935-K939 PolarHBondContact OD2-NZ 2.87Å; A936-K939 PolarHBondContact O-N 2.67Å; K939-Q941 PolarHBondContact O-N 3.08Å; K939-S942 WeakPolarHBondContact O-CB 3.15Å; K939-S942 PolarHBondContact O-N 3.5Å; K939-S942 PolarHBondContact O-OG 3.49Å; K939-V945 WeakPolarHBondContact O-CG2 3Å |
| 940 | V | 55.1 | Low | 47.3 | Very low | 58 Ų | 58 | 91.8 Ų | 91.8 | 35% | 0.352 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.3 | -28.8 | 167.1 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | A936 A937 R938 | A936-V940 WeakPolarHBondContact O-CG2 3.41Å; A936-V940 PolarHBondContact O-N 3.36Å; A937-V940 WeakPolarHBondContact O-CB 3.02Å; R938-V940 VanDerWaalsContact C-N 3.28Å; R938-V940 PolarHBondContact O-N 2.76Å |
| 941 | Q | 49.2 | Very low | 47 | Very low | 99 Ų | 99 | 100.8 Ų | 100.8 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.3 | 175.1 | -54.9 | 177.9 | -46.4 | 0 | 0 | 114.2 | R938 K939 | R938-Q941 CarbonylContact O-C 3.54Å; R938-Q941 VanDerWaalsContact O-CA 3.32Å; R938-Q941 WeakPolarHBondContact O-CA 3.24Å; R938-Q941 WeakPolarHBondContact O-CB 3.41Å; R938-Q941 PolarHBondContact O-N 2.68Å; K939-Q941 PolarHBondContact O-N 3.08Å |
| 942 | S | 46.2 | Very low | 47.1 | Very low | 33 Ų | 33 | 100.7 Ų | 100.7 | 23% | 0.231 | 51% | 0.512 | C | S | . | . | trans | -64.2 | 133.8 | -177.6 | 71.8 | 0 | 0 | 0 | 0 | 110.2 | R938 K939 Q944 V945 Q946 | R938-S942 PolarHBondContact O-N 3.02Å; K939-S942 WeakPolarHBondContact O-CB 3.15Å; K939-S942 PolarHBondContact O-N 3.5Å; K939-S942 PolarHBondContact O-OG 3.49Å; S942-Q944 PolarHBondContact O-N 2.94Å; S942-V945 PolarHBondContact O-N 3.1Å; S942-V945 VanDerWaalsContact OG-CG2 3.28Å; S942-V945 WeakPolarHBondContact OG-CG2 3.19Å; S942-V945 PolarHBondContact OG-N 2.99Å; S942-Q946 PolarHBondContact O-N 3.24Å | ||
| 943 | P | 46.4 | Very low | 47 | Very low | 95 Ų | 95 | 100.4 Ų | 100.4 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -54.7 | -26.9 | 175.9 | -25.3 | 32 | 0 | 0 | 0 | 112.6 | Q946 Q947 | P943-Q946 PolarHBondContact O-N 2.73Å; P943-Q947 WeakPolarHBondContact O-CB 3.34Å; P943-Q947 WeakPolarHBondContact O-CG 3.42Å; P943-Q947 PolarHBondContact O-N 2.92Å |
| 944 | Q | 46.5 | Very low | 47.3 | Very low | 155 Ų | 155 | 101.2 Ų | 101.2 | 72% | 0.724 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.3 | -37.1 | 175.8 | -68.3 | -176 | -15 | 0 | 0 | 112.9 | S942 A948 | S942-Q944 PolarHBondContact O-N 2.94Å; Q944-A948 VanDerWaalsContact O-CB 3.24Å; Q944-A948 WeakPolarHBondContact O-CB 3.16Å; Q944-A948 PolarHBondContact O-N 3.02Å |
| 945 | V | 51.3 | Low | 47.3 | Very low | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | K939 S942 A948 K949 | K939-V945 WeakPolarHBondContact O-CG2 3Å; S942-V945 PolarHBondContact O-N 3.1Å; S942-V945 VanDerWaalsContact OG-CG2 3.28Å; S942-V945 WeakPolarHBondContact OG-CG2 3.19Å; S942-V945 PolarHBondContact OG-N 2.99Å; V945-A948 PolarHBondContact O-N 2.93Å; V945-K949 PolarHBondContact O-N 3.39Å |
| 946 | Q | 45.9 | Very low | 47 | Very low | 117 Ų | 117 | 105.5 Ų | 105.5 | 55% | 0.547 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 171.1 | -72 | -162.4 | -21 | 0 | 0 | 112.1 | S942 P943 K949 I950 | S942-Q946 PolarHBondContact O-N 3.24Å; P943-Q946 PolarHBondContact O-N 2.73Å; Q946-K949 WeakPolarHBondContact O-CB 3.39Å; Q946-K949 PolarHBondContact O-N 3.02Å; Q946-I950 WeakPolarHBondContact O-CG1 3.36Å; Q946-I950 PolarHBondContact O-N 3.48Å; Q946-I950 VanDerWaalsContact O-N 3.15Å |
| 947 | Q | 42 | Very low | 46.8 | Very low | 124 Ų | 124 | 109.3 Ų | 109.3 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.2 | -33.5 | 174.4 | -82.7 | -176 | -18.6 | 0 | 0 | 113 | P943 K949 I950 K951 | P943-Q947 WeakPolarHBondContact O-CB 3.34Å; P943-Q947 WeakPolarHBondContact O-CG 3.42Å; P943-Q947 PolarHBondContact O-N 2.92Å; Q947-K949 PolarHBondContact O-N 3.25Å; Q947-I950 PolarHBondContact O-N 3.43Å; Q947-K951 PolarHBondContact O-N 3.48Å |
| 948 | A | 50.8 | Low | 46.8 | Very low | 66 Ų | 66 | 113.3 Ų | 113.3 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.6 | -14.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q944 V945 | Q944-A948 VanDerWaalsContact O-CB 3.24Å; Q944-A948 WeakPolarHBondContact O-CB 3.16Å; Q944-A948 PolarHBondContact O-N 3.02Å; V945-A948 PolarHBondContact O-N 2.93Å |
| 949 | K | 38.9 | Very low | 46.6 | Very low | 127 Ų | 127 | 109.2 Ų | 109.2 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -85.2 | -27.8 | 166.3 | -77.2 | 178.9 | 172 | -178.2 | 0 | 112.8 | M537 V945 Q946 Q947 | M537-K949 PolarHBondContact O-NZ 3.11Å; V945-K949 PolarHBondContact O-N 3.39Å; Q946-K949 WeakPolarHBondContact O-CB 3.39Å; Q946-K949 PolarHBondContact O-N 3.02Å; Q947-K949 PolarHBondContact O-N 3.25Å |
| 950 | I | 43.3 | Very low | 46.1 | Very low | 143 Ų | 143 | 108.3 Ų | 108.3 | 73% | 0.733 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -77.4 | -35.3 | 177.7 | -66.9 | 167.2 | 0 | 0 | 0 | 110.5 | Q946 Q947 | Q946-I950 WeakPolarHBondContact O-CG1 3.36Å; Q946-I950 PolarHBondContact O-N 3.48Å; Q946-I950 VanDerWaalsContact O-N 3.15Å; Q947-I950 PolarHBondContact O-N 3.43Å |
| 951 | K | 37.5 | Very low | 45.3 | Very low | 229 Ų | 229 | 112.9 Ų | 112.9 | 100% | 0.996 | 57% | 0.574 | S | S | * | * | trans | -75.8 | 0 | 165.7 | -71.9 | -175.5 | 177 | -178.3 | 0 | 110.6 | Q947 | Q947-K951 PolarHBondContact O-N 3.48Š|
Retrieved 951 of 951 residues in 222.6 ms
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