| 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 | 47.8 | Very low | 79.3 | Confident | 178 Ų | 178 | 89 Ų | 89 | 88% | 0.877 | 47% | 0.474 | S | S | * | . | 0 | 136.8 | 0 | -60.5 | 175.1 | -154.7 | 0 | 0 | 106.7 | F6 | M1-F6 HydrophobicContact SD-CZ 3.87Š| |||
| 2 | S | 46.4 | Very low | 80.5 | Confident | 90 Ų | 90 | 84.7 Ų | 84.7 | 63% | 0.629 | 46% | 0.46 | S | S | * | . | trans | -80.1 | 151.6 | 167.7 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | G4 D5 | S2-G4 PolarHBondContact O-N 2.85Å; S2-D5 PolarHBondContact O-N 2.87Å; S2-D5 VanDerWaalsContact O-N 3.12Å | ||
| 3 | D | 55.3 | Low | 81.5 | Confident | 156 Ų | 156 | 81 Ų | 81 | 83% | 0.834 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -53.6 | -19.9 | 178.7 | -67.5 | -22.3 | 0 | 0 | 0 | 113.5 | D5 | D3-D5 VanDerWaalsContact C-N 3.29Å; D3-D5 PolarHBondContact O-N 3.2Å |
| 4 | G | 69 | Low | 82.4 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -75.6 | -1.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S2 | S2-G4 PolarHBondContact O-N 2.85Š|
| 5 | D | 85.2 | Confident | 83.1 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 17% | 0.171 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -100.4 | 5.7 | 179.7 | -159.1 | 29 | 0 | 0 | 0 | 114.4 | S2 D3 S180 R181 H182 | S2-D5 PolarHBondContact O-N 2.87Å; S2-D5 VanDerWaalsContact O-N 3.12Å; D3-D5 VanDerWaalsContact C-N 3.29Å; D3-D5 PolarHBondContact O-N 3.2Å; D5-S180 CarbonylContact O-C 3.5Å; D5-S180 WeakPolarHBondContact O-CA 3.4Å; D5-S180 WeakPolarHBondContact OD2-CB 3.14Å; D5-R181 VanDerWaalsContact O-CG 3.32Å; D5-R181 WeakPolarHBondContact O-CG 3.34Å; D5-R181 PolarHBondContact O-N 3.48Å; D5-R181 IonicContact OD1-NE 2.71Å; D5-H182 IonicContact OD1-CE1 3.35Å; D5-H182 PolarHBondContact OD1-CE1 3.42Å; D5-H182 IonicContact OD1-CG 2.78Å; D5-H182 IonicContact OD1-ND1 3.01Å; D5-H182 PolarHBondContact OD1-ND1 2.94Å; D5-H182 IonicContact OD2-ND1 3.76Å |
| 6 | F | 92.8 | Very high | 83.9 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 27% | 0.268 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -100.4 | 164.9 | 172 | -65.6 | -72.1 | 0 | 0 | 0 | 111.9 | M1 Q178 R181 | M1-F6 HydrophobicContact SD-CZ 3.87Å; F6-Q178 HydrophobicContact CE1-CB 4.16Å; F6-R181 WeakPolarHBondContact O-CD 3.38Å |
| 7 | I | 95.7 | Very high | 84.6 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 8% | 0.082 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 125.6 | 177.8 | -65.1 | -67.3 | 0 | 0 | 0 | 109.5 | I169 M172 R181 L184 V208 I489 | I7-I169 HydrophobicContact CD1-CD1 3.87Å; I7-I169 HydrophobicContact CD1-CG1 4.1Å; I7-I169 HydrophobicContact CG1-CD1 4.39Å; I7-I169 HydrophobicContact CG1-CG1 4.21Å; I7-I169 HydrophobicContact CG2-CD1 4.35Å; I7-I169 HydrophobicContact CG2-CG2 4.13Å; I7-M172 HydrophobicContact CB-CE 4.43Å; I7-M172 HydrophobicContact CG1-CE 4Å; I7-R181 HydrophobicContact CD1-CG 4.06Å; I7-L184 HydrophobicContact CD1-CD2 3.75Å; I7-L184 HydrophobicContact CG1-CD2 3.97Å; I7-V208 HydrophobicContact CD1-CG1 3.94Å; I7-I489 HydrophobicContact CB-CD1 4.43Å; I7-I489 HydrophobicContact CG2-CD1 3.88Å; I7-I489 HydrophobicContact CG2-CG1 3.92Å |
| 8 | P | 95.1 | Very high | 85.2 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 23% | 0.234 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 143.4 | -177.4 | 27.2 | -35.1 | 0 | 0 | 0 | 111.7 | Y10 P486 A487 G488 I489 | P8-Y10 HydrophobicContact CB-CE1 3.92Å; P8-Y10 HydrophobicContact CG-CE1 4.03Å; P8-Y10 HydrophobicContact CG-CE2 4.15Å; P8-Y10 VanDerWaalsContact CG-OH 3.3Å; P8-Y10 WeakPolarHBondContact CG-OH 3.49Å; P8-P486 HydrophobicContact CG-CG 4.49Å; P8-A487 VanDerWaalsContact CD-O 3.3Å; P8-A487 WeakPolarHBondContact CD-O 3.28Å; P8-A487 VanDerWaalsContact CG-O 3.31Å; P8-A487 WeakPolarHBondContact CG-O 3.15Å; P8-G488 CarbonylContact O-C 3.58Å; P8-G488 VanDerWaalsContact O-CA 3.25Å; P8-G488 WeakPolarHBondContact O-CA 3.23Å; P8-I489 PolarHBondContact O-N 3.16Å |
| 9 | E | 95.3 | Very high | 85.8 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.3 | 165.3 | -65.3 | -165.5 | 165.3 | 0 | 0 | 109.9 | R173 I489 | E9-R173 IonicContact OE1-CZ 3.14Å; E9-R173 IonicContact OE1-NE 2.97Å; E9-R173 IonicContact OE1-NH2 3.45Å; E9-R173 PolarHBondContact OE1-NH2 3.32Å; E9-I489 CarbonylContact C-O 3.54Å; E9-I489 VanDerWaalsContact CA-O 3.29Å; E9-I489 WeakPolarHBondContact CA-O 3.31Å |
| 10 | Y | 94.9 | Very high | 86.4 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 154.1 | 178.6 | -61.4 | -48.8 | 0 | 0 | 0 | 110.6 | P8 P486 I489 M490 | P8-Y10 HydrophobicContact CB-CE1 3.92Å; P8-Y10 HydrophobicContact CG-CE1 4.03Å; P8-Y10 HydrophobicContact CG-CE2 4.15Å; P8-Y10 VanDerWaalsContact CG-OH 3.3Å; P8-Y10 WeakPolarHBondContact CG-OH 3.49Å; Y10-P486 PolarHBondContact OH-O 3.09Å; Y10-I489 PolarHBondContact N-O 3.42Å; Y10-M490 HydrophobicContact CD2-CE 4.07Å |
| 11 | K | 94.7 | Very high | 86.9 | Confident | 193 Ų | 193 | 72.5 Ų | 72.5 | 84% | 0.839 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 141.2 | 163.6 | -65.4 | -173.9 | -179.5 | -177.9 | 0 | 109.3 | T13 | K11-T13 PolarHBondContact O-N 3.05Š|
| 12 | A | 93.9 | Very high | 89.2 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 127.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | I17 I492 | A12-I17 HydrophobicContact CB-CD1 4.42Å; A12-I17 HydrophobicContact CB-CG1 4.08Å; A12-I492 HydrophobicContact CB-CD1 3.73Å |
| 13 | T | 93.2 | Very high | 91.7 | Very high | 37 Ų | 37 | 62.6 Ų | 62.6 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 164.4 | 172.3 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | K11 I15 A16 I17 M490 | K11-T13 PolarHBondContact O-N 3.05Å; T13-I15 PolarHBondContact O-N 3.26Å; T13-A16 PolarHBondContact O-N 3.46Å; T13-A16 PolarHBondContact OG1-N 3.29Å; T13-I17 WeakPolarHBondContact O-CG1 3.48Å; T13-I17 PolarHBondContact O-N 2.91Å; T13-M490 HydrophobicContact CG2-CE 4.07Å; T13-M490 HydrophobicContact CG2-SD 4.18Å |
| 14 | D | 94.3 | Very high | 93.6 | Very high | 140 Ų | 140 | 60.3 Ų | 60.3 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -55.1 | -38.1 | 175.8 | -60.3 | -23.4 | 0 | 0 | 0 | 112.2 | I17 K18 | D14-I17 PolarHBondContact O-N 3.41Å; D14-K18 WeakPolarHBondContact O-CB 3.35Å; D14-K18 PolarHBondContact O-N 3.26Å |
| 15 | I | 93.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 64.8 Ų | 64.8 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 173.2 | -69.6 | 172.4 | 0 | 0 | 0 | 111.4 | T13 K18 L19 Y65 Y148 | T13-I15 PolarHBondContact O-N 3.26Å; I15-K18 PolarHBondContact O-N 3.06Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 PolarHBondContact O-N 3.45Å; I15-Y65 HydrophobicContact CG2-CD1 3.87Å; I15-Y65 HydrophobicContact CG2-CD2 4.1Å; I15-Y65 HydrophobicContact CG2-CE1 3.86Å; I15-Y65 HydrophobicContact CG2-CE2 4.1Å; I15-Y65 HydrophobicContact CG2-CG 3.97Å; I15-Y148 WeakPolarHBondContact CG2-O 3.19Å |
| 16 | A | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.6 | -35.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | T13 S20 V34 M490 I492 | T13-A16 PolarHBondContact O-N 3.46Å; T13-A16 PolarHBondContact OG1-N 3.29Å; A16-S20 VanDerWaalsContact O-CB 3.28Å; A16-S20 WeakPolarHBondContact O-CB 3.36Å; A16-S20 PolarHBondContact O-N 3.45Å; A16-V34 HydrophobicContact CB-CB 4.06Å; A16-V34 HydrophobicContact CB-CG1 4Å; A16-V34 HydrophobicContact CB-CG2 4.18Å; A16-M490 HydrophobicContact CB-CB 4.37Å; A16-M490 HydrophobicContact CB-SD 3.5Å; A16-M490 WeakPolarHBondContact CB-SD 3.19Å; A16-I492 HydrophobicContact CB-CD1 4.05Å |
| 17 | I | 96.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 35% | 0.354 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.4 | -51.7 | 173.8 | -64 | 167.2 | 0 | 0 | 0 | 109.7 | A12 T13 D14 L19 S20 D21 | A12-I17 HydrophobicContact CB-CD1 4.42Å; A12-I17 HydrophobicContact CB-CG1 4.08Å; T13-I17 WeakPolarHBondContact O-CG1 3.48Å; T13-I17 PolarHBondContact O-N 2.91Å; D14-I17 PolarHBondContact O-N 3.41Å; I17-L19 VanDerWaalsContact C-N 3.29Å; I17-L19 PolarHBondContact O-N 3.44Å; I17-S20 WeakPolarHBondContact O-CB 3.32Å; I17-S20 PolarHBondContact O-N 2.87Å; I17-S20 VanDerWaalsContact O-N 3.08Å; I17-D21 PolarHBondContact O-N 2.84Å |
| 18 | K | 96.1 | Very high | 95.6 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.6 | -42.9 | 176.9 | -169 | -167.5 | 172 | -166.8 | 0 | 111.8 | D14 I15 D21 E22 E147 Y148 | D14-K18 WeakPolarHBondContact O-CB 3.35Å; D14-K18 PolarHBondContact O-N 3.26Å; I15-K18 PolarHBondContact O-N 3.06Å; K18-D21 PolarHBondContact O-N 3.34Å; K18-E22 PolarHBondContact O-N 3.35Å; K18-E147 IonicContact NZ-OE2 3.98Å; K18-E147 PolarHBondContact NZ-OE2 2.84Å; K18-Y148 HydrophobicContact CB-CD1 4.47Å; K18-Y148 HydrophobicContact CB-CE1 4.06Å; K18-Y148 HydrophobicContact CD-CD1 4.22Å; K18-Y148 HydrophobicContact CD-CE1 3.7Å; K18-Y148 HydrophobicContact CG-CD1 4.45Å; K18-Y148 HydrophobicContact CG-CE1 3.7Å |
| 19 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.1 | -30.1 | -179.9 | -170.7 | 61 | 0 | 0 | 0 | 112.9 | I15 I17 F23 V34 S67 T84 L142 Y148 | I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 PolarHBondContact O-N 3.45Å; I17-L19 VanDerWaalsContact C-N 3.29Å; I17-L19 PolarHBondContact O-N 3.44Å; L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 PolarHBondContact O-N 2.98Å; L19-V34 HydrophobicContact CD2-CG1 4.37Å; L19-S67 PolarHBondContact O-OG 3.35Å; L19-T84 HydrophobicContact CD1-CG2 4.26Å; L19-L142 HydrophobicContact CD1-CD2 3.95Å; L19-L142 HydrophobicContact CD1-CG 4.15Å; L19-Y148 HydrophobicContact CB-CD1 3.66Å; L19-Y148 HydrophobicContact CB-CE1 3.86Å; L19-Y148 HydrophobicContact CD1-CD1 3.82Å; L19-Y148 HydrophobicContact CD1-CD2 4.45Å; L19-Y148 HydrophobicContact CD1-CE1 3.83Å; L19-Y148 HydrophobicContact CD1-CG 4.12Å; L19-Y148 HydrophobicContact CG-CD1 4.24Å; L19-Y148 HydrophobicContact CG-CE1 4.45Å |
| 20 | S | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 173 | 176 | 0 | 0 | 0 | 0 | 112 | A16 I17 F23 H24 C31 | A16-S20 VanDerWaalsContact O-CB 3.28Å; A16-S20 WeakPolarHBondContact O-CB 3.36Å; A16-S20 PolarHBondContact O-N 3.45Å; I17-S20 WeakPolarHBondContact O-CB 3.32Å; I17-S20 PolarHBondContact O-N 2.87Å; I17-S20 VanDerWaalsContact O-N 3.08Å; S20-F23 WeakPolarHBondContact O-CB 3.4Å; S20-F23 PolarHBondContact O-N 2.82Å; S20-H24 PolarHBondContact O-N 3.26Å; S20-H24 VanDerWaalsContact O-N 3.09Å; S20-C31 VanDerWaalsContact OG-CB 3.26Å; S20-C31 WeakPolarHBondContact OG-CB 3.42Å |
| 21 | D | 96.8 | Very high | 95.4 | Very high | 102 Ų | 102 | 64.9 Ų | 64.9 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.3 | -66.2 | -21 | 0 | 0 | 0 | 110.7 | I17 K18 F23 H24 H25 | I17-D21 PolarHBondContact O-N 2.84Å; K18-D21 PolarHBondContact O-N 3.34Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.5Å; D21-H24 WeakPolarHBondContact O-CB 3.37Å; D21-H24 PolarHBondContact O-N 3.31Å; D21-H24 VanDerWaalsContact O-N 3.17Å; D21-H25 PolarHBondContact O-N 3.49Å |
| 22 | E | 97.1 | Very high | 95.5 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.1 | -171.5 | 56.1 | -140.1 | 0 | 0 | 112.3 | K18 H24 H25 T26 T84 L142 | K18-E22 PolarHBondContact O-N 3.35Å; E22-H24 VanDerWaalsContact C-N 3.34Å; E22-H24 PolarHBondContact O-N 3.29Å; E22-H25 PolarHBondContact O-N 2.91Å; E22-H25 IonicContact OE1-CD2 3.67Å; E22-T26 WeakPolarHBondContact O-CB 3.28Å; E22-T26 PolarHBondContact O-N 3.49Å; E22-T26 PolarHBondContact O-OG1 3.02Å; E22-T26 PolarHBondContact OE1-OG1 2.88Å; E22-T84 HydrophobicContact CG-CG2 3.91Å; E22-L142 HydrophobicContact CB-CD2 4.05Å; E22-L142 HydrophobicContact CG-CD2 3.76Å |
| 23 | F | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 172.4 | -179.7 | -79.8 | 0 | 0 | 0 | 111.2 | L19 S20 D21 H25 T26 F27 E29 C31 S67 G69 N140 L142 | L19-F23 WeakPolarHBondContact O-CB 3.42Å; L19-F23 PolarHBondContact O-N 2.98Å; S20-F23 WeakPolarHBondContact O-CB 3.4Å; S20-F23 PolarHBondContact O-N 2.82Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.5Å; F23-H25 VanDerWaalsContact C-N 3.33Å; F23-H25 PolarHBondContact O-N 2.92Å; F23-T26 PolarHBondContact O-N 2.97Å; F23-F27 HydrophobicContact CD1-CD2 4.13Å; F23-F27 AromaticContact CD2-CD2 3.54Å; F23-F27 HydrophobicContact CD2-CD2 3.54Å; F23-F27 AromaticContact CD2-CE2 3.67Å; F23-F27 HydrophobicContact CD2-CE2 3.67Å; F23-F27 HydrophobicContact CE1-CB 4.4Å; F23-F27 HydrophobicContact CE1-CD2 4.05Å; F23-F27 AromaticContact CE2-CD2 3.46Å; F23-F27 HydrophobicContact CE2-CD2 3.46Å; F23-F27 VanDerWaalsContact CE2-CD2 3.46Å; F23-F27 AromaticContact CE2-CE2 3.56Å; F23-F27 HydrophobicContact CE2-CE2 3.56Å; F23-F27 AromaticContact CG-CD2 3.89Å; F23-F27 HydrophobicContact CG-CD2 3.89Å; F23-F27 HydrophobicContact CG-CE2 4.42Å; F23-F27 AromaticContact CZ-CD2 3.72Å; F23-F27 HydrophobicContact CZ-CD2 3.72Å; F23-F27 HydrophobicContact CZ-CE2 4.23Å; F23-F27 HydrophobicContact CZ-CG 4.43Å; F23-F27 PolarHBondContact O-N 3.1Å; F23-E29 HydrophobicContact CE1-CB 4.22Å; F23-C31 HydrophobicContact CB-CB 4.13Å; F23-C31 HydrophobicContact CD1-CB 3.69Å; F23-C31 HydrophobicContact CE1-CB 4.29Å; F23-C31 HydrophobicContact CG-CB 3.95Å; F23-S67 WeakPolarHBondContact CB-OG 3.28Å; F23-S67 WeakPolarHBondContact CD2-OG 3.4Å; F23-G69 VanDerWaalsContact CZ-N 3.34Å; F23-N140 HydrophobicContact CE2-CB 3.87Å; F23-N140 HydrophobicContact CZ-CB 3.64Å; F23-L142 HydrophobicContact CB-CD2 4.26Å; F23-L142 HydrophobicContact CD2-CB 4.03Å |
| 24 | H | 96.7 | Very high | 96 | Very high | 107 Ų | 107 | 55.2 Ų | 55.2 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.6 | -175.7 | 59.2 | 0 | 0 | 0 | 111.5 | S20 D21 E22 T26 G28 E29 | S20-H24 PolarHBondContact O-N 3.26Å; S20-H24 VanDerWaalsContact O-N 3.09Å; D21-H24 WeakPolarHBondContact O-CB 3.37Å; D21-H24 PolarHBondContact O-N 3.31Å; D21-H24 VanDerWaalsContact O-N 3.17Å; E22-H24 VanDerWaalsContact C-N 3.34Å; E22-H24 PolarHBondContact O-N 3.29Å; H24-T26 PolarHBondContact O-N 3.17Å; H24-G28 WeakPolarHBondContact O-CA 3.32Å; H24-G28 PolarHBondContact O-N 3.4Å; H24-E29 WeakPolarHBondContact CA-O 3.4Å; H24-E29 PolarHBondContact ND1-O 2.95Å |
| 25 | H | 96.7 | Very high | 96.1 | Very high | 149 Ų | 149 | 48.5 Ų | 48.5 | 69% | 0.69 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 174.4 | -174.6 | 62.8 | 0 | 0 | 0 | 112.6 | D21 E22 F23 | D21-H25 PolarHBondContact O-N 3.49Å; E22-H25 PolarHBondContact O-N 2.91Å; E22-H25 IonicContact OE1-CD2 3.67Å; F23-H25 VanDerWaalsContact C-N 3.33Å; F23-H25 PolarHBondContact O-N 2.92Å |
| 26 | T | 96.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 46 Ų | 46 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.9 | -41 | -174.3 | -70 | 0 | 0 | 0 | 0 | 113.1 | E22 F23 H24 R82 L142 | E22-T26 WeakPolarHBondContact O-CB 3.28Å; E22-T26 PolarHBondContact O-N 3.49Å; E22-T26 PolarHBondContact O-OG1 3.02Å; E22-T26 PolarHBondContact OE1-OG1 2.88Å; F23-T26 PolarHBondContact O-N 2.97Å; H24-T26 PolarHBondContact O-N 3.17Å; T26-R82 HydrophobicContact CG2-CB 4.43Å; T26-R82 HydrophobicContact CG2-CG 4.49Å; T26-R82 VanDerWaalsContact CG2-NH1 3.32Å; T26-R82 PolarHBondContact O-NH1 3.09Å; T26-L142 HydrophobicContact CG2-CD1 4.44Å |
| 27 | F | 96 | Very high | 96.4 | Very high | 35 Ų | 35 | 46 Ų | 46 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -109.3 | -16.8 | -173.1 | -65.9 | -67.2 | 0 | 0 | 0 | 114.3 | F23 E29 V80 R82 N140 L142 | F23-F27 HydrophobicContact CD1-CD2 4.13Å; F23-F27 AromaticContact CD2-CD2 3.54Å; F23-F27 HydrophobicContact CD2-CD2 3.54Å; F23-F27 AromaticContact CD2-CE2 3.67Å; F23-F27 HydrophobicContact CD2-CE2 3.67Å; F23-F27 HydrophobicContact CE1-CB 4.4Å; F23-F27 HydrophobicContact CE1-CD2 4.05Å; F23-F27 AromaticContact CE2-CD2 3.46Å; F23-F27 HydrophobicContact CE2-CD2 3.46Å; F23-F27 VanDerWaalsContact CE2-CD2 3.46Å; F23-F27 AromaticContact CE2-CE2 3.56Å; F23-F27 HydrophobicContact CE2-CE2 3.56Å; F23-F27 AromaticContact CG-CD2 3.89Å; F23-F27 HydrophobicContact CG-CD2 3.89Å; F23-F27 HydrophobicContact CG-CE2 4.42Å; F23-F27 AromaticContact CZ-CD2 3.72Å; F23-F27 HydrophobicContact CZ-CD2 3.72Å; F23-F27 HydrophobicContact CZ-CE2 4.23Å; F23-F27 HydrophobicContact CZ-CG 4.43Å; F23-F27 PolarHBondContact O-N 3.1Å; F27-E29 HydrophobicContact CB-CB 4.45Å; F27-E29 PolarHBondContact O-N 3.06Å; F27-V80 HydrophobicContact CE1-CB 4.26Å; F27-V80 HydrophobicContact CE1-CG1 3.73Å; F27-R82 HydrophobicContact CE1-CG 4.11Å; F27-R82 HydrophobicContact CZ-CB 4.11Å; F27-R82 HydrophobicContact CZ-CG 4.01Å; F27-N140 HydrophobicContact CD1-CB 4.02Å; F27-N140 WeakPolarHBondContact CD1-OD1 3.47Å; F27-N140 HydrophobicContact CD2-CB 3.98Å; F27-N140 HydrophobicContact CE1-CB 4Å; F27-N140 HydrophobicContact CE2-CB 3.92Å; F27-N140 HydrophobicContact CG-CB 4.01Å; F27-N140 HydrophobicContact CZ-CB 3.95Å; F27-L142 HydrophobicContact CE2-CB 3.83Å |
| 28 | G | 94.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 74.8 | 0.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H24 | H24-G28 WeakPolarHBondContact O-CA 3.32Å; H24-G28 PolarHBondContact O-N 3.4Å |
| 29 | E | 92.4 | Very high | 96.3 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -106.2 | 160.7 | -175.6 | -66.6 | -59.1 | 156.7 | 0 | 0 | 111.8 | F23 H24 F27 S72 | F23-E29 HydrophobicContact CE1-CB 4.22Å; H24-E29 WeakPolarHBondContact CA-O 3.4Å; H24-E29 PolarHBondContact ND1-O 2.95Å; F27-E29 HydrophobicContact CB-CB 4.45Å; F27-E29 PolarHBondContact O-N 3.06Å; E29-S72 WeakPolarHBondContact OE1-CB 3.08Å; E29-S72 PolarHBondContact OE1-OG 3.12Å |
| 30 | K | 93.5 | Very high | 96.3 | Very high | 130 Ų | 130 | 38.6 Ų | 38.6 | 57% | 0.565 | 20% | 0.203 | S | C | * | . | trans | -75.9 | 128.8 | 173.7 | -172.2 | 177.2 | 177.9 | 177 | 0 | 110 | S32 Q493 | K30-S32 PolarHBondContact O-N 3.32Å; K30-Q493 PolarHBondContact NZ-OXT 3.46Å | ||
| 31 | C | 96.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | trans | -63 | 128.8 | 167.7 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | S20 F23 F33 | S20-C31 VanDerWaalsContact OG-CB 3.26Å; S20-C31 WeakPolarHBondContact OG-CB 3.42Å; F23-C31 HydrophobicContact CB-CB 4.13Å; F23-C31 HydrophobicContact CD1-CB 3.69Å; F23-C31 HydrophobicContact CE1-CB 4.29Å; F23-C31 HydrophobicContact CG-CB 3.95Å; C31-F33 PolarHBondContact SG-O 3.42Å; C31-F33 VanDerWaalsContact SG-O 3.41Å | ||
| 32 | S | 96.7 | Very high | 96.3 | Very high | 50 Ų | 50 | 33.2 Ų | 33.2 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | trans | -82.9 | -43.6 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | K30 V68 P70 | K30-S32 PolarHBondContact O-N 3.32Å; S32-V68 WeakPolarHBondContact CB-O 3.28Å; S32-V68 PolarHBondContact N-O 2.96Å; S32-P70 WeakPolarHBondContact OG-CD 3.47Å | ||
| 33 | F | 98.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.057 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164 | 164 | 177.4 | 56.9 | -91 | 0 | 0 | 0 | 110.1 | C31 V35 V68 A170 R173 I174 I489 M490 | C31-F33 PolarHBondContact SG-O 3.42Å; C31-F33 VanDerWaalsContact SG-O 3.41Å; F33-V35 HydrophobicContact CD2-CG2 3.81Å; F33-V35 HydrophobicContact CE2-CG2 3.64Å; F33-V68 HydrophobicContact CD2-CB 4.41Å; F33-V68 HydrophobicContact CE1-CB 4.48Å; F33-V68 HydrophobicContact CE1-CG1 4.45Å; F33-V68 HydrophobicContact CE2-CB 3.91Å; F33-V68 HydrophobicContact CE2-CG1 4.35Å; F33-V68 HydrophobicContact CE2-CG2 3.99Å; F33-V68 HydrophobicContact CZ-CB 3.95Å; F33-V68 HydrophobicContact CZ-CG1 3.93Å; F33-V68 HydrophobicContact CZ-CG2 4.4Å; F33-V68 PolarHBondContact N-O 3.32Å; F33-V68 PolarHBondContact O-N 3.35Å; F33-A170 HydrophobicContact CE2-CB 4.32Å; F33-R173 HydrophobicContact CD1-CG 4.15Å; F33-R173 HydrophobicContact CD2-CG 4.38Å; F33-R173 HydrophobicContact CE1-CB 4.27Å; F33-R173 HydrophobicContact CE1-CG 3.81Å; F33-R173 HydrophobicContact CE2-CB 4.06Å; F33-R173 HydrophobicContact CE2-CG 4.06Å; F33-R173 HydrophobicContact CG-CG 4.44Å; F33-R173 HydrophobicContact CZ-CB 3.76Å; F33-R173 HydrophobicContact CZ-CG 3.77Å; F33-I174 HydrophobicContact CE1-CB 4.1Å; F33-I174 HydrophobicContact CE1-CD1 4.42Å; F33-I174 HydrophobicContact CZ-CB 4.07Å; F33-I489 HydrophobicContact CB-CG2 4.07Å; F33-I489 HydrophobicContact CD2-CG2 4.08Å; F33-I489 HydrophobicContact CG-CG2 4.25Å; F33-M490 WeakPolarHBondContact CA-O 3.5Å; F33-M490 WeakPolarHBondContact CB-O 3.45Å |
| 34 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 109 | A16 L19 Y65 I66 I489 M490 I492 | A16-V34 HydrophobicContact CB-CB 4.06Å; A16-V34 HydrophobicContact CB-CG1 4Å; A16-V34 HydrophobicContact CB-CG2 4.18Å; L19-V34 HydrophobicContact CD2-CG1 4.37Å; V34-Y65 HydrophobicContact CG1-CD1 4.1Å; V34-I66 CarbonylContact C-O 3.6Å; V34-I66 WeakPolarHBondContact CA-O 3.31Å; V34-I489 CarbonylContact O-C 3.4Å; V34-M490 HydrophobicContact CB-CB 4.38Å; V34-M490 PolarHBondContact N-O 2.85Å; V34-M490 PolarHBondContact O-N 3.42Å; V34-I492 HydrophobicContact CG2-CD1 4.02Å; V34-I492 HydrophobicContact CG2-CG1 3.95Å |
| 35 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.1 | 172.1 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | F33 Y65 I66 A166 I169 A170 I489 | F33-V35 HydrophobicContact CD2-CG2 3.81Å; F33-V35 HydrophobicContact CE2-CG2 3.64Å; V35-Y65 WeakPolarHBondContact O-CA 3.36Å; V35-I66 HydrophobicContact CB-CD1 4.45Å; V35-I66 HydrophobicContact CB-CG1 3.84Å; V35-I66 HydrophobicContact CG2-CG1 4.43Å; V35-I66 PolarHBondContact N-O 3.38Å; V35-I66 PolarHBondContact O-N 3.45Å; V35-A166 HydrophobicContact CG1-CB 4.07Å; V35-I169 HydrophobicContact CB-CG2 4.46Å; V35-I169 HydrophobicContact CG1-CB 3.84Å; V35-I169 HydrophobicContact CG1-CD1 4.13Å; V35-I169 HydrophobicContact CG1-CG2 3.68Å; V35-I169 HydrophobicContact CG2-CB 4.48Å; V35-I169 HydrophobicContact CG2-CG2 3.89Å; V35-A170 HydrophobicContact CG2-CB 4.12Å; V35-I489 HydrophobicContact CG2-CG1 4.46Å |
| 36 | R | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.9 | 169.3 | 178 | -170.6 | 177.4 | -83.9 | -1.9 | 108.6 | L60 E61 A63 V64 Y65 R485 P486 A487 G488 M490 | R36-L60 PolarHBondContact NH2-O 3.22Å; R36-E61 IonicContact CZ-OE1 3.37Å; R36-E61 PolarHBondContact NH2-O 3.47Å; R36-E61 IonicContact NH2-OE1 3.28Å; R36-E61 PolarHBondContact NH2-OE1 2.96Å; R36-E61 IonicContact NH2-OE2 3.2Å; R36-A63 HydrophobicContact CG-CB 3.49Å; R36-A63 VanDerWaalsContact CG-CB 3.49Å; R36-V64 WeakPolarHBondContact CA-O 3.5Å; R36-Y65 HydrophobicContact CB-CD1 4.01Å; R36-Y65 HydrophobicContact CB-CE1 3.74Å; R36-Y65 VanDerWaalsContact CD-OH 3.28Å; R36-Y65 WeakPolarHBondContact CD-OH 3.01Å; R36-Y65 HydrophobicContact CG-CD1 4.27Å; R36-Y65 HydrophobicContact CG-CE1 3.71Å; R36-Y65 HydrophobicContact CG-CE2 4.09Å; R36-Y65 PolarHBondContact NE-OH 2.87Å; R36-R485 PolarHBondContact NH1-O 3.16Å; R36-P486 PolarHBondContact NH1-O 3.06Å; R36-A487 CarbonylContact O-C 3.58Å; R36-A487 WeakPolarHBondContact O-CA 3.29Å; R36-A487 WeakPolarHBondContact O-CB 2.83Å; R36-G488 PolarHBondContact N-O 2.85Å; R36-G488 PolarHBondContact O-N 3.27Å; R36-M490 HydrophobicContact CB-CE 4.01Å |
| 37 | A | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A63 V64 A162 V165 A166 A487 | A37-A63 CarbonylContact O-C 3.58Å; A37-A63 VanDerWaalsContact O-CA 3.29Å; A37-A63 WeakPolarHBondContact O-CA 3.42Å; A37-A63 VanDerWaalsContact O-CB 3.31Å; A37-A63 WeakPolarHBondContact O-CB 3.32Å; A37-V64 PolarHBondContact N-O 2.8Å; A37-V64 PolarHBondContact O-N 2.96Å; A37-A162 HydrophobicContact CB-CB 4.44Å; A37-A162 WeakPolarHBondContact CB-O 3.44Å; A37-V165 HydrophobicContact CB-CB 4.16Å; A37-V165 HydrophobicContact CB-CG1 3.82Å; A37-A166 HydrophobicContact CB-CB 3.77Å; A37-A487 HydrophobicContact CB-CB 4.15Å |
| 38 | P | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 150.9 | -179 | 32.2 | -37.1 | 0 | 0 | 0 | 111.4 | A59 L60 A63 S207 R485 | P38-A59 HydrophobicContact CB-CB 4.17Å; P38-A59 HydrophobicContact CG-CB 4.06Å; P38-L60 WeakPolarHBondContact CB-O 3.33Å; P38-A63 HydrophobicContact CB-CB 4.44Å; P38-S207 WeakPolarHBondContact CD-OG 3.46Å; P38-S207 WeakPolarHBondContact O-CB 3.47Å; P38-S207 PolarHBondContact O-OG 3.32Å; P38-R485 WeakPolarHBondContact CG-O 3.44Å |
| 39 | G | 95.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -172.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A59 L60 Q62 L151 L157 | G39-A59 WeakPolarHBondContact O-CA 3.39Å; G39-L60 PolarHBondContact O-N 2.98Å; G39-Q62 PolarHBondContact N-O 3.3Å; G39-L151 VanDerWaalsContact CA-CD1 3.42Å; G39-L157 WeakPolarHBondContact CA-O 3.46Å |
| 40 | R | 96 | Very high | 96.6 | Very high | 8 Ų | 8 | 11.7 Ų | 11.7 | 3% | 0.03 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.8 | 175.1 | 66.3 | 81.9 | -172.9 | 160.5 | -6.5 | 111.4 | N42 M58 L157 M202 D203 A206 | R40-N42 VanDerWaalsContact NH1-CB 3.26Å; R40-M58 VanDerWaalsContact CA-O 3.31Å; R40-M58 WeakPolarHBondContact CA-O 3.32Å; R40-M58 WeakPolarHBondContact CB-O 3.24Å; R40-L157 PolarHBondContact N-O 3.49Å; R40-L157 VanDerWaalsContact N-O 3.15Å; R40-L157 CarbonylContact O-C 3.6Å; R40-L157 WeakPolarHBondContact O-CA 3.31Å; R40-M202 VanDerWaalsContact NH2-CE 3.27Å; R40-D203 IonicContact CZ-OD1 3.94Å; R40-D203 IonicContact NE-OD1 3.56Å; R40-D203 PolarHBondContact NE-OD1 3.27Å; R40-D203 IonicContact NH2-OD1 3.69Å; R40-D203 PolarHBondContact NH2-OD1 3.03Å; R40-A206 HydrophobicContact CB-CB 3.69Å; R40-A206 HydrophobicContact CG-CB 3.98Å |
| 41 | V | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.7 | 161.3 | 60 | 0 | 0 | 0 | 0 | 108.4 | L43 P57 M58 L60 I240 T437 V446 | V41-L43 HydrophobicContact CG1-CD2 4.26Å; V41-P57 CarbonylContact O-C 3.6Å; V41-P57 VanDerWaalsContact O-CA 3.26Å; V41-P57 WeakPolarHBondContact O-CA 3.49Å; V41-P57 WeakPolarHBondContact O-CB 3.47Å; V41-M58 HydrophobicContact CG1-CE 3.28Å; V41-M58 HydrophobicContact CG1-CG 3.43Å; V41-M58 VanDerWaalsContact CG1-CG 3.43Å; V41-M58 HydrophobicContact CG1-SD 4.18Å; V41-M58 PolarHBondContact N-O 2.96Å; V41-M58 PolarHBondContact O-N 3.28Å; V41-L60 HydrophobicContact CB-CD2 4.13Å; V41-L60 HydrophobicContact CG1-CD2 3.78Å; V41-I240 HydrophobicContact CB-CG1 4.47Å; V41-I240 HydrophobicContact CG2-CG1 4.22Å; V41-T437 HydrophobicContact CG2-CG2 3.86Å; V41-V446 HydrophobicContact CG2-CB 3.58Å; V41-V446 HydrophobicContact CG2-CG1 4.15Å; V41-V446 HydrophobicContact CG2-CG2 3.67Å |
| 42 | N | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.2 | 177.3 | -170.8 | 24.1 | 0 | 0 | 0 | 109.2 | R40 I44 G45 E46 M202 R435 T437 | R40-N42 VanDerWaalsContact NH1-CB 3.26Å; N42-I44 PolarHBondContact OD1-O 3.08Å; N42-G45 PolarHBondContact ND2-O 3.47Å; N42-E46 PolarHBondContact ND2-N 2.94Å; N42-E46 PolarHBondContact ND2-OE1 3.4Å; N42-M202 HydrophobicContact CB-CE 4.35Å; N42-M202 HydrophobicContact CB-SD 3.96Å; N42-R435 PolarHBondContact O-NH1 3.35Å; N42-T437 PolarHBondContact N-OG1 3.05Å; N42-T437 PolarHBondContact O-OG1 3.32Å; N42-T437 VanDerWaalsContact O-OG1 3.07Å |
| 43 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -39.2 | -177.5 | -49.9 | 177.7 | 0 | 0 | 0 | 110.3 | V41 L56 M58 A215 L232 F238 R435 V446 | V41-L43 HydrophobicContact CG1-CD2 4.26Å; L43-L56 WeakPolarHBondContact CB-O 3.42Å; L43-L56 WeakPolarHBondContact CG-O 3.47Å; L43-L56 PolarHBondContact N-O 2.89Å; L43-L56 VanDerWaalsContact N-O 3.1Å; L43-M58 HydrophobicContact CD2-CE 4.26Å; L43-M58 HydrophobicContact CD2-CG 4.11Å; L43-M58 HydrophobicContact CD2-SD 4.15Å; L43-M58 HydrophobicContact CG-CG 4.49Å; L43-A215 HydrophobicContact CD1-CB 3.82Å; L43-L232 HydrophobicContact CD1-CD1 4.2Å; L43-F238 HydrophobicContact CB-CZ 4.38Å; L43-F238 HydrophobicContact CD1-CE1 4.44Å; L43-F238 HydrophobicContact CD1-CE2 3.72Å; L43-F238 HydrophobicContact CD1-CZ 3.51Å; L43-F238 HydrophobicContact CD2-CD1 3.91Å; L43-F238 HydrophobicContact CD2-CD2 3.97Å; L43-F238 HydrophobicContact CD2-CE1 3.6Å; L43-F238 HydrophobicContact CD2-CE2 3.62Å; L43-F238 HydrophobicContact CD2-CG 4.05Å; L43-F238 HydrophobicContact CD2-CZ 3.39Å; L43-F238 HydrophobicContact CG-CE1 4.42Å; L43-F238 HydrophobicContact CG-CE2 4.28Å; L43-F238 HydrophobicContact CG-CZ 3.92Å; L43-R435 WeakPolarHBondContact O-CD 3.13Å; L43-V446 HydrophobicContact CD2-CG2 4.17Å |
| 44 | I | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 149.6 | 175.9 | -164.9 | 155.8 | 0 | 0 | 0 | 110.6 | N42 L56 R369 V370 F373 L400 | N42-I44 PolarHBondContact OD1-O 3.08Å; I44-L56 HydrophobicContact CG2-CB 3.79Å; I44-L56 HydrophobicContact CG2-CD2 4.07Å; I44-L56 PolarHBondContact O-N 2.96Å; I44-R369 HydrophobicContact CD1-CB 3.67Å; I44-R369 HydrophobicContact CG1-CB 4.28Å; I44-V370 HydrophobicContact CG1-CG2 4.26Å; I44-V370 HydrophobicContact CG2-CG2 4.09Å; I44-F373 HydrophobicContact CB-CD2 4.34Å; I44-F373 HydrophobicContact CD1-CB 4.2Å; I44-F373 HydrophobicContact CD1-CD2 3.87Å; I44-F373 HydrophobicContact CD1-CG 4.4Å; I44-F373 HydrophobicContact CG2-CB 3.81Å; I44-F373 HydrophobicContact CG2-CD1 4.26Å; I44-F373 HydrophobicContact CG2-CD2 4Å; I44-F373 HydrophobicContact CG2-CG 3.77Å; I44-L400 HydrophobicContact CD1-CB 3.92Å |
| 45 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | 104.1 | 45.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N42 V55 E366 | N42-G45 PolarHBondContact ND2-O 3.47Å; G45-V55 WeakPolarHBondContact O-CG1 3.26Å; G45-E366 WeakPolarHBondContact CA-OE1 3.47Å; G45-E366 PolarHBondContact N-OE1 2.83Å | ||
| 46 | E | 96.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 4.2 Ų | 4.2 | 2% | 0.019 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 140.2 | 178.8 | -149.1 | 64.3 | -98.5 | 0 | 0 | 111.8 | N42 I48 H362 E366 R435 L436 T437 G438 | N42-E46 PolarHBondContact ND2-N 2.94Å; N42-E46 PolarHBondContact ND2-OE1 3.4Å; E46-I48 WeakPolarHBondContact O-CG2 3.5Å; E46-I48 PolarHBondContact O-N 3.2Å; E46-H362 PolarHBondContact O-NE2 3.27Å; E46-E366 PolarHBondContact N-OE1 2.72Å; E46-R435 VanDerWaalsContact CB-NH2 3.32Å; E46-R435 IonicContact OE2-CZ 2.71Å; E46-R435 IonicContact OE2-NH1 3.34Å; E46-R435 PolarHBondContact OE2-NH1 3.36Å; E46-R435 IonicContact OE2-NH2 2.6Å; E46-R435 PolarHBondContact OE2-NH2 3.1Å; E46-L436 HydrophobicContact CG-CD1 4.14Å; E46-T437 WeakPolarHBondContact OE2-CA 3.37Å; E46-G438 VanDerWaalsContact OE1-O 3.09Å; E46-G438 PolarHBondContact OE2-N 3.1Å; E46-G438 VanDerWaalsContact OE2-N 3.09Å |
| 47 | H | 95.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 1% | 0.009 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 17.6 | 172.8 | -68.7 | -77.9 | 0 | 0 | 0 | 116.5 | Y50 N51 Y255 Y412 A439 | H47-Y50 HydrophobicContact CB-CE1 4.19Å; H47-Y50 VanDerWaalsContact CB-OH 3.26Å; H47-Y50 WeakPolarHBondContact CB-OH 3.28Å; H47-Y50 AromaticContact ND1-CE1 3.82Å; H47-Y50 AromaticContact ND1-CZ 3.75Å; H47-Y50 PolarHBondContact ND1-OH 3.49Å; H47-Y50 WeakPolarHBondContact O-CE2 3.3Å; H47-Y50 VanDerWaalsContact O-CZ 3.29Å; H47-N51 PolarHBondContact O-ND2 3.37Å; H47-Y255 AromaticContact CE1-CD2 3.71Å; H47-Y255 AromaticContact CE1-CE2 3.67Å; H47-Y255 AromaticContact ND1-CE2 3.76Å; H47-Y412 HydrophobicContact CB-CD1 3.97Å; H47-Y412 HydrophobicContact CB-CE1 3.33Å; H47-Y412 HydrophobicContact CB-CE2 4.23Å; H47-Y412 VanDerWaalsContact CB-CZ 3.46Å; H47-Y412 AromaticContact CD2-CD1 3.45Å; H47-Y412 VanDerWaalsContact CD2-CD1 3.45Å; H47-Y412 WeakPolarHBondContact CD2-CD1 3.33Å; H47-Y412 AromaticContact CD2-CE1 3.42Å; H47-Y412 VanDerWaalsContact CD2-CE1 3.42Å; H47-Y412 WeakPolarHBondContact CD2-CE1 3.47Å; H47-Y412 AromaticContact CE1-CE1 3.83Å; H47-Y412 AromaticContact CG-CD1 3.68Å; H47-Y412 AromaticContact CG-CE1 3.14Å; H47-Y412 AromaticContact CG-CZ 3.83Å; H47-Y412 AromaticContact ND1-CE1 3.42Å; H47-Y412 WeakPolarHBondContact ND1-CE1 3.47Å; H47-Y412 AromaticContact NE2-CD1 3.9Å; H47-Y412 AromaticContact NE2-CE1 3.85Å; H47-A439 PolarHBondContact CE1-O 3.39Å; H47-A439 PolarHBondContact NE2-O 3.03Å; H47-A439 VanDerWaalsContact NE2-O 3.13Å |
| 48 | I | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -107.8 | -9 | 179.2 | 69.7 | 176.2 | 0 | 0 | 0 | 114.3 | E46 N51 G52 Y53 P54 V55 V363 E366 A367 V370 | E46-I48 WeakPolarHBondContact O-CG2 3.5Å; E46-I48 PolarHBondContact O-N 3.2Å; I48-N51 CarbonylContact O-C 3.5Å; I48-N51 WeakPolarHBondContact O-CA 3.38Å; I48-N51 WeakPolarHBondContact O-CB 3.5Å; I48-N51 PolarHBondContact O-N 3.15Å; I48-G52 PolarHBondContact O-N 2.94Å; I48-Y53 PolarHBondContact O-N 3.3Å; I48-Y53 VanDerWaalsContact O-N 3.12Å; I48-P54 WeakPolarHBondContact CD1-O 3.2Å; I48-V55 HydrophobicContact CD1-CG1 4.43Å; I48-V55 HydrophobicContact CG1-CG1 3.74Å; I48-V363 HydrophobicContact CB-CG1 4.34Å; I48-V363 HydrophobicContact CG2-CB 4.13Å; I48-V363 HydrophobicContact CG2-CG1 3.94Å; I48-V363 HydrophobicContact CG2-CG2 4.13Å; I48-E366 HydrophobicContact CD1-CB 4.47Å; I48-E366 HydrophobicContact CD1-CG 4.06Å; I48-E366 HydrophobicContact CG2-CB 3.85Å; I48-E366 HydrophobicContact CG2-CG 3.97Å; I48-A367 HydrophobicContact CD1-CB 4.2Å; I48-V370 HydrophobicContact CD1-CG2 3.8Å | ||
| 49 | D | 95.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 4.4 Ų | 4.4 | 3% | 0.032 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -50.4 | 179.4 | 61.6 | -27.8 | 0 | 0 | 0 | 112.1 | N51 G52 V55 G200 M202 F220 | D49-N51 PolarHBondContact O-N 3.39Å; D49-N51 VanDerWaalsContact O-N 3.15Å; D49-G52 PolarHBondContact O-N 3.1Å; D49-V55 HydrophobicContact CB-CG1 3.93Å; D49-G200 WeakPolarHBondContact OD2-CA 3.26Å; D49-G200 PolarHBondContact OD2-N 3.44Å; D49-M202 HydrophobicContact CB-CB 4.02Å; D49-M202 WeakPolarHBondContact OD2-CB 3.28Å; D49-M202 PolarHBondContact OD2-N 3.21Å; D49-F220 HydrophobicContact CB-CD2 4.06Å; D49-F220 HydrophobicContact CB-CE1 4.36Å; D49-F220 HydrophobicContact CB-CE2 3.32Å; D49-F220 HydrophobicContact CB-CZ 3.5Å |
| 50 | Y | 94.5 | Very high | 96.7 | Very high | 30 Ų | 30 | 4.4 Ų | 4.4 | 12% | 0.118 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -7.5 | 171.6 | 53.8 | -99.4 | 0 | 0 | 0 | 113.5 | H47 Y255 V259 Y412 | H47-Y50 HydrophobicContact CB-CE1 4.19Å; H47-Y50 VanDerWaalsContact CB-OH 3.26Å; H47-Y50 WeakPolarHBondContact CB-OH 3.28Å; H47-Y50 AromaticContact ND1-CE1 3.82Å; H47-Y50 AromaticContact ND1-CZ 3.75Å; H47-Y50 PolarHBondContact ND1-OH 3.49Å; H47-Y50 WeakPolarHBondContact O-CE2 3.3Å; H47-Y50 VanDerWaalsContact O-CZ 3.29Å; Y50-Y255 HydrophobicContact CD1-CE1 4.5Å; Y50-Y255 VanDerWaalsContact CD1-OH 3.3Å; Y50-Y255 WeakPolarHBondContact CD1-OH 3.16Å; Y50-Y255 HydrophobicContact CE1-CE1 4.17Å; Y50-Y255 HydrophobicContact CE1-CE2 4.29Å; Y50-Y255 AromaticContact CE1-CZ 3.63Å; Y50-Y255 WeakPolarHBondContact CE1-OH 3.41Å; Y50-V259 HydrophobicContact CD1-CG2 4.26Å; Y50-V259 HydrophobicContact CD2-CB 4.42Å; Y50-V259 HydrophobicContact CD2-CG1 4.19Å; Y50-V259 HydrophobicContact CD2-CG2 3.9Å; Y50-V259 HydrophobicContact CE1-CG2 4.04Å; Y50-V259 HydrophobicContact CE2-CB 4.25Å; Y50-V259 HydrophobicContact CE2-CG1 4.5Å; Y50-V259 HydrophobicContact CE2-CG2 3.67Å; Y50-V259 HydrophobicContact CG-CG2 4.16Å; Y50-Y412 PolarHBondContact OH-OH 2.92Å |
| 51 | N | 96.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.011 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.9 | 169.9 | -78.2 | -68.9 | 0 | 0 | 0 | 113.6 | H47 I48 D49 Y53 C262 C289 L290 S291 V363 | H47-N51 PolarHBondContact O-ND2 3.37Å; I48-N51 CarbonylContact O-C 3.5Å; I48-N51 WeakPolarHBondContact O-CA 3.38Å; I48-N51 WeakPolarHBondContact O-CB 3.5Å; I48-N51 PolarHBondContact O-N 3.15Å; D49-N51 PolarHBondContact O-N 3.39Å; D49-N51 VanDerWaalsContact O-N 3.15Å; N51-Y53 HydrophobicContact CB-CD2 4.12Å; N51-C262 PolarHBondContact ND2-SG 2.88Å; N51-C262 VanDerWaalsContact ND2-SG 3.36Å; N51-C262 VanDerWaalsContact OD1-CB 3.31Å; N51-C262 WeakPolarHBondContact OD1-CB 3.38Å; N51-C289 PolarHBondContact O-SG 3.04Å; N51-L290 HydrophobicContact CB-CB 4.37Å; N51-L290 WeakPolarHBondContact OD1-CD1 3.17Å; N51-S291 WeakPolarHBondContact O-CB 3.1Å; N51-S291 PolarHBondContact O-N 2.92Å; N51-V363 HydrophobicContact CB-CG1 3.62Å; N51-V363 HydrophobicContact CB-CG2 4.47Å; N51-V363 WeakPolarHBondContact ND2-CG2 3.3Å |
| 52 | G | 94.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 10.8 Ų | 10.8 | 21% | 0.206 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 23.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | I48 D49 S291 | I48-G52 PolarHBondContact O-N 2.94Å; D49-G52 PolarHBondContact O-N 3.1Å; G52-S291 WeakPolarHBondContact O-CB 3.46Å; G52-S291 PolarHBondContact O-OG 3.21Å; G52-S291 VanDerWaalsContact O-OG 3.07Å |
| 53 | Y | 97.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 10.8 Ų | 10.8 | 3% | 0.027 | 6% | 0.056 | C | C | . | . | trans | -110.1 | 153.9 | 176.9 | -74.1 | -66 | 0 | 0 | 0 | 112.1 | I48 N51 F220 L290 S291 Q294 P302 V363 Y364 A367 | I48-Y53 PolarHBondContact O-N 3.3Å; I48-Y53 VanDerWaalsContact O-N 3.12Å; N51-Y53 HydrophobicContact CB-CD2 4.12Å; Y53-F220 WeakPolarHBondContact O-CD2 3.42Å; Y53-F220 WeakPolarHBondContact O-CE2 3.26Å; Y53-L290 HydrophobicContact CE2-CB 4.26Å; Y53-S291 WeakPolarHBondContact OH-CA 3.45Å; Y53-Q294 VanDerWaalsContact CE1-OE1 3.25Å; Y53-Q294 WeakPolarHBondContact OH-CB 3.5Å; Y53-Q294 PolarHBondContact OH-OE1 3.31Å; Y53-P302 HydrophobicContact CD1-CG 4.25Å; Y53-P302 HydrophobicContact CE1-CB 4.3Å; Y53-P302 HydrophobicContact CE1-CG 3.72Å; Y53-V363 HydrophobicContact CD2-CG1 3.62Å; Y53-V363 HydrophobicContact CE2-CG1 3.72Å; Y53-Y364 HydrophobicContact CE2-CD1 4.12Å; Y53-Y364 HydrophobicContact CE2-CE1 4.16Å; Y53-Y364 AromaticContact CZ-CD1 3.93Å; Y53-Y364 AromaticContact CZ-CE1 3.98Å; Y53-Y364 VanDerWaalsContact OH-CD1 3.25Å; Y53-Y364 WeakPolarHBondContact OH-CD1 3.35Å; Y53-Y364 WeakPolarHBondContact OH-CE1 3.1Å; Y53-A367 HydrophobicContact CD1-CB 3.62Å; Y53-A367 HydrophobicContact CD2-CB 4.13Å; Y53-A367 HydrophobicContact CE1-CB 4.14Å; Y53-A367 HydrophobicContact CG-CB 3.62Å | ||
| 54 | P | 97.4 | Very high | 96 | Very high | 9 Ų | 9 | 11.4 Ų | 11.4 | 6% | 0.058 | 6% | 0.06 | C | C | . | . | trans | -67.3 | 153.1 | 179.4 | 26.4 | -32.4 | 0 | 0 | 0 | 112.5 | I48 M217 I218 E219 V370 F371 | I48-P54 WeakPolarHBondContact CD1-O 3.2Å; P54-M217 HydrophobicContact CB-CE 3.97Å; P54-M217 HydrophobicContact CB-SD 3.88Å; P54-M217 HydrophobicContact CG-CE 4.08Å; P54-I218 CarbonylContact C-O 3.48Å; P54-I218 WeakPolarHBondContact CA-O 3.41Å; P54-I218 WeakPolarHBondContact CB-O 3.37Å; P54-E219 HydrophobicContact CB-CG 3.92Å; P54-V370 HydrophobicContact CB-CG1 4.38Å; P54-V370 HydrophobicContact CG-CG1 4.39Å; P54-F371 HydrophobicContact CG-CD1 4.39Å; P54-F371 HydrophobicContact CG-CE1 3.66Å; P54-F371 HydrophobicContact CG-CE2 4.04Å; P54-F371 HydrophobicContact CG-CZ 3.45Å; P54-F371 VanDerWaalsContact CG-CZ 3.45Å | ||
| 55 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | B | Isolated β-bridge | trans | -129 | 158.8 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | G45 I48 D49 P57 M202 I218 F220 | G45-V55 WeakPolarHBondContact O-CG1 3.26Å; I48-V55 HydrophobicContact CD1-CG1 4.43Å; I48-V55 HydrophobicContact CG1-CG1 3.74Å; D49-V55 HydrophobicContact CB-CG1 3.93Å; V55-P57 VanDerWaalsContact C-CD 3.44Å; V55-P57 HydrophobicContact CG2-CG 4.49Å; V55-M202 HydrophobicContact CB-CG 4.37Å; V55-M202 HydrophobicContact CB-SD 3.76Å; V55-M202 HydrophobicContact CG1-SD 4.07Å; V55-M202 HydrophobicContact CG2-CB 3.9Å; V55-M202 HydrophobicContact CG2-CG 3.59Å; V55-M202 HydrophobicContact CG2-SD 3.66Å; V55-I218 HydrophobicContact CG2-CB 3.83Å; V55-I218 HydrophobicContact CG2-CD1 4.37Å; V55-I218 HydrophobicContact CG2-CG1 4.43Å; V55-I218 PolarHBondContact N-O 2.97Å; V55-I218 PolarHBondContact O-N 2.98Å; V55-F220 HydrophobicContact CG1-CE2 4.26Å; V55-F220 HydrophobicContact CG2-CE2 3.77Å; V55-F220 HydrophobicContact CG2-CZ 3.86Å |
| 56 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 72 | -178.1 | -166.1 | 71.1 | 0 | 0 | 0 | 112 | L43 I44 A215 L216 M217 I230 V370 F373 Y374 | L43-L56 WeakPolarHBondContact CB-O 3.42Å; L43-L56 WeakPolarHBondContact CG-O 3.47Å; L43-L56 PolarHBondContact N-O 2.89Å; L43-L56 VanDerWaalsContact N-O 3.1Å; I44-L56 HydrophobicContact CG2-CB 3.79Å; I44-L56 HydrophobicContact CG2-CD2 4.07Å; I44-L56 PolarHBondContact O-N 2.96Å; L56-A215 HydrophobicContact CD1-CB 4.48Å; L56-L216 WeakPolarHBondContact CA-O 3.3Å; L56-M217 HydrophobicContact CD1-CB 3.98Å; L56-M217 HydrophobicContact CD1-SD 4.24Å; L56-I230 HydrophobicContact CD1-CG2 3.95Å; L56-V370 HydrophobicContact CB-CG1 4.27Å; L56-F373 HydrophobicContact CD2-CB 4.45Å; L56-F373 HydrophobicContact CD2-CD1 3.28Å; L56-F373 HydrophobicContact CD2-CE1 3.78Å; L56-F373 HydrophobicContact CD2-CG 4.14Å; L56-Y374 HydrophobicContact CD1-CD2 4.07Å |
| 57 | P | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 173.7 | 172.5 | 36 | -39.9 | 0 | 0 | 0 | 113.1 | V41 V55 M202 A206 L216 I218 | V41-P57 CarbonylContact O-C 3.6Å; V41-P57 VanDerWaalsContact O-CA 3.26Å; V41-P57 WeakPolarHBondContact O-CA 3.49Å; V41-P57 WeakPolarHBondContact O-CB 3.47Å; V55-P57 VanDerWaalsContact C-CD 3.44Å; V55-P57 HydrophobicContact CG2-CG 4.49Å; P57-M202 HydrophobicContact CB-CG 4.41Å; P57-M202 HydrophobicContact CB-SD 4.34Å; P57-M202 HydrophobicContact CG-CG 3.97Å; P57-M202 HydrophobicContact CG-SD 4.31Å; P57-A206 HydrophobicContact CB-CB 4.15Å; P57-A206 HydrophobicContact CG-CB 3.77Å; P57-L216 VanDerWaalsContact CD-O 3.29Å; P57-L216 WeakPolarHBondContact CD-O 3.37Å; P57-L216 PolarHBondContact O-N 2.93Å; P57-I218 HydrophobicContact CG-CD1 3.44Å; P57-I218 VanDerWaalsContact CG-CD1 3.44Å; P57-I218 HydrophobicContact CG-CG1 4.19Å |
| 58 | M | 96.4 | Very high | 96 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.4 | 160 | 64.5 | 179.9 | -169.7 | 0 | 0 | 110.1 | R40 V41 L43 A215 F238 P483 | R40-M58 VanDerWaalsContact CA-O 3.31Å; R40-M58 WeakPolarHBondContact CA-O 3.32Å; R40-M58 WeakPolarHBondContact CB-O 3.24Å; V41-M58 HydrophobicContact CG1-CE 3.28Å; V41-M58 HydrophobicContact CG1-CG 3.43Å; V41-M58 VanDerWaalsContact CG1-CG 3.43Å; V41-M58 HydrophobicContact CG1-SD 4.18Å; V41-M58 PolarHBondContact N-O 2.96Å; V41-M58 PolarHBondContact O-N 3.28Å; L43-M58 HydrophobicContact CD2-CE 4.26Å; L43-M58 HydrophobicContact CD2-CG 4.11Å; L43-M58 HydrophobicContact CD2-SD 4.15Å; L43-M58 HydrophobicContact CG-CG 4.49Å; M58-A215 HydrophobicContact CB-CB 4.47Å; M58-F238 HydrophobicContact CE-CB 3.69Å; M58-F238 HydrophobicContact CE-CD2 3.47Å; M58-F238 VanDerWaalsContact CE-CD2 3.47Å; M58-F238 HydrophobicContact CE-CE2 4.31Å; M58-F238 HydrophobicContact CE-CG 3.84Å; M58-F238 HydrophobicContact SD-CD2 3.66Å; M58-F238 HydrophobicContact SD-CE2 3.98Å; M58-P483 HydrophobicContact CB-CB 3.94Å; M58-P483 HydrophobicContact CB-CG 4.11Å; M58-P483 HydrophobicContact SD-CB 4.31Å; M58-P483 HydrophobicContact SD-CG 3.74Å |
| 59 | A | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 3% | 0.025 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 147.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P38 G39 A210 G484 | P38-A59 HydrophobicContact CB-CB 4.17Å; P38-A59 HydrophobicContact CG-CB 4.06Å; G39-A59 WeakPolarHBondContact O-CA 3.39Å; A59-A210 HydrophobicContact CB-CB 3.61Å; A59-G484 PolarHBondContact O-N 3.33Å |
| 60 | L | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 159.5 | 171.9 | -65.3 | 172.8 | 0 | 0 | 0 | 110.5 | R36 P38 G39 V41 Q62 L151 L157 F479 S481 | R36-L60 PolarHBondContact NH2-O 3.22Å; P38-L60 WeakPolarHBondContact CB-O 3.33Å; G39-L60 PolarHBondContact O-N 2.98Å; V41-L60 HydrophobicContact CB-CD2 4.13Å; V41-L60 HydrophobicContact CG1-CD2 3.78Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-L151 HydrophobicContact CD1-CD2 3.66Å; L60-L157 HydrophobicContact CD1-CB 3.9Å; L60-L157 HydrophobicContact CD1-CD1 3.98Å; L60-L157 HydrophobicContact CD1-CD2 4.09Å; L60-L157 HydrophobicContact CD1-CG 4.2Å; L60-F479 HydrophobicContact CD2-CE2 4.47Å; L60-S481 VanDerWaalsContact CD2-OG 3.28Å; L60-S481 WeakPolarHBondContact CD2-OG 3.33Å |
| 61 | E | 91.1 | Very high | 96 | Very high | 86 Ų | 86 | 13.4 Ų | 13.4 | 40% | 0.402 | 8% | 0.076 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | -31.3 | 167.3 | -170.7 | 53.8 | -144.7 | 0 | 0 | 111.1 | R36 R485 | R36-E61 IonicContact CZ-OE1 3.37Å; R36-E61 PolarHBondContact NH2-O 3.47Å; R36-E61 IonicContact NH2-OE1 3.28Å; R36-E61 PolarHBondContact NH2-OE1 2.96Å; R36-E61 IonicContact NH2-OE2 3.2Å; E61-R485 IonicContact OE1-NE 2.6Å; E61-R485 IonicContact OE1-NH2 2.86Å |
| 62 | Q | 91.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 15.6 Ų | 15.6 | 27% | 0.266 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 134.6 | 170 | -62.8 | 80.4 | 8.6 | 0 | 0 | 110.2 | G39 L60 L151 | G39-Q62 PolarHBondContact N-O 3.3Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-L151 HydrophobicContact CB-CD2 3.43Å; Q62-L151 VanDerWaalsContact CB-CD2 3.43Å; Q62-L151 HydrophobicContact CB-CG 3.81Å |
| 63 | A | 94.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R36 A37 P38 Y65 G149 G150 | R36-A63 HydrophobicContact CG-CB 3.49Å; R36-A63 VanDerWaalsContact CG-CB 3.49Å; A37-A63 CarbonylContact O-C 3.58Å; A37-A63 VanDerWaalsContact O-CA 3.29Å; A37-A63 WeakPolarHBondContact O-CA 3.42Å; A37-A63 VanDerWaalsContact O-CB 3.31Å; A37-A63 WeakPolarHBondContact O-CB 3.32Å; P38-A63 HydrophobicContact CB-CB 4.44Å; A63-Y65 HydrophobicContact CB-CD2 4.24Å; A63-Y65 HydrophobicContact CB-CE2 3.77Å; A63-Y65 WeakPolarHBondContact O-CD2 3.42Å; A63-G149 PolarHBondContact N-O 2.84Å; A63-G149 VanDerWaalsContact N-O 3.11Å; A63-G149 VanDerWaalsContact O-O 3.12Å; A63-G150 WeakPolarHBondContact O-CA 3.41Å |
| 64 | V | 95.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 21.5 Ų | 21.5 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.4 | 164 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | R36 A37 I66 V143 A162 F163 A166 | R36-V64 WeakPolarHBondContact CA-O 3.5Å; A37-V64 PolarHBondContact N-O 2.8Å; A37-V64 PolarHBondContact O-N 2.96Å; V64-I66 HydrophobicContact CG1-CG2 3.98Å; V64-V143 HydrophobicContact CG1-CG1 4.28Å; V64-A162 HydrophobicContact CB-CB 4.34Å; V64-A162 HydrophobicContact CG2-CB 3.84Å; V64-F163 HydrophobicContact CG1-CB 4.24Å; V64-F163 HydrophobicContact CG1-CD2 4.03Å; V64-F163 HydrophobicContact CG2-CB 4.38Å; V64-A166 HydrophobicContact CG1-CB 4.37Å |
| 65 | Y | 96.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.4 | 172.5 | -71.5 | -100.4 | 0 | 0 | 0 | 109.4 | I15 V34 V35 R36 A63 G144 Y148 M490 | I15-Y65 HydrophobicContact CG2-CD1 3.87Å; I15-Y65 HydrophobicContact CG2-CD2 4.1Å; I15-Y65 HydrophobicContact CG2-CE1 3.86Å; I15-Y65 HydrophobicContact CG2-CE2 4.1Å; I15-Y65 HydrophobicContact CG2-CG 3.97Å; V34-Y65 HydrophobicContact CG1-CD1 4.1Å; V35-Y65 WeakPolarHBondContact O-CA 3.36Å; R36-Y65 HydrophobicContact CB-CD1 4.01Å; R36-Y65 HydrophobicContact CB-CE1 3.74Å; R36-Y65 VanDerWaalsContact CD-OH 3.28Å; R36-Y65 WeakPolarHBondContact CD-OH 3.01Å; R36-Y65 HydrophobicContact CG-CD1 4.27Å; R36-Y65 HydrophobicContact CG-CE1 3.71Å; R36-Y65 HydrophobicContact CG-CE2 4.09Å; R36-Y65 PolarHBondContact NE-OH 2.87Å; A63-Y65 HydrophobicContact CB-CD2 4.24Å; A63-Y65 HydrophobicContact CB-CE2 3.77Å; A63-Y65 WeakPolarHBondContact O-CD2 3.42Å; Y65-G144 PolarHBondContact O-N 2.99Å; Y65-Y148 WeakPolarHBondContact CD2-O 3.46Å; Y65-Y148 WeakPolarHBondContact CE2-O 3.45Å; Y65-M490 HydrophobicContact CE1-CE 4.16Å |
| 66 | I | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.7 | 172.8 | 67.8 | 176.9 | 0 | 0 | 0 | 110.1 | V34 V35 V64 V68 V141 L142 V143 F163 A166 A170 | V34-I66 CarbonylContact C-O 3.6Å; V34-I66 WeakPolarHBondContact CA-O 3.31Å; V35-I66 HydrophobicContact CB-CD1 4.45Å; V35-I66 HydrophobicContact CB-CG1 3.84Å; V35-I66 HydrophobicContact CG2-CG1 4.43Å; V35-I66 PolarHBondContact N-O 3.38Å; V35-I66 PolarHBondContact O-N 3.45Å; V64-I66 HydrophobicContact CG1-CG2 3.98Å; I66-V68 HydrophobicContact CD1-CG2 4.32Å; I66-V68 HydrophobicContact CG1-CG2 4.18Å; I66-V141 HydrophobicContact CB-CG1 3.99Å; I66-V141 HydrophobicContact CD1-CG1 4.16Å; I66-V141 HydrophobicContact CG2-CG1 4.44Å; I66-L142 CarbonylContact C-O 3.59Å; I66-L142 VanDerWaalsContact CA-O 3.3Å; I66-L142 WeakPolarHBondContact CA-O 3.44Å; I66-V143 HydrophobicContact CG2-CB 4.29Å; I66-V143 HydrophobicContact CG2-CG1 4.16Å; I66-V143 HydrophobicContact CG2-CG2 3.87Å; I66-F163 HydrophobicContact CG2-CD2 4.19Å; I66-F163 HydrophobicContact CG2-CE2 4.05Å; I66-A166 VanDerWaalsContact CD1-C 3.48Å; I66-A166 HydrophobicContact CD1-CB 3.81Å; I66-A166 WeakPolarHBondContact CD1-O 3.45Å; I66-A166 HydrophobicContact CG1-CB 4.08Å; I66-A166 HydrophobicContact CG2-CB 4.4Å; I66-A170 HydrophobicContact CD1-CB 3.77Å |
| 67 | S | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 140 | 169.7 | 47 | 0 | 0 | 0 | 0 | 109.7 | L19 F23 V141 L142 | L19-S67 PolarHBondContact O-OG 3.35Å; F23-S67 WeakPolarHBondContact CB-OG 3.28Å; F23-S67 WeakPolarHBondContact CD2-OG 3.4Å; S67-V141 WeakPolarHBondContact O-CA 3.43Å; S67-L142 PolarHBondContact N-O 2.94Å; S67-L142 PolarHBondContact O-N 2.95Å; S67-L142 WeakPolarHBondContact OG-CB 3.35Å; S67-L142 PolarHBondContact OG-O 3.21Å |
| 68 | V | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.8 | -168 | -174 | 0 | 0 | 0 | 0 | 109.8 | S32 F33 I66 N140 A170 I174 | S32-V68 WeakPolarHBondContact CB-O 3.28Å; S32-V68 PolarHBondContact N-O 2.96Å; F33-V68 HydrophobicContact CD2-CB 4.41Å; F33-V68 HydrophobicContact CE1-CB 4.48Å; F33-V68 HydrophobicContact CE1-CG1 4.45Å; F33-V68 HydrophobicContact CE2-CB 3.91Å; F33-V68 HydrophobicContact CE2-CG1 4.35Å; F33-V68 HydrophobicContact CE2-CG2 3.99Å; F33-V68 HydrophobicContact CZ-CB 3.95Å; F33-V68 HydrophobicContact CZ-CG1 3.93Å; F33-V68 HydrophobicContact CZ-CG2 4.4Å; F33-V68 PolarHBondContact N-O 3.32Å; F33-V68 PolarHBondContact O-N 3.35Å; I66-V68 HydrophobicContact CD1-CG2 4.32Å; I66-V68 HydrophobicContact CG1-CG2 4.18Å; V68-N140 WeakPolarHBondContact CA-O 3.41Å; V68-A170 HydrophobicContact CG2-CB 3.65Å; V68-I174 HydrophobicContact CG1-CD1 3.88Å |
| 69 | G | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 166 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F23 I139 N140 | F23-G69 VanDerWaalsContact CZ-N 3.34Å; G69-I139 WeakPolarHBondContact O-CA 3.49Å; G69-N140 PolarHBondContact N-O 2.85Å; G69-N140 VanDerWaalsContact N-O 3.09Å; G69-N140 PolarHBondContact O-N 2.98Å |
| 70 | P | 95.5 | Very high | 94.3 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 42% | 0.422 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 150.1 | 175.7 | 29 | -34.8 | 0 | 0 | 0 | 110.8 | S32 N140 | S32-P70 WeakPolarHBondContact OG-CD 3.47Å; P70-N140 PolarHBondContact O-ND2 3.28Å; P70-N140 VanDerWaalsContact O-ND2 3.12Å |
| 71 | T | 95.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | trans | -74.8 | 154.3 | 164.6 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | D75 K78 V80 S138 | T71-D75 WeakPolarHBondContact CB-O 3.44Å; T71-D75 HydrophobicContact CG2-CB 4.21Å; T71-D75 WeakPolarHBondContact CG2-O 3.41Å; T71-D75 PolarHBondContact OG1-O 3.07Å; T71-D75 VanDerWaalsContact OG1-O 3.1Å; T71-K78 WeakPolarHBondContact CG2-O 3.22Å; T71-V80 HydrophobicContact CG2-CG2 4.1Å; T71-S138 PolarHBondContact N-O 3.24Å; T71-S138 WeakPolarHBondContact OG1-CB 3.34Å; T71-S138 PolarHBondContact OG1-O 2.84Å | ||
| 72 | S | 91.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | trans | -133.4 | 171.4 | 174.1 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | E29 S74 D75 | E29-S72 WeakPolarHBondContact OE1-CB 3.08Å; E29-S72 PolarHBondContact OE1-OG 3.12Å; S72-S74 PolarHBondContact O-N 3.35Å; S72-D75 PolarHBondContact O-N 2.52Å | ||
| 73 | G | 90.6 | Very high | 95 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 58% | 0.577 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | 57.4 | -127.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | D75 L76 | G73-D75 PolarHBondContact O-N 2.87Å; G73-D75 VanDerWaalsContact O-N 3.14Å; G73-L76 WeakPolarHBondContact O-CD1 3.34Å; G73-L76 WeakPolarHBondContact O-CG 3.35Å; G73-L76 PolarHBondContact O-N 3.44Å |
| 74 | S | 89.1 | Confident | 95 | Very high | 96 Ų | 96 | 35 Ų | 35 | 67% | 0.671 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -70.5 | -2.9 | -176.4 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | S72 K78 | S72-S74 PolarHBondContact O-N 3.35Å; S74-K78 PolarHBondContact O-NZ 2.97Å |
| 75 | D | 91.2 | Very high | 94.9 | Very high | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -114.6 | 11.1 | -176.7 | -65 | -37.8 | 0 | 0 | 0 | 113 | T71 S72 G73 D77 K78 V80 K92 | T71-D75 WeakPolarHBondContact CB-O 3.44Å; T71-D75 HydrophobicContact CG2-CB 4.21Å; T71-D75 WeakPolarHBondContact CG2-O 3.41Å; T71-D75 PolarHBondContact OG1-O 3.07Å; T71-D75 VanDerWaalsContact OG1-O 3.1Å; S72-D75 PolarHBondContact O-N 2.52Å; G73-D75 PolarHBondContact O-N 2.87Å; G73-D75 VanDerWaalsContact O-N 3.14Å; D75-D77 PolarHBondContact O-N 3Å; D75-K78 HydrophobicContact CB-CB 4.43Å; D75-K78 PolarHBondContact O-N 3.22Å; D75-K78 IonicContact OD1-NZ 2.68Å; D75-V80 HydrophobicContact CB-CG2 3.98Å; D75-K92 IonicContact OD1-NZ 3.42Å; D75-K92 PolarHBondContact OD1-NZ 2.88Å; D75-K92 IonicContact OD2-NZ 3.84Å; D75-K92 PolarHBondContact OD2-NZ 3.09Å |
| 76 | L | 89.1 | Confident | 94.5 | Very high | 114 Ų | 114 | 42.4 Ų | 42.4 | 60% | 0.597 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -17.7 | -178.2 | -82 | 167.3 | 0 | 0 | 0 | 115.7 | G73 S138 | G73-L76 WeakPolarHBondContact O-CD1 3.34Å; G73-L76 WeakPolarHBondContact O-CG 3.35Å; G73-L76 PolarHBondContact O-N 3.44Å; L76-S138 WeakPolarHBondContact O-CB 3.41Å; L76-S138 PolarHBondContact O-OG 3.02Å |
| 77 | D | 92.2 | Very high | 94.2 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 21.6 | -179.8 | 66.9 | -25.9 | 0 | 0 | 0 | 113 | D75 I95 S138 | D75-D77 PolarHBondContact O-N 3Å; D77-I95 WeakPolarHBondContact O-CG1 3.13Å; D77-S138 WeakPolarHBondContact CA-OG 3.33Å |
| 78 | K | 97.1 | Very high | 93.9 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 27% | 0.274 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 160.1 | -172.9 | -65.2 | 173.4 | -164 | 148.6 | 0 | 112.6 | T71 S74 D75 I93 S138 I139 | T71-K78 WeakPolarHBondContact CG2-O 3.22Å; S74-K78 PolarHBondContact O-NZ 2.97Å; D75-K78 HydrophobicContact CB-CB 4.43Å; D75-K78 PolarHBondContact O-N 3.22Å; D75-K78 IonicContact OD1-NZ 2.68Å; K78-I93 WeakPolarHBondContact CA-O 3.42Å; K78-S138 CarbonylContact O-C 3.6Å; K78-S138 WeakPolarHBondContact O-CA 3.5Å; K78-S138 WeakPolarHBondContact O-CB 3.17Å; K78-I139 PolarHBondContact O-N 2.91Å |
| 79 | I | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.2 | 164 | -59.6 | 159.3 | 0 | 0 | 0 | 106.2 | L81 K92 I93 I95 A98 F116 Y120 I139 | I79-L81 HydrophobicContact CG2-CD1 4.48Å; I79-L81 HydrophobicContact CG2-CD2 3.71Å; I79-L81 HydrophobicContact CG2-CG 3.94Å; I79-K92 CarbonylContact O-C 3.46Å; I79-K92 WeakPolarHBondContact O-CA 3.43Å; I79-I93 HydrophobicContact CB-CB 4.34Å; I79-I93 PolarHBondContact N-O 3.31Å; I79-I93 PolarHBondContact O-N 2.86Å; I79-I95 HydrophobicContact CD1-CD1 4.2Å; I79-I95 HydrophobicContact CG1-CD1 3.92Å; I79-A98 HydrophobicContact CD1-CB 3.38Å; I79-F116 HydrophobicContact CD1-CE1 4.36Å; I79-F116 HydrophobicContact CG2-CD1 4.12Å; I79-F116 HydrophobicContact CG2-CE1 3.52Å; I79-F116 HydrophobicContact CG2-CZ 4.14Å; I79-Y120 HydrophobicContact CD1-CD1 4.5Å; I79-Y120 HydrophobicContact CD1-CD2 3.61Å; I79-Y120 HydrophobicContact CD1-CE1 4.35Å; I79-Y120 HydrophobicContact CD1-CE2 3.45Å; I79-Y120 VanDerWaalsContact CD1-CE2 3.45Å; I79-Y120 HydrophobicContact CD1-CG 4.15Å; I79-Y120 HydrophobicContact CG1-CE2 4.06Å; I79-I139 WeakPolarHBondContact CA-O 3.12Å; I79-I139 HydrophobicContact CG1-CG1 4.43Å; I79-I139 HydrophobicContact CG2-CG1 4.3Å |
| 80 | V | 98.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 114.8 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | F27 T71 D75 K92 I139 N140 V141 | F27-V80 HydrophobicContact CE1-CB 4.26Å; F27-V80 HydrophobicContact CE1-CG1 3.73Å; T71-V80 HydrophobicContact CG2-CG2 4.1Å; D75-V80 HydrophobicContact CB-CG2 3.98Å; V80-K92 HydrophobicContact CG1-CG 4.1Å; V80-K92 HydrophobicContact CG2-CD 4.48Å; V80-K92 HydrophobicContact CG2-CG 4.18Å; V80-I139 PolarHBondContact N-O 3.41Å; V80-N140 WeakPolarHBondContact CB-OD1 3.44Å; V80-N140 WeakPolarHBondContact O-CA 3.39Å; V80-V141 PolarHBondContact O-N 2.77Å |
| 81 | L | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128 | -177.2 | -55.5 | 176.7 | 0 | 0 | 0 | 109.7 | I79 P90 V91 I93 W112 F113 F116 V141 | I79-L81 HydrophobicContact CG2-CD1 4.48Å; I79-L81 HydrophobicContact CG2-CD2 3.71Å; I79-L81 HydrophobicContact CG2-CG 3.94Å; L81-P90 WeakPolarHBondContact O-CA 3.47Å; L81-V91 PolarHBondContact N-O 3.28Å; L81-V91 PolarHBondContact O-N 3.11Å; L81-I93 HydrophobicContact CD1-CD1 3.78Å; L81-W112 HydrophobicContact CB-CH2 3.64Å; L81-W112 HydrophobicContact CB-CZ2 4.21Å; L81-W112 HydrophobicContact CB-CZ3 4.36Å; L81-F113 HydrophobicContact CD1-CB 3.62Å; L81-F116 HydrophobicContact CD1-CB 3.78Å; L81-F116 HydrophobicContact CD1-CD1 3.89Å; L81-F116 HydrophobicContact CD1-CG 3.81Å; L81-F116 HydrophobicContact CD2-CD1 3.92Å; L81-F116 HydrophobicContact CD2-CD2 3.81Å; L81-F116 HydrophobicContact CD2-CE1 4.07Å; L81-F116 HydrophobicContact CD2-CE2 3.98Å; L81-F116 HydrophobicContact CD2-CG 3.8Å; L81-F116 HydrophobicContact CD2-CZ 4.1Å; L81-F116 HydrophobicContact CG-CD1 4.48Å; L81-F116 HydrophobicContact CG-CG 4.47Å; L81-V141 HydrophobicContact CD2-CB 3.61Å; L81-V141 HydrophobicContact CD2-CG1 4.33Å; L81-V141 HydrophobicContact CD2-CG2 3.83Å |
| 82 | R | 97.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 65 Ų | 65 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 157.6 | 173.3 | -67.9 | -173.7 | 177.1 | -177.9 | 7 | 110.2 | T26 F27 P90 V141 L142 V143 | T26-R82 HydrophobicContact CG2-CB 4.43Å; T26-R82 HydrophobicContact CG2-CG 4.49Å; T26-R82 VanDerWaalsContact CG2-NH1 3.32Å; T26-R82 PolarHBondContact O-NH1 3.09Å; F27-R82 HydrophobicContact CE1-CG 4.11Å; F27-R82 HydrophobicContact CZ-CB 4.11Å; F27-R82 HydrophobicContact CZ-CG 4.01Å; R82-P90 HydrophobicContact CG-CB 4.11Å; R82-V141 PolarHBondContact N-O 3.24Å; R82-L142 HydrophobicContact CB-CD1 3.95Å; R82-L142 CarbonylContact O-C 3.59Å; R82-L142 WeakPolarHBondContact O-CA 3.48Å; R82-V143 PolarHBondContact O-N 2.94Å |
| 83 | S | 95.7 | Very high | 94.2 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.1 | 168.6 | -172.2 | 0 | 0 | 0 | 0 | 109 | D85 V143 | S83-D85 PolarHBondContact OG-N 3.18Å; S83-V143 WeakPolarHBondContact CA-O 3.37Å; S83-V143 PolarHBondContact OG-O 3.26Å |
| 84 | T | 95.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -70.2 | -24.4 | 168.2 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | L19 E22 T86 L142 V143 G144 D145 Y148 | L19-T84 HydrophobicContact CD1-CG2 4.26Å; E22-T84 HydrophobicContact CG-CG2 3.91Å; T84-T86 PolarHBondContact O-N 3.41Å; T84-L142 HydrophobicContact CG2-CD1 3.9Å; T84-L142 HydrophobicContact CG2-CD2 4.08Å; T84-L142 HydrophobicContact CG2-CG 4.13Å; T84-V143 PolarHBondContact N-O 3.4Å; T84-V143 PolarHBondContact OG1-O 3.42Å; T84-V143 VanDerWaalsContact OG1-O 3.1Å; T84-G144 WeakPolarHBondContact OG1-CA 3.48Å; T84-D145 PolarHBondContact OG1-N 2.8Å; T84-Y148 HydrophobicContact CG2-CD2 4.45Å; T84-Y148 HydrophobicContact CG2-CE2 3.73Å |
| 85 | D | 91.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -79.2 | 112.3 | 170.3 | 178.9 | -5.4 | 0 | 0 | 0 | 110.4 | S83 Q87 Y88 D145 | S83-D85 PolarHBondContact OG-N 3.18Å; D85-Q87 PolarHBondContact O-N 3.09Å; D85-Q87 VanDerWaalsContact O-N 3.07Å; D85-Q87 VanDerWaalsContact OD1-CB 3.28Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.37Å; D85-Q87 VanDerWaalsContact OD1-CG 3.3Å; D85-Q87 WeakPolarHBondContact OD1-CG 3.45Å; D85-Q87 PolarHBondContact OD1-N 3.24Å; D85-Y88 HydrophobicContact CB-CD2 3.88Å; D85-Y88 HydrophobicContact CB-CE2 4.25Å; D85-Y88 PolarHBondContact O-N 2.93Å; D85-Y88 WeakPolarHBondContact OD2-CE2 3.33Å; D85-D145 HydrophobicContact CB-CB 3.72Å |
| 86 | T | 89.4 | Confident | 95.2 | Very high | 141 Ų | 141 | 62.5 Ų | 62.5 | 87% | 0.865 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15 | -179 | 61.2 | 0 | 0 | 0 | 0 | 114.8 | T84 Y88 | T84-T86 PolarHBondContact O-N 3.41Å; T86-Y88 PolarHBondContact O-N 2.87Å |
| 87 | Q | 89.6 | Confident | 95.5 | Very high | 163 Ų | 163 | 61.2 Ų | 61.2 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -24.8 | 172.8 | -62.5 | -175.1 | 8.1 | 0 | 0 | 112.4 | D85 | D85-Q87 PolarHBondContact O-N 3.09Å; D85-Q87 VanDerWaalsContact O-N 3.07Å; D85-Q87 VanDerWaalsContact OD1-CB 3.28Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.37Å; D85-Q87 VanDerWaalsContact OD1-CG 3.3Å; D85-Q87 WeakPolarHBondContact OD1-CG 3.45Å; D85-Q87 PolarHBondContact OD1-N 3.24Å |
| 88 | Y | 92.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -94.2 | 109.3 | 178.6 | -63.2 | -63.4 | 0 | 0 | 0 | 110.9 | D85 T86 W112 P153 | D85-Y88 HydrophobicContact CB-CD2 3.88Å; D85-Y88 HydrophobicContact CB-CE2 4.25Å; D85-Y88 PolarHBondContact O-N 2.93Å; D85-Y88 WeakPolarHBondContact OD2-CE2 3.33Å; T86-Y88 PolarHBondContact O-N 2.87Å; Y88-W112 HydrophobicContact CD1-CB 3.68Å; Y88-W112 AromaticContact CD1-CD1 3.63Å; Y88-W112 HydrophobicContact CD1-CD2 4.3Å; Y88-W112 AromaticContact CD1-CG 3.58Å; Y88-W112 HydrophobicContact CD1-CG 3.58Å; Y88-W112 HydrophobicContact CE1-CB 3.9Å; Y88-W112 HydrophobicContact CE1-CG 4.31Å; Y88-W112 HydrophobicContact CG-CD2 4.42Å; Y88-W112 HydrophobicContact CG-CG 4.14Å; Y88-P153 VanDerWaalsContact OH-CB 3.3Å; Y88-P153 WeakPolarHBondContact OH-CB 3.16Å; Y88-P153 WeakPolarHBondContact OH-CG 3.39Å |
| 89 | R | 94.9 | Very high | 95.7 | Very high | 123 Ų | 123 | 55.3 Ų | 55.3 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | trans | -58.7 | 138.1 | 179.1 | 72.6 | -176.1 | -177.1 | 97 | -7.7 | 111.5 | V91 E111 W112 F113 | R89-V91 HydrophobicContact CG-CG2 4.12Å; R89-E111 IonicContact CZ-OE1 2.75Å; R89-E111 IonicContact CZ-OE2 3.46Å; R89-E111 IonicContact NE-OE1 3.01Å; R89-E111 PolarHBondContact NE-OE1 3.44Å; R89-E111 IonicContact NE-OE2 3.87Å; R89-E111 VanDerWaalsContact NH2-CD 3.34Å; R89-E111 IonicContact NH2-OE1 3.88Å; R89-E111 PolarHBondContact NH2-OE1 2.79Å; R89-E111 VanDerWaalsContact NH2-OE1 3.15Å; R89-E111 IonicContact NH2-OE2 3.27Å; R89-E111 PolarHBondContact NH2-OE2 3Å; R89-W112 WeakPolarHBondContact O-CZ2 3.4Å; R89-W112 PolarHBondContact O-NE1 3.48Å; R89-F113 VanDerWaalsContact NH2-CE1 3.33Å | ||
| 90 | P | 97 | Very high | 95.5 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | trans | -59 | 143.8 | 167.5 | -26.5 | 36.3 | 0 | 0 | 0 | 112.2 | L81 R82 | L81-P90 WeakPolarHBondContact O-CA 3.47Å; R82-P90 HydrophobicContact CG-CB 4.11Å | ||
| 91 | V | 97.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.8 | 179 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | L81 R89 I93 F113 | L81-V91 PolarHBondContact N-O 3.28Å; L81-V91 PolarHBondContact O-N 3.11Å; R89-V91 HydrophobicContact CG-CG2 4.12Å; V91-I93 HydrophobicContact CG1-CD1 4.18Å; V91-I93 HydrophobicContact CG1-CG1 3.68Å; V91-F113 HydrophobicContact CB-CD1 4.3Å; V91-F113 HydrophobicContact CB-CG 4.24Å; V91-F113 HydrophobicContact CG1-CD1 4.38Å; V91-F113 HydrophobicContact CG1-CD2 4.08Å; V91-F113 HydrophobicContact CG1-CE1 4.46Å; V91-F113 HydrophobicContact CG1-CE2 4.17Å; V91-F113 HydrophobicContact CG1-CG 4.18Å; V91-F113 HydrophobicContact CG1-CZ 4.38Å; V91-F113 HydrophobicContact CG2-CB 4.44Å; V91-F113 HydrophobicContact CG2-CD1 3.5Å; V91-F113 HydrophobicContact CG2-CE1 3.8Å; V91-F113 HydrophobicContact CG2-CG 3.94Å; V91-F113 HydrophobicContact CG2-CZ 4.48Å |
| 92 | K | 97.7 | Very high | 95.1 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 47% | 0.47 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 168.3 | -64 | -171.3 | 174.4 | -164.1 | 0 | 108.1 | D75 I79 V80 | D75-K92 IonicContact OD1-NZ 3.42Å; D75-K92 PolarHBondContact OD1-NZ 2.88Å; D75-K92 IonicContact OD2-NZ 3.84Å; D75-K92 PolarHBondContact OD2-NZ 3.09Å; I79-K92 CarbonylContact O-C 3.46Å; I79-K92 WeakPolarHBondContact O-CA 3.43Å; V80-K92 HydrophobicContact CG1-CG 4.1Å; V80-K92 HydrophobicContact CG2-CD 4.48Å; V80-K92 HydrophobicContact CG2-CG 4.18Å |
| 93 | I | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.9 | -173.9 | -53.1 | 176.9 | 0 | 0 | 0 | 107.4 | K78 I79 L81 V91 E97 A98 F113 Q117 | K78-I93 WeakPolarHBondContact CA-O 3.42Å; I79-I93 HydrophobicContact CB-CB 4.34Å; I79-I93 PolarHBondContact N-O 3.31Å; I79-I93 PolarHBondContact O-N 2.86Å; L81-I93 HydrophobicContact CD1-CD1 3.78Å; V91-I93 HydrophobicContact CG1-CD1 4.18Å; V91-I93 HydrophobicContact CG1-CG1 3.68Å; I93-E97 HydrophobicContact CG2-CB 3.99Å; I93-E97 HydrophobicContact CG2-CG 4.05Å; I93-A98 HydrophobicContact CG2-CB 4.21Å; I93-F113 HydrophobicContact CD1-CD2 3.69Å; I93-F113 HydrophobicContact CD1-CE2 4.41Å; I93-F113 HydrophobicContact CD1-CG 4.47Å; I93-Q117 HydrophobicContact CD1-CG 3.76Å; I93-Q117 HydrophobicContact CG2-CG 4.42Å |
| 94 | S | 97 | Very high | 94.5 | Very high | 50 Ų | 50 | 69.4 Ų | 69.4 | 35% | 0.35 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 150.4 | 172.6 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | T96 E97 A98 | S94-T96 PolarHBondContact O-N 3.18Å; S94-E97 PolarHBondContact O-N 3.42Å; S94-E97 VanDerWaalsContact OG-CB 3.22Å; S94-E97 WeakPolarHBondContact OG-CB 3.42Å; S94-E97 PolarHBondContact OG-N 3.45Å; S94-E97 VanDerWaalsContact OG-N 3.12Å; S94-A98 PolarHBondContact O-N 2.74Å; S94-A98 VanDerWaalsContact O-N 3.11Å |
| 95 | I | 96.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 175.8 | -64.5 | -70.6 | 0 | 0 | 0 | 111.2 | D77 I79 E97 A98 I99 Y120 P136 P137 | D77-I95 WeakPolarHBondContact O-CG1 3.13Å; I79-I95 HydrophobicContact CD1-CD1 4.2Å; I79-I95 HydrophobicContact CG1-CD1 3.92Å; I95-E97 PolarHBondContact O-N 3.21Å; I95-A98 PolarHBondContact O-N 3.36Å; I95-I99 HydrophobicContact CG2-CG2 4.49Å; I95-I99 WeakPolarHBondContact O-CG1 3.48Å; I95-I99 PolarHBondContact O-N 3.36Å; I95-Y120 WeakPolarHBondContact CD1-OH 3.3Å; I95-P136 HydrophobicContact CG2-CB 3.56Å; I95-P136 HydrophobicContact CG2-CG 4.17Å; I95-P137 WeakPolarHBondContact CD1-O 3.39Å |
| 96 | T | 96.5 | Very high | 93.9 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.7 | -48.4 | 177.3 | -56 | 0 | 0 | 0 | 0 | 111.6 | S94 A98 I99 T100 | S94-T96 PolarHBondContact O-N 3.18Å; T96-A98 VanDerWaalsContact C-N 3.31Å; T96-A98 PolarHBondContact O-N 2.89Å; T96-I99 WeakPolarHBondContact O-CG1 3.49Å; T96-I99 PolarHBondContact O-N 2.84Å; T96-T100 WeakPolarHBondContact O-CG2 3.4Å; T96-T100 PolarHBondContact O-N 3.35Å; T96-T100 PolarHBondContact O-OG1 2.79Å |
| 97 | E | 96.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 65 Ų | 65 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.4 | -174.9 | -169 | 149.1 | 0 | 0 | 112 | I93 S94 I95 T100 F101 Q117 | I93-E97 HydrophobicContact CG2-CB 3.99Å; I93-E97 HydrophobicContact CG2-CG 4.05Å; S94-E97 PolarHBondContact O-N 3.42Å; S94-E97 VanDerWaalsContact OG-CB 3.22Å; S94-E97 WeakPolarHBondContact OG-CB 3.42Å; S94-E97 PolarHBondContact OG-N 3.45Å; S94-E97 VanDerWaalsContact OG-N 3.12Å; I95-E97 PolarHBondContact O-N 3.21Å; E97-T100 PolarHBondContact O-N 3.47Å; E97-F101 PolarHBondContact O-N 3.15Å; E97-F101 VanDerWaalsContact O-N 3.08Å; E97-Q117 PolarHBondContact OE1-NE2 3.48Å |
| 98 | A | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | I79 I93 S94 I95 T96 Y120 | I79-A98 HydrophobicContact CD1-CB 3.38Å; I93-A98 HydrophobicContact CG2-CB 4.21Å; S94-A98 PolarHBondContact O-N 2.74Å; S94-A98 VanDerWaalsContact O-N 3.11Å; I95-A98 PolarHBondContact O-N 3.36Å; T96-A98 VanDerWaalsContact C-N 3.31Å; T96-A98 PolarHBondContact O-N 2.89Å; A98-Y120 HydrophobicContact CB-CD1 3.62Å; A98-Y120 HydrophobicContact CB-CE1 4.03Å; A98-Y120 HydrophobicContact CB-CG 3.89Å |
| 99 | I | 96.1 | Very high | 93 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 20% | 0.195 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.1 | -26.2 | 177.5 | 64 | 177.7 | 0 | 0 | 0 | 112.9 | I95 T96 Y120 R121 K124 W134 | I95-I99 HydrophobicContact CG2-CG2 4.49Å; I95-I99 WeakPolarHBondContact O-CG1 3.48Å; I95-I99 PolarHBondContact O-N 3.36Å; T96-I99 WeakPolarHBondContact O-CG1 3.49Å; T96-I99 PolarHBondContact O-N 2.84Å; I99-Y120 HydrophobicContact CG2-CD1 4.02Å; I99-Y120 HydrophobicContact CG2-CE1 3.61Å; I99-R121 WeakPolarHBondContact O-CD 3.36Å; I99-R121 PolarHBondContact O-NH1 3.02Å; I99-K124 HydrophobicContact CB-CG 4.27Å; I99-K124 HydrophobicContact CG2-CB 4.47Å; I99-K124 HydrophobicContact CG2-CG 4.39Å; I99-W134 HydrophobicContact CG2-CH2 4.28Å; I99-W134 HydrophobicContact CG2-CZ3 4.16Å |
| 100 | T | 95.8 | Very high | 92.7 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -95 | 1.9 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | T96 E97 G102 C103 | T96-T100 WeakPolarHBondContact O-CG2 3.4Å; T96-T100 PolarHBondContact O-N 3.35Å; T96-T100 PolarHBondContact O-OG1 2.79Å; E97-T100 PolarHBondContact O-N 3.47Å; T100-G102 PolarHBondContact O-N 2.88Å; T100-C103 VanDerWaalsContact O-CB 3.26Å; T100-C103 WeakPolarHBondContact O-CB 3.31Å; T100-C103 PolarHBondContact O-N 2.88Å; T100-C103 VanDerWaalsContact O-N 3.09Å |
| 101 | F | 96.1 | Very high | 92.4 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 10% | 0.101 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 134.4 | -179.7 | -176 | -101.7 | 0 | 0 | 0 | 111.6 | E97 C103 P107 H114 Q117 R121 | E97-F101 PolarHBondContact O-N 3.15Å; E97-F101 VanDerWaalsContact O-N 3.08Å; F101-C103 VanDerWaalsContact C-N 3.3Å; F101-C103 PolarHBondContact O-N 2.8Å; F101-P107 HydrophobicContact CE2-CG 4.43Å; F101-P107 HydrophobicContact CZ-CG 4.1Å; F101-H114 HydrophobicContact CE2-CB 4.32Å; F101-H114 HydrophobicContact CZ-CB 3.92Å; F101-Q117 HydrophobicContact CB-CB 4.01Å; F101-Q117 HydrophobicContact CD1-CB 3.86Å; F101-Q117 HydrophobicContact CD2-CB 3.83Å; F101-Q117 HydrophobicContact CD2-CG 4.41Å; F101-Q117 HydrophobicContact CE1-CB 4.3Å; F101-Q117 HydrophobicContact CE2-CB 4.27Å; F101-Q117 HydrophobicContact CG-CB 3.61Å; F101-Q117 HydrophobicContact CZ-CB 4.49Å; F101-R121 HydrophobicContact CB-CB 4.37Å; F101-R121 WeakPolarHBondContact O-CD 3.31Å; F101-R121 WeakPolarHBondContact O-CG 3.47Å |
| 102 | G | 91.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -7.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T100 E104 G105 | T100-G102 PolarHBondContact O-N 2.88Å; G102-E104 VanDerWaalsContact C-N 3.3Å; G102-E104 PolarHBondContact O-N 3.06Å; G102-G105 WeakPolarHBondContact CA-O 3.4Å; G102-G105 PolarHBondContact O-N 3.31Å |
| 103 | C | 90.7 | Very high | 92 | Very high | 82 Ų | 82 | 58 Ų | 58 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -32.5 | 177.4 | -81.8 | 0 | 0 | 0 | 0 | 113.6 | T100 F101 R121 | T100-C103 VanDerWaalsContact O-CB 3.26Å; T100-C103 WeakPolarHBondContact O-CB 3.31Å; T100-C103 PolarHBondContact O-N 2.88Å; T100-C103 VanDerWaalsContact O-N 3.09Å; F101-C103 VanDerWaalsContact C-N 3.3Å; F101-C103 PolarHBondContact O-N 2.8Å; C103-R121 PolarHBondContact SG-NH1 2.76Å |
| 104 | E | 88.5 | Confident | 91.9 | Very high | 205 Ų | 205 | 58.9 Ų | 58.9 | 96% | 0.958 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 8.4 | 179.8 | -61.4 | -176.8 | 172.8 | 0 | 0 | 112.5 | G102 | G102-E104 VanDerWaalsContact C-N 3.3Å; G102-E104 PolarHBondContact O-N 3.06Å |
| 105 | G | 87.2 | Confident | 91.8 | Very high | 42 Ų | 42 | 58 Ų | 58 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | trans | 108.5 | 176.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G102 | G102-G105 WeakPolarHBondContact CA-O 3.4Å; G102-G105 PolarHBondContact O-N 3.31Å | ||
| 106 | S | 87.1 | Confident | 91.8 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | trans | -76 | 148.1 | 175.1 | 55.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 107 | P | 86.6 | Confident | 91.8 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | trans | -62.5 | 140 | 175.9 | 26.9 | -34.5 | 0 | 0 | 0 | 111.7 | F101 S109 H114 I195 | F101-P107 HydrophobicContact CE2-CG 4.43Å; F101-P107 HydrophobicContact CZ-CG 4.1Å; P107-S109 VanDerWaalsContact C-N 3.28Å; P107-S109 PolarHBondContact O-N 3.27Å; P107-H114 WeakPolarHBondContact CG-ND1 3.35Å; P107-I195 HydrophobicContact CG-CG1 3.86Å | ||
| 108 | D | 81.6 | Confident | 91.8 | Very high | 177 Ų | 177 | 48.2 Ų | 48.2 | 95% | 0.947 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -60.9 | -37.2 | 178.6 | -68.7 | -36.4 | 0 | 0 | 0 | 112.6 | ||
| 109 | S | 84.4 | Confident | 91.8 | Very high | 87 Ų | 87 | 48.2 Ų | 48.2 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -125 | 96.9 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | P107 E111 | P107-S109 VanDerWaalsContact C-N 3.28Å; P107-S109 PolarHBondContact O-N 3.27Å; S109-E111 PolarHBondContact O-N 3.17Å |
| 110 | P | 87.8 | Confident | 91.9 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | trans | -55.1 | 116.4 | 173.8 | -31.3 | 39.4 | 0 | 0 | 0 | 113.5 | I195 A250 | P110-I195 HydrophobicContact CB-CD1 3.74Å; P110-I195 HydrophobicContact CB-CG1 3.98Å; P110-I195 HydrophobicContact CG-CD1 4.41Å; P110-I195 HydrophobicContact CG-CG1 4.11Å; P110-A250 HydrophobicContact CB-CB 4.3Å; P110-A250 HydrophobicContact CG-CB 4.17Å | ||
| 111 | E | 90.7 | Very high | 92 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | trans | -98.3 | 166.9 | 169.9 | -66.8 | -167.5 | 76 | 0 | 0 | 111.5 | R89 S109 F113 H114 | R89-E111 IonicContact CZ-OE1 2.75Å; R89-E111 IonicContact CZ-OE2 3.46Å; R89-E111 IonicContact NE-OE1 3.01Å; R89-E111 PolarHBondContact NE-OE1 3.44Å; R89-E111 IonicContact NE-OE2 3.87Å; R89-E111 VanDerWaalsContact NH2-CD 3.34Å; R89-E111 IonicContact NH2-OE1 3.88Å; R89-E111 PolarHBondContact NH2-OE1 2.79Å; R89-E111 VanDerWaalsContact NH2-OE1 3.15Å; R89-E111 IonicContact NH2-OE2 3.27Å; R89-E111 PolarHBondContact NH2-OE2 3Å; S109-E111 PolarHBondContact O-N 3.17Å; E111-F113 VanDerWaalsContact C-N 3.34Å; E111-F113 HydrophobicContact CB-CD1 3.8Å; E111-F113 HydrophobicContact CB-CE1 3.4Å; E111-F113 VanDerWaalsContact CB-CE1 3.4Å; E111-F113 HydrophobicContact CB-CZ 4.06Å; E111-F113 HydrophobicContact CG-CE1 3.99Å; E111-F113 PolarHBondContact O-N 2.65Å; E111-F113 WeakPolarHBondContact OE2-CE1 3.14Å; E111-F113 WeakPolarHBondContact OE2-CZ 3.29Å; E111-H114 PolarHBondContact N-ND1 3.13Å; E111-H114 WeakPolarHBondContact O-CB 3.45Å; E111-H114 PolarHBondContact O-N 3.02Å | ||
| 112 | W | 91.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -39.9 | -174.8 | 75.6 | -86.6 | 0 | 0 | 0 | 113 | L81 Y88 R89 H114 Y115 V143 F163 | L81-W112 HydrophobicContact CB-CH2 3.64Å; L81-W112 HydrophobicContact CB-CZ2 4.21Å; L81-W112 HydrophobicContact CB-CZ3 4.36Å; Y88-W112 HydrophobicContact CD1-CB 3.68Å; Y88-W112 AromaticContact CD1-CD1 3.63Å; Y88-W112 HydrophobicContact CD1-CD2 4.3Å; Y88-W112 AromaticContact CD1-CG 3.58Å; Y88-W112 HydrophobicContact CD1-CG 3.58Å; Y88-W112 HydrophobicContact CE1-CB 3.9Å; Y88-W112 HydrophobicContact CE1-CG 4.31Å; Y88-W112 HydrophobicContact CG-CD2 4.42Å; Y88-W112 HydrophobicContact CG-CG 4.14Å; R89-W112 WeakPolarHBondContact O-CZ2 3.4Å; R89-W112 PolarHBondContact O-NE1 3.48Å; W112-H114 VanDerWaalsContact C-N 3.3Å; W112-H114 PolarHBondContact O-N 2.71Å; W112-Y115 WeakPolarHBondContact O-CD2 3.43Å; W112-Y115 PolarHBondContact O-N 3.08Å; W112-V143 HydrophobicContact CZ3-CG2 3.85Å; W112-F163 AromaticContact CE3-CE1 3.94Å; W112-F163 HydrophobicContact CE3-CE1 3.94Å; W112-F163 HydrophobicContact CE3-CZ 4.08Å; W112-F163 HydrophobicContact CZ3-CE1 4.26Å; W112-F163 AromaticContact CZ3-CZ 3.92Å; W112-F163 HydrophobicContact CZ3-CZ 3.92Å; W112-F163 WeakPolarHBondContact O-CE1 3.31Å |
| 113 | F | 94.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.1 | -178.7 | 64.4 | -88.3 | 0 | 0 | 0 | 113.6 | L81 R89 V91 I93 E111 Y115 F116 Q117 | L81-F113 HydrophobicContact CD1-CB 3.62Å; R89-F113 VanDerWaalsContact NH2-CE1 3.33Å; V91-F113 HydrophobicContact CB-CD1 4.3Å; V91-F113 HydrophobicContact CB-CG 4.24Å; V91-F113 HydrophobicContact CG1-CD1 4.38Å; V91-F113 HydrophobicContact CG1-CD2 4.08Å; V91-F113 HydrophobicContact CG1-CE1 4.46Å; V91-F113 HydrophobicContact CG1-CE2 4.17Å; V91-F113 HydrophobicContact CG1-CG 4.18Å; V91-F113 HydrophobicContact CG1-CZ 4.38Å; V91-F113 HydrophobicContact CG2-CB 4.44Å; V91-F113 HydrophobicContact CG2-CD1 3.5Å; V91-F113 HydrophobicContact CG2-CE1 3.8Å; V91-F113 HydrophobicContact CG2-CG 3.94Å; V91-F113 HydrophobicContact CG2-CZ 4.48Å; I93-F113 HydrophobicContact CD1-CD2 3.69Å; I93-F113 HydrophobicContact CD1-CE2 4.41Å; I93-F113 HydrophobicContact CD1-CG 4.47Å; E111-F113 VanDerWaalsContact C-N 3.34Å; E111-F113 HydrophobicContact CB-CD1 3.8Å; E111-F113 HydrophobicContact CB-CE1 3.4Å; E111-F113 VanDerWaalsContact CB-CE1 3.4Å; E111-F113 HydrophobicContact CB-CZ 4.06Å; E111-F113 HydrophobicContact CG-CE1 3.99Å; E111-F113 PolarHBondContact O-N 2.65Å; E111-F113 WeakPolarHBondContact OE2-CE1 3.14Å; E111-F113 WeakPolarHBondContact OE2-CZ 3.29Å; F113-Y115 PolarHBondContact O-N 2.81Å; F113-F116 WeakPolarHBondContact O-CA 3.29Å; F113-F116 VanDerWaalsContact O-CB 3.27Å; F113-F116 WeakPolarHBondContact O-CB 3.45Å; F113-F116 PolarHBondContact O-N 3.39Å; F113-Q117 PolarHBondContact O-N 2.83Å; F113-Q117 VanDerWaalsContact O-N 3.13Å |
| 114 | H | 94.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -30.3 | 174.3 | -65.8 | 161.1 | 0 | 0 | 0 | 111.3 | F101 P107 E111 W112 F116 Q117 C118 I195 | F101-H114 HydrophobicContact CE2-CB 4.32Å; F101-H114 HydrophobicContact CZ-CB 3.92Å; P107-H114 WeakPolarHBondContact CG-ND1 3.35Å; E111-H114 PolarHBondContact N-ND1 3.13Å; E111-H114 WeakPolarHBondContact O-CB 3.45Å; E111-H114 PolarHBondContact O-N 3.02Å; W112-H114 VanDerWaalsContact C-N 3.3Å; W112-H114 PolarHBondContact O-N 2.71Å; H114-F116 VanDerWaalsContact C-N 3.27Å; H114-F116 PolarHBondContact O-N 3.21Å; H114-Q117 PolarHBondContact CD2-OE1 3.14Å; H114-Q117 VanDerWaalsContact CD2-OE1 3.26Å; H114-Q117 PolarHBondContact O-N 3.34Å; H114-C118 PolarHBondContact O-N 3.06Å; H114-C118 PolarHBondContact O-SG 2.8Å; H114-C118 VanDerWaalsContact O-SG 3.41Å; H114-I195 HydrophobicContact CB-CD1 3.51Å; H114-I195 HydrophobicContact CB-CG1 4.18Å |
| 115 | Y | 95.1 | Very high | 93 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -31.7 | 172.7 | -68.2 | -79 | 0 | 0 | 0 | 112.7 | W112 F113 C118 A119 V164 I195 | W112-Y115 WeakPolarHBondContact O-CD2 3.43Å; W112-Y115 PolarHBondContact O-N 3.08Å; F113-Y115 PolarHBondContact O-N 2.81Å; Y115-C118 WeakPolarHBondContact O-CB 3.46Å; Y115-A119 PolarHBondContact O-N 2.86Å; Y115-V164 HydrophobicContact CD1-CG2 3.87Å; Y115-V164 HydrophobicContact CG-CG2 4.41Å; Y115-I195 HydrophobicContact CD1-CD1 4.3Å; Y115-I195 HydrophobicContact CD2-CD1 4.3Å; Y115-I195 HydrophobicContact CE1-CD1 4.13Å; Y115-I195 HydrophobicContact CE1-CG2 4.35Å; Y115-I195 HydrophobicContact CE2-CD1 4.15Å; Y115-I195 HydrophobicContact CG-CD1 4.38Å |
| 116 | F | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.5 | -45.4 | 171.6 | -173.7 | -84.1 | 0 | 0 | 0 | 111.1 | I79 L81 F113 H114 C118 A119 Y120 I139 V141 F163 S167 I171 | I79-F116 HydrophobicContact CD1-CE1 4.36Å; I79-F116 HydrophobicContact CG2-CD1 4.12Å; I79-F116 HydrophobicContact CG2-CE1 3.52Å; I79-F116 HydrophobicContact CG2-CZ 4.14Å; L81-F116 HydrophobicContact CD1-CB 3.78Å; L81-F116 HydrophobicContact CD1-CD1 3.89Å; L81-F116 HydrophobicContact CD1-CG 3.81Å; L81-F116 HydrophobicContact CD2-CD1 3.92Å; L81-F116 HydrophobicContact CD2-CD2 3.81Å; L81-F116 HydrophobicContact CD2-CE1 4.07Å; L81-F116 HydrophobicContact CD2-CE2 3.98Å; L81-F116 HydrophobicContact CD2-CG 3.8Å; L81-F116 HydrophobicContact CD2-CZ 4.1Å; L81-F116 HydrophobicContact CG-CD1 4.48Å; L81-F116 HydrophobicContact CG-CG 4.47Å; F113-F116 WeakPolarHBondContact O-CA 3.29Å; F113-F116 VanDerWaalsContact O-CB 3.27Å; F113-F116 WeakPolarHBondContact O-CB 3.45Å; F113-F116 PolarHBondContact O-N 3.39Å; H114-F116 VanDerWaalsContact C-N 3.27Å; H114-F116 PolarHBondContact O-N 3.21Å; F116-C118 VanDerWaalsContact C-N 3.29Å; F116-C118 PolarHBondContact O-N 2.95Å; F116-A119 WeakPolarHBondContact O-CB 3.43Å; F116-A119 PolarHBondContact O-N 2.92Å; F116-Y120 AromaticContact CE1-CD2 3.93Å; F116-Y120 HydrophobicContact CE1-CD2 3.93Å; F116-Y120 PolarHBondContact O-N 3.12Å; F116-I139 HydrophobicContact CE1-CD1 4.47Å; F116-I139 HydrophobicContact CZ-CD1 3.67Å; F116-I139 HydrophobicContact CZ-CG1 4.41Å; F116-V141 HydrophobicContact CE2-CB 4.46Å; F116-V141 HydrophobicContact CE2-CG1 4.35Å; F116-V141 HydrophobicContact CE2-CG2 3.75Å; F116-V141 HydrophobicContact CZ-CG2 3.95Å; F116-F163 HydrophobicContact CB-CE1 4.21Å; F116-F163 HydrophobicContact CB-CZ 3.98Å; F116-F163 HydrophobicContact CD2-CE2 4.5Å; F116-F163 HydrophobicContact CD2-CZ 4.27Å; F116-S167 WeakPolarHBondContact CD2-OG 3.28Å; F116-I171 HydrophobicContact CE1-CD1 4.1Å; F116-I171 HydrophobicContact CE2-CD1 4.33Å; F116-I171 HydrophobicContact CZ-CD1 3.82Å; F116-I171 HydrophobicContact CZ-CG1 3.96Å |
| 117 | Q | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -37.2 | 176.9 | -73.7 | 174 | -73 | 0 | 0 | 112.4 | I93 E97 F101 F113 H114 A119 Y120 R121 | I93-Q117 HydrophobicContact CD1-CG 3.76Å; I93-Q117 HydrophobicContact CG2-CG 4.42Å; E97-Q117 PolarHBondContact OE1-NE2 3.48Å; F101-Q117 HydrophobicContact CB-CB 4.01Å; F101-Q117 HydrophobicContact CD1-CB 3.86Å; F101-Q117 HydrophobicContact CD2-CB 3.83Å; F101-Q117 HydrophobicContact CD2-CG 4.41Å; F101-Q117 HydrophobicContact CE1-CB 4.3Å; F101-Q117 HydrophobicContact CE2-CB 4.27Å; F101-Q117 HydrophobicContact CG-CB 3.61Å; F101-Q117 HydrophobicContact CZ-CB 4.49Å; F113-Q117 PolarHBondContact O-N 2.83Å; F113-Q117 VanDerWaalsContact O-N 3.13Å; H114-Q117 PolarHBondContact CD2-OE1 3.14Å; H114-Q117 VanDerWaalsContact CD2-OE1 3.26Å; H114-Q117 PolarHBondContact O-N 3.34Å; Q117-A119 VanDerWaalsContact C-N 3.31Å; Q117-A119 PolarHBondContact O-N 2.85Å; Q117-Y120 PolarHBondContact O-N 3.09Å; Q117-R121 WeakPolarHBondContact O-CB 3.39Å; Q117-R121 PolarHBondContact O-N 3.33Å |
| 118 | C | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -51.7 | -49.2 | 169.9 | -79.7 | 0 | 0 | 0 | 0 | 112.3 | H114 Y115 F116 G122 C191 | H114-C118 PolarHBondContact O-N 3.06Å; H114-C118 PolarHBondContact O-SG 2.8Å; H114-C118 VanDerWaalsContact O-SG 3.41Å; Y115-C118 WeakPolarHBondContact O-CB 3.46Å; F116-C118 VanDerWaalsContact C-N 3.29Å; F116-C118 PolarHBondContact O-N 2.95Å; C118-G122 PolarHBondContact O-N 2.85Å; C118-C191 HydrophobicContact CB-CB 4.09Å; C118-C191 VanDerWaalsContact CB-O 3.23Å; C118-C191 WeakPolarHBondContact CB-O 3.45Å; C118-C191 WeakPolarHBondContact O-CB 3.47Å; C118-C191 PolarHBondContact SG-O 3.15Å |
| 119 | A | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y115 F116 Q117 G122 I123 V164 A168 I171 | Y115-A119 PolarHBondContact O-N 2.86Å; F116-A119 WeakPolarHBondContact O-CB 3.43Å; F116-A119 PolarHBondContact O-N 2.92Å; Q117-A119 VanDerWaalsContact C-N 3.31Å; Q117-A119 PolarHBondContact O-N 2.85Å; A119-G122 PolarHBondContact O-N 3.34Å; A119-I123 WeakPolarHBondContact O-CG1 3.18Å; A119-I123 PolarHBondContact O-N 3.17Å; A119-V164 HydrophobicContact CB-CG1 4.33Å; A119-A168 HydrophobicContact CB-CB 4.05Å; A119-I171 HydrophobicContact CB-CD1 4.21Å |
| 120 | Y | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 177.8 | -154.8 | -77.8 | 0 | 0 | 0 | 112.5 | I79 I95 A98 I99 F116 Q117 G122 I123 K124 W134 P136 P137 I171 | I79-Y120 HydrophobicContact CD1-CD1 4.5Å; I79-Y120 HydrophobicContact CD1-CD2 3.61Å; I79-Y120 HydrophobicContact CD1-CE1 4.35Å; I79-Y120 HydrophobicContact CD1-CE2 3.45Å; I79-Y120 VanDerWaalsContact CD1-CE2 3.45Å; I79-Y120 HydrophobicContact CD1-CG 4.15Å; I79-Y120 HydrophobicContact CG1-CE2 4.06Å; I95-Y120 WeakPolarHBondContact CD1-OH 3.3Å; A98-Y120 HydrophobicContact CB-CD1 3.62Å; A98-Y120 HydrophobicContact CB-CE1 4.03Å; A98-Y120 HydrophobicContact CB-CG 3.89Å; I99-Y120 HydrophobicContact CG2-CD1 4.02Å; I99-Y120 HydrophobicContact CG2-CE1 3.61Å; F116-Y120 AromaticContact CE1-CD2 3.93Å; F116-Y120 HydrophobicContact CE1-CD2 3.93Å; F116-Y120 PolarHBondContact O-N 3.12Å; Q117-Y120 PolarHBondContact O-N 3.09Å; Y120-G122 VanDerWaalsContact C-N 3.33Å; Y120-G122 PolarHBondContact O-N 3.09Å; Y120-I123 PolarHBondContact O-N 2.82Å; Y120-K124 PolarHBondContact O-N 2.82Å; Y120-K124 VanDerWaalsContact O-N 3.09Å; Y120-W134 HydrophobicContact CD1-CH2 4.21Å; Y120-W134 AromaticContact CE1-CH2 3.65Å; Y120-W134 HydrophobicContact CE1-CH2 3.65Å; Y120-W134 HydrophobicContact CE1-CZ2 4.26Å; Y120-P136 HydrophobicContact CE1-CB 4.24Å; Y120-P136 VanDerWaalsContact OH-C 3.26Å; Y120-P136 WeakPolarHBondContact OH-CA 3.4Å; Y120-P136 WeakPolarHBondContact OH-CB 3.41Å; Y120-P137 HydrophobicContact CE2-CG 4.24Å; Y120-P137 VanDerWaalsContact OH-CD 3.28Å; Y120-P137 WeakPolarHBondContact OH-CD 3.18Å; Y120-P137 VanDerWaalsContact OH-N 3.14Å; Y120-P137 PolarHBondContact OH-O 3.47Å; Y120-P137 VanDerWaalsContact OH-O 3.1Å; Y120-I171 HydrophobicContact CD2-CD1 3.58Å; Y120-I171 HydrophobicContact CD2-CG1 3.92Å; Y120-I171 HydrophobicContact CD2-CG2 4.23Å; Y120-I171 HydrophobicContact CE2-CG1 4.45Å; Y120-I171 HydrophobicContact CE2-CG2 4.34Å; Y120-I171 HydrophobicContact CG-CD1 4.07Å |
| 121 | R | 97.4 | Very high | 96 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 173 | 174.1 | 63.2 | -161.3 | -149.1 | 0.2 | 111.9 | I99 F101 C103 Q117 I123 K124 D125 Y194 | I99-R121 WeakPolarHBondContact O-CD 3.36Å; I99-R121 PolarHBondContact O-NH1 3.02Å; F101-R121 HydrophobicContact CB-CB 4.37Å; F101-R121 WeakPolarHBondContact O-CD 3.31Å; F101-R121 WeakPolarHBondContact O-CG 3.47Å; C103-R121 PolarHBondContact SG-NH1 2.76Å; Q117-R121 WeakPolarHBondContact O-CB 3.39Å; Q117-R121 PolarHBondContact O-N 3.33Å; R121-I123 PolarHBondContact O-N 2.96Å; R121-K124 WeakPolarHBondContact O-CB 3.26Å; R121-K124 PolarHBondContact O-N 2.99Å; R121-D125 IonicContact CZ-OD1 3.4Å; R121-D125 VanDerWaalsContact CZ-OD1 3.28Å; R121-D125 IonicContact CZ-OD2 3.89Å; R121-D125 IonicContact NE-OD1 3.14Å; R121-D125 PolarHBondContact NE-OD1 2.83Å; R121-D125 VanDerWaalsContact NE-OD1 3.14Å; R121-D125 IonicContact NE-OD2 3.73Å; R121-D125 PolarHBondContact NE-OD2 2.9Å; R121-D125 IonicContact NH2-OD1 2.8Å; R121-D125 PolarHBondContact NH2-OD1 3.39Å; R121-D125 IonicContact NH2-OD2 3.15Å; R121-D125 PolarHBondContact NH2-OD2 3.4Å; R121-D125 PolarHBondContact O-N 3.44Å; R121-Y194 HydrophobicContact CB-CD2 4.04Å; R121-Y194 HydrophobicContact CB-CE2 4.17Å; R121-Y194 HydrophobicContact CG-CD1 3.93Å; R121-Y194 HydrophobicContact CG-CD2 3.67Å; R121-Y194 HydrophobicContact CG-CE1 3.78Å; R121-Y194 HydrophobicContact CG-CE2 3.55Å; R121-Y194 HydrophobicContact CG-CG 3.91Å |
| 122 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C118 A119 Y120 K124 D125 Y126 L187 | C118-G122 PolarHBondContact O-N 2.85Å; A119-G122 PolarHBondContact O-N 3.34Å; Y120-G122 VanDerWaalsContact C-N 3.33Å; Y120-G122 PolarHBondContact O-N 3.09Å; G122-K124 VanDerWaalsContact C-N 3.31Å; G122-K124 PolarHBondContact O-N 2.75Å; G122-D125 PolarHBondContact O-N 3.34Å; G122-Y126 PolarHBondContact O-N 3.15Å; G122-L187 WeakPolarHBondContact O-CD1 3.44Å |
| 123 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 175.4 | -65.7 | -68.8 | 0 | 0 | 0 | 110.9 | A119 Y120 R121 D125 Y126 V127 W134 I171 M172 L177 I179 L187 | A119-I123 WeakPolarHBondContact O-CG1 3.18Å; A119-I123 PolarHBondContact O-N 3.17Å; Y120-I123 PolarHBondContact O-N 2.82Å; R121-I123 PolarHBondContact O-N 2.96Å; I123-D125 PolarHBondContact O-N 3.49Å; I123-Y126 PolarHBondContact O-N 3.23Å; I123-V127 HydrophobicContact CG2-CG2 4.34Å; I123-V127 WeakPolarHBondContact O-CB 3.28Å; I123-V127 VanDerWaalsContact O-CG2 3.29Å; I123-V127 WeakPolarHBondContact O-CG2 3.43Å; I123-V127 PolarHBondContact O-N 3.26Å; I123-W134 HydrophobicContact CG2-CZ2 3.95Å; I123-I171 HydrophobicContact CB-CG2 4.04Å; I123-I171 HydrophobicContact CG1-CB 4.22Å; I123-I171 HydrophobicContact CG1-CG2 3.97Å; I123-I171 HydrophobicContact CG2-CG2 3.92Å; I123-M172 HydrophobicContact CD1-CB 4.31Å; I123-L177 HydrophobicContact CG2-CD1 3.63Å; I123-I179 HydrophobicContact CD1-CD1 3.7Å; I123-L187 HydrophobicContact CD1-CD2 3.9Å |
| 124 | K | 97.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 173.6 | 173.8 | 51 | 154.7 | 96.7 | 0 | 111.9 | I99 Y120 R121 G122 Y126 V127 D128 W134 | I99-K124 HydrophobicContact CB-CG 4.27Å; I99-K124 HydrophobicContact CG2-CB 4.47Å; I99-K124 HydrophobicContact CG2-CG 4.39Å; Y120-K124 PolarHBondContact O-N 2.82Å; Y120-K124 VanDerWaalsContact O-N 3.09Å; R121-K124 WeakPolarHBondContact O-CB 3.26Å; R121-K124 PolarHBondContact O-N 2.99Å; G122-K124 VanDerWaalsContact C-N 3.31Å; G122-K124 PolarHBondContact O-N 2.75Å; K124-Y126 VanDerWaalsContact C-N 3.3Å; K124-Y126 PolarHBondContact O-N 2.88Å; K124-V127 WeakPolarHBondContact O-CB 3.19Å; K124-V127 PolarHBondContact O-N 3.46Å; K124-D128 IonicContact NZ-OD1 3.64Å; K124-D128 PolarHBondContact NZ-OD1 2.87Å; K124-D128 IonicContact NZ-OD2 3.24Å; K124-D128 PolarHBondContact NZ-OD2 3.23Å; K124-D128 PolarHBondContact O-N 3.36Å; K124-W134 HydrophobicContact CB-CH2 4.09Å; K124-W134 HydrophobicContact CB-CZ3 3.8Å; K124-W134 HydrophobicContact CD-CE3 3.96Å; K124-W134 HydrophobicContact CD-CZ3 3.63Å; K124-W134 HydrophobicContact CG-CZ3 4.18Å |
| 125 | D | 96.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -33.9 | -179.9 | -73.9 | -18.6 | 0 | 0 | 0 | 112.2 | R121 G122 I123 K129 Y194 | R121-D125 IonicContact CZ-OD1 3.4Å; R121-D125 VanDerWaalsContact CZ-OD1 3.28Å; R121-D125 IonicContact CZ-OD2 3.89Å; R121-D125 IonicContact NE-OD1 3.14Å; R121-D125 PolarHBondContact NE-OD1 2.83Å; R121-D125 VanDerWaalsContact NE-OD1 3.14Å; R121-D125 IonicContact NE-OD2 3.73Å; R121-D125 PolarHBondContact NE-OD2 2.9Å; R121-D125 IonicContact NH2-OD1 2.8Å; R121-D125 PolarHBondContact NH2-OD1 3.39Å; R121-D125 IonicContact NH2-OD2 3.15Å; R121-D125 PolarHBondContact NH2-OD2 3.4Å; R121-D125 PolarHBondContact O-N 3.44Å; G122-D125 PolarHBondContact O-N 3.34Å; I123-D125 PolarHBondContact O-N 3.49Å; D125-K129 VanDerWaalsContact O-CB 3.23Å; D125-K129 WeakPolarHBondContact O-CB 3.39Å; D125-K129 PolarHBondContact O-N 2.9Å; D125-Y194 VanDerWaalsContact OD2-CZ 3.27Å; D125-Y194 PolarHBondContact OD2-OH 2.93Å |
| 126 | Y | 96.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 50 Ų | 50 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 173.6 | 176.8 | -89 | 0 | 0 | 0 | 111.8 | G122 I123 K124 K129 S130 L132 I179 E183 L187 | G122-Y126 PolarHBondContact O-N 3.15Å; I123-Y126 PolarHBondContact O-N 3.23Å; K124-Y126 VanDerWaalsContact C-N 3.3Å; K124-Y126 PolarHBondContact O-N 2.88Å; Y126-K129 PolarHBondContact O-N 2.93Å; Y126-S130 WeakPolarHBondContact O-CB 3.25Å; Y126-S130 PolarHBondContact O-N 2.76Å; Y126-S130 PolarHBondContact O-OG 2.79Å; Y126-L132 HydrophobicContact CD1-CD1 4.37Å; Y126-L132 HydrophobicContact CE1-CD1 3.82Å; Y126-I179 HydrophobicContact CD1-CD1 3.72Å; Y126-I179 HydrophobicContact CD1-CG1 4.15Å; Y126-I179 HydrophobicContact CE1-CD1 3.76Å; Y126-I179 HydrophobicContact CE1-CG1 3.65Å; Y126-I179 HydrophobicContact CE1-CG2 4.5Å; Y126-I179 HydrophobicContact CE2-CG2 4.06Å; Y126-I179 HydrophobicContact CG-CD1 4.19Å; Y126-E183 HydrophobicContact CE2-CB 4.47Å; Y126-L187 HydrophobicContact CD2-CD2 4.31Å; Y126-L187 HydrophobicContact CG-CD2 4.21Å |
| 127 | V | 97.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 178.2 | 161.4 | 0 | 0 | 0 | 0 | 110.7 | I123 K124 K129 S130 N131 L132 W134 L177 | I123-V127 HydrophobicContact CG2-CG2 4.34Å; I123-V127 WeakPolarHBondContact O-CB 3.28Å; I123-V127 VanDerWaalsContact O-CG2 3.29Å; I123-V127 WeakPolarHBondContact O-CG2 3.43Å; I123-V127 PolarHBondContact O-N 3.26Å; K124-V127 WeakPolarHBondContact O-CB 3.19Å; K124-V127 PolarHBondContact O-N 3.46Å; V127-K129 PolarHBondContact O-N 2.94Å; V127-S130 CarbonylContact O-C 3.57Å; V127-S130 PolarHBondContact O-N 2.87Å; V127-N131 PolarHBondContact O-N 2.95Å; V127-L132 HydrophobicContact CG1-CB 4.25Å; V127-L132 VanDerWaalsContact CG1-O 3.28Å; V127-L132 WeakPolarHBondContact CG1-O 3.45Å; V127-L132 PolarHBondContact O-N 3.21Å; V127-W134 HydrophobicContact CB-CB 4.23Å; V127-W134 HydrophobicContact CB-CG 4.45Å; V127-W134 HydrophobicContact CG1-CB 3.35Å; V127-W134 HydrophobicContact CG1-CD2 4.36Å; V127-W134 HydrophobicContact CG1-CE3 4.36Å; V127-W134 HydrophobicContact CG1-CG 4.02Å; V127-W134 HydrophobicContact CG2-CB 3.88Å; V127-W134 HydrophobicContact CG2-CD2 4.07Å; V127-W134 HydrophobicContact CG2-CG 3.79Å; V127-L177 HydrophobicContact CG2-CD1 3.76Å; V127-L177 HydrophobicContact CG2-CD2 4.21Å |
| 128 | D | 96.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 52 Ų | 52 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 179.5 | -72.5 | -13.9 | 0 | 0 | 0 | 111.1 | K124 S130 N131 | K124-D128 IonicContact NZ-OD1 3.64Å; K124-D128 PolarHBondContact NZ-OD1 2.87Å; K124-D128 IonicContact NZ-OD2 3.24Å; K124-D128 PolarHBondContact NZ-OD2 3.23Å; K124-D128 PolarHBondContact O-N 3.36Å; D128-S130 PolarHBondContact O-N 3.48Å; D128-N131 PolarHBondContact O-N 3.48Å |
| 129 | K | 95.7 | Very high | 96.3 | Very high | 169 Ų | 169 | 52 Ų | 52 | 74% | 0.735 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.6 | -32.9 | 179.1 | -176.9 | -178.7 | 174.4 | -170.1 | 0 | 112.1 | D125 Y126 V127 | D125-K129 VanDerWaalsContact O-CB 3.23Å; D125-K129 WeakPolarHBondContact O-CB 3.39Å; D125-K129 PolarHBondContact O-N 2.9Å; Y126-K129 PolarHBondContact O-N 2.93Å; V127-K129 PolarHBondContact O-N 2.94Å |
| 130 | S | 95.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -92.8 | -1.6 | -177.1 | -51.8 | 0 | 0 | 0 | 0 | 113.1 | Y126 V127 D128 L132 | Y126-S130 WeakPolarHBondContact O-CB 3.25Å; Y126-S130 PolarHBondContact O-N 2.76Å; Y126-S130 PolarHBondContact O-OG 2.79Å; V127-S130 CarbonylContact O-C 3.57Å; V127-S130 PolarHBondContact O-N 2.87Å; D128-S130 PolarHBondContact O-N 3.48Å; S130-L132 VanDerWaalsContact C-N 3.28Å; S130-L132 PolarHBondContact O-N 2.96Å |
| 131 | N | 95.5 | Very high | 96.4 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 78% | 0.781 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 45.6 | -173.9 | -58.2 | -66.4 | 0 | 0 | 0 | 112.8 | V127 D128 | V127-N131 PolarHBondContact O-N 2.95Å; D128-N131 PolarHBondContact O-N 3.48Å |
| 132 | L | 95.3 | Very high | 96.4 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | trans | -91 | 143.9 | 179.1 | -61 | 175.2 | 0 | 0 | 0 | 110.9 | Y126 V127 S130 W134 L177 | Y126-L132 HydrophobicContact CD1-CD1 4.37Å; Y126-L132 HydrophobicContact CE1-CD1 3.82Å; V127-L132 HydrophobicContact CG1-CB 4.25Å; V127-L132 VanDerWaalsContact CG1-O 3.28Å; V127-L132 WeakPolarHBondContact CG1-O 3.45Å; V127-L132 PolarHBondContact O-N 3.21Å; S130-L132 VanDerWaalsContact C-N 3.28Å; S130-L132 PolarHBondContact O-N 2.96Å; L132-W134 PolarHBondContact O-N 3.27Å; L132-L177 HydrophobicContact CD1-CD2 4.24Å | ||
| 133 | D | 93 | Very high | 96.4 | Very high | 168 Ų | 168 | 51.1 Ų | 51.1 | 90% | 0.898 | 27% | 0.272 | S | S | * | . | trans | -68.8 | 122.9 | 167.2 | -69.2 | -39 | 0 | 0 | 0 | 109.3 | ||||
| 134 | W | 94.9 | Very high | 96.2 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | trans | -144.1 | 126.5 | -178 | -175.7 | 57.6 | 0 | 0 | 0 | 111 | I99 Y120 I123 K124 V127 L132 P136 I171 S175 | I99-W134 HydrophobicContact CG2-CH2 4.28Å; I99-W134 HydrophobicContact CG2-CZ3 4.16Å; Y120-W134 HydrophobicContact CD1-CH2 4.21Å; Y120-W134 AromaticContact CE1-CH2 3.65Å; Y120-W134 HydrophobicContact CE1-CH2 3.65Å; Y120-W134 HydrophobicContact CE1-CZ2 4.26Å; I123-W134 HydrophobicContact CG2-CZ2 3.95Å; K124-W134 HydrophobicContact CB-CH2 4.09Å; K124-W134 HydrophobicContact CB-CZ3 3.8Å; K124-W134 HydrophobicContact CD-CE3 3.96Å; K124-W134 HydrophobicContact CD-CZ3 3.63Å; K124-W134 HydrophobicContact CG-CZ3 4.18Å; V127-W134 HydrophobicContact CB-CB 4.23Å; V127-W134 HydrophobicContact CB-CG 4.45Å; V127-W134 HydrophobicContact CG1-CB 3.35Å; V127-W134 HydrophobicContact CG1-CD2 4.36Å; V127-W134 HydrophobicContact CG1-CE3 4.36Å; V127-W134 HydrophobicContact CG1-CG 4.02Å; V127-W134 HydrophobicContact CG2-CB 3.88Å; V127-W134 HydrophobicContact CG2-CD2 4.07Å; V127-W134 HydrophobicContact CG2-CG 3.79Å; L132-W134 PolarHBondContact O-N 3.27Å; W134-P136 HydrophobicContact CD2-CG 4.45Å; W134-P136 HydrophobicContact CE3-CB 4.3Å; W134-P136 HydrophobicContact CE3-CG 3.81Å; W134-P136 HydrophobicContact CH2-CB 3.74Å; W134-P136 HydrophobicContact CH2-CG 4.07Å; W134-P136 HydrophobicContact CZ2-CB 4.14Å; W134-P136 HydrophobicContact CZ3-CB 3.79Å; W134-P136 HydrophobicContact CZ3-CG 3.56Å; W134-I171 HydrophobicContact CZ2-CG2 4.27Å; W134-S175 PolarHBondContact NE1-OG 3.44Å | ||
| 135 | T | 94.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | trans | -98.7 | 115.2 | 165.1 | -58.7 | 0 | 0 | 0 | 0 | 107.5 | P137 | T135-P137 WeakPolarHBondContact O-CD 3.38Š| ||
| 136 | P | 95.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 25% | 0.253 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 123 | 178.6 | -19.4 | 27.9 | 0 | 0 | 0 | 110.5 | I95 Y120 W134 | I95-P136 HydrophobicContact CG2-CB 3.56Å; I95-P136 HydrophobicContact CG2-CG 4.17Å; Y120-P136 HydrophobicContact CE1-CB 4.24Å; Y120-P136 VanDerWaalsContact OH-C 3.26Å; Y120-P136 WeakPolarHBondContact OH-CA 3.4Å; Y120-P136 WeakPolarHBondContact OH-CB 3.41Å; W134-P136 HydrophobicContact CD2-CG 4.45Å; W134-P136 HydrophobicContact CE3-CB 4.3Å; W134-P136 HydrophobicContact CE3-CG 3.81Å; W134-P136 HydrophobicContact CH2-CB 3.74Å; W134-P136 HydrophobicContact CH2-CG 4.07Å; W134-P136 HydrophobicContact CZ2-CB 4.14Å; W134-P136 HydrophobicContact CZ3-CB 3.79Å; W134-P136 HydrophobicContact CZ3-CG 3.56Å |
| 137 | P | 96.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 131.7 | -171.8 | 34.8 | -39.6 | 0 | 0 | 0 | 112.7 | I95 Y120 T135 I139 I171 I174 S175 | I95-P137 WeakPolarHBondContact CD1-O 3.39Å; Y120-P137 HydrophobicContact CE2-CG 4.24Å; Y120-P137 VanDerWaalsContact OH-CD 3.28Å; Y120-P137 WeakPolarHBondContact OH-CD 3.18Å; Y120-P137 VanDerWaalsContact OH-N 3.14Å; Y120-P137 PolarHBondContact OH-O 3.47Å; Y120-P137 VanDerWaalsContact OH-O 3.1Å; T135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-I139 HydrophobicContact CB-CG2 3.85Å; P137-I139 HydrophobicContact CG-CG2 4.38Å; P137-I171 HydrophobicContact CG-CG2 4.2Å; P137-I174 HydrophobicContact CB-CG2 3.81Å; P137-I174 HydrophobicContact CG-CG2 3.77Å; P137-S175 WeakPolarHBondContact CD-OG 3.46Å; P137-S175 WeakPolarHBondContact CG-OG 3.49Å |
| 138 | S | 97.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 117.4 | 166.1 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | T71 L76 D77 K78 | T71-S138 PolarHBondContact N-O 3.24Å; T71-S138 WeakPolarHBondContact OG1-CB 3.34Å; T71-S138 PolarHBondContact OG1-O 2.84Å; L76-S138 WeakPolarHBondContact O-CB 3.41Å; L76-S138 PolarHBondContact O-OG 3.02Å; D77-S138 WeakPolarHBondContact CA-OG 3.33Å; K78-S138 CarbonylContact O-C 3.6Å; K78-S138 WeakPolarHBondContact O-CA 3.5Å; K78-S138 WeakPolarHBondContact O-CB 3.17Å |
| 139 | I | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.1 | -165.4 | 56 | 178.5 | 0 | 0 | 0 | 113.4 | G69 K78 I79 V80 F116 P137 V141 I171 I174 | G69-I139 WeakPolarHBondContact O-CA 3.49Å; K78-I139 PolarHBondContact O-N 2.91Å; I79-I139 WeakPolarHBondContact CA-O 3.12Å; I79-I139 HydrophobicContact CG1-CG1 4.43Å; I79-I139 HydrophobicContact CG2-CG1 4.3Å; V80-I139 PolarHBondContact N-O 3.41Å; F116-I139 HydrophobicContact CE1-CD1 4.47Å; F116-I139 HydrophobicContact CZ-CD1 3.67Å; F116-I139 HydrophobicContact CZ-CG1 4.41Å; P137-I139 HydrophobicContact CB-CG2 3.85Å; P137-I139 HydrophobicContact CG-CG2 4.38Å; I139-V141 HydrophobicContact CD1-CG2 4.11Å; I139-V141 HydrophobicContact CG1-CG2 4.19Å; I139-I171 HydrophobicContact CD1-CG1 4.03Å; I139-I174 HydrophobicContact CG2-CD1 3.52Å; I139-I174 HydrophobicContact CG2-CG1 4.14Å; I139-I174 HydrophobicContact CG2-CG2 3.97Å |
| 140 | N | 98.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.9 | 164.8 | -74.2 | -40.3 | 0 | 0 | 0 | 108.3 | F23 F27 V68 G69 P70 V80 | F23-N140 HydrophobicContact CE2-CB 3.87Å; F23-N140 HydrophobicContact CZ-CB 3.64Å; F27-N140 HydrophobicContact CD1-CB 4.02Å; F27-N140 WeakPolarHBondContact CD1-OD1 3.47Å; F27-N140 HydrophobicContact CD2-CB 3.98Å; F27-N140 HydrophobicContact CE1-CB 4Å; F27-N140 HydrophobicContact CE2-CB 3.92Å; F27-N140 HydrophobicContact CG-CB 4.01Å; F27-N140 HydrophobicContact CZ-CB 3.95Å; V68-N140 WeakPolarHBondContact CA-O 3.41Å; G69-N140 PolarHBondContact N-O 2.85Å; G69-N140 VanDerWaalsContact N-O 3.09Å; G69-N140 PolarHBondContact O-N 2.98Å; P70-N140 PolarHBondContact O-ND2 3.28Å; P70-N140 VanDerWaalsContact O-ND2 3.12Å; V80-N140 WeakPolarHBondContact CB-OD1 3.44Å; V80-N140 WeakPolarHBondContact O-CA 3.39Å |
| 141 | V | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 124.6 | 176.5 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | I66 S67 V80 L81 R82 F116 I139 | I66-V141 HydrophobicContact CB-CG1 3.99Å; I66-V141 HydrophobicContact CD1-CG1 4.16Å; I66-V141 HydrophobicContact CG2-CG1 4.44Å; S67-V141 WeakPolarHBondContact O-CA 3.43Å; V80-V141 PolarHBondContact O-N 2.77Å; L81-V141 HydrophobicContact CD2-CB 3.61Å; L81-V141 HydrophobicContact CD2-CG1 4.33Å; L81-V141 HydrophobicContact CD2-CG2 3.83Å; R82-V141 PolarHBondContact N-O 3.24Å; F116-V141 HydrophobicContact CE2-CB 4.46Å; F116-V141 HydrophobicContact CE2-CG1 4.35Å; F116-V141 HydrophobicContact CE2-CG2 3.75Å; F116-V141 HydrophobicContact CZ-CG2 3.95Å; I139-V141 HydrophobicContact CD1-CG2 4.11Å; I139-V141 HydrophobicContact CG1-CG2 4.19Å |
| 142 | L | 97.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123 | 170.7 | 175 | 68.7 | 0 | 0 | 0 | 109.6 | L19 E22 F23 T26 F27 I66 S67 R82 T84 | L19-L142 HydrophobicContact CD1-CD2 3.95Å; L19-L142 HydrophobicContact CD1-CG 4.15Å; E22-L142 HydrophobicContact CB-CD2 4.05Å; E22-L142 HydrophobicContact CG-CD2 3.76Å; F23-L142 HydrophobicContact CB-CD2 4.26Å; F23-L142 HydrophobicContact CD2-CB 4.03Å; T26-L142 HydrophobicContact CG2-CD1 4.44Å; F27-L142 HydrophobicContact CE2-CB 3.83Å; I66-L142 CarbonylContact C-O 3.59Å; I66-L142 VanDerWaalsContact CA-O 3.3Å; I66-L142 WeakPolarHBondContact CA-O 3.44Å; S67-L142 PolarHBondContact N-O 2.94Å; S67-L142 PolarHBondContact O-N 2.95Å; S67-L142 WeakPolarHBondContact OG-CB 3.35Å; S67-L142 PolarHBondContact OG-O 3.21Å; R82-L142 HydrophobicContact CB-CD1 3.95Å; R82-L142 CarbonylContact O-C 3.59Å; R82-L142 WeakPolarHBondContact O-CA 3.48Å; T84-L142 HydrophobicContact CG2-CD1 3.9Å; T84-L142 HydrophobicContact CG2-CD2 4.08Å; T84-L142 HydrophobicContact CG2-CG 4.13Å |
| 143 | V | 96.5 | Very high | 88.2 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.7 | 177 | -172.2 | 0 | 0 | 0 | 0 | 110 | V64 I66 R82 S83 T84 W112 F163 | V64-V143 HydrophobicContact CG1-CG1 4.28Å; I66-V143 HydrophobicContact CG2-CB 4.29Å; I66-V143 HydrophobicContact CG2-CG1 4.16Å; I66-V143 HydrophobicContact CG2-CG2 3.87Å; R82-V143 PolarHBondContact O-N 2.94Å; S83-V143 WeakPolarHBondContact CA-O 3.37Å; S83-V143 PolarHBondContact OG-O 3.26Å; T84-V143 PolarHBondContact N-O 3.4Å; T84-V143 PolarHBondContact OG1-O 3.42Å; T84-V143 VanDerWaalsContact OG1-O 3.1Å; W112-V143 HydrophobicContact CZ3-CG2 3.85Å; V143-F163 HydrophobicContact CG2-CD2 4.44Å; V143-F163 HydrophobicContact CG2-CE2 3.61Å; V143-F163 HydrophobicContact CG2-CZ 3.94Å |
| 144 | G | 94.6 | Very high | 87 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | trans | -72.9 | 137.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y65 T84 | Y65-G144 PolarHBondContact O-N 2.99Å; T84-G144 WeakPolarHBondContact OG1-CA 3.48Å | ||
| 145 | D | 90.4 | Very high | 85.7 | Confident | 36 Ų | 36 | 32.8 Ų | 32.8 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | trans | -83.6 | -162.6 | 173.9 | 72.2 | 9.4 | 0 | 0 | 0 | 112.3 | T84 D85 E147 Y148 G150 | T84-D145 PolarHBondContact OG1-N 2.8Å; D85-D145 HydrophobicContact CB-CB 3.72Å; D145-E147 PolarHBondContact O-N 2.86Å; D145-E147 VanDerWaalsContact OD1-CB 3.32Å; D145-E147 WeakPolarHBondContact OD1-CB 3.43Å; D145-E147 PolarHBondContact OD1-N 3.16Å; D145-Y148 PolarHBondContact O-N 3.14Å; D145-Y148 WeakPolarHBondContact OD1-CD2 3.21Å; D145-G150 WeakPolarHBondContact O-CA 3.23Å; D145-G150 PolarHBondContact O-N 3.18Å | ||
| 146 | V | 83.9 | Confident | 84.7 | Confident | 74 Ų | 74 | 27.8 Ų | 27.8 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -60.3 | -27.9 | 179.6 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | Y148 G149 | V146-Y148 PolarHBondContact O-N 3.44Å; V146-G149 PolarHBondContact O-N 2.97Å |
| 147 | E | 85.2 | Confident | 84.3 | Confident | 135 Ų | 135 | 25.9 Ų | 25.9 | 63% | 0.631 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -68 | -19.6 | 175.6 | -63.7 | -164.8 | 175.1 | 0 | 0 | 112.7 | K18 D145 G149 | K18-E147 IonicContact NZ-OE2 3.98Å; K18-E147 PolarHBondContact NZ-OE2 2.84Å; D145-E147 PolarHBondContact O-N 2.86Å; D145-E147 VanDerWaalsContact OD1-CB 3.32Å; D145-E147 WeakPolarHBondContact OD1-CB 3.43Å; D145-E147 PolarHBondContact OD1-N 3.16Å; E147-G149 VanDerWaalsContact C-N 3.34Å |
| 148 | Y | 85.1 | Confident | 83.9 | Confident | 14 Ų | 14 | 25.7 Ų | 25.7 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -99.6 | 30 | 176.9 | -61.4 | -91.3 | 0 | 0 | 0 | 111.6 | I15 K18 L19 Y65 T84 D145 V146 G150 | I15-Y148 WeakPolarHBondContact CG2-O 3.19Å; K18-Y148 HydrophobicContact CB-CD1 4.47Å; K18-Y148 HydrophobicContact CB-CE1 4.06Å; K18-Y148 HydrophobicContact CD-CD1 4.22Å; K18-Y148 HydrophobicContact CD-CE1 3.7Å; K18-Y148 HydrophobicContact CG-CD1 4.45Å; K18-Y148 HydrophobicContact CG-CE1 3.7Å; L19-Y148 HydrophobicContact CB-CD1 3.66Å; L19-Y148 HydrophobicContact CB-CE1 3.86Å; L19-Y148 HydrophobicContact CD1-CD1 3.82Å; L19-Y148 HydrophobicContact CD1-CD2 4.45Å; L19-Y148 HydrophobicContact CD1-CE1 3.83Å; L19-Y148 HydrophobicContact CD1-CG 4.12Å; L19-Y148 HydrophobicContact CG-CD1 4.24Å; L19-Y148 HydrophobicContact CG-CE1 4.45Å; Y65-Y148 WeakPolarHBondContact CD2-O 3.46Å; Y65-Y148 WeakPolarHBondContact CE2-O 3.45Å; T84-Y148 HydrophobicContact CG2-CD2 4.45Å; T84-Y148 HydrophobicContact CG2-CE2 3.73Å; D145-Y148 PolarHBondContact O-N 3.14Å; D145-Y148 WeakPolarHBondContact OD1-CD2 3.21Å; V146-Y148 PolarHBondContact O-N 3.44Å; Y148-G150 VanDerWaalsContact C-N 3.28Å; Y148-G150 PolarHBondContact O-N 3.06Å |
| 149 | G | 77.4 | Confident | 83.6 | Confident | 25 Ų | 25 | 25.3 Ų | 25.3 | 26% | 0.258 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 14.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A63 V146 E147 | A63-G149 PolarHBondContact N-O 2.84Å; A63-G149 VanDerWaalsContact N-O 3.11Å; A63-G149 VanDerWaalsContact O-O 3.12Å; V146-G149 PolarHBondContact O-N 2.97Å; E147-G149 VanDerWaalsContact C-N 3.34Å |
| 150 | G | 71.1 | Confident | 83.3 | Confident | 12 Ų | 12 | 26.7 Ų | 26.7 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 150.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | A63 D145 Y148 | A63-G150 WeakPolarHBondContact O-CA 3.41Å; D145-G150 WeakPolarHBondContact O-CA 3.23Å; D145-G150 PolarHBondContact O-N 3.18Å; Y148-G150 VanDerWaalsContact C-N 3.28Å; Y148-G150 PolarHBondContact O-N 3.06Å |
| 151 | L | 69.4 | Low | 83.2 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -81.9 | 148.1 | 166.9 | -69.6 | 152.5 | 0 | 0 | 0 | 110.2 | G39 L60 Q62 P153 L157 A162 | G39-L151 VanDerWaalsContact CA-CD1 3.42Å; L60-L151 HydrophobicContact CD1-CD2 3.66Å; Q62-L151 HydrophobicContact CB-CD2 3.43Å; Q62-L151 VanDerWaalsContact CB-CD2 3.43Å; Q62-L151 HydrophobicContact CB-CG 3.81Å; L151-P153 VanDerWaalsContact O-CD 3.3Å; L151-P153 WeakPolarHBondContact O-CD 3.45Å; L151-L157 HydrophobicContact CD2-CB 4Å; L151-L157 HydrophobicContact CD2-CD1 4.12Å; L151-A162 HydrophobicContact CD1-CB 4.37Å |
| 152 | W | 64.7 | Low | 83 | Confident | 73 Ų | 73 | 26.4 Ų | 26.4 | 28% | 0.277 | 16% | 0.159 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 123.1 | 166.9 | -53.2 | 90.4 | 0 | 0 | 0 | 111.1 | A155 S159 D476 L477 | W152-A155 HydrophobicContact CB-CB 3.55Å; W152-A155 HydrophobicContact CG-CB 4.48Å; W152-S159 PolarHBondContact O-OG 3.12Å; W152-D476 HydrophobicContact CH2-CB 3.9Å; W152-D476 HydrophobicContact CZ2-CB 3.57Å; W152-D476 VanDerWaalsContact CZ2-O 3.32Å; W152-D476 WeakPolarHBondContact CZ2-O 3.36Å; W152-L477 HydrophobicContact CE3-CD2 4.5Å; W152-L477 HydrophobicContact CH2-CD2 4.15Å; W152-L477 HydrophobicContact CZ2-CD2 4.26Å; W152-L477 HydrophobicContact CZ3-CD2 4.26Å |
| 153 | P | 70.8 | Confident | 82.9 | Confident | 53 Ų | 53 | 27.1 Ų | 27.1 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 142.1 | 168.3 | -23.6 | 35 | 0 | 0 | 0 | 111 | Y88 L151 A155 H246 | Y88-P153 VanDerWaalsContact OH-CB 3.3Å; Y88-P153 WeakPolarHBondContact OH-CB 3.16Å; Y88-P153 WeakPolarHBondContact OH-CG 3.39Å; L151-P153 VanDerWaalsContact O-CD 3.3Å; L151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-A155 PolarHBondContact O-N 2.98Å; P153-A155 VanDerWaalsContact O-N 3.09Å; P153-H246 PolarHBondContact O-ND1 3.11Å |
| 154 | A | 66.4 | Low | 83 | Confident | 19 Ų | 19 | 26.4 Ų | 26.4 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 22.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | H246 A247 R248 | A154-H246 HydrophobicContact CB-CB 4.13Å; A154-A247 PolarHBondContact O-N 2.87Å; A154-A247 VanDerWaalsContact O-N 3.15Å; A154-R248 HydrophobicContact CB-CG 3.65Å |
| 155 | A | 68.3 | Low | 83.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -90.2 | 7.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W152 P153 L157 G443 C444 | W152-A155 HydrophobicContact CB-CB 3.55Å; W152-A155 HydrophobicContact CG-CB 4.48Å; P153-A155 PolarHBondContact O-N 2.98Å; P153-A155 VanDerWaalsContact O-N 3.09Å; A155-L157 HydrophobicContact CB-CD1 4.49Å; A155-L157 HydrophobicContact CB-CG 4.26Å; A155-L157 PolarHBondContact O-N 3.18Å; A155-G443 CarbonylContact O-C 3.56Å; A155-G443 VanDerWaalsContact O-CA 3.31Å; A155-G443 WeakPolarHBondContact O-CA 3.35Å; A155-C444 WeakPolarHBondContact O-CB 3.45Å; A155-C444 PolarHBondContact O-N 3.46Å; A155-C444 PolarHBondContact O-SG 3.08Å |
| 156 | G | 73.3 | Confident | 83.5 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 18% | 0.175 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 74 | 7.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 157 | L | 87.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -94.7 | 19.6 | 180 | -55.9 | -177.5 | 0 | 0 | 0 | 114.3 | G39 R40 L60 L151 A155 S159 I240 T437 C444 F479 | G39-L157 WeakPolarHBondContact CA-O 3.46Å; R40-L157 PolarHBondContact N-O 3.49Å; R40-L157 VanDerWaalsContact N-O 3.15Å; R40-L157 CarbonylContact O-C 3.6Å; R40-L157 WeakPolarHBondContact O-CA 3.31Å; L60-L157 HydrophobicContact CD1-CB 3.9Å; L60-L157 HydrophobicContact CD1-CD1 3.98Å; L60-L157 HydrophobicContact CD1-CD2 4.09Å; L60-L157 HydrophobicContact CD1-CG 4.2Å; L151-L157 HydrophobicContact CD2-CB 4Å; L151-L157 HydrophobicContact CD2-CD1 4.12Å; A155-L157 HydrophobicContact CB-CD1 4.49Å; A155-L157 HydrophobicContact CB-CG 4.26Å; A155-L157 PolarHBondContact O-N 3.18Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 2.91Å; L157-I240 HydrophobicContact CD1-CG2 4.29Å; L157-I240 HydrophobicContact CD2-CG2 3.87Å; L157-T437 HydrophobicContact CD2-CG2 4.28Å; L157-C444 HydrophobicContact CD2-CB 3.89Å; L157-C444 HydrophobicContact CG-CB 4.47Å; L157-F479 HydrophobicContact CD1-CE1 4.36Å; L157-F479 HydrophobicContact CD1-CZ 4.13Å |
| 158 | S | 88.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 14.3 Ų | 14.3 | 8% | 0.084 | 9% | 0.093 | C | C | . | . | trans | 63.7 | 31.2 | 175.5 | -161.3 | 0 | 0 | 0 | 0 | 115.2 | S160 S161 A162 D203 | S158-S160 PolarHBondContact O-N 3.48Å; S158-S161 PolarHBondContact O-N 3.41Å; S158-S161 WeakPolarHBondContact OG-CB 3.38Å; S158-A162 WeakPolarHBondContact O-CB 3.37Å; S158-A162 PolarHBondContact O-N 2.98Å; S158-D203 WeakPolarHBondContact OG-CB 3.39Å; S158-D203 PolarHBondContact OG-OD1 2.88Å | ||
| 159 | S | 90.4 | Very high | 85.5 | Confident | 19 Ų | 19 | 13.7 Ų | 13.7 | 13% | 0.133 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.8 | 43.3 | 0 | 0 | 0 | 0 | 113.7 | W152 L157 F163 | W152-S159 PolarHBondContact O-OG 3.12Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 2.91Å; S159-F163 PolarHBondContact O-N 3.49Å |
| 160 | S | 92.1 | Very high | 86.5 | Confident | 30 Ų | 30 | 12.5 Ų | 12.5 | 21% | 0.21 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.9 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | S158 F163 V164 | S158-S160 PolarHBondContact O-N 3.48Å; S160-F163 WeakPolarHBondContact O-CB 3.33Å; S160-F163 PolarHBondContact O-N 2.86Å; S160-V164 WeakPolarHBondContact O-CG2 3.34Å; S160-V164 PolarHBondContact O-N 3.26Å |
| 161 | S | 95 | Very high | 87.8 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -73.6 | -35.1 | -179.5 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | S158 F163 V164 V165 E192 D203 | S158-S161 PolarHBondContact O-N 3.41Å; S158-S161 WeakPolarHBondContact OG-CB 3.38Å; S161-F163 VanDerWaalsContact C-N 3.27Å; S161-F163 PolarHBondContact O-N 3.27Å; S161-V164 PolarHBondContact O-N 3.41Å; S161-V165 WeakPolarHBondContact O-CB 3.08Å; S161-V165 VanDerWaalsContact O-CG2 3.31Å; S161-V165 WeakPolarHBondContact O-CG2 3.42Å; S161-V165 PolarHBondContact O-N 2.85Å; S161-E192 WeakPolarHBondContact CA-OE1 3.19Å; S161-E192 WeakPolarHBondContact CB-OE1 3.3Å; S161-E192 PolarHBondContact OG-OE1 2.98Å; S161-D203 WeakPolarHBondContact OG-CB 3.43Å |
| 162 | A | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A37 V64 L151 S158 V165 A166 | A37-A162 HydrophobicContact CB-CB 4.44Å; A37-A162 WeakPolarHBondContact CB-O 3.44Å; V64-A162 HydrophobicContact CB-CB 4.34Å; V64-A162 HydrophobicContact CG2-CB 3.84Å; L151-A162 HydrophobicContact CD1-CB 4.37Å; S158-A162 WeakPolarHBondContact O-CB 3.37Å; S158-A162 PolarHBondContact O-N 2.98Å; A162-V165 PolarHBondContact O-N 3.09Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.15Å |
| 163 | F | 95.7 | Very high | 90.6 | Very high | 17 Ų | 17 | 13.1 Ų | 13.1 | 8% | 0.075 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 175.3 | -178.3 | -136.5 | 0 | 0 | 0 | 112.9 | V64 I66 W112 F116 V143 S159 S160 S161 V165 A166 S167 | V64-F163 HydrophobicContact CG1-CB 4.24Å; V64-F163 HydrophobicContact CG1-CD2 4.03Å; V64-F163 HydrophobicContact CG2-CB 4.38Å; I66-F163 HydrophobicContact CG2-CD2 4.19Å; I66-F163 HydrophobicContact CG2-CE2 4.05Å; W112-F163 AromaticContact CE3-CE1 3.94Å; W112-F163 HydrophobicContact CE3-CE1 3.94Å; W112-F163 HydrophobicContact CE3-CZ 4.08Å; W112-F163 HydrophobicContact CZ3-CE1 4.26Å; W112-F163 AromaticContact CZ3-CZ 3.92Å; W112-F163 HydrophobicContact CZ3-CZ 3.92Å; W112-F163 WeakPolarHBondContact O-CE1 3.31Å; F116-F163 HydrophobicContact CB-CE1 4.21Å; F116-F163 HydrophobicContact CB-CZ 3.98Å; F116-F163 HydrophobicContact CD2-CE2 4.5Å; F116-F163 HydrophobicContact CD2-CZ 4.27Å; V143-F163 HydrophobicContact CG2-CD2 4.44Å; V143-F163 HydrophobicContact CG2-CE2 3.61Å; V143-F163 HydrophobicContact CG2-CZ 3.94Å; S159-F163 PolarHBondContact O-N 3.49Å; S160-F163 WeakPolarHBondContact O-CB 3.33Å; S160-F163 PolarHBondContact O-N 2.86Å; S161-F163 VanDerWaalsContact C-N 3.27Å; S161-F163 PolarHBondContact O-N 3.27Å; F163-V165 VanDerWaalsContact C-N 3.34Å; F163-V165 PolarHBondContact O-N 3.4Å; F163-A166 PolarHBondContact O-N 2.94Å; F163-S167 WeakPolarHBondContact CE2-OG 3.11Å; F163-S167 VanDerWaalsContact O-CB 3.28Å; F163-S167 WeakPolarHBondContact O-CB 3.4Å; F163-S167 PolarHBondContact O-N 3.29Å; F163-S167 PolarHBondContact O-OG 2.86Å |
| 164 | V | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 172.1 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | Y115 A119 S160 S161 S167 A168 C188 C191 E192 | Y115-V164 HydrophobicContact CD1-CG2 3.87Å; Y115-V164 HydrophobicContact CG-CG2 4.41Å; A119-V164 HydrophobicContact CB-CG1 4.33Å; S160-V164 WeakPolarHBondContact O-CG2 3.34Å; S160-V164 PolarHBondContact O-N 3.26Å; S161-V164 PolarHBondContact O-N 3.41Å; V164-S167 PolarHBondContact O-N 2.97Å; V164-A168 WeakPolarHBondContact O-CB 3.22Å; V164-A168 PolarHBondContact O-N 2.9Å; V164-C188 HydrophobicContact CG1-CB 4.19Å; V164-C191 HydrophobicContact CG1-CB 3.81Å; V164-E192 HydrophobicContact CG2-CG 4.05Å |
| 165 | V | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 177.2 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | A37 S161 A162 F163 S167 A168 I169 C188 Q204 V208 A487 | A37-V165 HydrophobicContact CB-CB 4.16Å; A37-V165 HydrophobicContact CB-CG1 3.82Å; S161-V165 WeakPolarHBondContact O-CB 3.08Å; S161-V165 VanDerWaalsContact O-CG2 3.31Å; S161-V165 WeakPolarHBondContact O-CG2 3.42Å; S161-V165 PolarHBondContact O-N 2.85Å; A162-V165 PolarHBondContact O-N 3.09Å; F163-V165 VanDerWaalsContact C-N 3.34Å; F163-V165 PolarHBondContact O-N 3.4Å; V165-S167 VanDerWaalsContact C-N 3.29Å; V165-S167 PolarHBondContact O-N 2.76Å; V165-A168 PolarHBondContact O-N 3.18Å; V165-I169 HydrophobicContact CG1-CD1 3.79Å; V165-I169 VanDerWaalsContact O-CG1 3.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.41Å; V165-I169 PolarHBondContact O-N 2.85Å; V165-C188 HydrophobicContact CG2-CB 4Å; V165-Q204 HydrophobicContact CG2-CB 3.94Å; V165-Q204 HydrophobicContact CG2-CG 4.03Å; V165-V208 HydrophobicContact CB-CG2 4.37Å; V165-V208 HydrophobicContact CG1-CG2 3.42Å; V165-V208 VanDerWaalsContact CG1-CG2 3.42Å; V165-V208 HydrophobicContact CG2-CG2 3.96Å; V165-A487 HydrophobicContact CG1-CB 3.99Å |
| 166 | A | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | V35 A37 V64 I66 A162 F163 I169 A170 | V35-A166 HydrophobicContact CG1-CB 4.07Å; A37-A166 HydrophobicContact CB-CB 3.77Å; V64-A166 HydrophobicContact CG1-CB 4.37Å; I66-A166 VanDerWaalsContact CD1-C 3.48Å; I66-A166 HydrophobicContact CD1-CB 3.81Å; I66-A166 WeakPolarHBondContact CD1-O 3.45Å; I66-A166 HydrophobicContact CG1-CB 4.08Å; I66-A166 HydrophobicContact CG2-CB 4.4Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.15Å; F163-A166 PolarHBondContact O-N 2.94Å; A166-I169 PolarHBondContact O-N 3.22Å; A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 3.42Å |
| 167 | S | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | F116 F163 V164 V165 I169 A170 I171 | F116-S167 WeakPolarHBondContact CD2-OG 3.28Å; F163-S167 WeakPolarHBondContact CE2-OG 3.11Å; F163-S167 VanDerWaalsContact O-CB 3.28Å; F163-S167 WeakPolarHBondContact O-CB 3.4Å; F163-S167 PolarHBondContact O-N 3.29Å; F163-S167 PolarHBondContact O-OG 2.86Å; V164-S167 PolarHBondContact O-N 2.97Å; V165-S167 VanDerWaalsContact C-N 3.29Å; V165-S167 PolarHBondContact O-N 2.76Å; S167-I169 PolarHBondContact O-N 2.98Å; S167-A170 WeakPolarHBondContact O-CB 3.21Å; S167-A170 PolarHBondContact O-N 3.15Å; S167-I171 VanDerWaalsContact O-CD1 3.29Å; S167-I171 WeakPolarHBondContact O-CD1 3.47Å; S167-I171 WeakPolarHBondContact O-CG1 3.49Å; S167-I171 PolarHBondContact O-N 2.8Å |
| 168 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A119 V164 V165 A170 I171 M172 L184 C188 | A119-A168 HydrophobicContact CB-CB 4.05Å; V164-A168 WeakPolarHBondContact O-CB 3.22Å; V164-A168 PolarHBondContact O-N 2.9Å; V165-A168 PolarHBondContact O-N 3.18Å; A168-A170 VanDerWaalsContact C-N 3.34Å; A168-A170 PolarHBondContact O-N 2.68Å; A168-I171 PolarHBondContact O-N 3.21Å; A168-M172 WeakPolarHBondContact O-CB 3.43Å; A168-M172 PolarHBondContact O-N 3.38Å; A168-L184 HydrophobicContact CB-CD1 4.07Å; A168-C188 VanDerWaalsContact CB-SG 3.53Å |
| 169 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.3 | -67.1 | 168 | 0 | 0 | 0 | 110.7 | I7 V35 V165 A166 S167 M172 R173 L184 A487 I489 | I7-I169 HydrophobicContact CD1-CD1 3.87Å; I7-I169 HydrophobicContact CD1-CG1 4.1Å; I7-I169 HydrophobicContact CG1-CD1 4.39Å; I7-I169 HydrophobicContact CG1-CG1 4.21Å; I7-I169 HydrophobicContact CG2-CD1 4.35Å; I7-I169 HydrophobicContact CG2-CG2 4.13Å; V35-I169 HydrophobicContact CB-CG2 4.46Å; V35-I169 HydrophobicContact CG1-CB 3.84Å; V35-I169 HydrophobicContact CG1-CD1 4.13Å; V35-I169 HydrophobicContact CG1-CG2 3.68Å; V35-I169 HydrophobicContact CG2-CB 4.48Å; V35-I169 HydrophobicContact CG2-CG2 3.89Å; V165-I169 HydrophobicContact CG1-CD1 3.79Å; V165-I169 VanDerWaalsContact O-CG1 3.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.41Å; V165-I169 PolarHBondContact O-N 2.85Å; A166-I169 PolarHBondContact O-N 3.22Å; S167-I169 PolarHBondContact O-N 2.98Å; I169-M172 HydrophobicContact CG2-CE 4.47Å; I169-M172 PolarHBondContact O-N 2.96Å; I169-R173 VanDerWaalsContact O-CB 3.26Å; I169-R173 WeakPolarHBondContact O-CB 3.44Å; I169-R173 PolarHBondContact O-N 3.1Å; I169-L184 HydrophobicContact CD1-CD2 4.36Å; I169-L184 HydrophobicContact CG1-CD2 3.56Å; I169-A487 HydrophobicContact CD1-CB 3.55Å; I169-I489 HydrophobicContact CG2-CD1 3.85Å; I169-I489 HydrophobicContact CG2-CG1 3.6Å |
| 170 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F33 V35 I66 V68 A166 S167 A168 R173 I174 | F33-A170 HydrophobicContact CE2-CB 4.32Å; V35-A170 HydrophobicContact CG2-CB 4.12Å; I66-A170 HydrophobicContact CD1-CB 3.77Å; V68-A170 HydrophobicContact CG2-CB 3.65Å; A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 3.42Å; S167-A170 WeakPolarHBondContact O-CB 3.21Å; S167-A170 PolarHBondContact O-N 3.15Å; A168-A170 VanDerWaalsContact C-N 3.34Å; A168-A170 PolarHBondContact O-N 2.68Å; A170-R173 PolarHBondContact O-N 3.29Å; A170-I174 VanDerWaalsContact O-CG2 3.22Å; A170-I174 WeakPolarHBondContact O-CG2 3.3Å; A170-I174 PolarHBondContact O-N 3.34Å |
| 171 | I | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | -179.5 | -61.9 | 158 | 0 | 0 | 0 | 110.2 | F116 A119 Y120 I123 W134 P137 I139 S167 A168 S175 | F116-I171 HydrophobicContact CE1-CD1 4.1Å; F116-I171 HydrophobicContact CE2-CD1 4.33Å; F116-I171 HydrophobicContact CZ-CD1 3.82Å; F116-I171 HydrophobicContact CZ-CG1 3.96Å; A119-I171 HydrophobicContact CB-CD1 4.21Å; Y120-I171 HydrophobicContact CD2-CD1 3.58Å; Y120-I171 HydrophobicContact CD2-CG1 3.92Å; Y120-I171 HydrophobicContact CD2-CG2 4.23Å; Y120-I171 HydrophobicContact CE2-CG1 4.45Å; Y120-I171 HydrophobicContact CE2-CG2 4.34Å; Y120-I171 HydrophobicContact CG-CD1 4.07Å; I123-I171 HydrophobicContact CB-CG2 4.04Å; I123-I171 HydrophobicContact CG1-CB 4.22Å; I123-I171 HydrophobicContact CG1-CG2 3.97Å; I123-I171 HydrophobicContact CG2-CG2 3.92Å; W134-I171 HydrophobicContact CZ2-CG2 4.27Å; P137-I171 HydrophobicContact CG-CG2 4.2Å; I139-I171 HydrophobicContact CD1-CG1 4.03Å; S167-I171 VanDerWaalsContact O-CD1 3.29Å; S167-I171 WeakPolarHBondContact O-CD1 3.47Å; S167-I171 WeakPolarHBondContact O-CG1 3.49Å; S167-I171 PolarHBondContact O-N 2.8Å; A168-I171 PolarHBondContact O-N 3.21Å; I171-S175 WeakPolarHBondContact O-CB 3.26Å; I171-S175 PolarHBondContact O-N 3.35Å; I171-S175 VanDerWaalsContact O-N 3.13Å; I171-S175 PolarHBondContact O-OG 2.98Å |
| 172 | M | 97.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.049 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.7 | -52.8 | 173.4 | 177.7 | -166.9 | 75.5 | 0 | 0 | 111.2 | I7 I123 A168 I169 S175 G176 L177 I179 | I7-M172 HydrophobicContact CB-CE 4.43Å; I7-M172 HydrophobicContact CG1-CE 4Å; I123-M172 HydrophobicContact CD1-CB 4.31Å; A168-M172 WeakPolarHBondContact O-CB 3.43Å; A168-M172 PolarHBondContact O-N 3.38Å; I169-M172 HydrophobicContact CG2-CE 4.47Å; I169-M172 PolarHBondContact O-N 2.96Å; M172-S175 PolarHBondContact O-N 2.99Å; M172-G176 PolarHBondContact O-N 2.69Å; M172-L177 HydrophobicContact CG-CB 3.92Å; M172-L177 VanDerWaalsContact CG-O 3.29Å; M172-L177 WeakPolarHBondContact CG-O 3.4Å; M172-L177 PolarHBondContact O-N 3.28Å; M172-I179 HydrophobicContact CG-CB 4.43Å; M172-I179 HydrophobicContact CG-CD1 4.1Å; M172-I179 HydrophobicContact CG-CG1 4.03Å; M172-I179 HydrophobicContact SD-CB 3.67Å; M172-I179 HydrophobicContact SD-CD1 4.29Å; M172-I179 HydrophobicContact SD-CG1 3.95Å |
| 173 | R | 96.9 | Very high | 96 | Very high | 98 Ų | 98 | 27.3 Ų | 27.3 | 37% | 0.37 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65.2 | -45.1 | -174 | -177.9 | 58.6 | 166.8 | 112.6 | -10.9 | 112.6 | E9 F33 I169 A170 S175 G176 I489 | E9-R173 IonicContact OE1-CZ 3.14Å; E9-R173 IonicContact OE1-NE 2.97Å; E9-R173 IonicContact OE1-NH2 3.45Å; E9-R173 PolarHBondContact OE1-NH2 3.32Å; F33-R173 HydrophobicContact CD1-CG 4.15Å; F33-R173 HydrophobicContact CD2-CG 4.38Å; F33-R173 HydrophobicContact CE1-CB 4.27Å; F33-R173 HydrophobicContact CE1-CG 3.81Å; F33-R173 HydrophobicContact CE2-CB 4.06Å; F33-R173 HydrophobicContact CE2-CG 4.06Å; F33-R173 HydrophobicContact CG-CG 4.44Å; F33-R173 HydrophobicContact CZ-CB 3.76Å; F33-R173 HydrophobicContact CZ-CG 3.77Å; I169-R173 VanDerWaalsContact O-CB 3.26Å; I169-R173 WeakPolarHBondContact O-CB 3.44Å; I169-R173 PolarHBondContact O-N 3.1Å; A170-R173 PolarHBondContact O-N 3.29Å; R173-S175 VanDerWaalsContact C-N 3.31Å; R173-G176 PolarHBondContact O-N 3.49Å; R173-I489 HydrophobicContact CB-CD1 4.05Å; R173-I489 HydrophobicContact CG-CD1 3.89Å |
| 174 | I | 96.1 | Very high | 96 | Very high | 49 Ų | 49 | 26.5 Ų | 26.5 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -72.3 | -27 | -178.9 | -162.2 | 148.3 | 0 | 0 | 0 | 112.4 | F33 V68 P137 I139 A170 G176 | F33-I174 HydrophobicContact CE1-CB 4.1Å; F33-I174 HydrophobicContact CE1-CD1 4.42Å; F33-I174 HydrophobicContact CZ-CB 4.07Å; V68-I174 HydrophobicContact CG1-CD1 3.88Å; P137-I174 HydrophobicContact CB-CG2 3.81Å; P137-I174 HydrophobicContact CG-CG2 3.77Å; I139-I174 HydrophobicContact CG2-CD1 3.52Å; I139-I174 HydrophobicContact CG2-CG1 4.14Å; I139-I174 HydrophobicContact CG2-CG2 3.97Å; A170-I174 VanDerWaalsContact O-CG2 3.22Å; A170-I174 WeakPolarHBondContact O-CG2 3.3Å; A170-I174 PolarHBondContact O-N 3.34Å; I174-G176 VanDerWaalsContact C-N 3.27Å; I174-G176 PolarHBondContact O-N 3.5Å |
| 175 | S | 95.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 26.5 Ų | 26.5 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -5.3 | 173.5 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | W134 P137 I171 M172 R173 L177 | W134-S175 PolarHBondContact NE1-OG 3.44Å; P137-S175 WeakPolarHBondContact CD-OG 3.46Å; P137-S175 WeakPolarHBondContact CG-OG 3.49Å; I171-S175 WeakPolarHBondContact O-CB 3.26Å; I171-S175 PolarHBondContact O-N 3.35Å; I171-S175 VanDerWaalsContact O-N 3.13Å; I171-S175 PolarHBondContact O-OG 2.98Å; M172-S175 PolarHBondContact O-N 2.99Å; R173-S175 VanDerWaalsContact C-N 3.31Å; S175-L177 PolarHBondContact O-N 3.23Å |
| 176 | G | 94.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 27.7 Ų | 27.7 | 55% | 0.546 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 16.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M172 R173 I174 | M172-G176 PolarHBondContact O-N 2.69Å; R173-G176 PolarHBondContact O-N 3.49Å; I174-G176 VanDerWaalsContact C-N 3.27Å; I174-G176 PolarHBondContact O-N 3.5Å |
| 177 | L | 95.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | trans | -74.8 | 146.6 | 178.4 | -66.2 | 173.2 | 0 | 0 | 0 | 110.7 | I123 V127 L132 M172 S175 | I123-L177 HydrophobicContact CG2-CD1 3.63Å; V127-L177 HydrophobicContact CG2-CD1 3.76Å; V127-L177 HydrophobicContact CG2-CD2 4.21Å; L132-L177 HydrophobicContact CD1-CD2 4.24Å; M172-L177 HydrophobicContact CG-CB 3.92Å; M172-L177 VanDerWaalsContact CG-O 3.29Å; M172-L177 WeakPolarHBondContact CG-O 3.4Å; M172-L177 PolarHBondContact O-N 3.28Å; S175-L177 PolarHBondContact O-N 3.23Å | ||
| 178 | Q | 92 | Very high | 95.3 | Very high | 128 Ų | 128 | 28.5 Ų | 28.5 | 60% | 0.598 | 15% | 0.151 | S | C | * | . | trans | -115.2 | 105.4 | 175 | -62.4 | -64.2 | -30.9 | 0 | 0 | 108.5 | F6 | F6-Q178 HydrophobicContact CE1-CB 4.16Š| ||
| 179 | I | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -120.1 | 130.6 | 177.6 | -50.7 | 179.1 | 0 | 0 | 0 | 107.4 | I123 Y126 M172 E183 L184 L187 | I123-I179 HydrophobicContact CD1-CD1 3.7Å; Y126-I179 HydrophobicContact CD1-CD1 3.72Å; Y126-I179 HydrophobicContact CD1-CG1 4.15Å; Y126-I179 HydrophobicContact CE1-CD1 3.76Å; Y126-I179 HydrophobicContact CE1-CG1 3.65Å; Y126-I179 HydrophobicContact CE1-CG2 4.5Å; Y126-I179 HydrophobicContact CE2-CG2 4.06Å; Y126-I179 HydrophobicContact CG-CD1 4.19Å; M172-I179 HydrophobicContact CG-CB 4.43Å; M172-I179 HydrophobicContact CG-CD1 4.1Å; M172-I179 HydrophobicContact CG-CG1 4.03Å; M172-I179 HydrophobicContact SD-CB 3.67Å; M172-I179 HydrophobicContact SD-CD1 4.29Å; M172-I179 HydrophobicContact SD-CG1 3.95Å; I179-E183 HydrophobicContact CG2-CB 3.75Å; I179-L184 HydrophobicContact CG2-CB 4.16Å; I179-L184 HydrophobicContact CG2-CD1 4.43Å; I179-L187 HydrophobicContact CD1-CD2 4.33Å | ||
| 180 | S | 93.5 | Very high | 94.8 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 6% | 0.056 | 18% | 0.179 | C | C | . | . | trans | -64.3 | 154.7 | 176.4 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | D5 H182 E183 L184 | D5-S180 CarbonylContact O-C 3.5Å; D5-S180 WeakPolarHBondContact O-CA 3.4Å; D5-S180 WeakPolarHBondContact OD2-CB 3.14Å; S180-H182 VanDerWaalsContact C-N 3.25Å; S180-H182 PolarHBondContact O-N 3.39Å; S180-E183 WeakPolarHBondContact CB-OE2 3.19Å; S180-E183 PolarHBondContact O-N 3.5Å; S180-E183 VanDerWaalsContact OG-CB 3.32Å; S180-E183 WeakPolarHBondContact OG-CB 3.48Å; S180-E183 WeakPolarHBondContact OG-CG 3.41Å; S180-E183 PolarHBondContact OG-N 3.38Å; S180-E183 PolarHBondContact OG-OE2 2.97Å; S180-L184 VanDerWaalsContact O-CB 3.29Å; S180-L184 WeakPolarHBondContact O-CB 3.31Å; S180-L184 PolarHBondContact O-N 3.24Å | ||
| 181 | R | 94.1 | Very high | 94.6 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -39.4 | 177.8 | -70.1 | -173.1 | -37.5 | 158.9 | 14.8 | 112.2 | D5 F6 I7 L184 A185 V208 L209 | D5-R181 VanDerWaalsContact O-CG 3.32Å; D5-R181 WeakPolarHBondContact O-CG 3.34Å; D5-R181 PolarHBondContact O-N 3.48Å; D5-R181 IonicContact OD1-NE 2.71Å; F6-R181 WeakPolarHBondContact O-CD 3.38Å; I7-R181 HydrophobicContact CD1-CG 4.06Å; R181-L184 PolarHBondContact O-N 3.38Å; R181-A185 WeakPolarHBondContact O-CB 3.36Å; R181-A185 PolarHBondContact O-N 2.89Å; R181-V208 HydrophobicContact CB-CG1 3.78Å; R181-V208 HydrophobicContact CG-CG1 4.14Å; R181-V208 WeakPolarHBondContact O-CG1 3.5Å; R181-L209 HydrophobicContact CB-CD2 3.61Å |
| 182 | H | 92.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.6 | -42 | -179.3 | -69.3 | 90.3 | 0 | 0 | 0 | 112.3 | D5 S180 S186 V225 | D5-H182 IonicContact OD1-CE1 3.35Å; D5-H182 PolarHBondContact OD1-CE1 3.42Å; D5-H182 IonicContact OD1-CG 2.78Å; D5-H182 IonicContact OD1-ND1 3.01Å; D5-H182 PolarHBondContact OD1-ND1 2.94Å; D5-H182 IonicContact OD2-ND1 3.76Å; S180-H182 VanDerWaalsContact C-N 3.25Å; S180-H182 PolarHBondContact O-N 3.39Å; H182-S186 PolarHBondContact O-N 3.27Å; H182-S186 PolarHBondContact O-OG 3.45Å; H182-V225 PolarHBondContact CD2-O 3.42Å; H182-V225 VanDerWaalsContact CD2-O 3.31Å |
| 183 | E | 92.8 | Very high | 94.2 | Very high | 72 Ų | 72 | 38.5 Ų | 38.5 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 173.5 | -72.2 | 171.7 | 120.8 | 0 | 0 | 110.8 | Y126 I179 S180 S186 L187 | Y126-E183 HydrophobicContact CE2-CB 4.47Å; I179-E183 HydrophobicContact CG2-CB 3.75Å; S180-E183 WeakPolarHBondContact CB-OE2 3.19Å; S180-E183 PolarHBondContact O-N 3.5Å; S180-E183 VanDerWaalsContact OG-CB 3.32Å; S180-E183 WeakPolarHBondContact OG-CB 3.48Å; S180-E183 WeakPolarHBondContact OG-CG 3.41Å; S180-E183 PolarHBondContact OG-N 3.38Å; S180-E183 PolarHBondContact OG-OE2 2.97Å; E183-S186 PolarHBondContact O-N 2.98Å; E183-L187 WeakPolarHBondContact O-CB 3.49Å; E183-L187 PolarHBondContact O-N 3.48Å |
| 184 | L | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 179.6 | -168.3 | 68.5 | 0 | 0 | 0 | 112.4 | I7 A168 I169 I179 S180 R181 S186 L187 C188 V208 | I7-L184 HydrophobicContact CD1-CD2 3.75Å; I7-L184 HydrophobicContact CG1-CD2 3.97Å; A168-L184 HydrophobicContact CB-CD1 4.07Å; I169-L184 HydrophobicContact CD1-CD2 4.36Å; I169-L184 HydrophobicContact CG1-CD2 3.56Å; I179-L184 HydrophobicContact CG2-CB 4.16Å; I179-L184 HydrophobicContact CG2-CD1 4.43Å; S180-L184 VanDerWaalsContact O-CB 3.29Å; S180-L184 WeakPolarHBondContact O-CB 3.31Å; S180-L184 PolarHBondContact O-N 3.24Å; R181-L184 PolarHBondContact O-N 3.38Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-S186 PolarHBondContact O-N 3.37Å; L184-L187 HydrophobicContact CD1-CD2 4.41Å; L184-L187 PolarHBondContact O-N 2.99Å; L184-C188 WeakPolarHBondContact O-CB 3.38Å; L184-C188 PolarHBondContact O-N 2.86Å; L184-C188 PolarHBondContact O-SG 2.91Å; L184-V208 HydrophobicContact CD2-CG1 4.49Å |
| 185 | A | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R181 L187 C188 A189 A205 V208 L209 | R181-A185 WeakPolarHBondContact O-CB 3.36Å; R181-A185 PolarHBondContact O-N 2.89Å; A185-L187 VanDerWaalsContact C-N 3.32Å; A185-L187 PolarHBondContact O-N 2.91Å; A185-C188 PolarHBondContact O-N 2.84Å; A185-A189 PolarHBondContact O-N 3.1Å; A185-A205 HydrophobicContact CB-CB 4.38Å; A185-V208 HydrophobicContact CB-CB 4.29Å; A185-L209 HydrophobicContact CB-CD1 3.98Å; A185-L209 HydrophobicContact CB-CG 4.18Å |
| 186 | S | 93 | Very high | 93.5 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | H182 E183 L184 K190 | H182-S186 PolarHBondContact O-N 3.27Å; H182-S186 PolarHBondContact O-OG 3.45Å; E183-S186 PolarHBondContact O-N 2.98Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-S186 PolarHBondContact O-N 3.37Å; S186-K190 WeakPolarHBondContact O-CG 3.45Å; S186-K190 PolarHBondContact O-N 2.91Å |
| 187 | L | 94.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.9 | -51.3 | 176.6 | -179.7 | 61.2 | 0 | 0 | 0 | 110.6 | G122 I123 Y126 I179 E183 L184 A185 A189 K190 C191 | G122-L187 WeakPolarHBondContact O-CD1 3.44Å; I123-L187 HydrophobicContact CD1-CD2 3.9Å; Y126-L187 HydrophobicContact CD2-CD2 4.31Å; Y126-L187 HydrophobicContact CG-CD2 4.21Å; I179-L187 HydrophobicContact CD1-CD2 4.33Å; E183-L187 WeakPolarHBondContact O-CB 3.49Å; E183-L187 PolarHBondContact O-N 3.48Å; L184-L187 HydrophobicContact CD1-CD2 4.41Å; L184-L187 PolarHBondContact O-N 2.99Å; A185-L187 VanDerWaalsContact C-N 3.32Å; A185-L187 PolarHBondContact O-N 2.91Å; L187-A189 VanDerWaalsContact C-N 3.26Å; L187-A189 PolarHBondContact O-N 3.32Å; L187-K190 CarbonylContact O-C 3.49Å; L187-K190 WeakPolarHBondContact O-CA 3.42Å; L187-K190 WeakPolarHBondContact O-CB 3.31Å; L187-K190 PolarHBondContact O-N 3.49Å; L187-C191 PolarHBondContact O-N 3.36Å; L187-C191 PolarHBondContact O-SG 3.46Å |
| 188 | C | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -35.3 | -179 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | V164 V165 A168 L184 A185 K190 C191 E192 Q204 | V164-C188 HydrophobicContact CG1-CB 4.19Å; V165-C188 HydrophobicContact CG2-CB 4Å; A168-C188 VanDerWaalsContact CB-SG 3.53Å; L184-C188 WeakPolarHBondContact O-CB 3.38Å; L184-C188 PolarHBondContact O-N 2.86Å; L184-C188 PolarHBondContact O-SG 2.91Å; A185-C188 PolarHBondContact O-N 2.84Å; C188-K190 VanDerWaalsContact C-N 3.29Å; C188-K190 PolarHBondContact O-N 3.23Å; C188-C191 WeakPolarHBondContact O-CB 3.35Å; C188-C191 PolarHBondContact O-N 3.28Å; C188-E192 PolarHBondContact O-N 3.1Å; C188-Q204 HydrophobicContact CB-CB 3.82Å; C188-Q204 HydrophobicContact CB-CG 3.57Å |
| 189 | A | 93.7 | Very high | 93 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 12% | 0.124 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A185 L187 | A185-A189 PolarHBondContact O-N 3.1Å; L187-A189 VanDerWaalsContact C-N 3.26Å; L187-A189 PolarHBondContact O-N 3.32Å |
| 190 | K | 93.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 26.8 Ų | 26.8 | 46% | 0.461 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -74.2 | -35.2 | 174.1 | -66.8 | 173.1 | -175.6 | 174.2 | 0 | 112.2 | S186 L187 C188 E192 Q193 | S186-K190 WeakPolarHBondContact O-CG 3.45Å; S186-K190 PolarHBondContact O-N 2.91Å; L187-K190 CarbonylContact O-C 3.49Å; L187-K190 WeakPolarHBondContact O-CA 3.42Å; L187-K190 WeakPolarHBondContact O-CB 3.31Å; L187-K190 PolarHBondContact O-N 3.49Å; C188-K190 VanDerWaalsContact C-N 3.29Å; C188-K190 PolarHBondContact O-N 3.23Å; K190-E192 PolarHBondContact O-N 3.15Å; K190-Q193 VanDerWaalsContact O-CB 3.27Å; K190-Q193 WeakPolarHBondContact O-CB 3.31Å; K190-Q193 PolarHBondContact O-N 2.91Å |
| 191 | C | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.8 | -41.6 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | C118 V164 L187 C188 Q193 Y194 | C118-C191 HydrophobicContact CB-CB 4.09Å; C118-C191 VanDerWaalsContact CB-O 3.23Å; C118-C191 WeakPolarHBondContact CB-O 3.45Å; C118-C191 WeakPolarHBondContact O-CB 3.47Å; C118-C191 PolarHBondContact SG-O 3.15Å; V164-C191 HydrophobicContact CG1-CB 3.81Å; L187-C191 PolarHBondContact O-N 3.36Å; L187-C191 PolarHBondContact O-SG 3.46Å; C188-C191 WeakPolarHBondContact O-CB 3.35Å; C188-C191 PolarHBondContact O-N 3.28Å; C191-Q193 PolarHBondContact O-N 2.6Å; C191-Y194 WeakPolarHBondContact O-CD2 3.3Å; C191-Y194 PolarHBondContact O-N 2.97Å; C191-Y194 VanDerWaalsContact O-N 3.16Å |
| 192 | E | 92.9 | Very high | 93 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -65.8 | -17 | 179 | -71.7 | -173.6 | -170.3 | 0 | 0 | 113.9 | S161 V164 C188 K190 Y194 I195 M197 Q204 | S161-E192 WeakPolarHBondContact CA-OE1 3.19Å; S161-E192 WeakPolarHBondContact CB-OE1 3.3Å; S161-E192 PolarHBondContact OG-OE1 2.98Å; V164-E192 HydrophobicContact CG2-CG 4.05Å; C188-E192 PolarHBondContact O-N 3.1Å; K190-E192 PolarHBondContact O-N 3.15Å; E192-Y194 PolarHBondContact O-N 3.45Å; E192-I195 WeakPolarHBondContact O-CG2 3.43Å; E192-I195 PolarHBondContact O-N 2.71Å; E192-M197 HydrophobicContact CB-CB 4.25Å; E192-M197 WeakPolarHBondContact O-CB 3.43Å; E192-M197 PolarHBondContact O-N 3.25Å; E192-Q204 PolarHBondContact OE1-NE2 3.09Å; E192-Q204 PolarHBondContact OE2-NE2 3.07Å |
| 193 | Q | 92.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 23 Ų | 23 | 45% | 0.453 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -68.2 | -27.1 | 175.5 | -60 | -178.1 | 1.4 | 0 | 0 | 111.9 | K190 C191 I195 G196 | K190-Q193 VanDerWaalsContact O-CB 3.27Å; K190-Q193 WeakPolarHBondContact O-CB 3.31Å; K190-Q193 PolarHBondContact O-N 2.91Å; C191-Q193 PolarHBondContact O-N 2.6Å; Q193-I195 PolarHBondContact O-N 2.85Å; Q193-G196 WeakPolarHBondContact O-CA 3.4Å; Q193-G196 PolarHBondContact O-N 3.32Å |
| 194 | Y | 92.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 19.5 Ų | 19.5 | 20% | 0.204 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -65.7 | -22.4 | 176.3 | -56 | -62.1 | 0 | 0 | 0 | 112.9 | R121 D125 C191 E192 G196 | R121-Y194 HydrophobicContact CB-CD2 4.04Å; R121-Y194 HydrophobicContact CB-CE2 4.17Å; R121-Y194 HydrophobicContact CG-CD1 3.93Å; R121-Y194 HydrophobicContact CG-CD2 3.67Å; R121-Y194 HydrophobicContact CG-CE1 3.78Å; R121-Y194 HydrophobicContact CG-CE2 3.55Å; R121-Y194 HydrophobicContact CG-CG 3.91Å; D125-Y194 VanDerWaalsContact OD2-CZ 3.27Å; D125-Y194 PolarHBondContact OD2-OH 2.93Å; C191-Y194 WeakPolarHBondContact O-CD2 3.3Å; C191-Y194 PolarHBondContact O-N 2.97Å; C191-Y194 VanDerWaalsContact O-N 3.16Å; E192-Y194 PolarHBondContact O-N 3.45Å; Y194-G196 VanDerWaalsContact C-N 3.33Å |
| 195 | I | 91.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -93.5 | 8 | 172.6 | -146.4 | 172.2 | 0 | 0 | 0 | 112.7 | P107 P110 H114 Y115 E192 Q193 M197 | P107-I195 HydrophobicContact CG-CG1 3.86Å; P110-I195 HydrophobicContact CB-CD1 3.74Å; P110-I195 HydrophobicContact CB-CG1 3.98Å; P110-I195 HydrophobicContact CG-CD1 4.41Å; P110-I195 HydrophobicContact CG-CG1 4.11Å; H114-I195 HydrophobicContact CB-CD1 3.51Å; H114-I195 HydrophobicContact CB-CG1 4.18Å; Y115-I195 HydrophobicContact CD1-CD1 4.3Å; Y115-I195 HydrophobicContact CD2-CD1 4.3Å; Y115-I195 HydrophobicContact CE1-CD1 4.13Å; Y115-I195 HydrophobicContact CE1-CG2 4.35Å; Y115-I195 HydrophobicContact CE2-CD1 4.15Å; Y115-I195 HydrophobicContact CG-CD1 4.38Å; E192-I195 WeakPolarHBondContact O-CG2 3.43Å; E192-I195 PolarHBondContact O-N 2.71Å; Q193-I195 PolarHBondContact O-N 2.85Å; I195-M197 HydrophobicContact CG2-CB 4.37Å; I195-M197 HydrophobicContact CG2-CG 3.74Å |
| 196 | G | 90.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 13% | 0.134 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q193 Y194 N256 | Q193-G196 WeakPolarHBondContact O-CA 3.4Å; Q193-G196 PolarHBondContact O-N 3.32Å; Y194-G196 VanDerWaalsContact C-N 3.33Å; G196-N256 PolarHBondContact O-ND2 3.24Å |
| 197 | M | 91.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | trans | -77.5 | 129.4 | -179.5 | -68.7 | -53.4 | -43.3 | 0 | 0 | 112.1 | E192 I195 G199 K249 A250 Y255 | E192-M197 HydrophobicContact CB-CB 4.25Å; E192-M197 WeakPolarHBondContact O-CB 3.43Å; E192-M197 PolarHBondContact O-N 3.25Å; I195-M197 HydrophobicContact CG2-CB 4.37Å; I195-M197 HydrophobicContact CG2-CG 3.74Å; M197-G199 VanDerWaalsContact C-N 3.31Å; M197-G199 PolarHBondContact O-N 2.81Å; M197-K249 HydrophobicContact CE-CB 4.41Å; M197-K249 HydrophobicContact CE-CD 3.73Å; M197-K249 HydrophobicContact CE-CG 3.51Å; M197-K249 HydrophobicContact SD-CG 4.4Å; M197-A250 HydrophobicContact CG-CB 4.14Å; M197-A250 WeakPolarHBondContact SD-CA 3.42Å; M197-A250 HydrophobicContact SD-CB 3.43Å; M197-A250 WeakPolarHBondContact SD-CB 3.23Å; M197-Y255 HydrophobicContact CE-CD1 3.55Å; M197-Y255 HydrophobicContact CE-CE1 4.12Å; M197-Y255 HydrophobicContact CE-CG 3.98Å | ||
| 198 | Q | 91.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 17.6 Ų | 17.6 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | trans | -98.7 | 37.9 | 176.3 | -59.2 | -63.8 | -57.8 | 0 | 0 | 112.2 | N256 V259 R263 T345 | Q198-N256 WeakPolarHBondContact CB-OD1 3.05Å; Q198-N256 PolarHBondContact N-OD1 3.37Å; Q198-V259 HydrophobicContact CB-CB 4.22Å; Q198-V259 HydrophobicContact CB-CG1 3.92Å; Q198-V259 HydrophobicContact CB-CG2 4.11Å; Q198-V259 WeakPolarHBondContact O-CG2 3.48Å; Q198-R263 VanDerWaalsContact OE1-NH1 3.13Å; Q198-T345 HydrophobicContact CG-CG2 3.49Å; Q198-T345 VanDerWaalsContact CG-CG2 3.49Å | ||
| 199 | G | 89.2 | Confident | 93.8 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 12% | 0.124 | 9% | 0.094 | C | C | . | . | trans | -63.4 | 161.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M197 Y255 | M197-G199 VanDerWaalsContact C-N 3.31Å; M197-G199 PolarHBondContact O-N 2.81Å; G199-Y255 WeakPolarHBondContact CA-OH 3.17Å | ||
| 200 | G | 90.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 11% | 0.113 | 9% | 0.09 | C | C | . | . | trans | -82.9 | -158.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D49 | D49-G200 WeakPolarHBondContact OD2-CA 3.26Å; D49-G200 PolarHBondContact OD2-N 3.44Å | ||
| 201 | G | 93.4 | Very high | 94 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 8% | 0.082 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -104.7 | 7.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D203 A205 | G201-D203 PolarHBondContact O-N 2.86Å; G201-A205 WeakPolarHBondContact O-CB 3.49Å; G201-A205 PolarHBondContact O-N 3.34Å |
| 202 | M | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | -173.5 | 175 | 174 | 49.6 | 0 | 0 | 112 | R40 N42 D49 V55 P57 Q204 A205 A206 F220 | R40-M202 VanDerWaalsContact NH2-CE 3.27Å; N42-M202 HydrophobicContact CB-CE 4.35Å; N42-M202 HydrophobicContact CB-SD 3.96Å; D49-M202 HydrophobicContact CB-CB 4.02Å; D49-M202 WeakPolarHBondContact OD2-CB 3.28Å; D49-M202 PolarHBondContact OD2-N 3.21Å; V55-M202 HydrophobicContact CB-CG 4.37Å; V55-M202 HydrophobicContact CB-SD 3.76Å; V55-M202 HydrophobicContact CG1-SD 4.07Å; V55-M202 HydrophobicContact CG2-CB 3.9Å; V55-M202 HydrophobicContact CG2-CG 3.59Å; V55-M202 HydrophobicContact CG2-SD 3.66Å; P57-M202 HydrophobicContact CB-CG 4.41Å; P57-M202 HydrophobicContact CB-SD 4.34Å; P57-M202 HydrophobicContact CG-CG 3.97Å; P57-M202 HydrophobicContact CG-SD 4.31Å; M202-Q204 PolarHBondContact O-N 3Å; M202-A205 PolarHBondContact O-N 3.1Å; M202-A206 WeakPolarHBondContact O-CB 3.47Å; M202-A206 PolarHBondContact O-N 2.91Å; M202-F220 HydrophobicContact CB-CZ 4.1Å |
| 203 | D | 96 | Very high | 93.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | -172.1 | -71.6 | -22.5 | 0 | 0 | 0 | 111.5 | R40 S158 S161 G201 S207 K249 | R40-D203 IonicContact CZ-OD1 3.94Å; R40-D203 IonicContact NE-OD1 3.56Å; R40-D203 PolarHBondContact NE-OD1 3.27Å; R40-D203 IonicContact NH2-OD1 3.69Å; R40-D203 PolarHBondContact NH2-OD1 3.03Å; S158-D203 WeakPolarHBondContact OG-CB 3.39Å; S158-D203 PolarHBondContact OG-OD1 2.88Å; S161-D203 WeakPolarHBondContact OG-CB 3.43Å; G201-D203 PolarHBondContact O-N 2.86Å; D203-S207 PolarHBondContact O-N 2.93Å; D203-K249 IonicContact OD2-NZ 3.97Å; D203-K249 PolarHBondContact OD2-NZ 3.3Å |
| 204 | Q | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -79 | -39 | -177.1 | -54.9 | 79.8 | 9.1 | 0 | 0 | 111.3 | V165 C188 E192 M202 S207 V208 | V165-Q204 HydrophobicContact CG2-CB 3.94Å; V165-Q204 HydrophobicContact CG2-CG 4.03Å; C188-Q204 HydrophobicContact CB-CB 3.82Å; C188-Q204 HydrophobicContact CB-CG 3.57Å; E192-Q204 PolarHBondContact OE1-NE2 3.09Å; E192-Q204 PolarHBondContact OE2-NE2 3.07Å; M202-Q204 PolarHBondContact O-N 3Å; Q204-S207 PolarHBondContact O-N 3.5Å; Q204-V208 WeakPolarHBondContact O-CB 3.45Å; Q204-V208 WeakPolarHBondContact O-CG2 3.45Å; Q204-V208 PolarHBondContact O-N 3.17Å |
| 205 | A | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A185 G201 M202 S207 V208 L209 I218 V225 | A185-A205 HydrophobicContact CB-CB 4.38Å; G201-A205 WeakPolarHBondContact O-CB 3.49Å; G201-A205 PolarHBondContact O-N 3.34Å; M202-A205 PolarHBondContact O-N 3.1Å; A205-S207 PolarHBondContact O-N 3.3Å; A205-V208 PolarHBondContact O-N 3.08Å; A205-L209 HydrophobicContact CB-CD1 4.18Å; A205-L209 WeakPolarHBondContact O-CA 3.37Å; A205-L209 VanDerWaalsContact O-CB 3.24Å; A205-L209 WeakPolarHBondContact O-CB 3.17Å; A205-L209 PolarHBondContact O-N 3.19Å; A205-I218 HydrophobicContact CB-CD1 3.88Å; A205-I218 HydrophobicContact CB-CG2 3.81Å; A205-V225 HydrophobicContact CB-CG1 3.88Å |
| 206 | A | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -32.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R40 P57 M202 A210 I218 | R40-A206 HydrophobicContact CB-CB 3.69Å; R40-A206 HydrophobicContact CG-CB 3.98Å; P57-A206 HydrophobicContact CB-CB 4.15Å; P57-A206 HydrophobicContact CG-CB 3.77Å; M202-A206 WeakPolarHBondContact O-CB 3.47Å; M202-A206 PolarHBondContact O-N 2.91Å; A206-A210 WeakPolarHBondContact O-CB 3.41Å; A206-I218 HydrophobicContact CB-CD1 4.03Å |
| 207 | S | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -74.9 | -45.9 | 178.4 | -166 | 0 | 0 | 0 | 0 | 112.8 | P38 D203 Q204 A205 P486 A487 | P38-S207 WeakPolarHBondContact CD-OG 3.46Å; P38-S207 WeakPolarHBondContact O-CB 3.47Å; P38-S207 PolarHBondContact O-OG 3.32Å; D203-S207 PolarHBondContact O-N 2.93Å; Q204-S207 PolarHBondContact O-N 3.5Å; A205-S207 PolarHBondContact O-N 3.3Å; S207-P486 CarbonylContact O-C 3.58Å; S207-P486 WeakPolarHBondContact O-CA 3.36Å; S207-A487 PolarHBondContact O-N 2.88Å |
| 208 | V | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -90 | -36.7 | -170.9 | 177.9 | 0 | 0 | 0 | 0 | 113.1 | I7 V165 R181 L184 A185 Q204 A205 | I7-V208 HydrophobicContact CD1-CG1 3.94Å; V165-V208 HydrophobicContact CB-CG2 4.37Å; V165-V208 HydrophobicContact CG1-CG2 3.42Å; V165-V208 VanDerWaalsContact CG1-CG2 3.42Å; V165-V208 HydrophobicContact CG2-CG2 3.96Å; R181-V208 HydrophobicContact CB-CG1 3.78Å; R181-V208 HydrophobicContact CG-CG1 4.14Å; R181-V208 WeakPolarHBondContact O-CG1 3.5Å; L184-V208 HydrophobicContact CD2-CG1 4.49Å; A185-V208 HydrophobicContact CB-CB 4.29Å; Q204-V208 WeakPolarHBondContact O-CB 3.45Å; Q204-V208 WeakPolarHBondContact O-CG2 3.45Å; Q204-V208 PolarHBondContact O-N 3.17Å; A205-V208 PolarHBondContact O-N 3.08Å |
| 209 | L | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -102.1 | 5.3 | -172.1 | -57.1 | 172.7 | 0 | 0 | 0 | 113.2 | R181 A185 A205 L216 V225 V227 | R181-L209 HydrophobicContact CB-CD2 3.61Å; A185-L209 HydrophobicContact CB-CD1 3.98Å; A185-L209 HydrophobicContact CB-CG 4.18Å; A205-L209 HydrophobicContact CB-CD1 4.18Å; A205-L209 WeakPolarHBondContact O-CA 3.37Å; A205-L209 VanDerWaalsContact O-CB 3.24Å; A205-L209 WeakPolarHBondContact O-CB 3.17Å; A205-L209 PolarHBondContact O-N 3.19Å; L209-L216 HydrophobicContact CB-CD2 4.2Å; L209-V225 HydrophobicContact CD1-CG1 4.19Å; L209-V227 HydrophobicContact CB-CG1 3.9Å; L209-V227 HydrophobicContact CB-CG2 4.17Å; L209-V227 HydrophobicContact CD1-CG1 3.71Å; L209-V227 HydrophobicContact CG-CG1 4.45Å |
| 210 | A | 96.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | trans | -55.4 | 149.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 A206 P486 | A59-A210 HydrophobicContact CB-CB 3.61Å; A206-A210 WeakPolarHBondContact O-CB 3.41Å; A210-P486 HydrophobicContact CB-CB 4.02Å; A210-P486 WeakPolarHBondContact O-CB 3.43Å; A210-P486 WeakPolarHBondContact O-CD 3.34Å; A210-P486 VanDerWaalsContact O-CG 3.28Å; A210-P486 WeakPolarHBondContact O-CG 3.25Å | ||
| 211 | V | 94.7 | Very high | 94.5 | Very high | 53 Ų | 53 | 23.6 Ų | 23.6 | 32% | 0.321 | 13% | 0.126 | S | C | . | . | trans | -119.9 | 124.8 | 170.2 | 178.4 | 0 | 0 | 0 | 0 | 106.2 | N213 N214 P229 | V211-N213 PolarHBondContact O-N 2.86Å; V211-N214 HydrophobicContact CB-CB 4.25Å; V211-N214 HydrophobicContact CG1-CB 4.43Å; V211-N214 WeakPolarHBondContact O-CB 3.37Å; V211-N214 PolarHBondContact O-N 3.19Å; V211-N214 VanDerWaalsContact O-N 3.08Å; V211-P229 HydrophobicContact CB-CB 4.13Å; V211-P229 HydrophobicContact CB-CG 4.08Å; V211-P229 HydrophobicContact CG1-CB 4.48Å; V211-P229 HydrophobicContact CG2-CB 4.18Å; V211-P229 HydrophobicContact CG2-CG 3.56Å | ||
| 212 | E | 92.8 | Very high | 93.5 | Very high | 108 Ų | 108 | 30.5 Ų | 30.5 | 51% | 0.505 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 140.6 | -178.2 | -167.3 | 177.7 | 178.5 | 0 | 0 | 110.8 | N214 R485 | E212-N214 PolarHBondContact O-N 2.85Å; E212-N214 PolarHBondContact O-ND2 2.88Å; E212-R485 HydrophobicContact CB-CB 4.23Å; E212-R485 HydrophobicContact CG-CB 4.16Å |
| 213 | N | 93.1 | Very high | 92.2 | Very high | 88 Ų | 88 | 35.6 Ų | 35.6 | 47% | 0.471 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 11.6 | -177.4 | -54.4 | -54.7 | 0 | 0 | 0 | 115.9 | V211 P483 | V211-N213 PolarHBondContact O-N 2.86Å; N213-P483 PolarHBondContact N-O 3.27Å |
| 214 | N | 95.2 | Very high | 91.1 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.3 | 178.4 | -68.4 | -99.4 | 0 | 0 | 0 | 112 | V211 E212 P229 I230 Q231 P483 | V211-N214 HydrophobicContact CB-CB 4.25Å; V211-N214 HydrophobicContact CG1-CB 4.43Å; V211-N214 WeakPolarHBondContact O-CB 3.37Å; V211-N214 PolarHBondContact O-N 3.19Å; V211-N214 VanDerWaalsContact O-N 3.08Å; E212-N214 PolarHBondContact O-N 2.85Å; E212-N214 PolarHBondContact O-ND2 2.88Å; N214-P229 HydrophobicContact CB-CB 3.92Å; N214-I230 CarbonylContact C-O 3.6Å; N214-I230 WeakPolarHBondContact CA-O 2.82Å; N214-I230 VanDerWaalsContact OD1-C 3.27Å; N214-Q231 WeakPolarHBondContact OD1-CA 3.46Å; N214-Q231 PolarHBondContact OD1-N 3.38Å; N214-P483 VanDerWaalsContact C-CB 3.48Å; N214-P483 WeakPolarHBondContact O-CB 3.42Å |
| 215 | A | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 160.7 | 157 | 0 | 0 | 0 | 0 | 0 | 109.2 | L43 L56 M58 I230 L232 | L43-A215 HydrophobicContact CD1-CB 3.82Å; L56-A215 HydrophobicContact CD1-CB 4.48Å; M58-A215 HydrophobicContact CB-CB 4.47Å; A215-I230 HydrophobicContact CB-CG2 3.99Å; A215-I230 PolarHBondContact N-O 2.83Å; A215-I230 PolarHBondContact O-N 3.49Å; A215-L232 HydrophobicContact CB-CD1 3.79Å; A215-L232 HydrophobicContact CB-CD2 4.14Å; A215-L232 HydrophobicContact CB-CG 4.05Å |
| 216 | L | 96.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 113.5 | -171.1 | -158.6 | 65 | 0 | 0 | 0 | 110.1 | L56 P57 L209 I218 V227 P229 | L56-L216 WeakPolarHBondContact CA-O 3.3Å; P57-L216 VanDerWaalsContact CD-O 3.29Å; P57-L216 WeakPolarHBondContact CD-O 3.37Å; P57-L216 PolarHBondContact O-N 2.93Å; L209-L216 HydrophobicContact CB-CD2 4.2Å; L216-I218 HydrophobicContact CB-CG1 4.1Å; L216-I218 HydrophobicContact CD2-CD1 4Å; L216-I218 HydrophobicContact CD2-CG1 3.81Å; L216-I218 HydrophobicContact CG-CD1 4.48Å; L216-I218 HydrophobicContact CG-CG1 3.85Å; L216-I218 PolarHBondContact O-N 3.43Å; L216-V227 HydrophobicContact CD1-CB 3.69Å; L216-V227 HydrophobicContact CD1-CG1 4.37Å; L216-V227 HydrophobicContact CD1-CG2 4.1Å; L216-V227 HydrophobicContact CD2-CB 4Å; L216-V227 HydrophobicContact CD2-CG1 3.73Å; L216-V227 HydrophobicContact CG-CB 3.8Å; L216-V227 HydrophobicContact CG-CG1 3.98Å; L216-P229 HydrophobicContact CD1-CB 4.39Å; L216-P229 HydrophobicContact CD1-CG 4.06Å |
| 217 | M | 97.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 109.6 | 165.9 | -175.7 | 71.4 | 142.6 | 0 | 0 | 107.1 | P54 L56 V227 S228 V370 F371 Y374 | P54-M217 HydrophobicContact CB-CE 3.97Å; P54-M217 HydrophobicContact CB-SD 3.88Å; P54-M217 HydrophobicContact CG-CE 4.08Å; L56-M217 HydrophobicContact CD1-CB 3.98Å; L56-M217 HydrophobicContact CD1-SD 4.24Å; M217-V227 CarbonylContact O-C 3.23Å; M217-V227 VanDerWaalsContact O-CA 3.29Å; M217-V227 WeakPolarHBondContact O-CA 3.22Å; M217-S228 WeakPolarHBondContact CB-O 3.35Å; M217-S228 PolarHBondContact N-O 3.19Å; M217-S228 PolarHBondContact O-N 3.13Å; M217-V370 HydrophobicContact CE-CG1 4.01Å; M217-V370 HydrophobicContact SD-CG1 3.7Å; M217-F371 HydrophobicContact CE-CD1 3.79Å; M217-F371 HydrophobicContact CE-CE1 4.01Å; M217-Y374 HydrophobicContact CB-CD2 3.82Å; M217-Y374 HydrophobicContact CB-CE2 3.62Å; M217-Y374 HydrophobicContact CE-CD1 3.98Å; M217-Y374 HydrophobicContact CE-CD2 4.48Å; M217-Y374 HydrophobicContact CE-CG 3.89Å; M217-Y374 HydrophobicContact CG-CD2 4.17Å; M217-Y374 HydrophobicContact CG-CE2 4.18Å; M217-Y374 HydrophobicContact CG-CG 4.45Å; M217-Y374 HydrophobicContact SD-CD2 4.18Å; M217-Y374 HydrophobicContact SD-CG 4.14Å |
| 218 | I | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.4 | -178.2 | -53.2 | 178.4 | 0 | 0 | 0 | 108 | P54 V55 P57 A205 A206 L216 F220 V225 V227 | P54-I218 CarbonylContact C-O 3.48Å; P54-I218 WeakPolarHBondContact CA-O 3.41Å; P54-I218 WeakPolarHBondContact CB-O 3.37Å; V55-I218 HydrophobicContact CG2-CB 3.83Å; V55-I218 HydrophobicContact CG2-CD1 4.37Å; V55-I218 HydrophobicContact CG2-CG1 4.43Å; V55-I218 PolarHBondContact N-O 2.97Å; V55-I218 PolarHBondContact O-N 2.98Å; P57-I218 HydrophobicContact CG-CD1 3.44Å; P57-I218 VanDerWaalsContact CG-CD1 3.44Å; P57-I218 HydrophobicContact CG-CG1 4.19Å; A205-I218 HydrophobicContact CB-CD1 3.88Å; A205-I218 HydrophobicContact CB-CG2 3.81Å; A206-I218 HydrophobicContact CB-CD1 4.03Å; L216-I218 HydrophobicContact CB-CG1 4.1Å; L216-I218 HydrophobicContact CD2-CD1 4Å; L216-I218 HydrophobicContact CD2-CG1 3.81Å; L216-I218 HydrophobicContact CG-CD1 4.48Å; L216-I218 HydrophobicContact CG-CG1 3.85Å; L216-I218 PolarHBondContact O-N 3.43Å; I218-F220 HydrophobicContact CB-CZ 4.31Å; I218-F220 HydrophobicContact CG2-CE1 3.78Å; I218-F220 HydrophobicContact CG2-CE2 4.26Å; I218-F220 HydrophobicContact CG2-CZ 3.62Å; I218-V225 HydrophobicContact CG2-CG1 3.48Å; I218-V225 VanDerWaalsContact CG2-CG1 3.48Å; I218-V227 HydrophobicContact CG1-CG1 4.24Å; I218-V227 HydrophobicContact CG2-CG1 4.4Å |
| 219 | E | 95.6 | Very high | 90.1 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.5 | -179.5 | -73.8 | 172.3 | 100.5 | 0 | 0 | 110.3 | P54 T221 V225 T226 | P54-E219 HydrophobicContact CB-CG 3.92Å; E219-T221 VanDerWaalsContact C-N 3.31Å; E219-T221 PolarHBondContact O-N 3.42Å; E219-V225 WeakPolarHBondContact O-CA 3.11Å; E219-T226 WeakPolarHBondContact CB-OG1 3.46Å; E219-T226 PolarHBondContact N-O 3.29Å; E219-T226 PolarHBondContact O-N 2.96Å |
| 220 | F | 91.1 | Very high | 90 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | trans | -94.7 | 57.1 | -177.9 | -54.4 | -78.6 | 0 | 0 | 0 | 111.3 | D49 Y53 V55 M202 I218 K222 V225 | D49-F220 HydrophobicContact CB-CD2 4.06Å; D49-F220 HydrophobicContact CB-CE1 4.36Å; D49-F220 HydrophobicContact CB-CE2 3.32Å; D49-F220 HydrophobicContact CB-CZ 3.5Å; Y53-F220 WeakPolarHBondContact O-CD2 3.42Å; Y53-F220 WeakPolarHBondContact O-CE2 3.26Å; V55-F220 HydrophobicContact CG1-CE2 4.26Å; V55-F220 HydrophobicContact CG2-CE2 3.77Å; V55-F220 HydrophobicContact CG2-CZ 3.86Å; M202-F220 HydrophobicContact CB-CZ 4.1Å; I218-F220 HydrophobicContact CB-CZ 4.31Å; I218-F220 HydrophobicContact CG2-CE1 3.78Å; I218-F220 HydrophobicContact CG2-CE2 4.26Å; I218-F220 HydrophobicContact CG2-CZ 3.62Å; F220-K222 PolarHBondContact O-N 3.27Å; F220-V225 HydrophobicContact CD1-CG2 4.11Å; F220-V225 HydrophobicContact CE1-CG2 4.49Å | ||
| 221 | T | 73.9 | Confident | 89.7 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | trans | -82.2 | 95.8 | -177.2 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | E219 F224 | E219-T221 VanDerWaalsContact C-N 3.31Å; E219-T221 PolarHBondContact O-N 3.42Å; T221-F224 CarbonylContact C-O 3.53Å; T221-F224 VanDerWaalsContact C-O 3.23Å; T221-F224 PolarHBondContact N-O 3.2Å; T221-F224 CarbonylContact O-C 3.52Å; T221-F224 PolarHBondContact O-N 3.01Å | ||
| 222 | K | 72.4 | Confident | 89.4 | Confident | 154 Ų | 154 | 54.4 Ų | 54.4 | 67% | 0.67 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 130.3 | 178.9 | -66.1 | 175.6 | -176.2 | 164.8 | 0 | 111.5 | F220 D292 | F220-K222 PolarHBondContact O-N 3.27Å; K222-D292 IonicContact NZ-OD2 3.98Å; K222-D292 PolarHBondContact NZ-OD2 3Å |
| 223 | P | 68.8 | Low | 88.9 | Confident | 109 Ų | 109 | 50 Ų | 50 | 71% | 0.708 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92 | -2.7 | 9.7 | 35.4 | -34.4 | 0 | 0 | 0 | 116 | ||
| 224 | F | 72 | Confident | 88.5 | Confident | 126 Ų | 126 | 50.7 Ų | 50.7 | 55% | 0.553 | 28% | 0.279 | S | S | * | . | trans | -113.9 | 154.5 | -171.2 | -57.8 | -66.7 | 0 | 0 | 0 | 113.1 | T221 | T221-F224 CarbonylContact C-O 3.53Å; T221-F224 VanDerWaalsContact C-O 3.23Å; T221-F224 PolarHBondContact N-O 3.2Å; T221-F224 CarbonylContact O-C 3.52Å; T221-F224 PolarHBondContact O-N 3.01Å | ||
| 225 | V | 86.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 7% | 0.073 | 28% | 0.28 | C | S | . | . | trans | -85 | 129 | 162.7 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | H182 A205 L209 I218 E219 F220 V227 | H182-V225 PolarHBondContact CD2-O 3.42Å; H182-V225 VanDerWaalsContact CD2-O 3.31Å; A205-V225 HydrophobicContact CB-CG1 3.88Å; L209-V225 HydrophobicContact CD1-CG1 4.19Å; I218-V225 HydrophobicContact CG2-CG1 3.48Å; I218-V225 VanDerWaalsContact CG2-CG1 3.48Å; E219-V225 WeakPolarHBondContact O-CA 3.11Å; F220-V225 HydrophobicContact CD1-CG2 4.11Å; F220-V225 HydrophobicContact CE1-CG2 4.49Å; V225-V227 HydrophobicContact CG1-CG1 4.45Å | ||
| 226 | T | 90.4 | Very high | 87.9 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.8 | 173.3 | 52.9 | 0 | 0 | 0 | 0 | 109.9 | E219 | E219-T226 WeakPolarHBondContact CB-OG1 3.46Å; E219-T226 PolarHBondContact N-O 3.29Å; E219-T226 PolarHBondContact O-N 2.96Å |
| 227 | V | 94.1 | Very high | 87.8 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.2 | -177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | L209 L216 M217 I218 V225 | L209-V227 HydrophobicContact CB-CG1 3.9Å; L209-V227 HydrophobicContact CB-CG2 4.17Å; L209-V227 HydrophobicContact CD1-CG1 3.71Å; L209-V227 HydrophobicContact CG-CG1 4.45Å; L216-V227 HydrophobicContact CD1-CB 3.69Å; L216-V227 HydrophobicContact CD1-CG1 4.37Å; L216-V227 HydrophobicContact CD1-CG2 4.1Å; L216-V227 HydrophobicContact CD2-CB 4Å; L216-V227 HydrophobicContact CD2-CG1 3.73Å; L216-V227 HydrophobicContact CG-CB 3.8Å; L216-V227 HydrophobicContact CG-CG1 3.98Å; M217-V227 CarbonylContact O-C 3.23Å; M217-V227 VanDerWaalsContact O-CA 3.29Å; M217-V227 WeakPolarHBondContact O-CA 3.22Å; I218-V227 HydrophobicContact CG1-CG1 4.24Å; I218-V227 HydrophobicContact CG2-CG1 4.4Å; V225-V227 HydrophobicContact CG1-CG1 4.45Å |
| 228 | S | 95.3 | Very high | 87.8 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.4 | 171 | -62.1 | 0 | 0 | 0 | 0 | 109 | M217 Y374 | M217-S228 WeakPolarHBondContact CB-O 3.35Å; M217-S228 PolarHBondContact N-O 3.19Å; M217-S228 PolarHBondContact O-N 3.13Å; S228-Y374 WeakPolarHBondContact CB-OH 3.26Å |
| 229 | P | 95.7 | Very high | 87.8 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 139.8 | 174.5 | -21.3 | 33.1 | 0 | 0 | 0 | 110.8 | V211 N214 L216 | V211-P229 HydrophobicContact CB-CB 4.13Å; V211-P229 HydrophobicContact CB-CG 4.08Å; V211-P229 HydrophobicContact CG1-CB 4.48Å; V211-P229 HydrophobicContact CG2-CB 4.18Å; V211-P229 HydrophobicContact CG2-CG 3.56Å; N214-P229 HydrophobicContact CB-CB 3.92Å; L216-P229 HydrophobicContact CD1-CB 4.39Å; L216-P229 HydrophobicContact CD1-CG 4.06Å |
| 230 | I | 94.4 | Very high | 87.8 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.2 | 171.6 | -172.9 | 57.2 | 0 | 0 | 0 | 108.8 | L56 N214 A215 Y374 C377 K378 F381 | L56-I230 HydrophobicContact CD1-CG2 3.95Å; N214-I230 CarbonylContact C-O 3.6Å; N214-I230 WeakPolarHBondContact CA-O 2.82Å; N214-I230 VanDerWaalsContact OD1-C 3.27Å; A215-I230 HydrophobicContact CB-CG2 3.99Å; A215-I230 PolarHBondContact N-O 2.83Å; A215-I230 PolarHBondContact O-N 3.49Å; I230-Y374 HydrophobicContact CB-CD2 4.18Å; I230-Y374 HydrophobicContact CB-CE2 3.74Å; I230-Y374 HydrophobicContact CG1-CD2 4.38Å; I230-Y374 HydrophobicContact CG1-CE2 4.18Å; I230-Y374 HydrophobicContact CG2-CD2 3.97Å; I230-Y374 HydrophobicContact CG2-CE2 3.94Å; I230-C377 HydrophobicContact CD1-CB 4.32Å; I230-C377 HydrophobicContact CG1-CB 3.65Å; I230-K378 HydrophobicContact CD1-CG 3.77Å; I230-F381 HydrophobicContact CD1-CD2 4.25Å |
| 231 | Q | 89.8 | Confident | 87.9 | Confident | 103 Ų | 103 | 46.7 Ų | 46.7 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 155.3 | 173.3 | -167.7 | 175.6 | -3.8 | 0 | 0 | 108.2 | N214 F381 | N214-Q231 WeakPolarHBondContact OD1-CA 3.46Å; N214-Q231 PolarHBondContact OD1-N 3.38Å; Q231-F381 HydrophobicContact CB-CD1 4.28Å; Q231-F381 HydrophobicContact CB-CE1 3.54Å; Q231-F381 HydrophobicContact CB-CE2 3.94Å; Q231-F381 HydrophobicContact CB-CZ 3.36Å; Q231-F381 VanDerWaalsContact CD-CE1 3.48Å; Q231-F381 HydrophobicContact CG-CE1 3.55Å; Q231-F381 HydrophobicContact CG-CE2 4.47Å; Q231-F381 HydrophobicContact CG-CZ 3.47Å; Q231-F381 VanDerWaalsContact CG-CZ 3.47Å; Q231-F381 WeakPolarHBondContact O-CE2 3.21Å; Q231-F381 WeakPolarHBondContact O-CZ 3.37Å |
| 232 | L | 87.8 | Confident | 88.9 | Confident | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | trans | -113.8 | 147.9 | 176.1 | -64.5 | 166.3 | 0 | 0 | 0 | 109.3 | L43 A215 S234 M236 F238 P483 | L43-L232 HydrophobicContact CD1-CD1 4.2Å; A215-L232 HydrophobicContact CB-CD1 3.79Å; A215-L232 HydrophobicContact CB-CD2 4.14Å; A215-L232 HydrophobicContact CB-CG 4.05Å; L232-S234 PolarHBondContact O-N 3.13Å; L232-M236 HydrophobicContact CD2-CE 4.1Å; L232-F238 HydrophobicContact CD1-CE2 3.62Å; L232-F238 HydrophobicContact CD1-CZ 4.4Å; L232-P483 HydrophobicContact CD1-CG 3.87Å | ||
| 233 | P | 83.3 | Confident | 89.9 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | trans | -53.2 | 137.1 | -179.9 | -25.2 | 34.6 | 0 | 0 | 0 | 111.6 | D235 M236 I380 | P233-D235 WeakPolarHBondContact CB-OD1 3.46Å; P233-D235 PolarHBondContact O-N 3.27Å; P233-M236 HydrophobicContact CB-CB 4.29Å; P233-M236 WeakPolarHBondContact O-CB 3.27Å; P233-M236 PolarHBondContact O-N 3.13Å; P233-M236 VanDerWaalsContact O-N 3.08Å; P233-I380 HydrophobicContact CB-CG2 4.45Å; P233-I380 HydrophobicContact CG-CB 4.44Å; P233-I380 HydrophobicContact CG-CD1 3.7Å; P233-I380 HydrophobicContact CG-CG2 3.86Å | ||
| 234 | S | 84.3 | Confident | 90.8 | Very high | 102 Ų | 102 | 32.2 Ų | 32.2 | 71% | 0.713 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.9 | -171.8 | 62.4 | 0 | 0 | 0 | 0 | 114 | L232 M236 | L232-S234 PolarHBondContact O-N 3.13Å; S234-M236 VanDerWaalsContact C-N 3.3Å |
| 235 | D | 88.7 | Confident | 91.6 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 20% | 0.198 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1.5 | 175.5 | 71.9 | -27.8 | 0 | 0 | 0 | 113.3 | P233 S390 M394 K450 K451 | P233-D235 WeakPolarHBondContact CB-OD1 3.46Å; P233-D235 PolarHBondContact O-N 3.27Å; D235-S390 WeakPolarHBondContact OD2-CB 3.47Å; D235-S390 PolarHBondContact OD2-OG 3.36Å; D235-M394 WeakPolarHBondContact OD2-CE 3.42Å; D235-K450 CarbonylContact O-C 3.49Å; D235-K451 WeakPolarHBondContact O-CB 3.49Å; D235-K451 PolarHBondContact O-N 3.37Å |
| 236 | M | 90.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.5 | 179.6 | 150.5 | 170.1 | 172.9 | 0 | 0 | 110.6 | L232 P233 S234 F238 M394 L397 L448 | L232-M236 HydrophobicContact CD2-CE 4.1Å; P233-M236 HydrophobicContact CB-CB 4.29Å; P233-M236 WeakPolarHBondContact O-CB 3.27Å; P233-M236 PolarHBondContact O-N 3.13Å; P233-M236 VanDerWaalsContact O-N 3.08Å; S234-M236 VanDerWaalsContact C-N 3.3Å; M236-F238 HydrophobicContact CE-CD2 4.42Å; M236-F238 HydrophobicContact CE-CE1 3.63Å; M236-F238 HydrophobicContact CE-CE2 3.4Å; M236-F238 HydrophobicContact CE-CZ 2.93Å; M236-M394 HydrophobicContact CB-SD 4.31Å; M236-L397 HydrophobicContact CE-CD1 4.48Å; M236-L397 HydrophobicContact SD-CD1 4.04Å; M236-L448 HydrophobicContact CB-CD1 4.08Å; M236-L448 HydrophobicContact CE-CD1 3.72Å; M236-L448 HydrophobicContact CE-CD2 4.5Å; M236-L448 HydrophobicContact CG-CD1 3.32Å; M236-L448 HydrophobicContact SD-CD1 3.45Å; M236-L448 WeakPolarHBondContact SD-CD1 3.26Å; M236-L448 HydrophobicContact SD-CD2 4.33Å |
| 237 | V | 94.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156.6 | 171.7 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | V449 K451 A454 V480 | V237-V449 HydrophobicContact CG2-CB 4.38Å; V237-V449 WeakPolarHBondContact CG2-O 3.18Å; V237-V449 PolarHBondContact N-O 2.91Å; V237-V449 PolarHBondContact O-N 2.95Å; V237-V449 VanDerWaalsContact O-O 3.13Å; V237-K451 HydrophobicContact CG1-CB 3.95Å; V237-K451 HydrophobicContact CG1-CD 4.37Å; V237-K451 HydrophobicContact CG1-CG 3.9Å; V237-A454 HydrophobicContact CG2-CB 3.94Å; V237-V480 HydrophobicContact CB-CG1 3.81Å; V237-V480 HydrophobicContact CG1-CG1 4.16Å; V237-V480 HydrophobicContact CG2-CG1 4.1Å |
| 238 | F | 96.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.9 | 171.1 | -66 | -76.3 | 0 | 0 | 0 | 110 | L43 M58 L232 M236 I240 M401 V446 S447 L448 S481 | L43-F238 HydrophobicContact CB-CZ 4.38Å; L43-F238 HydrophobicContact CD1-CE1 4.44Å; L43-F238 HydrophobicContact CD1-CE2 3.72Å; L43-F238 HydrophobicContact CD1-CZ 3.51Å; L43-F238 HydrophobicContact CD2-CD1 3.91Å; L43-F238 HydrophobicContact CD2-CD2 3.97Å; L43-F238 HydrophobicContact CD2-CE1 3.6Å; L43-F238 HydrophobicContact CD2-CE2 3.62Å; L43-F238 HydrophobicContact CD2-CG 4.05Å; L43-F238 HydrophobicContact CD2-CZ 3.39Å; L43-F238 HydrophobicContact CG-CE1 4.42Å; L43-F238 HydrophobicContact CG-CE2 4.28Å; L43-F238 HydrophobicContact CG-CZ 3.92Å; M58-F238 HydrophobicContact CE-CB 3.69Å; M58-F238 HydrophobicContact CE-CD2 3.47Å; M58-F238 VanDerWaalsContact CE-CD2 3.47Å; M58-F238 HydrophobicContact CE-CE2 4.31Å; M58-F238 HydrophobicContact CE-CG 3.84Å; M58-F238 HydrophobicContact SD-CD2 3.66Å; M58-F238 HydrophobicContact SD-CE2 3.98Å; L232-F238 HydrophobicContact CD1-CE2 3.62Å; L232-F238 HydrophobicContact CD1-CZ 4.4Å; M236-F238 HydrophobicContact CE-CD2 4.42Å; M236-F238 HydrophobicContact CE-CE1 3.63Å; M236-F238 HydrophobicContact CE-CE2 3.4Å; M236-F238 HydrophobicContact CE-CZ 2.93Å; F238-I240 HydrophobicContact CB-CD1 4.08Å; F238-M401 HydrophobicContact CE1-CE 4.49Å; F238-M401 HydrophobicContact CE1-SD 4.46Å; F238-V446 HydrophobicContact CB-CG2 4.06Å; F238-V446 HydrophobicContact CD1-CG2 3.65Å; F238-V446 HydrophobicContact CE1-CG2 4.4Å; F238-V446 HydrophobicContact CG-CG2 4.13Å; F238-S447 CarbonylContact C-O 3.55Å; F238-S447 WeakPolarHBondContact CA-O 3.28Å; F238-L448 HydrophobicContact CE1-CB 4.37Å; F238-S481 PolarHBondContact N-O 3.26Å; F238-S481 PolarHBondContact O-N 3.08Å |
| 239 | V | 97.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.1 | 170.8 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | S447 V449 F457 I458 I478 F479 V480 | V239-S447 PolarHBondContact N-O 3.32Å; V239-S447 PolarHBondContact O-N 3.13Å; V239-V449 HydrophobicContact CB-CG2 4.46Å; V239-V449 HydrophobicContact CG2-CB 4.31Å; V239-V449 HydrophobicContact CG2-CG2 3.87Å; V239-F457 HydrophobicContact CB-CD1 4.09Å; V239-F457 HydrophobicContact CB-CE1 3.67Å; V239-F457 HydrophobicContact CG1-CD1 4.03Å; V239-F457 HydrophobicContact CG1-CE1 3.65Å; V239-F457 HydrophobicContact CG2-CD1 3.87Å; V239-F457 HydrophobicContact CG2-CE1 3.96Å; V239-I458 HydrophobicContact CG1-CD1 4.21Å; V239-I458 HydrophobicContact CG1-CG1 3.88Å; V239-I478 HydrophobicContact CG1-CD1 3.85Å; V239-I478 HydrophobicContact CG1-CG1 3.61Å; V239-F479 WeakPolarHBondContact CA-O 3.46Å; V239-V480 HydrophobicContact CG2-CG2 4.38Å |
| 240 | I | 95.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.3 | 178.3 | -68.4 | 66.5 | 0 | 0 | 0 | 106.7 | V41 L157 F238 C444 T445 I478 F479 S481 | V41-I240 HydrophobicContact CB-CG1 4.47Å; V41-I240 HydrophobicContact CG2-CG1 4.22Å; L157-I240 HydrophobicContact CD1-CG2 4.29Å; L157-I240 HydrophobicContact CD2-CG2 3.87Å; F238-I240 HydrophobicContact CB-CD1 4.08Å; I240-C444 HydrophobicContact CG2-CB 3.86Å; I240-T445 WeakPolarHBondContact CA-O 3.19Å; I240-I478 VanDerWaalsContact O-CA 3.29Å; I240-I478 WeakPolarHBondContact O-CA 3.48Å; I240-F479 HydrophobicContact CB-CD1 4.41Å; I240-F479 HydrophobicContact CB-CD2 4.49Å; I240-F479 HydrophobicContact CB-CE1 3.92Å; I240-F479 HydrophobicContact CB-CE2 4.02Å; I240-F479 HydrophobicContact CB-CZ 3.71Å; I240-F479 HydrophobicContact CD1-CE2 4.39Å; I240-F479 HydrophobicContact CG1-CE2 4.27Å; I240-F479 HydrophobicContact CG1-CZ 4.2Å; I240-F479 HydrophobicContact CG2-CE1 3.73Å; I240-F479 HydrophobicContact CG2-CZ 3.71Å; I240-F479 PolarHBondContact N-O 3.34Å; I240-F479 PolarHBondContact O-N 2.84Å; I240-S481 VanDerWaalsContact CD1-CB 3.41Å |
| 241 | A | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 129.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | L422 C444 T445 L477 I478 | A241-L422 HydrophobicContact CB-CD1 4.21Å; A241-L422 HydrophobicContact CB-CD2 3.95Å; A241-L422 HydrophobicContact CB-CG 4.47Å; A241-L422 WeakPolarHBondContact O-CD2 3.25Å; A241-C444 CarbonylContact O-C 3.48Å; A241-C444 VanDerWaalsContact O-CA 3.26Å; A241-C444 WeakPolarHBondContact O-CA 3.47Å; A241-T445 PolarHBondContact N-O 3.42Å; A241-T445 PolarHBondContact O-N 3.47Å; A241-T445 PolarHBondContact O-OG1 3.23Å; A241-L477 CarbonylContact C-O 3.59Å; A241-L477 WeakPolarHBondContact CA-O 2.87Å; A241-I478 HydrophobicContact CB-CB 4.24Å; A241-I478 HydrophobicContact CB-CD1 3.93Å; A241-I478 HydrophobicContact CB-CG1 3.92Å |
| 242 | H | 93.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.5 | 180 | -167.7 | -101.1 | 0 | 0 | 0 | 112 | G244 H246 Y466 L477 | H242-G244 WeakPolarHBondContact ND1-CA 3.43Å; H242-G244 PolarHBondContact ND1-N 3.48Å; H242-G244 PolarHBondContact O-N 2.72Å; H242-H246 AromaticContact CE1-CE1 3.62Å; H242-H246 AromaticContact CE1-ND1 3.85Å; H242-H246 AromaticContact CE1-NE2 3.74Å; H242-H246 AromaticContact NE2-CE1 3.87Å; H242-H246 AromaticContact NE2-ND1 3.81Å; H242-Y466 PolarHBondContact N-OH 3.44Å; H242-Y466 VanDerWaalsContact N-OH 3.09Å; H242-Y466 WeakPolarHBondContact O-CE1 3.48Å; H242-Y466 PolarHBondContact O-OH 3.34Å; H242-L477 HydrophobicContact CB-CB 4.18Å; H242-L477 HydrophobicContact CB-CD2 4.11Å; H242-L477 PolarHBondContact N-O 2.91Å |
| 243 | S | 92.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | trans | -73.5 | -7.3 | -178.5 | 58.8 | 0 | 0 | 0 | 0 | 115.2 | V245 G443 | S243-V245 PolarHBondContact O-N 3.12Å; S243-V245 PolarHBondContact OG-N 3.36Å; S243-G443 VanDerWaalsContact CB-O 3.31Å; S243-G443 WeakPolarHBondContact CB-O 3.37Å; S243-G443 PolarHBondContact N-O 3.34Å; S243-G443 PolarHBondContact OG-N 3.3Å; S243-G443 PolarHBondContact OG-O 3.4Å | ||
| 244 | G | 88.9 | Confident | 88.6 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 81.6 | -10.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H242 | H242-G244 WeakPolarHBondContact ND1-CA 3.43Å; H242-G244 PolarHBondContact ND1-N 3.48Å; H242-G244 PolarHBondContact O-N 2.72Å |
| 245 | V | 88.4 | Confident | 89 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | trans | -102 | 114.5 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | S243 E418 G442 G443 | S243-V245 PolarHBondContact O-N 3.12Å; S243-V245 PolarHBondContact OG-N 3.36Å; V245-E418 HydrophobicContact CG2-CB 3.64Å; V245-E418 HydrophobicContact CG2-CG 3.48Å; V245-E418 VanDerWaalsContact CG2-CG 3.48Å; V245-G442 CarbonylContact O-C 3.6Å; V245-G442 WeakPolarHBondContact O-CA 3.43Å; V245-G443 PolarHBondContact O-N 3.2Å | ||
| 246 | H | 86.2 | Confident | 89.3 | Confident | 112 Ų | 112 | 34.8 Ų | 34.8 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | trans | -81.3 | 130.2 | 172.7 | -66 | -86.9 | 0 | 0 | 0 | 110.6 | P153 A154 H242 | P153-H246 PolarHBondContact O-ND1 3.11Å; A154-H246 HydrophobicContact CB-CB 4.13Å; H242-H246 AromaticContact CE1-CE1 3.62Å; H242-H246 AromaticContact CE1-ND1 3.85Å; H242-H246 AromaticContact CE1-NE2 3.74Å; H242-H246 AromaticContact NE2-CE1 3.87Å; H242-H246 AromaticContact NE2-ND1 3.81Å | ||
| 247 | A | 80.9 | Confident | 89.6 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | trans | -127 | 110.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A154 K249 | A154-A247 PolarHBondContact O-N 2.87Å; A154-A247 VanDerWaalsContact O-N 3.15Å; A247-K249 PolarHBondContact O-N 3.19Å | ||
| 248 | R | 78.8 | Confident | 89.8 | Confident | 168 Ų | 168 | 36.9 Ų | 36.9 | 63% | 0.634 | 20% | 0.198 | S | C | * | . | trans | -83.6 | 115.5 | 175.7 | -72.3 | -179.7 | -171.3 | 178.7 | 3.6 | 109.6 | A154 A250 A251 | A154-R248 HydrophobicContact CB-CG 3.65Å; R248-A250 PolarHBondContact O-N 3.18Å; R248-A250 VanDerWaalsContact O-N 3.1Å; R248-A251 HydrophobicContact CB-CB 3.56Å; R248-A251 PolarHBondContact O-N 3.03Å | ||
| 249 | K | 78.4 | Confident | 89.8 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -37.8 | -179.3 | -165.1 | -171.5 | -175.2 | 178.4 | 0 | 113.7 | M197 D203 A247 Y255 A439 | M197-K249 HydrophobicContact CE-CB 4.41Å; M197-K249 HydrophobicContact CE-CD 3.73Å; M197-K249 HydrophobicContact CE-CG 3.51Å; M197-K249 HydrophobicContact SD-CG 4.4Å; D203-K249 IonicContact OD2-NZ 3.97Å; D203-K249 PolarHBondContact OD2-NZ 3.3Å; A247-K249 PolarHBondContact O-N 3.19Å; K249-Y255 HydrophobicContact CD-CD2 4.32Å; K249-Y255 HydrophobicContact CD-CE2 4.32Å; K249-Y255 HydrophobicContact CG-CD2 3.86Å; K249-Y255 HydrophobicContact CG-CE2 4.36Å; K249-Y255 HydrophobicContact CG-CG 3.99Å; K249-A439 HydrophobicContact CB-CB 4.14Å; K249-A439 HydrophobicContact CD-CB 4.41Å; K249-A439 HydrophobicContact CG-CB 3.78Å |
| 250 | A | 78.6 | Confident | 89.7 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P110 M197 R248 T252 | P110-A250 HydrophobicContact CB-CB 4.3Å; P110-A250 HydrophobicContact CG-CB 4.17Å; M197-A250 HydrophobicContact CG-CB 4.14Å; M197-A250 WeakPolarHBondContact SD-CA 3.42Å; M197-A250 HydrophobicContact SD-CB 3.43Å; M197-A250 WeakPolarHBondContact SD-CB 3.23Å; R248-A250 PolarHBondContact O-N 3.18Å; R248-A250 VanDerWaalsContact O-N 3.1Å; A250-T252 VanDerWaalsContact C-N 3.35Å |
| 251 | A | 79.6 | Confident | 89.9 | Confident | 69 Ų | 69 | 37 Ų | 37 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -15.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R248 | R248-A251 HydrophobicContact CB-CB 3.56Å; R248-A251 PolarHBondContact O-N 3.03Å |
| 252 | T | 86.2 | Confident | 90 | Very high | 59 Ų | 59 | 37 Ų | 37 | 36% | 0.362 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -132 | 164.1 | 177.4 | 70 | 0 | 0 | 0 | 0 | 110.5 | A250 Y254 | A250-T252 VanDerWaalsContact C-N 3.35Å; T252-Y254 VanDerWaalsContact C-N 3.29Å; T252-Y254 HydrophobicContact CG2-CE2 4.42Å; T252-Y254 WeakPolarHBondContact OG1-CD2 3.2Å |
| 253 | S | 90.9 | Very high | 90.2 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -74.3 | -18.1 | 175.7 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | Y255 N256 E257 N347 | S253-Y255 VanDerWaalsContact C-N 3.3Å; S253-Y255 PolarHBondContact O-N 3.26Å; S253-Y255 VanDerWaalsContact O-N 3.1Å; S253-N256 CarbonylContact O-C 3.55Å; S253-N256 WeakPolarHBondContact O-CA 3.2Å; S253-N256 PolarHBondContact O-N 3.41Å; S253-E257 VanDerWaalsContact CB-OE1 3.32Å; S253-E257 WeakPolarHBondContact CB-OE1 3.29Å; S253-E257 WeakPolarHBondContact O-CG 3.45Å; S253-E257 PolarHBondContact O-N 3.13Å; S253-E257 PolarHBondContact OG-OE1 2.97Å; S253-N347 WeakPolarHBondContact CB-O 3.44Å |
| 254 | Y | 93.8 | Very high | 90.4 | Very high | 108 Ų | 108 | 38.7 Ų | 38.7 | 42% | 0.424 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -51.9 | -43.6 | -165.9 | -58.6 | -20.4 | 0 | 0 | 0 | 113.9 | T252 E257 R258 W441 | T252-Y254 VanDerWaalsContact C-N 3.29Å; T252-Y254 HydrophobicContact CG2-CE2 4.42Å; T252-Y254 WeakPolarHBondContact OG1-CD2 3.2Å; Y254-E257 PolarHBondContact O-N 3.28Å; Y254-R258 WeakPolarHBondContact O-CG 3.37Å; Y254-R258 PolarHBondContact O-N 3.1Å; Y254-W441 HydrophobicContact CD2-CD2 4.09Å; Y254-W441 HydrophobicContact CD2-CG 4.1Å |
| 255 | Y | 94.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -50.4 | 177.2 | -174.3 | -83.4 | 0 | 0 | 0 | 111.5 | H47 Y50 M197 G199 K249 S253 E257 R258 V259 A439 | H47-Y255 AromaticContact CE1-CD2 3.71Å; H47-Y255 AromaticContact CE1-CE2 3.67Å; H47-Y255 AromaticContact ND1-CE2 3.76Å; Y50-Y255 HydrophobicContact CD1-CE1 4.5Å; Y50-Y255 VanDerWaalsContact CD1-OH 3.3Å; Y50-Y255 WeakPolarHBondContact CD1-OH 3.16Å; Y50-Y255 HydrophobicContact CE1-CE1 4.17Å; Y50-Y255 HydrophobicContact CE1-CE2 4.29Å; Y50-Y255 AromaticContact CE1-CZ 3.63Å; Y50-Y255 WeakPolarHBondContact CE1-OH 3.41Å; M197-Y255 HydrophobicContact CE-CD1 3.55Å; M197-Y255 HydrophobicContact CE-CE1 4.12Å; M197-Y255 HydrophobicContact CE-CG 3.98Å; G199-Y255 WeakPolarHBondContact CA-OH 3.17Å; K249-Y255 HydrophobicContact CD-CD2 4.32Å; K249-Y255 HydrophobicContact CD-CE2 4.32Å; K249-Y255 HydrophobicContact CG-CD2 3.86Å; K249-Y255 HydrophobicContact CG-CE2 4.36Å; K249-Y255 HydrophobicContact CG-CG 3.99Å; S253-Y255 VanDerWaalsContact C-N 3.3Å; S253-Y255 PolarHBondContact O-N 3.26Å; S253-Y255 VanDerWaalsContact O-N 3.1Å; Y255-E257 VanDerWaalsContact C-N 3.32Å; Y255-E257 PolarHBondContact O-N 3.22Å; Y255-R258 WeakPolarHBondContact O-CB 3.44Å; Y255-R258 PolarHBondContact O-N 3Å; Y255-V259 HydrophobicContact CD1-CG2 4.11Å; Y255-V259 HydrophobicContact CE1-CG2 3.82Å; Y255-V259 WeakPolarHBondContact O-CG2 3.06Å; Y255-V259 PolarHBondContact O-N 3.46Å; Y255-A439 HydrophobicContact CD2-CB 4.05Å; Y255-A439 HydrophobicContact CE2-CB 4.49Å |
| 256 | N | 95.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69 | -30.6 | -179.2 | -73.7 | -6.9 | 0 | 0 | 0 | 112.1 | G196 Q198 S253 R258 V259 A260 N347 T348 | G196-N256 PolarHBondContact O-ND2 3.24Å; Q198-N256 WeakPolarHBondContact CB-OD1 3.05Å; Q198-N256 PolarHBondContact N-OD1 3.37Å; S253-N256 CarbonylContact O-C 3.55Å; S253-N256 WeakPolarHBondContact O-CA 3.2Å; S253-N256 PolarHBondContact O-N 3.41Å; N256-R258 VanDerWaalsContact C-N 3.3Å; N256-R258 PolarHBondContact O-N 3.39Å; N256-V259 WeakPolarHBondContact O-CB 3.29Å; N256-V259 PolarHBondContact O-N 3.07Å; N256-A260 WeakPolarHBondContact O-CB 2.95Å; N256-A260 PolarHBondContact O-N 2.9Å; N256-N347 PolarHBondContact ND2-ND2 3.02Å; N256-N347 VanDerWaalsContact ND2-ND2 3.16Å; N256-N347 PolarHBondContact ND2-OD1 3.38Å; N256-T348 HydrophobicContact CB-CG2 3.6Å |
| 257 | E | 96.7 | Very high | 91.6 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 173.1 | -69.5 | 176.9 | -154.2 | 0 | 0 | 110.9 | S253 Y254 Y255 V259 A260 E261 T348 M351 | S253-E257 VanDerWaalsContact CB-OE1 3.32Å; S253-E257 WeakPolarHBondContact CB-OE1 3.29Å; S253-E257 WeakPolarHBondContact O-CG 3.45Å; S253-E257 PolarHBondContact O-N 3.13Å; S253-E257 PolarHBondContact OG-OE1 2.97Å; Y254-E257 PolarHBondContact O-N 3.28Å; Y255-E257 VanDerWaalsContact C-N 3.32Å; Y255-E257 PolarHBondContact O-N 3.22Å; E257-V259 VanDerWaalsContact C-N 3.32Å; E257-V259 PolarHBondContact O-N 3.41Å; E257-A260 WeakPolarHBondContact O-CB 3.2Å; E257-A260 PolarHBondContact O-N 3.41Å; E257-E261 VanDerWaalsContact O-CG 3.32Å; E257-E261 WeakPolarHBondContact O-CG 3.47Å; E257-E261 PolarHBondContact O-N 3.01Å; E257-T348 HydrophobicContact CG-CG2 3.97Å; E257-M351 HydrophobicContact CB-CE 3.62Å; E257-M351 HydrophobicContact CB-SD 3.84Å; E257-M351 HydrophobicContact CG-CE 3.81Å; E257-M351 HydrophobicContact CG-CG 4.04Å; E257-M351 HydrophobicContact CG-SD 3.61Å |
| 258 | R | 97.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 28.5 Ų | 28.5 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.4 | -61.2 | -64.7 | 169.6 | -92 | -8.8 | 112.1 | Y254 Y255 N256 E261 C262 R359 Y412 Q413 W441 | Y254-R258 WeakPolarHBondContact O-CG 3.37Å; Y254-R258 PolarHBondContact O-N 3.1Å; Y255-R258 WeakPolarHBondContact O-CB 3.44Å; Y255-R258 PolarHBondContact O-N 3Å; N256-R258 VanDerWaalsContact C-N 3.3Å; N256-R258 PolarHBondContact O-N 3.39Å; R258-E261 WeakPolarHBondContact CD-OE2 3.11Å; R258-E261 IonicContact CZ-OE2 2.8Å; R258-E261 IonicContact NE-OE2 3.6Å; R258-E261 IonicContact NH1-OE1 2.67Å; R258-E261 IonicContact NH1-OE2 3.96Å; R258-E261 PolarHBondContact NH1-OE2 3.13Å; R258-C262 PolarHBondContact O-N 3.23Å; R258-C262 PolarHBondContact O-SG 2.67Å; R258-C262 VanDerWaalsContact O-SG 3.32Å; R258-R359 VanDerWaalsContact NH1-NH2 3.13Å; R258-Y412 HydrophobicContact CB-CD1 4.47Å; R258-Y412 HydrophobicContact CB-CE1 3.49Å; R258-Y412 VanDerWaalsContact CB-CE1 3.49Å; R258-Y412 WeakPolarHBondContact CB-OH 3.42Å; R258-Y412 WeakPolarHBondContact CD-O 3.29Å; R258-Y412 HydrophobicContact CG-CD1 4.14Å; R258-Y412 HydrophobicContact CG-CE1 3.6Å; R258-Y412 PolarHBondContact NE-O 2.98Å; R258-Q413 PolarHBondContact NH2-O 3.05Å; R258-W441 HydrophobicContact CG-CH2 3.88Å; R258-W441 HydrophobicContact CG-CZ2 4.12Å |
| 259 | V | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 111 | Y50 Q198 Y255 N256 E257 C262 R263 | Y50-V259 HydrophobicContact CD1-CG2 4.26Å; Y50-V259 HydrophobicContact CD2-CB 4.42Å; Y50-V259 HydrophobicContact CD2-CG1 4.19Å; Y50-V259 HydrophobicContact CD2-CG2 3.9Å; Y50-V259 HydrophobicContact CE1-CG2 4.04Å; Y50-V259 HydrophobicContact CE2-CB 4.25Å; Y50-V259 HydrophobicContact CE2-CG1 4.5Å; Y50-V259 HydrophobicContact CE2-CG2 3.67Å; Y50-V259 HydrophobicContact CG-CG2 4.16Å; Q198-V259 HydrophobicContact CB-CB 4.22Å; Q198-V259 HydrophobicContact CB-CG1 3.92Å; Q198-V259 HydrophobicContact CB-CG2 4.11Å; Q198-V259 WeakPolarHBondContact O-CG2 3.48Å; Y255-V259 HydrophobicContact CD1-CG2 4.11Å; Y255-V259 HydrophobicContact CE1-CG2 3.82Å; Y255-V259 WeakPolarHBondContact O-CG2 3.06Å; Y255-V259 PolarHBondContact O-N 3.46Å; N256-V259 WeakPolarHBondContact O-CB 3.29Å; N256-V259 PolarHBondContact O-N 3.07Å; E257-V259 VanDerWaalsContact C-N 3.32Å; E257-V259 PolarHBondContact O-N 3.41Å; V259-C262 PolarHBondContact O-N 2.83Å; V259-R263 HydrophobicContact CG1-CG 4.46Å; V259-R263 WeakPolarHBondContact O-CG 3.36Å; V259-R263 PolarHBondContact O-N 2.91Å |
| 260 | A | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N256 E257 C262 R263 L264 L344 M351 | N256-A260 WeakPolarHBondContact O-CB 2.95Å; N256-A260 PolarHBondContact O-N 2.9Å; E257-A260 WeakPolarHBondContact O-CB 3.2Å; E257-A260 PolarHBondContact O-N 3.41Å; A260-C262 VanDerWaalsContact C-N 3.32Å; A260-C262 PolarHBondContact O-N 2.56Å; A260-R263 PolarHBondContact O-N 2.98Å; A260-L264 WeakPolarHBondContact O-CB 3.37Å; A260-L264 VanDerWaalsContact O-CG 3.32Å; A260-L264 WeakPolarHBondContact O-CG 3.24Å; A260-L264 PolarHBondContact O-N 3.38Å; A260-L344 HydrophobicContact CB-CD2 3.81Å; A260-M351 HydrophobicContact CB-SD 4.16Å |
| 261 | E | 98 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.7 | -71.1 | 171.9 | 134.1 | 0 | 0 | 111.6 | E257 R258 L264 A265 M351 F354 Y355 L356 R359 | E257-E261 VanDerWaalsContact O-CG 3.32Å; E257-E261 WeakPolarHBondContact O-CG 3.47Å; E257-E261 PolarHBondContact O-N 3.01Å; R258-E261 WeakPolarHBondContact CD-OE2 3.11Å; R258-E261 IonicContact CZ-OE2 2.8Å; R258-E261 IonicContact NE-OE2 3.6Å; R258-E261 IonicContact NH1-OE1 2.67Å; R258-E261 IonicContact NH1-OE2 3.96Å; R258-E261 PolarHBondContact NH1-OE2 3.13Å; E261-L264 PolarHBondContact O-N 3.33Å; E261-A265 VanDerWaalsContact O-CB 3.28Å; E261-A265 WeakPolarHBondContact O-CB 3.41Å; E261-A265 PolarHBondContact O-N 3.1Å; E261-M351 HydrophobicContact CG-CE 4.13Å; E261-F354 HydrophobicContact CG-CB 4.27Å; E261-F354 HydrophobicContact CG-CD1 4.2Å; E261-Y355 PolarHBondContact OE1-N 3.3Å; E261-L356 HydrophobicContact CB-CD2 4.37Å; E261-L356 WeakPolarHBondContact O-CD2 3.42Å; E261-R359 HydrophobicContact CB-CB 4.4Å; E261-R359 HydrophobicContact CB-CG 3.6Å; E261-R359 HydrophobicContact CG-CG 4.41Å; E261-R359 IonicContact OE1-NE 2.71Å; E261-R359 IonicContact OE1-NH2 3.33Å; E261-R359 PolarHBondContact OE1-NH2 3.15Å; E261-R359 IonicContact OE2-CZ 2.97Å; E261-R359 IonicContact OE2-NE 2.68Å; E261-R359 PolarHBondContact OE2-NE 3.43Å; E261-R359 IonicContact OE2-NH2 3.11Å; E261-R359 PolarHBondContact OE2-NH2 3.36Å |
| 262 | C | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.4 | -74.9 | 0 | 0 | 0 | 0 | 112.9 | N51 R258 V259 A260 A265 A266 L290 Y412 | N51-C262 PolarHBondContact ND2-SG 2.88Å; N51-C262 VanDerWaalsContact ND2-SG 3.36Å; N51-C262 VanDerWaalsContact OD1-CB 3.31Å; N51-C262 WeakPolarHBondContact OD1-CB 3.38Å; R258-C262 PolarHBondContact O-N 3.23Å; R258-C262 PolarHBondContact O-SG 2.67Å; R258-C262 VanDerWaalsContact O-SG 3.32Å; V259-C262 PolarHBondContact O-N 2.83Å; A260-C262 VanDerWaalsContact C-N 3.32Å; A260-C262 PolarHBondContact O-N 2.56Å; C262-A265 PolarHBondContact O-N 3.36Å; C262-A266 WeakPolarHBondContact O-CB 3.45Å; C262-A266 PolarHBondContact O-N 2.88Å; C262-L290 HydrophobicContact CB-CD1 4.24Å; C262-Y412 PolarHBondContact SG-OH 2.96Å; C262-Y412 VanDerWaalsContact SG-OH 3.39Å |
| 263 | R | 96.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 20.2 Ų | 20.2 | 16% | 0.158 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.5 | -73 | 170.5 | 175.9 | 174.2 | 1.6 | 111.7 | Q198 V259 A260 A266 K267 P287 C343 | Q198-R263 VanDerWaalsContact OE1-NH1 3.13Å; V259-R263 HydrophobicContact CG1-CG 4.46Å; V259-R263 WeakPolarHBondContact O-CG 3.36Å; V259-R263 PolarHBondContact O-N 2.91Å; A260-R263 PolarHBondContact O-N 2.98Å; R263-A266 PolarHBondContact O-N 3.24Å; R263-K267 WeakPolarHBondContact O-CG 3.44Å; R263-K267 PolarHBondContact O-N 3.01Å; R263-P287 HydrophobicContact CG-CB 4.09Å; R263-C343 HydrophobicContact CB-CB 4Å |
| 264 | L | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 176.1 | -70.6 | 168.6 | 0 | 0 | 0 | 111.2 | A260 E261 A266 K267 I268 L330 L335 I340 C343 F354 L356 | A260-L264 WeakPolarHBondContact O-CB 3.37Å; A260-L264 VanDerWaalsContact O-CG 3.32Å; A260-L264 WeakPolarHBondContact O-CG 3.24Å; A260-L264 PolarHBondContact O-N 3.38Å; E261-L264 PolarHBondContact O-N 3.33Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 2.8Å; L264-K267 PolarHBondContact O-N 3.16Å; L264-I268 WeakPolarHBondContact O-CG1 3.43Å; L264-I268 PolarHBondContact O-N 3.38Å; L264-I268 VanDerWaalsContact O-N 3.1Å; L264-L330 HydrophobicContact CD1-CD1 3.97Å; L264-L330 HydrophobicContact CD2-CD1 4.23Å; L264-L335 HydrophobicContact CD2-CD1 3.72Å; L264-I340 HydrophobicContact CD2-CB 4.47Å; L264-I340 HydrophobicContact CD2-CG1 4.33Å; L264-I340 HydrophobicContact CD2-CG2 4.3Å; L264-C343 HydrophobicContact CD2-CB 3.9Å; L264-C343 HydrophobicContact CG-CB 4.02Å; L264-F354 HydrophobicContact CD1-CD1 3.53Å; L264-F354 HydrophobicContact CD1-CE1 3.64Å; L264-F354 HydrophobicContact CD1-CG 4.12Å; L264-F354 HydrophobicContact CD1-CZ 4.32Å; L264-L356 HydrophobicContact CB-CD2 3.69Å; L264-L356 HydrophobicContact CD1-CD2 4.32Å |
| 265 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E261 C262 K267 I268 L269 L290 L320 L356 A360 | E261-A265 VanDerWaalsContact O-CB 3.28Å; E261-A265 WeakPolarHBondContact O-CB 3.41Å; E261-A265 PolarHBondContact O-N 3.1Å; C262-A265 PolarHBondContact O-N 3.36Å; A265-K267 PolarHBondContact O-N 3.13Å; A265-I268 PolarHBondContact O-N 3.24Å; A265-L269 WeakPolarHBondContact O-CB 3.32Å; A265-L269 VanDerWaalsContact O-CG 3.29Å; A265-L269 WeakPolarHBondContact O-CG 3.47Å; A265-L269 PolarHBondContact O-N 3.16Å; A265-L290 HydrophobicContact CB-CD2 4.16Å; A265-L320 HydrophobicContact CB-CD1 3.79Å; A265-L320 HydrophobicContact CB-CD2 4.45Å; A265-L356 HydrophobicContact CB-CB 4.19Å; A265-A360 HydrophobicContact CB-CB 4.38Å |
| 266 | A | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C262 R263 L264 A270 L288 L290 A293 | C262-A266 WeakPolarHBondContact O-CB 3.45Å; C262-A266 PolarHBondContact O-N 2.88Å; R263-A266 PolarHBondContact O-N 3.24Å; L264-A266 VanDerWaalsContact C-N 3.32Å; L264-A266 PolarHBondContact O-N 2.8Å; A266-A270 WeakPolarHBondContact O-CB 3.34Å; A266-A270 PolarHBondContact O-N 3.27Å; A266-L288 HydrophobicContact CB-CD2 3.8Å; A266-L288 WeakPolarHBondContact CB-O 3.23Å; A266-L290 HydrophobicContact CB-CD2 3.88Å; A266-L290 HydrophobicContact CB-CG 4.14Å; A266-A293 HydrophobicContact CB-CB 4.33Å |
| 267 | K | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.8 | -70.5 | -75.8 | 179.4 | -178 | 0 | 112.4 | R263 L264 A265 R271 Y282 S284 A286 L288 L335 I339 | R263-K267 WeakPolarHBondContact O-CG 3.44Å; R263-K267 PolarHBondContact O-N 3.01Å; L264-K267 PolarHBondContact O-N 3.16Å; A265-K267 PolarHBondContact O-N 3.13Å; K267-R271 WeakPolarHBondContact O-CB 3.44Å; K267-R271 PolarHBondContact O-N 3.46Å; K267-Y282 WeakPolarHBondContact CD-O 3.44Å; K267-Y282 PolarHBondContact NZ-O 3.34Å; K267-Y282 VanDerWaalsContact NZ-O 3.13Å; K267-S284 PolarHBondContact NZ-O 3.1Å; K267-A286 PolarHBondContact NZ-O 3.19Å; K267-L288 HydrophobicContact CD-CB 4.1Å; K267-L335 HydrophobicContact CB-CD2 3.92Å; K267-I339 HydrophobicContact CD-CG2 4.14Å; K267-I339 HydrophobicContact CG-CG2 4.19Å |
| 268 | I | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 178.6 | -66.9 | 157.4 | 0 | 0 | 0 | 110.5 | L264 A265 N272 L320 L330 L333 L335 L356 | L264-I268 WeakPolarHBondContact O-CG1 3.43Å; L264-I268 PolarHBondContact O-N 3.38Å; L264-I268 VanDerWaalsContact O-N 3.1Å; A265-I268 PolarHBondContact O-N 3.24Å; I268-N272 PolarHBondContact O-N 3.05Å; I268-N272 PolarHBondContact O-ND2 2.71Å; I268-L320 HydrophobicContact CB-CD2 3.86Å; I268-L320 HydrophobicContact CD1-CD2 4.05Å; I268-L320 HydrophobicContact CG2-CD2 3.69Å; I268-L330 HydrophobicContact CD1-CD2 4.41Å; I268-L333 HydrophobicContact CD1-CB 4.06Å; I268-L333 HydrophobicContact CD1-CD1 3.76Å; I268-L333 HydrophobicContact CG1-CB 4.19Å; I268-L335 HydrophobicContact CD1-CD1 4.01Å; I268-L335 HydrophobicContact CD1-CG 4.42Å; I268-L335 HydrophobicContact CG1-CD1 3.87Å; I268-L335 HydrophobicContact CG1-CD2 3.97Å; I268-L335 HydrophobicContact CG1-CG 3.89Å; I268-L356 HydrophobicContact CD1-CD1 3.54Å |
| 269 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 177.3 | -69.2 | 173.5 | 0 | 0 | 0 | 111.4 | A265 N272 S273 L290 A293 W297 M305 I315 V316 L320 A360 Y364 | A265-L269 WeakPolarHBondContact O-CB 3.32Å; A265-L269 VanDerWaalsContact O-CG 3.29Å; A265-L269 WeakPolarHBondContact O-CG 3.47Å; A265-L269 PolarHBondContact O-N 3.16Å; L269-N272 PolarHBondContact O-N 3.43Å; L269-S273 PolarHBondContact O-N 2.92Å; L269-L290 HydrophobicContact CD1-CD2 3.84Å; L269-A293 HydrophobicContact CB-CB 4.03Å; L269-W297 PolarHBondContact O-NE1 3.46Å; L269-M305 HydrophobicContact CD1-CE 4.5Å; L269-I315 HydrophobicContact CD2-CG2 4.23Å; L269-V316 HydrophobicContact CD1-CG2 4.26Å; L269-L320 HydrophobicContact CD1-CD1 4.01Å; L269-L320 HydrophobicContact CD2-CD1 4.2Å; L269-L320 HydrophobicContact CD2-CG 4.08Å; L269-L320 HydrophobicContact CG-CD1 4.05Å; L269-L320 HydrophobicContact CG-CG 4.26Å; L269-A360 HydrophobicContact CD1-CB 4.49Å; L269-Y364 HydrophobicContact CD1-CE2 3.94Å |
| 270 | A | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.1 | -57.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A266 N272 S273 I276 L288 L296 | A266-A270 WeakPolarHBondContact O-CB 3.34Å; A266-A270 PolarHBondContact O-N 3.27Å; A270-N272 PolarHBondContact O-N 2.97Å; A270-S273 WeakPolarHBondContact O-CB 3.47Å; A270-S273 PolarHBondContact O-N 3.33Å; A270-I276 WeakPolarHBondContact O-CD1 3.29Å; A270-L288 HydrophobicContact CB-CD1 4.04Å; A270-L288 HydrophobicContact CB-CD2 4.08Å; A270-L296 HydrophobicContact CB-CD1 3.51Å |
| 271 | R | 93.1 | Very high | 91.1 | Very high | 98 Ų | 98 | 42 Ų | 42 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -50.6 | -35.6 | -178.7 | 176.8 | 177.9 | -178.7 | 117.7 | 10.8 | 113.9 | K267 Y282 G334 | K267-R271 WeakPolarHBondContact O-CB 3.44Å; K267-R271 PolarHBondContact O-N 3.46Å; R271-Y282 HydrophobicContact CB-CD1 4.24Å; R271-Y282 HydrophobicContact CB-CD2 3.76Å; R271-Y282 HydrophobicContact CB-CE2 4.12Å; R271-Y282 HydrophobicContact CB-CG 3.84Å; R271-Y282 HydrophobicContact CG-CD1 4.45Å; R271-Y282 HydrophobicContact CG-CD2 3.94Å; R271-Y282 HydrophobicContact CG-CE1 4.24Å; R271-Y282 HydrophobicContact CG-CE2 3.75Å; R271-Y282 HydrophobicContact CG-CG 4.3Å; R271-G334 PolarHBondContact NH1-O 3.4Å |
| 272 | N | 94.6 | Very high | 90 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.5 | -176.2 | -74.7 | -78.6 | 0 | 0 | 0 | 113.9 | I268 L269 A270 W297 Y319 | I268-N272 PolarHBondContact O-N 3.05Å; I268-N272 PolarHBondContact O-ND2 2.71Å; L269-N272 PolarHBondContact O-N 3.43Å; A270-N272 PolarHBondContact O-N 2.97Å; N272-W297 VanDerWaalsContact C-CZ2 3.45Å; N272-W297 HydrophobicContact CB-CZ2 4.26Å; N272-W297 VanDerWaalsContact O-CH2 3.31Å; N272-W297 WeakPolarHBondContact O-CH2 3.45Å; N272-W297 VanDerWaalsContact O-CZ2 3.23Å; N272-W297 WeakPolarHBondContact O-CZ2 3.25Å; N272-Y319 HydrophobicContact CB-CD1 3.48Å; N272-Y319 VanDerWaalsContact CB-CD1 3.48Å; N272-Y319 HydrophobicContact CB-CD2 4.09Å; N272-Y319 HydrophobicContact CB-CE1 3.52Å; N272-Y319 HydrophobicContact CB-CE2 4.16Å; N272-Y319 HydrophobicContact CB-CG 3.78Å; N272-Y319 WeakPolarHBondContact OD1-CD1 3.49Å; N272-Y319 WeakPolarHBondContact OD1-CE1 3.48Å |
| 273 | S | 94.9 | Very high | 89 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | trans | -66.1 | 131.9 | 174.8 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | L269 A270 H275 I276 L296 | L269-S273 PolarHBondContact O-N 2.92Å; A270-S273 WeakPolarHBondContact O-CB 3.47Å; A270-S273 PolarHBondContact O-N 3.33Å; S273-H275 PolarHBondContact O-N 2.68Å; S273-H275 VanDerWaalsContact O-N 3.16Å; S273-H275 PolarHBondContact OG-N 2.84Å; S273-H275 VanDerWaalsContact OG-N 3.15Å; S273-I276 PolarHBondContact O-N 3.44Å; S273-L296 PolarHBondContact OG-O 3.46Å | ||
| 274 | P | 92.9 | Very high | 88.3 | Confident | 94 Ų | 94 | 46.7 Ų | 46.7 | 61% | 0.61 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6.8 | 177.1 | 31.9 | -37.3 | 0 | 0 | 0 | 113.1 | W297 | P274-W297 HydrophobicContact CG-CE3 4.47Å; P274-W297 HydrophobicContact CG-CZ3 4.08Å |
| 275 | H | 90.8 | Very high | 87.1 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -0.7 | -178 | -57.8 | -51 | 0 | 0 | 0 | 113.7 | S273 T277 K298 | S273-H275 PolarHBondContact O-N 2.68Å; S273-H275 VanDerWaalsContact O-N 3.16Å; S273-H275 PolarHBondContact OG-N 2.84Å; S273-H275 VanDerWaalsContact OG-N 3.15Å; H275-T277 PolarHBondContact O-N 3.43Å; H275-K298 HydrophobicContact CB-CD 4.42Å; H275-K298 HydrophobicContact CB-CG 4.49Å |
| 276 | I | 85 | Confident | 86 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | trans | -74.2 | 123.3 | 176.4 | -68.7 | -167.6 | 0 | 0 | 0 | 110.2 | A270 S273 E278 N281 Y282 L296 | A270-I276 WeakPolarHBondContact O-CD1 3.29Å; S273-I276 PolarHBondContact O-N 3.44Å; I276-E278 WeakPolarHBondContact CG2-O 3.46Å; I276-N281 HydrophobicContact CD1-CB 4.38Å; I276-N281 HydrophobicContact CG2-CB 4.44Å; I276-Y282 HydrophobicContact CD1-CD1 3.85Å; I276-Y282 HydrophobicContact CG2-CD1 4.2Å; I276-Y282 HydrophobicContact CG2-CE1 4.32Å; I276-L296 HydrophobicContact CD1-CD1 4.23Å; I276-L296 HydrophobicContact CG1-CD2 4.34Å | ||
| 277 | T | 80.1 | Confident | 85 | Confident | 127 Ų | 127 | 57.9 Ų | 57.9 | 78% | 0.779 | 33% | 0.33 | S | S | * | . | trans | -97.1 | -29.6 | 174.5 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | H275 | H275-T277 PolarHBondContact O-N 3.43Š| ||
| 278 | E | 81 | Confident | 84.8 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | trans | -124.1 | 134.4 | -177.8 | -61.1 | -178.2 | -170.4 | 0 | 0 | 111.8 | I276 S280 N281 | I276-E278 WeakPolarHBondContact CG2-O 3.46Å; E278-S280 VanDerWaalsContact CB-OG 3.28Å; E278-S280 WeakPolarHBondContact CB-OG 3.41Å; E278-S280 PolarHBondContact O-N 3Å; E278-S280 VanDerWaalsContact O-N 3.16Å; E278-S280 PolarHBondContact OE2-OG 2.9Å; E278-S280 VanDerWaalsContact OE2-OG 3.06Å; E278-N281 PolarHBondContact O-N 2.8Å; E278-N281 PolarHBondContact O-OD1 2.83Å; E278-N281 VanDerWaalsContact O-OD1 3.09Å | ||
| 279 | P | 76.8 | Confident | 84.7 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -30.1 | 174.7 | -26.8 | 35.2 | 0 | 0 | 0 | 113.9 | N281 Y282 S283 | P279-N281 PolarHBondContact O-N 3.31Å; P279-N281 VanDerWaalsContact O-N 3.11Å; P279-Y282 HydrophobicContact CB-CE1 4.15Å; P279-Y282 WeakPolarHBondContact O-CD1 3.24Å; P279-Y282 PolarHBondContact O-N 3.09Å; P279-Y282 VanDerWaalsContact O-N 3.08Å; P279-S283 VanDerWaalsContact C-OG 3.31Å; P279-S283 VanDerWaalsContact O-CB 3.25Å; P279-S283 WeakPolarHBondContact O-CB 3.41Å; P279-S283 PolarHBondContact O-N 3.2Å; P279-S283 PolarHBondContact O-OG 3.17Å |
| 280 | S | 79.4 | Confident | 84.8 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.5 | -32.8 | 179.2 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | E278 Y282 S283 S284 | E278-S280 VanDerWaalsContact CB-OG 3.28Å; E278-S280 WeakPolarHBondContact CB-OG 3.41Å; E278-S280 PolarHBondContact O-N 3Å; E278-S280 VanDerWaalsContact O-N 3.16Å; E278-S280 PolarHBondContact OE2-OG 2.9Å; E278-S280 VanDerWaalsContact OE2-OG 3.06Å; S280-Y282 VanDerWaalsContact C-N 3.25Å; S280-Y282 PolarHBondContact O-N 3.42Å; S280-S283 WeakPolarHBondContact CA-OG 3.31Å; S280-S284 PolarHBondContact O-N 2.96Å |
| 281 | N | 75.7 | Confident | 84.8 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -28.7 | 179.8 | -69.7 | 90.9 | 0 | 0 | 0 | 113.7 | I276 E278 P279 L288 L296 | I276-N281 HydrophobicContact CD1-CB 4.38Å; I276-N281 HydrophobicContact CG2-CB 4.44Å; E278-N281 PolarHBondContact O-N 2.8Å; E278-N281 PolarHBondContact O-OD1 2.83Å; E278-N281 VanDerWaalsContact O-OD1 3.09Å; P279-N281 PolarHBondContact O-N 3.31Å; P279-N281 VanDerWaalsContact O-N 3.11Å; N281-L288 VanDerWaalsContact O-CD1 3.27Å; N281-L288 WeakPolarHBondContact O-CD1 3.28Å; N281-L296 HydrophobicContact CB-CD2 4.25Å |
| 282 | Y | 75.9 | Confident | 84.9 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 15% | 0.145 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -117.5 | -27.4 | 177 | 69.1 | -95.3 | 0 | 0 | 0 | 112.9 | K267 R271 I276 P279 S280 S284 | K267-Y282 WeakPolarHBondContact CD-O 3.44Å; K267-Y282 PolarHBondContact NZ-O 3.34Å; K267-Y282 VanDerWaalsContact NZ-O 3.13Å; R271-Y282 HydrophobicContact CB-CD1 4.24Å; R271-Y282 HydrophobicContact CB-CD2 3.76Å; R271-Y282 HydrophobicContact CB-CE2 4.12Å; R271-Y282 HydrophobicContact CB-CG 3.84Å; R271-Y282 HydrophobicContact CG-CD1 4.45Å; R271-Y282 HydrophobicContact CG-CD2 3.94Å; R271-Y282 HydrophobicContact CG-CE1 4.24Å; R271-Y282 HydrophobicContact CG-CE2 3.75Å; R271-Y282 HydrophobicContact CG-CG 4.3Å; I276-Y282 HydrophobicContact CD1-CD1 3.85Å; I276-Y282 HydrophobicContact CG2-CD1 4.2Å; I276-Y282 HydrophobicContact CG2-CE1 4.32Å; P279-Y282 HydrophobicContact CB-CE1 4.15Å; P279-Y282 WeakPolarHBondContact O-CD1 3.24Å; P279-Y282 PolarHBondContact O-N 3.09Å; P279-Y282 VanDerWaalsContact O-N 3.08Å; S280-Y282 VanDerWaalsContact C-N 3.25Å; S280-Y282 PolarHBondContact O-N 3.42Å; Y282-S284 VanDerWaalsContact C-N 3.33Å; Y282-S284 PolarHBondContact O-N 3.38Å |
| 283 | S | 78 | Confident | 84.9 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -80.7 | -10.7 | -175.1 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | P279 S280 I285 | P279-S283 VanDerWaalsContact C-OG 3.31Å; P279-S283 VanDerWaalsContact O-CB 3.25Å; P279-S283 WeakPolarHBondContact O-CB 3.41Å; P279-S283 PolarHBondContact O-N 3.2Å; P279-S283 PolarHBondContact O-OG 3.17Å; S280-S283 WeakPolarHBondContact CA-OG 3.31Å; S283-I285 PolarHBondContact O-N 2.67Å |
| 284 | S | 80.4 | Confident | 85 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -51 | 138.2 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | K267 S280 Y282 A286 | K267-S284 PolarHBondContact NZ-O 3.1Å; S280-S284 PolarHBondContact O-N 2.96Å; Y282-S284 VanDerWaalsContact C-N 3.33Å; Y282-S284 PolarHBondContact O-N 3.38Å; S284-A286 PolarHBondContact O-N 2.92Å; S284-A286 WeakPolarHBondContact OG-CB 3.42Å; S284-A286 PolarHBondContact OG-N 2.85Å; S284-A286 VanDerWaalsContact OG-N 3.13Å | ||
| 285 | I | 72.6 | Confident | 85.1 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 60% | 0.595 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -66.1 | -25.8 | 173.1 | -60.9 | 170.6 | 0 | 0 | 0 | 110 | S283 | S283-I285 PolarHBondContact O-N 2.67Š|
| 286 | A | 74.5 | Confident | 85.3 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -59.6 | 132.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K267 S284 L288 | K267-A286 PolarHBondContact NZ-O 3.19Å; S284-A286 PolarHBondContact O-N 2.92Å; S284-A286 WeakPolarHBondContact OG-CB 3.42Å; S284-A286 PolarHBondContact OG-N 2.85Å; S284-A286 VanDerWaalsContact OG-N 3.13Å; A286-L288 PolarHBondContact O-N 3.32Å |
| 287 | P | 75.8 | Confident | 85.8 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 134 | -177.5 | 23.9 | -32.5 | 0 | 0 | 0 | 110.6 | R263 | R263-P287 HydrophobicContact CG-CB 4.09Š|
| 288 | L | 91.3 | Very high | 86.5 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 139.4 | 176.8 | -164.7 | 148.9 | 0 | 0 | 0 | 107.5 | A266 K267 A270 N281 A286 D292 A293 L296 | A266-L288 HydrophobicContact CB-CD2 3.8Å; A266-L288 WeakPolarHBondContact CB-O 3.23Å; K267-L288 HydrophobicContact CD-CB 4.1Å; A270-L288 HydrophobicContact CB-CD1 4.04Å; A270-L288 HydrophobicContact CB-CD2 4.08Å; N281-L288 VanDerWaalsContact O-CD1 3.27Å; N281-L288 WeakPolarHBondContact O-CD1 3.28Å; A286-L288 PolarHBondContact O-N 3.32Å; L288-D292 HydrophobicContact CD1-CB 4.46Å; L288-D292 HydrophobicContact CD2-CB 3.61Å; L288-D292 HydrophobicContact CG-CB 3.7Å; L288-A293 HydrophobicContact CD2-CB 4.07Å; L288-L296 HydrophobicContact CD1-CD1 4.01Å |
| 289 | C | 94.7 | Very high | 87.3 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 163 | -179.8 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | N51 S291 D292 A293 | N51-C289 PolarHBondContact O-SG 3.04Å; C289-S291 PolarHBondContact O-N 3.45Å; C289-D292 PolarHBondContact N-OD2 2.86Å; C289-D292 WeakPolarHBondContact O-CA 3.31Å; C289-D292 WeakPolarHBondContact O-CB 3.5Å; C289-D292 PolarHBondContact O-N 2.98Å; C289-D292 PolarHBondContact SG-OD2 3.35Å; C289-A293 PolarHBondContact O-N 3.03Å; C289-A293 VanDerWaalsContact O-N 3.1Å |
| 290 | L | 97.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -28.6 | -175 | -73.1 | 168.8 | 0 | 0 | 0 | 113.9 | N51 Y53 C262 A265 A266 L269 A293 Q294 A360 V363 Y364 | N51-L290 HydrophobicContact CB-CB 4.37Å; N51-L290 WeakPolarHBondContact OD1-CD1 3.17Å; Y53-L290 HydrophobicContact CE2-CB 4.26Å; C262-L290 HydrophobicContact CB-CD1 4.24Å; A265-L290 HydrophobicContact CB-CD2 4.16Å; A266-L290 HydrophobicContact CB-CD2 3.88Å; A266-L290 HydrophobicContact CB-CG 4.14Å; L269-L290 HydrophobicContact CD1-CD2 3.84Å; L290-A293 WeakPolarHBondContact O-CB 3.48Å; L290-A293 PolarHBondContact O-N 2.76Å; L290-Q294 PolarHBondContact O-N 3.12Å; L290-A360 HydrophobicContact CD1-CB 4.36Å; L290-A360 HydrophobicContact CD2-CB 4.21Å; L290-V363 HydrophobicContact CB-CG1 4.1Å; L290-V363 HydrophobicContact CD1-CB 3.64Å; L290-V363 HydrophobicContact CD1-CG1 3.71Å; L290-V363 HydrophobicContact CD1-CG2 3.8Å; L290-Y364 HydrophobicContact CB-CE1 4.15Å; L290-Y364 HydrophobicContact CD2-CE2 4.08Å; L290-Y364 WeakPolarHBondContact CD2-OH 3.49Å; L290-Y364 PolarHBondContact O-OH 3.07Å |
| 291 | S | 96.4 | Very high | 89 | Confident | 11 Ų | 11 | 50 Ų | 50 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 170.4 | 179 | 0 | 0 | 0 | 0 | 112.6 | N51 G52 Y53 C289 A293 Q294 K295 | N51-S291 WeakPolarHBondContact O-CB 3.1Å; N51-S291 PolarHBondContact O-N 2.92Å; G52-S291 WeakPolarHBondContact O-CB 3.46Å; G52-S291 PolarHBondContact O-OG 3.21Å; G52-S291 VanDerWaalsContact O-OG 3.07Å; Y53-S291 WeakPolarHBondContact OH-CA 3.45Å; C289-S291 PolarHBondContact O-N 3.45Å; S291-A293 VanDerWaalsContact C-N 3.34Å; S291-Q294 PolarHBondContact O-N 2.85Å; S291-K295 WeakPolarHBondContact O-CG 3.32Å; S291-K295 PolarHBondContact O-N 2.94Å; S291-K295 VanDerWaalsContact O-N 3.1Å |
| 292 | D | 94.6 | Very high | 90.1 | Very high | 33 Ų | 33 | 47 Ų | 47 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 174 | -62.8 | -34.8 | 0 | 0 | 0 | 110.8 | K222 L288 C289 K295 L296 | K222-D292 IonicContact NZ-OD2 3.98Å; K222-D292 PolarHBondContact NZ-OD2 3Å; L288-D292 HydrophobicContact CD1-CB 4.46Å; L288-D292 HydrophobicContact CD2-CB 3.61Å; L288-D292 HydrophobicContact CG-CB 3.7Å; C289-D292 PolarHBondContact N-OD2 2.86Å; C289-D292 WeakPolarHBondContact O-CA 3.31Å; C289-D292 WeakPolarHBondContact O-CB 3.5Å; C289-D292 PolarHBondContact O-N 2.98Å; C289-D292 PolarHBondContact SG-OD2 3.35Å; D292-K295 PolarHBondContact O-N 3.43Å; D292-K295 IonicContact OD1-NZ 3.1Å; D292-L296 WeakPolarHBondContact O-CG 3.34Å; D292-L296 PolarHBondContact O-N 2.93Å |
| 293 | A | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A266 L269 L288 C289 L290 S291 K295 L296 W297 | A266-A293 HydrophobicContact CB-CB 4.33Å; L269-A293 HydrophobicContact CB-CB 4.03Å; L288-A293 HydrophobicContact CD2-CB 4.07Å; C289-A293 PolarHBondContact O-N 3.03Å; C289-A293 VanDerWaalsContact O-N 3.1Å; L290-A293 WeakPolarHBondContact O-CB 3.48Å; L290-A293 PolarHBondContact O-N 2.76Å; S291-A293 VanDerWaalsContact C-N 3.34Å; A293-K295 VanDerWaalsContact C-N 3.31Å; A293-K295 PolarHBondContact O-N 2.96Å; A293-L296 PolarHBondContact O-N 3.25Å; A293-L296 VanDerWaalsContact O-N 3.16Å; A293-W297 VanDerWaalsContact O-CD1 3.25Å; A293-W297 PolarHBondContact O-N 2.91Å; A293-W297 VanDerWaalsContact O-N 3.08Å |
| 294 | Q | 96.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.1 | -46 | 174.5 | -175 | -164.7 | -40.2 | 0 | 0 | 111.8 | Y53 L290 S291 L296 W297 K298 A299 S301 M305 Y364 | Y53-Q294 VanDerWaalsContact CE1-OE1 3.25Å; Y53-Q294 WeakPolarHBondContact OH-CB 3.5Å; Y53-Q294 PolarHBondContact OH-OE1 3.31Å; L290-Q294 PolarHBondContact O-N 3.12Å; S291-Q294 PolarHBondContact O-N 2.85Å; Q294-L296 VanDerWaalsContact C-N 3.34Å; Q294-L296 PolarHBondContact O-N 3.28Å; Q294-W297 CarbonylContact O-C 3.59Å; Q294-W297 WeakPolarHBondContact O-CB 3.1Å; Q294-W297 PolarHBondContact O-N 2.93Å; Q294-W297 VanDerWaalsContact O-N 3.11Å; Q294-K298 PolarHBondContact O-N 3.01Å; Q294-A299 HydrophobicContact CG-CB 3.79Å; Q294-A299 PolarHBondContact NE2-O 3.39Å; Q294-A299 PolarHBondContact O-N 3.17Å; Q294-S301 VanDerWaalsContact NE2-C 3.32Å; Q294-M305 HydrophobicContact CB-CG 4.17Å; Q294-M305 HydrophobicContact CB-SD 4.27Å; Q294-M305 HydrophobicContact CG-CG 3.9Å; Q294-M305 HydrophobicContact CG-SD 4.14Å; Q294-Y364 HydrophobicContact CB-CE1 4.2Å |
| 295 | K | 94.5 | Very high | 92.9 | Very high | 131 Ų | 131 | 44.9 Ų | 44.9 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.7 | -41 | 178.5 | -68.5 | 167.2 | -166.4 | 164.8 | 0 | 112 | S291 D292 A293 W297 K298 | S291-K295 WeakPolarHBondContact O-CG 3.32Å; S291-K295 PolarHBondContact O-N 2.94Å; S291-K295 VanDerWaalsContact O-N 3.1Å; D292-K295 PolarHBondContact O-N 3.43Å; D292-K295 IonicContact OD1-NZ 3.1Å; A293-K295 VanDerWaalsContact C-N 3.31Å; A293-K295 PolarHBondContact O-N 2.96Å; K295-W297 PolarHBondContact O-N 3.27Å; K295-K298 WeakPolarHBondContact O-CA 3.35Å; K295-K298 PolarHBondContact O-N 2.95Å |
| 296 | L | 94.7 | Very high | 94.2 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -29.9 | 176.1 | -70.9 | 170.2 | 0 | 0 | 0 | 112.2 | A270 S273 I276 N281 L288 D292 A293 Q294 K298 | A270-L296 HydrophobicContact CB-CD1 3.51Å; S273-L296 PolarHBondContact OG-O 3.46Å; I276-L296 HydrophobicContact CD1-CD1 4.23Å; I276-L296 HydrophobicContact CG1-CD2 4.34Å; N281-L296 HydrophobicContact CB-CD2 4.25Å; L288-L296 HydrophobicContact CD1-CD1 4.01Å; D292-L296 WeakPolarHBondContact O-CG 3.34Å; D292-L296 PolarHBondContact O-N 2.93Å; A293-L296 PolarHBondContact O-N 3.25Å; A293-L296 VanDerWaalsContact O-N 3.16Å; Q294-L296 VanDerWaalsContact C-N 3.34Å; Q294-L296 PolarHBondContact O-N 3.28Å; L296-K298 PolarHBondContact O-N 3.12Å |
| 297 | W | 95.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 11% | 0.114 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.8 | 171.3 | -81.8 | 90.6 | 0 | 0 | 0 | 113.9 | L269 N272 P274 A293 Q294 K295 A299 M305 I315 Y319 | L269-W297 PolarHBondContact O-NE1 3.46Å; N272-W297 VanDerWaalsContact C-CZ2 3.45Å; N272-W297 HydrophobicContact CB-CZ2 4.26Å; N272-W297 VanDerWaalsContact O-CH2 3.31Å; N272-W297 WeakPolarHBondContact O-CH2 3.45Å; N272-W297 VanDerWaalsContact O-CZ2 3.23Å; N272-W297 WeakPolarHBondContact O-CZ2 3.25Å; P274-W297 HydrophobicContact CG-CE3 4.47Å; P274-W297 HydrophobicContact CG-CZ3 4.08Å; A293-W297 VanDerWaalsContact O-CD1 3.25Å; A293-W297 PolarHBondContact O-N 2.91Å; A293-W297 VanDerWaalsContact O-N 3.08Å; Q294-W297 CarbonylContact O-C 3.59Å; Q294-W297 WeakPolarHBondContact O-CB 3.1Å; Q294-W297 PolarHBondContact O-N 2.93Å; Q294-W297 VanDerWaalsContact O-N 3.11Å; K295-W297 PolarHBondContact O-N 3.27Å; W297-A299 HydrophobicContact CB-CB 4.31Å; W297-A299 PolarHBondContact O-N 3.36Å; W297-A299 VanDerWaalsContact O-N 3.12Å; W297-M305 HydrophobicContact CB-CE 4.38Å; W297-M305 HydrophobicContact CB-SD 3.95Å; W297-M305 HydrophobicContact CG-CE 4.01Å; W297-M305 HydrophobicContact CG-SD 4.18Å; W297-I315 HydrophobicContact CD2-CD1 3.97Å; W297-I315 HydrophobicContact CD2-CG1 4.48Å; W297-I315 HydrophobicContact CD2-CG2 3.75Å; W297-I315 VanDerWaalsContact CE2-CG2 3.47Å; W297-I315 HydrophobicContact CE3-CD1 3.67Å; W297-I315 HydrophobicContact CE3-CG1 4.12Å; W297-I315 HydrophobicContact CE3-CG2 4.12Å; W297-I315 HydrophobicContact CG-CD1 4.34Å; W297-I315 HydrophobicContact CG-CG2 4.31Å; W297-I315 HydrophobicContact CH2-CG2 4.08Å; W297-I315 HydrophobicContact CZ2-CG2 3.66Å; W297-I315 HydrophobicContact CZ3-CD1 4.25Å; W297-I315 HydrophobicContact CZ3-CG1 4.23Å; W297-I315 HydrophobicContact CZ3-CG2 4.27Å; W297-Y319 HydrophobicContact CH2-CD2 4.22Å; W297-Y319 AromaticContact CH2-CE2 3.35Å; W297-Y319 HydrophobicContact CH2-CE2 3.35Å; W297-Y319 AromaticContact CH2-CZ 3.92Å; W297-Y319 AromaticContact CZ2-CD2 3.9Å; W297-Y319 HydrophobicContact CZ2-CD2 3.9Å; W297-Y319 AromaticContact CZ2-CE2 3.47Å; W297-Y319 HydrophobicContact CZ2-CE2 3.47Å; W297-Y319 VanDerWaalsContact CZ2-CE2 3.47Å |
| 298 | K | 95.8 | Very high | 96.2 | Very high | 147 Ų | 147 | 47.5 Ų | 47.5 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 24.7 | -170.8 | -59 | -176.4 | 178.1 | 179.8 | 0 | 113.1 | H275 Q294 K295 L296 V300 | H275-K298 HydrophobicContact CB-CD 4.42Å; H275-K298 HydrophobicContact CB-CG 4.49Å; Q294-K298 PolarHBondContact O-N 3.01Å; K295-K298 WeakPolarHBondContact O-CA 3.35Å; K295-K298 PolarHBondContact O-N 2.95Å; L296-K298 PolarHBondContact O-N 3.12Å; K298-V300 PolarHBondContact O-N 2.96Å |
| 299 | A | 96.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 8% | 0.083 | 25% | 0.25 | C | C | . | . | trans | -74.1 | 125.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q294 W297 S301 E304 M305 | Q294-A299 HydrophobicContact CG-CB 3.79Å; Q294-A299 PolarHBondContact NE2-O 3.39Å; Q294-A299 PolarHBondContact O-N 3.17Å; W297-A299 HydrophobicContact CB-CB 4.31Å; W297-A299 PolarHBondContact O-N 3.36Å; W297-A299 VanDerWaalsContact O-N 3.12Å; A299-S301 VanDerWaalsContact C-N 3.29Å; A299-S301 PolarHBondContact O-N 3.39Å; A299-E304 VanDerWaalsContact CA-OE2 3.28Å; A299-E304 WeakPolarHBondContact CA-OE2 3.33Å; A299-E304 HydrophobicContact CB-CB 3.93Å; A299-M305 HydrophobicContact CB-CG 4.33Å; A299-M305 HydrophobicContact CB-SD 3.69Å | ||
| 300 | V | 95.6 | Very high | 96.3 | Very high | 129 Ų | 129 | 60.8 Ų | 60.8 | 78% | 0.782 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.2 | -29.7 | -170.6 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | K298 E304 | K298-V300 PolarHBondContact O-N 2.96Å; V300-E304 WeakPolarHBondContact CB-OE1 3.41Å; V300-E304 PolarHBondContact N-OE2 3.34Å |
| 301 | S | 97 | Very high | 96.2 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -132.6 | 154.7 | -179.6 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | Q294 A299 D303 E304 | Q294-S301 VanDerWaalsContact NE2-C 3.32Å; A299-S301 VanDerWaalsContact C-N 3.29Å; A299-S301 PolarHBondContact O-N 3.39Å; S301-D303 PolarHBondContact O-N 3.5Å; S301-E304 PolarHBondContact O-N 3.04Å |
| 302 | P | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.032 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.2 | -34.5 | 170.5 | -19.1 | 24.1 | 0 | 0 | 0 | 113 | Y53 E304 M305 Y364 A367 E368 F371 | Y53-P302 HydrophobicContact CD1-CG 4.25Å; Y53-P302 HydrophobicContact CE1-CB 4.3Å; Y53-P302 HydrophobicContact CE1-CG 3.72Å; P302-E304 VanDerWaalsContact C-N 3.27Å; P302-E304 PolarHBondContact O-N 3.25Å; P302-M305 WeakPolarHBondContact O-CB 3.39Å; P302-M305 PolarHBondContact O-N 3.08Å; P302-M305 VanDerWaalsContact O-N 3.1Å; P302-Y364 HydrophobicContact CB-CD1 4.15Å; P302-Y364 WeakPolarHBondContact CB-O 3.26Å; P302-A367 HydrophobicContact CB-CB 3.96Å; P302-A367 HydrophobicContact CG-CB 3.74Å; P302-E368 HydrophobicContact CB-CG 4.16Å; P302-E368 VanDerWaalsContact CD-OE1 3.25Å; P302-E368 WeakPolarHBondContact CD-OE1 3.23Å; P302-F371 HydrophobicContact CG-CE2 4.11Å |
| 303 | D | 97.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.8 | -37.8 | 177.8 | -173.6 | 72.9 | 0 | 0 | 0 | 113 | S301 M305 I306 R307 E368 | S301-D303 PolarHBondContact O-N 3.5Å; D303-M305 PolarHBondContact O-N 3.02Å; D303-M305 VanDerWaalsContact O-N 3.13Å; D303-I306 CarbonylContact O-C 3.57Å; D303-I306 VanDerWaalsContact O-CG1 3.29Å; D303-I306 WeakPolarHBondContact O-CG1 3.46Å; D303-I306 PolarHBondContact O-N 2.56Å; D303-R307 VanDerWaalsContact O-CB 3.29Å; D303-R307 WeakPolarHBondContact O-CB 3.29Å; D303-R307 PolarHBondContact O-N 3.16Å; D303-R307 IonicContact OD2-CZ 2.78Å; D303-R307 IonicContact OD2-NE 3.87Å; D303-R307 PolarHBondContact OD2-NE 3.48Å; D303-R307 IonicContact OD2-NH2 3.4Å; D303-R307 PolarHBondContact OD2-NH2 2.95Å; D303-E368 HydrophobicContact CB-CG 3.73Å; D303-E368 PolarHBondContact N-OE1 2.49Å |
| 304 | E | 98.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 68.9 Ų | 68.9 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.5 | -26 | 179.5 | -78.5 | 171.5 | -144.1 | 0 | 0 | 113.2 | A299 V300 S301 P302 I306 | A299-E304 VanDerWaalsContact CA-OE2 3.28Å; A299-E304 WeakPolarHBondContact CA-OE2 3.33Å; A299-E304 HydrophobicContact CB-CB 3.93Å; V300-E304 WeakPolarHBondContact CB-OE1 3.41Å; V300-E304 PolarHBondContact N-OE2 3.34Å; S301-E304 PolarHBondContact O-N 3.04Å; P302-E304 VanDerWaalsContact C-N 3.27Å; P302-E304 PolarHBondContact O-N 3.25Å; E304-I306 VanDerWaalsContact C-N 3.32Å |
| 305 | M | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.3 | -30.2 | 176.5 | -60.7 | -59.9 | -63.9 | 0 | 0 | 112.3 | L269 Q294 W297 A299 P302 D303 S314 I315 V316 Y364 | L269-M305 HydrophobicContact CD1-CE 4.5Å; Q294-M305 HydrophobicContact CB-CG 4.17Å; Q294-M305 HydrophobicContact CB-SD 4.27Å; Q294-M305 HydrophobicContact CG-CG 3.9Å; Q294-M305 HydrophobicContact CG-SD 4.14Å; W297-M305 HydrophobicContact CB-CE 4.38Å; W297-M305 HydrophobicContact CB-SD 3.95Å; W297-M305 HydrophobicContact CG-CE 4.01Å; W297-M305 HydrophobicContact CG-SD 4.18Å; A299-M305 HydrophobicContact CB-CG 4.33Å; A299-M305 HydrophobicContact CB-SD 3.69Å; P302-M305 WeakPolarHBondContact O-CB 3.39Å; P302-M305 PolarHBondContact O-N 3.08Å; P302-M305 VanDerWaalsContact O-N 3.1Å; D303-M305 PolarHBondContact O-N 3.02Å; D303-M305 VanDerWaalsContact O-N 3.13Å; M305-S314 PolarHBondContact O-OG 3.36Å; M305-I315 HydrophobicContact CE-CB 4.27Å; M305-I315 HydrophobicContact CE-CD1 4.44Å; M305-I315 HydrophobicContact CE-CG2 3.67Å; M305-I315 PolarHBondContact O-N 3.47Å; M305-I315 HydrophobicContact SD-CD1 3.86Å; M305-I315 HydrophobicContact SD-CG2 4.47Å; M305-V316 HydrophobicContact CB-CG2 4.37Å; M305-V316 WeakPolarHBondContact O-CG2 3.47Å; M305-V316 PolarHBondContact O-N 3.26Å; M305-Y364 HydrophobicContact CB-CD1 3.91Å; M305-Y364 HydrophobicContact CB-CD2 3.77Å; M305-Y364 HydrophobicContact CB-CE1 3.99Å; M305-Y364 HydrophobicContact CB-CE2 3.86Å; M305-Y364 HydrophobicContact CB-CG 3.82Å; M305-Y364 HydrophobicContact CE-CE2 4.37Å; M305-Y364 HydrophobicContact CG-CD1 3.9Å; M305-Y364 HydrophobicContact CG-CD2 4.5Å; M305-Y364 HydrophobicContact CG-CE1 3.66Å; M305-Y364 HydrophobicContact CG-CE2 4.29Å; M305-Y364 HydrophobicContact CG-CG 4.33Å |
| 306 | I | 98.2 | Very high | 96.6 | Very high | 38 Ų | 38 | 63 Ų | 63 | 20% | 0.195 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -111.5 | -9.9 | -175.2 | 58.4 | 171.4 | 0 | 0 | 0 | 113.6 | D303 E304 I308 S314 V316 E361 Y364 | D303-I306 CarbonylContact O-C 3.57Å; D303-I306 VanDerWaalsContact O-CG1 3.29Å; D303-I306 WeakPolarHBondContact O-CG1 3.46Å; D303-I306 PolarHBondContact O-N 2.56Å; E304-I306 VanDerWaalsContact C-N 3.32Å; I306-I308 PolarHBondContact O-N 2.94Å; I306-S314 WeakPolarHBondContact O-CB 3.35Å; I306-V316 HydrophobicContact CG2-CB 4.4Å; I306-V316 HydrophobicContact CG2-CG2 4.03Å; I306-E361 HydrophobicContact CG2-CG 4.41Å; I306-Y364 HydrophobicContact CG2-CD2 4.01Å; I306-Y364 HydrophobicContact CG2-CG 4.28Å |
| 307 | R | 97.6 | Very high | 96.8 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 50% | 0.498 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -65.8 | 124.6 | 177.7 | -173.5 | 179.9 | -64 | -174.1 | 3.4 | 110.6 | D303 Q309 S314 | D303-R307 VanDerWaalsContact O-CB 3.29Å; D303-R307 WeakPolarHBondContact O-CB 3.29Å; D303-R307 PolarHBondContact O-N 3.16Å; D303-R307 IonicContact OD2-CZ 2.78Å; D303-R307 IonicContact OD2-NE 3.87Å; D303-R307 PolarHBondContact OD2-NE 3.48Å; D303-R307 IonicContact OD2-NH2 3.4Å; D303-R307 PolarHBondContact OD2-NH2 2.95Å; R307-Q309 PolarHBondContact O-N 3.27Å; R307-Q309 PolarHBondContact O-NE2 3.25Å; R307-S314 WeakPolarHBondContact O-CA 3.48Å; R307-S314 VanDerWaalsContact O-CB 3.24Å; R307-S314 WeakPolarHBondContact O-CB 3.36Å |
| 308 | I | 96.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 66.2 Ų | 66.2 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | trans | -64.7 | 126.2 | 176 | -65.5 | 174.4 | 0 | 0 | 0 | 109.5 | I306 | I306-I308 PolarHBondContact O-N 2.94Š| ||
| 309 | Q | 94.6 | Very high | 96.9 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | trans | -88.4 | 179.1 | 176.4 | -56.3 | -62.4 | -31.1 | 0 | 0 | 110.9 | R307 D311 G312 L313 | R307-Q309 PolarHBondContact O-N 3.27Å; R307-Q309 PolarHBondContact O-NE2 3.25Å; Q309-D311 PolarHBondContact O-N 3.24Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; Q309-G312 PolarHBondContact O-N 3.13Å; Q309-L313 VanDerWaalsContact CB-O 3.26Å; Q309-L313 WeakPolarHBondContact CB-O 3.39Å; Q309-L313 WeakPolarHBondContact CG-O 3.5Å; Q309-L313 PolarHBondContact N-O 2.94Å | ||
| 310 | K | 93.8 | Very high | 97 | Very high | 224 Ų | 224 | 61.8 Ų | 61.8 | 97% | 0.974 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.5 | -177.6 | -67.9 | -176.2 | 179.7 | 179.1 | 0 | 114.3 | G312 | K310-G312 VanDerWaalsContact C-N 3.29Š|
| 311 | D | 94.9 | Very high | 97 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.1 | 177.8 | 62.4 | 2.7 | 0 | 0 | 0 | 113.8 | Q309 L313 R318 | Q309-D311 PolarHBondContact O-N 3.24Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; D311-L313 VanDerWaalsContact C-N 3.31Å; D311-L313 PolarHBondContact OD1-N 3.18Å; D311-R318 VanDerWaalsContact CG-NH2 3.28Å; D311-R318 IonicContact OD1-NH2 3.2Å; D311-R318 PolarHBondContact OD1-NH2 3.37Å; D311-R318 IonicContact OD2-CZ 2.68Å; D311-R318 IonicContact OD2-NH1 2.71Å; D311-R318 IonicContact OD2-NH2 2.61Å; D311-R318 PolarHBondContact OD2-NH2 3.16Å |
| 312 | G | 95.6 | Very high | 96.9 | Very high | 47 Ų | 47 | 61.2 Ų | 61.2 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 83.3 | 3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q309 K310 | Q309-G312 PolarHBondContact O-N 3.13Å; K310-G312 VanDerWaalsContact C-N 3.29Å |
| 313 | L | 96.9 | Very high | 96.7 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | trans | -117.3 | 144.8 | 179.6 | -60 | 174.5 | 0 | 0 | 0 | 111.2 | Q309 D311 T317 R318 | Q309-L313 VanDerWaalsContact CB-O 3.26Å; Q309-L313 WeakPolarHBondContact CB-O 3.39Å; Q309-L313 WeakPolarHBondContact CG-O 3.5Å; Q309-L313 PolarHBondContact N-O 2.94Å; D311-L313 VanDerWaalsContact C-N 3.31Å; D311-L313 PolarHBondContact OD1-N 3.18Å; L313-T317 WeakPolarHBondContact CA-OG1 3.34Å; L313-R318 HydrophobicContact CB-CB 4.39Å | ||
| 314 | S | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | trans | -89.8 | 176 | 162.6 | 76.3 | 0 | 0 | 0 | 0 | 110.6 | M305 I306 R307 V316 T317 R318 | M305-S314 PolarHBondContact O-OG 3.36Å; I306-S314 WeakPolarHBondContact O-CB 3.35Å; R307-S314 WeakPolarHBondContact O-CA 3.48Å; R307-S314 VanDerWaalsContact O-CB 3.24Å; R307-S314 WeakPolarHBondContact O-CB 3.36Å; S314-V316 VanDerWaalsContact C-N 3.28Å; S314-V316 PolarHBondContact O-N 3.5Å; S314-V316 PolarHBondContact OG-N 2.94Å; S314-T317 PolarHBondContact N-OG1 3.43Å; S314-T317 PolarHBondContact O-N 2.83Å; S314-T317 PolarHBondContact O-OG1 3.49Å; S314-T317 WeakPolarHBondContact OG-CG2 3.47Å; S314-T317 PolarHBondContact OG-N 3.09Å; S314-T317 VanDerWaalsContact OG-N 3.16Å; S314-R318 WeakPolarHBondContact O-CB 3.42Å; S314-R318 PolarHBondContact O-N 2.95Å | ||
| 315 | I | 97.9 | Very high | 96.6 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 173.2 | -64.6 | 169.2 | 0 | 0 | 0 | 109.5 | L269 W297 M305 R318 Y319 | L269-I315 HydrophobicContact CD2-CG2 4.23Å; W297-I315 HydrophobicContact CD2-CD1 3.97Å; W297-I315 HydrophobicContact CD2-CG1 4.48Å; W297-I315 HydrophobicContact CD2-CG2 3.75Å; W297-I315 VanDerWaalsContact CE2-CG2 3.47Å; W297-I315 HydrophobicContact CE3-CD1 3.67Å; W297-I315 HydrophobicContact CE3-CG1 4.12Å; W297-I315 HydrophobicContact CE3-CG2 4.12Å; W297-I315 HydrophobicContact CG-CD1 4.34Å; W297-I315 HydrophobicContact CG-CG2 4.31Å; W297-I315 HydrophobicContact CH2-CG2 4.08Å; W297-I315 HydrophobicContact CZ2-CG2 3.66Å; W297-I315 HydrophobicContact CZ3-CD1 4.25Å; W297-I315 HydrophobicContact CZ3-CG1 4.23Å; W297-I315 HydrophobicContact CZ3-CG2 4.27Å; M305-I315 HydrophobicContact CE-CB 4.27Å; M305-I315 HydrophobicContact CE-CD1 4.44Å; M305-I315 HydrophobicContact CE-CG2 3.67Å; M305-I315 PolarHBondContact O-N 3.47Å; M305-I315 HydrophobicContact SD-CD1 3.86Å; M305-I315 HydrophobicContact SD-CG2 4.47Å; I315-R318 PolarHBondContact O-N 3.28Å; I315-Y319 HydrophobicContact CG2-CD2 4.32Å; I315-Y319 VanDerWaalsContact O-CD2 3.28Å; I315-Y319 WeakPolarHBondContact O-CD2 3.26Å; I315-Y319 PolarHBondContact O-N 3.37Å |
| 316 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -52 | 178.5 | 167 | 0 | 0 | 0 | 0 | 111.8 | L269 M305 I306 S314 R318 Y319 L320 R357 A360 E361 Y364 | L269-V316 HydrophobicContact CD1-CG2 4.26Å; M305-V316 HydrophobicContact CB-CG2 4.37Å; M305-V316 WeakPolarHBondContact O-CG2 3.47Å; M305-V316 PolarHBondContact O-N 3.26Å; I306-V316 HydrophobicContact CG2-CB 4.4Å; I306-V316 HydrophobicContact CG2-CG2 4.03Å; S314-V316 VanDerWaalsContact C-N 3.28Å; S314-V316 PolarHBondContact O-N 3.5Å; S314-V316 PolarHBondContact OG-N 2.94Å; V316-R318 PolarHBondContact O-N 2.96Å; V316-Y319 PolarHBondContact O-N 3.24Å; V316-L320 HydrophobicContact CG1-CD1 4.27Å; V316-L320 WeakPolarHBondContact O-CB 3.3Å; V316-L320 PolarHBondContact O-N 3.24Å; V316-R357 HydrophobicContact CG1-CG 4.01Å; V316-A360 HydrophobicContact CG1-CB 4.08Å; V316-A360 HydrophobicContact CG2-CB 4.22Å; V316-E361 HydrophobicContact CG1-CG 3.69Å; V316-Y364 HydrophobicContact CG2-CD2 3.68Å; V316-Y364 HydrophobicContact CG2-CE2 3.57Å |
| 317 | T | 98 | Very high | 96.2 | Very high | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.16 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.5 | -17.3 | -175.5 | 70.1 | 0 | 0 | 0 | 0 | 113.4 | L313 S314 E361 | L313-T317 WeakPolarHBondContact CA-OG1 3.34Å; S314-T317 PolarHBondContact N-OG1 3.43Å; S314-T317 PolarHBondContact O-N 2.83Å; S314-T317 PolarHBondContact O-OG1 3.49Å; S314-T317 WeakPolarHBondContact OG-CG2 3.47Å; S314-T317 PolarHBondContact OG-N 3.09Å; S314-T317 VanDerWaalsContact OG-N 3.16Å; T317-E361 WeakPolarHBondContact CG2-OE1 3.28Å |
| 318 | R | 97.2 | Very high | 95.9 | Very high | 107 Ų | 107 | 65.9 Ų | 65.9 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -76 | -36.6 | 177.5 | -177.1 | 176.9 | -57.3 | -152.3 | -1.5 | 112.9 | D311 L313 S314 I315 V316 | D311-R318 VanDerWaalsContact CG-NH2 3.28Å; D311-R318 IonicContact OD1-NH2 3.2Å; D311-R318 PolarHBondContact OD1-NH2 3.37Å; D311-R318 IonicContact OD2-CZ 2.68Å; D311-R318 IonicContact OD2-NH1 2.71Å; D311-R318 IonicContact OD2-NH2 2.61Å; D311-R318 PolarHBondContact OD2-NH2 3.16Å; L313-R318 HydrophobicContact CB-CB 4.39Å; S314-R318 WeakPolarHBondContact O-CB 3.42Å; S314-R318 PolarHBondContact O-N 2.95Å; I315-R318 PolarHBondContact O-N 3.28Å; V316-R318 PolarHBondContact O-N 2.96Å |
| 319 | Y | 96.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -114.4 | -17 | -171.7 | -61.6 | -70.5 | 0 | 0 | 0 | 114.2 | N272 W297 I315 V316 | N272-Y319 HydrophobicContact CB-CD1 3.48Å; N272-Y319 VanDerWaalsContact CB-CD1 3.48Å; N272-Y319 HydrophobicContact CB-CD2 4.09Å; N272-Y319 HydrophobicContact CB-CE1 3.52Å; N272-Y319 HydrophobicContact CB-CE2 4.16Å; N272-Y319 HydrophobicContact CB-CG 3.78Å; N272-Y319 WeakPolarHBondContact OD1-CD1 3.49Å; N272-Y319 WeakPolarHBondContact OD1-CE1 3.48Å; W297-Y319 HydrophobicContact CH2-CD2 4.22Å; W297-Y319 AromaticContact CH2-CE2 3.35Å; W297-Y319 HydrophobicContact CH2-CE2 3.35Å; W297-Y319 AromaticContact CH2-CZ 3.92Å; W297-Y319 AromaticContact CZ2-CD2 3.9Å; W297-Y319 HydrophobicContact CZ2-CD2 3.9Å; W297-Y319 AromaticContact CZ2-CE2 3.47Å; W297-Y319 HydrophobicContact CZ2-CE2 3.47Å; W297-Y319 VanDerWaalsContact CZ2-CE2 3.47Å; I315-Y319 HydrophobicContact CG2-CD2 4.32Å; I315-Y319 VanDerWaalsContact O-CD2 3.28Å; I315-Y319 WeakPolarHBondContact O-CD2 3.26Å; I315-Y319 PolarHBondContact O-N 3.37Å; V316-Y319 PolarHBondContact O-N 3.24Å |
| 320 | L | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -108.3 | 118.7 | 175.5 | -58.6 | -179 | 0 | 0 | 0 | 109.6 | A265 I268 L269 V316 L356 R357 A360 | A265-L320 HydrophobicContact CB-CD1 3.79Å; A265-L320 HydrophobicContact CB-CD2 4.45Å; I268-L320 HydrophobicContact CB-CD2 3.86Å; I268-L320 HydrophobicContact CD1-CD2 4.05Å; I268-L320 HydrophobicContact CG2-CD2 3.69Å; L269-L320 HydrophobicContact CD1-CD1 4.01Å; L269-L320 HydrophobicContact CD2-CD1 4.2Å; L269-L320 HydrophobicContact CD2-CG 4.08Å; L269-L320 HydrophobicContact CG-CD1 4.05Å; L269-L320 HydrophobicContact CG-CG 4.26Å; V316-L320 HydrophobicContact CG1-CD1 4.27Å; V316-L320 WeakPolarHBondContact O-CB 3.3Å; V316-L320 PolarHBondContact O-N 3.24Å; L320-L356 HydrophobicContact CD1-CB 4.5Å; L320-L356 HydrophobicContact CD2-CB 4.24Å; L320-L356 HydrophobicContact CD2-CD1 4.44Å; L320-R357 HydrophobicContact CB-CB 3.82Å; L320-R357 HydrophobicContact CB-CG 4.41Å; L320-A360 HydrophobicContact CD1-CB 3.68Å |
| 321 | P | 95.7 | Very high | 95.8 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | trans | -65.4 | 153 | 179.4 | 29.2 | -35.5 | 0 | 0 | 0 | 111 | T325 L333 R357 | P321-T325 WeakPolarHBondContact CG-OG1 3.15Å; P321-L333 HydrophobicContact CG-CD1 4.2Å; P321-R357 VanDerWaalsContact O-CB 3.26Å; P321-R357 WeakPolarHBondContact O-CB 3.13Å | ||
| 322 | S | 95.2 | Very high | 95.7 | Very high | 89 Ų | 89 | 53 Ų | 53 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -73.5 | 146.2 | 173.3 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 323 | G | 94 | Very high | 95.7 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 73.5 | -149.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 324 | I | 96.1 | Very high | 95.3 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 124.1 | -170.5 | -58.7 | 172.4 | 0 | 0 | 0 | 110.8 | H353 Y355 | I324-H353 HydrophobicContact CG2-CB 3.58Å; I324-Y355 HydrophobicContact CD1-CE1 4.31Å; I324-Y355 WeakPolarHBondContact CD1-OH 3.4Å; I324-Y355 HydrophobicContact CG1-CD1 4.26Å; I324-Y355 HydrophobicContact CG1-CE1 3.54Å; I324-Y355 HydrophobicContact CG1-CE2 4.09Å; I324-Y355 VanDerWaalsContact CG1-CZ 3.45Å |
| 325 | T | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.1 | 165.9 | -53.4 | 0 | 0 | 0 | 0 | 109 | P321 N329 L330 L333 F354 L356 | P321-T325 WeakPolarHBondContact CG-OG1 3.15Å; T325-N329 HydrophobicContact CG2-CB 3.91Å; T325-L330 HydrophobicContact CG2-CD2 3.79Å; T325-L330 HydrophobicContact CG2-CG 4.24Å; T325-L333 HydrophobicContact CG2-CD1 3.93Å; T325-F354 PolarHBondContact N-O 3.41Å; T325-F354 WeakPolarHBondContact O-CD2 3.1Å; T325-F354 PolarHBondContact O-N 2.85Å; T325-L356 HydrophobicContact CG2-CD1 4.27Å |
| 326 | S | 96 | Very high | 94.7 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 160.3 | 173.8 | 67.5 | 0 | 0 | 0 | 0 | 111.5 | Q328 N329 L330 N352 | S326-Q328 VanDerWaalsContact C-N 3.26Å; S326-Q328 PolarHBondContact O-N 2.84Å; S326-N329 PolarHBondContact O-N 2.92Å; S326-N329 WeakPolarHBondContact OG-CB 3.12Å; S326-N329 PolarHBondContact OG-N 2.92Å; S326-N329 PolarHBondContact OG-ND2 3.45Å; S326-L330 PolarHBondContact O-N 3.1Å; S326-L330 VanDerWaalsContact O-N 3.09Å; S326-N352 WeakPolarHBondContact CA-O 3.46Å |
| 327 | L | 93.5 | Very high | 94.4 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52 | -43.5 | 174 | -177.4 | 62.1 | 0 | 0 | 0 | 112.6 | N329 L330 I340 N352 F354 | L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.23Å; L327-L330 HydrophobicContact CD1-CD1 4.13Å; L327-L330 WeakPolarHBondContact O-CB 3.4Å; L327-L330 PolarHBondContact O-N 3.44Å; L327-I340 HydrophobicContact CD1-CD1 4.45Å; L327-I340 HydrophobicContact CD1-CG2 3.81Å; L327-N352 PolarHBondContact N-O 3.22Å; L327-N352 VanDerWaalsContact N-O 3.14Å; L327-F354 HydrophobicContact CB-CE2 4.31Å; L327-F354 HydrophobicContact CD1-CE2 4.38Å |
| 328 | Q | 91.2 | Very high | 94.1 | Very high | 151 Ų | 151 | 58.3 Ų | 58.3 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63 | -38 | 176.7 | -174.1 | 178.6 | 10.6 | 0 | 0 | 112.3 | S326 L330 C331 | S326-Q328 VanDerWaalsContact C-N 3.26Å; S326-Q328 PolarHBondContact O-N 2.84Å; Q328-L330 VanDerWaalsContact C-N 3.3Å; Q328-L330 PolarHBondContact O-N 2.93Å; Q328-C331 WeakPolarHBondContact O-CB 3.48Å; Q328-C331 PolarHBondContact O-N 2.9Å |
| 329 | N | 94.7 | Very high | 93.9 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.5 | -22 | 179 | -74.9 | -18.7 | 0 | 0 | 0 | 112.8 | T325 S326 L327 C331 N332 L333 | T325-N329 HydrophobicContact CG2-CB 3.91Å; S326-N329 PolarHBondContact O-N 2.92Å; S326-N329 WeakPolarHBondContact OG-CB 3.12Å; S326-N329 PolarHBondContact OG-N 2.92Å; S326-N329 PolarHBondContact OG-ND2 3.45Å; L327-N329 VanDerWaalsContact C-N 3.31Å; L327-N329 PolarHBondContact O-N 3.23Å; N329-C331 PolarHBondContact O-N 3.42Å; N329-N332 WeakPolarHBondContact O-CB 3.21Å; N329-N332 PolarHBondContact O-N 3.26Å; N329-N332 VanDerWaalsContact O-N 3.11Å; N329-N332 PolarHBondContact OD1-ND2 2.91Å; N329-N332 VanDerWaalsContact OD1-ND2 3.12Å; N329-L333 WeakPolarHBondContact O-CG 3.42Å; N329-L333 PolarHBondContact O-N 3.26Å |
| 330 | L | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 170.2 | -65.6 | 177.5 | 0 | 0 | 0 | 111.7 | L264 I268 T325 S326 L327 Q328 N332 L333 G334 L335 I340 F354 L356 | L264-L330 HydrophobicContact CD1-CD1 3.97Å; L264-L330 HydrophobicContact CD2-CD1 4.23Å; I268-L330 HydrophobicContact CD1-CD2 4.41Å; T325-L330 HydrophobicContact CG2-CD2 3.79Å; T325-L330 HydrophobicContact CG2-CG 4.24Å; S326-L330 PolarHBondContact O-N 3.1Å; S326-L330 VanDerWaalsContact O-N 3.09Å; L327-L330 HydrophobicContact CD1-CD1 4.13Å; L327-L330 WeakPolarHBondContact O-CB 3.4Å; L327-L330 PolarHBondContact O-N 3.44Å; Q328-L330 VanDerWaalsContact C-N 3.3Å; Q328-L330 PolarHBondContact O-N 2.93Å; L330-N332 VanDerWaalsContact C-N 3.33Å; L330-L333 CarbonylContact O-C 3.57Å; L330-L333 PolarHBondContact O-N 2.61Å; L330-G334 PolarHBondContact O-N 3.27Å; L330-L335 HydrophobicContact CB-CD1 4.48Å; L330-L335 HydrophobicContact CD2-CD1 4.42Å; L330-L335 PolarHBondContact O-N 3.15Å; L330-L335 VanDerWaalsContact O-N 3.14Å; L330-I340 HydrophobicContact CB-CD1 3.71Å; L330-I340 HydrophobicContact CB-CG1 4.34Å; L330-I340 HydrophobicContact CD1-CD1 4.19Å; L330-I340 HydrophobicContact CD1-CG1 4.29Å; L330-I340 HydrophobicContact CD1-CG2 4.05Å; L330-F354 HydrophobicContact CD1-CD2 3.76Å; L330-F354 HydrophobicContact CD1-CE2 3.57Å; L330-F354 HydrophobicContact CD1-CG 4.43Å; L330-F354 HydrophobicContact CD1-CZ 4.06Å; L330-F354 HydrophobicContact CG-CD2 4.25Å; L330-F354 HydrophobicContact CG-CE2 4.42Å; L330-L356 HydrophobicContact CD2-CD1 3.7Å |
| 331 | C | 92.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 174.4 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | Q328 N329 L333 G334 L335 | Q328-C331 WeakPolarHBondContact O-CB 3.48Å; Q328-C331 PolarHBondContact O-N 2.9Å; N329-C331 PolarHBondContact O-N 3.42Å; C331-L333 PolarHBondContact O-N 2.8Å; C331-G334 WeakPolarHBondContact O-CA 3.42Å; C331-G334 PolarHBondContact O-N 2.82Å; C331-L335 WeakPolarHBondContact CA-O 3.42Å |
| 332 | N | 92.7 | Very high | 93.3 | Very high | 122 Ų | 122 | 55.9 Ų | 55.9 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.2 | -26.4 | 175 | -63 | -23 | 0 | 0 | 0 | 112.3 | N329 L330 G334 | N329-N332 WeakPolarHBondContact O-CB 3.21Å; N329-N332 PolarHBondContact O-N 3.26Å; N329-N332 VanDerWaalsContact O-N 3.11Å; N329-N332 PolarHBondContact OD1-ND2 2.91Å; N329-N332 VanDerWaalsContact OD1-ND2 3.12Å; L330-N332 VanDerWaalsContact C-N 3.33Å; N332-G334 PolarHBondContact O-N 3.24Å |
| 333 | L | 94.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 23% | 0.23 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 8.3 | 171 | -61.7 | 173.9 | 0 | 0 | 0 | 112.9 | I268 P321 T325 N329 L330 C331 L356 | I268-L333 HydrophobicContact CD1-CB 4.06Å; I268-L333 HydrophobicContact CD1-CD1 3.76Å; I268-L333 HydrophobicContact CG1-CB 4.19Å; P321-L333 HydrophobicContact CG-CD1 4.2Å; T325-L333 HydrophobicContact CG2-CD1 3.93Å; N329-L333 WeakPolarHBondContact O-CG 3.42Å; N329-L333 PolarHBondContact O-N 3.26Å; L330-L333 CarbonylContact O-C 3.57Å; L330-L333 PolarHBondContact O-N 2.61Å; C331-L333 PolarHBondContact O-N 2.8Å; L333-L356 HydrophobicContact CD1-CD1 4.37Å |
| 334 | G | 89.9 | Confident | 93.2 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 15.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R271 L330 C331 N332 | R271-G334 PolarHBondContact NH1-O 3.4Å; L330-G334 PolarHBondContact O-N 3.27Å; C331-G334 WeakPolarHBondContact O-CA 3.42Å; C331-G334 PolarHBondContact O-N 2.82Å; N332-G334 PolarHBondContact O-N 3.24Å |
| 335 | L | 91.8 | Very high | 93 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | trans | -85.2 | 143.2 | 170.9 | -57.7 | -172.7 | 0 | 0 | 0 | 110.7 | L264 K267 I268 L330 C331 I339 I340 | L264-L335 HydrophobicContact CD2-CD1 3.72Å; K267-L335 HydrophobicContact CB-CD2 3.92Å; I268-L335 HydrophobicContact CD1-CD1 4.01Å; I268-L335 HydrophobicContact CD1-CG 4.42Å; I268-L335 HydrophobicContact CG1-CD1 3.87Å; I268-L335 HydrophobicContact CG1-CD2 3.97Å; I268-L335 HydrophobicContact CG1-CG 3.89Å; L330-L335 HydrophobicContact CB-CD1 4.48Å; L330-L335 HydrophobicContact CD2-CD1 4.42Å; L330-L335 PolarHBondContact O-N 3.15Å; L330-L335 VanDerWaalsContact O-N 3.14Å; C331-L335 WeakPolarHBondContact CA-O 3.42Å; L335-I339 HydrophobicContact CD2-CG2 4.17Å; L335-I340 HydrophobicContact CB-CD1 4.05Å; L335-I340 HydrophobicContact CB-CG1 3.76Å; L335-I340 HydrophobicContact CD1-CG1 4.21Å | ||
| 336 | T | 91.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | trans | -96.6 | 157.4 | 172.9 | 60.9 | 0 | 0 | 0 | 0 | 110 | I339 I340 | T336-I339 WeakPolarHBondContact O-CB 3.45Å; T336-I339 PolarHBondContact O-N 3.48Å; T336-I339 WeakPolarHBondContact OG1-CD1 3.03Å; T336-I339 WeakPolarHBondContact OG1-CG1 3.46Å; T336-I340 WeakPolarHBondContact O-CG1 3.32Å; T336-I340 PolarHBondContact O-N 3.29Å | ||
| 337 | S | 91.9 | Very high | 92.3 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.6 | -44.8 | 179.4 | -46.2 | 0 | 0 | 0 | 0 | 113.6 | I339 I340 E341 | S337-I339 VanDerWaalsContact C-N 3.27Å; S337-I339 PolarHBondContact O-N 3.42Å; S337-I340 PolarHBondContact O-N 3.17Å; S337-I340 VanDerWaalsContact O-N 3.15Å; S337-E341 WeakPolarHBondContact O-CB 3.21Å; S337-E341 WeakPolarHBondContact O-CG 3.44Å; S337-E341 PolarHBondContact O-N 3.48Å |
| 338 | P | 92.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -33.1 | 177 | -25.1 | 35.8 | 0 | 0 | 0 | 114 | G342 | P338-G342 PolarHBondContact O-N 3.41Å |
| 339 | I | 91.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.4 | -41.1 | 177.1 | -67.1 | 172.7 | 0 | 0 | 0 | 110.5 | K267 L335 T336 S337 C343 | K267-I339 HydrophobicContact CD-CG2 4.14Å; K267-I339 HydrophobicContact CG-CG2 4.19Å; L335-I339 HydrophobicContact CD2-CG2 4.17Å; T336-I339 WeakPolarHBondContact O-CB 3.45Å; T336-I339 PolarHBondContact O-N 3.48Å; T336-I339 WeakPolarHBondContact OG1-CD1 3.03Å; T336-I339 WeakPolarHBondContact OG1-CG1 3.46Å; S337-I339 VanDerWaalsContact C-N 3.27Å; S337-I339 PolarHBondContact O-N 3.42Å; I339-C343 PolarHBondContact O-N 3.29Å; I339-C343 PolarHBondContact O-SG 2.86Å |
| 340 | I | 93.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -51.6 | 177.7 | -63.1 | 167.7 | 0 | 0 | 0 | 109.4 | L264 L327 L330 L335 T336 S337 G342 C343 L344 | L264-I340 HydrophobicContact CD2-CB 4.47Å; L264-I340 HydrophobicContact CD2-CG1 4.33Å; L264-I340 HydrophobicContact CD2-CG2 4.3Å; L327-I340 HydrophobicContact CD1-CD1 4.45Å; L327-I340 HydrophobicContact CD1-CG2 3.81Å; L330-I340 HydrophobicContact CB-CD1 3.71Å; L330-I340 HydrophobicContact CB-CG1 4.34Å; L330-I340 HydrophobicContact CD1-CD1 4.19Å; L330-I340 HydrophobicContact CD1-CG1 4.29Å; L330-I340 HydrophobicContact CD1-CG2 4.05Å; L335-I340 HydrophobicContact CB-CD1 4.05Å; L335-I340 HydrophobicContact CB-CG1 3.76Å; L335-I340 HydrophobicContact CD1-CG1 4.21Å; T336-I340 WeakPolarHBondContact O-CG1 3.32Å; T336-I340 PolarHBondContact O-N 3.29Å; S337-I340 PolarHBondContact O-N 3.17Å; S337-I340 VanDerWaalsContact O-N 3.15Å; I340-G342 VanDerWaalsContact C-N 3.29Å; I340-G342 PolarHBondContact O-N 2.85Å; I340-C343 WeakPolarHBondContact O-CB 3.4Å; I340-C343 PolarHBondContact O-N 3.46Å; I340-L344 HydrophobicContact CG2-CD1 4.4Å; I340-L344 PolarHBondContact O-N 2.93Å |
| 341 | E | 92.8 | Very high | 92.2 | Very high | 133 Ų | 133 | 53.8 Ų | 53.8 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.5 | -41.1 | 178.2 | -72.2 | 168.4 | -158.7 | 0 | 0 | 111.9 | S337 C343 L344 | S337-E341 WeakPolarHBondContact O-CB 3.21Å; S337-E341 WeakPolarHBondContact O-CG 3.44Å; S337-E341 PolarHBondContact O-N 3.48Å; E341-C343 PolarHBondContact O-N 2.76Å; E341-L344 PolarHBondContact O-N 3.49Å |
| 342 | G | 92.3 | Very high | 92.3 | Very high | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -15.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P338 I340 | P338-G342 PolarHBondContact O-N 3.41Å; I340-G342 VanDerWaalsContact C-N 3.29Å; I340-G342 PolarHBondContact O-N 2.85Å |
| 343 | C | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -89.2 | -17.1 | 172.9 | -64.2 | 0 | 0 | 0 | 0 | 113 | R263 L264 I339 I340 E341 | R263-C343 HydrophobicContact CB-CB 4Å; L264-C343 HydrophobicContact CD2-CB 3.9Å; L264-C343 HydrophobicContact CG-CB 4.02Å; I339-C343 PolarHBondContact O-N 3.29Å; I339-C343 PolarHBondContact O-SG 2.86Å; I340-C343 WeakPolarHBondContact O-CB 3.4Å; I340-C343 PolarHBondContact O-N 3.46Å; E341-C343 PolarHBondContact O-N 2.76Å |
| 344 | L | 93.7 | Very high | 92.7 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | trans | -94.6 | 165 | -178.5 | -55.9 | 178.6 | 0 | 0 | 0 | 111.5 | A260 I340 E341 M351 F354 | A260-L344 HydrophobicContact CB-CD2 3.81Å; I340-L344 HydrophobicContact CG2-CD1 4.4Å; I340-L344 PolarHBondContact O-N 2.93Å; E341-L344 PolarHBondContact O-N 3.49Å; L344-M351 HydrophobicContact CD2-SD 4.27Å; L344-F354 HydrophobicContact CD2-CE1 4.26Å | ||
| 345 | T | 90.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | trans | -126 | 167.5 | 176 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | Q198 N347 T348 K349 | Q198-T345 HydrophobicContact CG-CG2 3.49Å; Q198-T345 VanDerWaalsContact CG-CG2 3.49Å; T345-N347 PolarHBondContact O-N 2.93Å; T345-N347 VanDerWaalsContact O-N 3.14Å; T345-N347 PolarHBondContact OG1-OD1 3.21Å; T345-T348 PolarHBondContact N-OG1 2.66Å; T345-T348 CarbonylContact O-C 3.53Å; T345-T348 PolarHBondContact O-N 2.94Å; T345-T348 PolarHBondContact O-OG1 3.25Å; T345-T348 PolarHBondContact OG1-OG1 3.4Å; T345-K349 WeakPolarHBondContact O-CG 3.34Å; T345-K349 PolarHBondContact O-N 3.29Å | ||
| 346 | E | 88.6 | Confident | 93.4 | Very high | 127 Ų | 127 | 54.5 Ų | 54.5 | 59% | 0.593 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -48.2 | -45.9 | 179.2 | -63.5 | -50.6 | 133.2 | 0 | 0 | 113 | T348 K349 | E346-T348 VanDerWaalsContact C-N 3.28Å; E346-T348 PolarHBondContact O-N 2.95Å; E346-K349 VanDerWaalsContact OE1-CE 3.25Å; E346-K349 WeakPolarHBondContact OE1-CE 3.18Å; E346-K349 IonicContact OE1-NZ 2.76Å; E346-K349 PolarHBondContact OE1-NZ 3.29Å; E346-K349 WeakPolarHBondContact OE2-CE 3.16Å; E346-K349 IonicContact OE2-NZ 3.35Å; E346-K349 PolarHBondContact OE2-NZ 2.9Å |
| 347 | N | 89.9 | Confident | 93.7 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -80.3 | 2.9 | 179 | 70.1 | -16.7 | 0 | 0 | 0 | 115.4 | S253 N256 T345 | S253-N347 WeakPolarHBondContact CB-O 3.44Å; N256-N347 PolarHBondContact ND2-ND2 3.02Å; N256-N347 VanDerWaalsContact ND2-ND2 3.16Å; N256-N347 PolarHBondContact ND2-OD1 3.38Å; T345-N347 PolarHBondContact O-N 2.93Å; T345-N347 VanDerWaalsContact O-N 3.14Å; T345-N347 PolarHBondContact OG1-OD1 3.21Å |
| 348 | T | 93.8 | Very high | 94 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -126 | -0.4 | 176.8 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | N256 E257 T345 E346 T350 M351 | N256-T348 HydrophobicContact CB-CG2 3.6Å; E257-T348 HydrophobicContact CG-CG2 3.97Å; T345-T348 PolarHBondContact N-OG1 2.66Å; T345-T348 CarbonylContact O-C 3.53Å; T345-T348 PolarHBondContact O-N 2.94Å; T345-T348 PolarHBondContact O-OG1 3.25Å; T345-T348 PolarHBondContact OG1-OG1 3.4Å; E346-T348 VanDerWaalsContact C-N 3.28Å; E346-T348 PolarHBondContact O-N 2.95Å; T348-T350 PolarHBondContact O-N 3.01Å; T348-T350 VanDerWaalsContact O-N 3.11Å; T348-M351 HydrophobicContact CG2-SD 4.11Å; T348-M351 VanDerWaalsContact O-CB 3.3Å; T348-M351 WeakPolarHBondContact O-CB 3.45Å; T348-M351 WeakPolarHBondContact O-CG 3.19Å; T348-M351 PolarHBondContact O-N 2.82Å |
| 349 | K | 92 | Very high | 94.3 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.1 | 176.7 | -81.4 | 176 | -175 | 177.8 | 0 | 114.1 | T345 E346 M351 | T345-K349 WeakPolarHBondContact O-CG 3.34Å; T345-K349 PolarHBondContact O-N 3.29Å; E346-K349 VanDerWaalsContact OE1-CE 3.25Å; E346-K349 WeakPolarHBondContact OE1-CE 3.18Å; E346-K349 IonicContact OE1-NZ 2.76Å; E346-K349 PolarHBondContact OE1-NZ 3.29Å; E346-K349 WeakPolarHBondContact OE2-CE 3.16Å; E346-K349 IonicContact OE2-NZ 3.35Å; E346-K349 PolarHBondContact OE2-NZ 2.9Å; K349-M351 VanDerWaalsContact C-N 3.31Å |
| 350 | T | 92.4 | Very high | 94.7 | Very high | 117 Ų | 117 | 48.2 Ų | 48.2 | 72% | 0.718 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.8 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | T348 N352 | T348-T350 PolarHBondContact O-N 3.01Å; T348-T350 VanDerWaalsContact O-N 3.11Å; T350-N352 PolarHBondContact O-N 3.29Å; T350-N352 PolarHBondContact O-ND2 3.06Å; T350-N352 VanDerWaalsContact O-ND2 3.08Å |
| 351 | M | 95 | Very high | 94.9 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | trans | -64.1 | 132.5 | 178 | -70.6 | -179.5 | 81.2 | 0 | 0 | 111.9 | E257 A260 E261 L344 T348 K349 F354 | E257-M351 HydrophobicContact CB-CE 3.62Å; E257-M351 HydrophobicContact CB-SD 3.84Å; E257-M351 HydrophobicContact CG-CE 3.81Å; E257-M351 HydrophobicContact CG-CG 4.04Å; E257-M351 HydrophobicContact CG-SD 3.61Å; A260-M351 HydrophobicContact CB-SD 4.16Å; E261-M351 HydrophobicContact CG-CE 4.13Å; L344-M351 HydrophobicContact CD2-SD 4.27Å; T348-M351 HydrophobicContact CG2-SD 4.11Å; T348-M351 VanDerWaalsContact O-CB 3.3Å; T348-M351 WeakPolarHBondContact O-CB 3.45Å; T348-M351 WeakPolarHBondContact O-CG 3.19Å; T348-M351 PolarHBondContact O-N 2.82Å; K349-M351 VanDerWaalsContact C-N 3.31Å; M351-F354 HydrophobicContact CB-CE1 3.68Å; M351-F354 HydrophobicContact CB-CZ 3.78Å; M351-F354 HydrophobicContact CE-CD1 3.72Å; M351-F354 HydrophobicContact CE-CE1 3.76Å; M351-F354 HydrophobicContact CG-CE1 4.49Å; M351-F354 HydrophobicContact SD-CE1 4.01Å | ||
| 352 | N | 94.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | trans | -124.7 | -6.1 | 176.1 | -73.2 | -68.4 | 0 | 0 | 0 | 113.8 | S326 L327 T350 | S326-N352 WeakPolarHBondContact CA-O 3.46Å; L327-N352 PolarHBondContact N-O 3.22Å; L327-N352 VanDerWaalsContact N-O 3.14Å; T350-N352 PolarHBondContact O-N 3.29Å; T350-N352 PolarHBondContact O-ND2 3.06Å; T350-N352 VanDerWaalsContact O-ND2 3.08Å | ||
| 353 | H | 96.3 | Very high | 95.5 | Very high | 119 Ų | 119 | 42.3 Ų | 42.3 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.6 | -173.2 | -60.5 | 105 | 0 | 0 | 0 | 109.1 | I324 | I324-H353 HydrophobicContact CG2-CB 3.58Å |
| 354 | F | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128 | -171.6 | -52 | -87.5 | 0 | 0 | 0 | 111.4 | E261 L264 T325 L327 L330 L344 M351 L356 | E261-F354 HydrophobicContact CG-CB 4.27Å; E261-F354 HydrophobicContact CG-CD1 4.2Å; L264-F354 HydrophobicContact CD1-CD1 3.53Å; L264-F354 HydrophobicContact CD1-CE1 3.64Å; L264-F354 HydrophobicContact CD1-CG 4.12Å; L264-F354 HydrophobicContact CD1-CZ 4.32Å; T325-F354 PolarHBondContact N-O 3.41Å; T325-F354 WeakPolarHBondContact O-CD2 3.1Å; T325-F354 PolarHBondContact O-N 2.85Å; L327-F354 HydrophobicContact CB-CE2 4.31Å; L327-F354 HydrophobicContact CD1-CE2 4.38Å; L330-F354 HydrophobicContact CD1-CD2 3.76Å; L330-F354 HydrophobicContact CD1-CE2 3.57Å; L330-F354 HydrophobicContact CD1-CG 4.43Å; L330-F354 HydrophobicContact CD1-CZ 4.06Å; L330-F354 HydrophobicContact CG-CD2 4.25Å; L330-F354 HydrophobicContact CG-CE2 4.42Å; L344-F354 HydrophobicContact CD2-CE1 4.26Å; M351-F354 HydrophobicContact CB-CE1 3.68Å; M351-F354 HydrophobicContact CB-CZ 3.78Å; M351-F354 HydrophobicContact CE-CD1 3.72Å; M351-F354 HydrophobicContact CE-CE1 3.76Å; M351-F354 HydrophobicContact CG-CE1 4.49Å; M351-F354 HydrophobicContact SD-CE1 4.01Å; F354-L356 HydrophobicContact CB-CD2 3.71Å; F354-L356 HydrophobicContact CB-CG 4.02Å; F354-L356 PolarHBondContact O-N 2.95Å |
| 355 | Y | 98 | Very high | 96 | Very high | 64 Ų | 64 | 42 Ų | 42 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | trans | -96.1 | 60 | 177.6 | -67.2 | -94.2 | 0 | 0 | 0 | 111.7 | E261 I324 R357 D358 R359 | E261-Y355 PolarHBondContact OE1-N 3.3Å; I324-Y355 HydrophobicContact CD1-CE1 4.31Å; I324-Y355 WeakPolarHBondContact CD1-OH 3.4Å; I324-Y355 HydrophobicContact CG1-CD1 4.26Å; I324-Y355 HydrophobicContact CG1-CE1 3.54Å; I324-Y355 HydrophobicContact CG1-CE2 4.09Å; I324-Y355 VanDerWaalsContact CG1-CZ 3.45Å; Y355-R357 PolarHBondContact O-N 3.31Å; Y355-D358 PolarHBondContact O-N 3.06Å; Y355-R359 WeakPolarHBondContact O-CG 3.29Å; Y355-R359 PolarHBondContact O-N 3.26Å; Y355-R359 VanDerWaalsContact O-N 3.15Å | ||
| 356 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | -167.7 | -56.1 | -178.3 | 0 | 0 | 0 | 113.9 | E261 L264 A265 I268 L320 T325 L330 L333 F354 R359 A360 | E261-L356 HydrophobicContact CB-CD2 4.37Å; E261-L356 WeakPolarHBondContact O-CD2 3.42Å; L264-L356 HydrophobicContact CB-CD2 3.69Å; L264-L356 HydrophobicContact CD1-CD2 4.32Å; A265-L356 HydrophobicContact CB-CB 4.19Å; I268-L356 HydrophobicContact CD1-CD1 3.54Å; L320-L356 HydrophobicContact CD1-CB 4.5Å; L320-L356 HydrophobicContact CD2-CB 4.24Å; L320-L356 HydrophobicContact CD2-CD1 4.44Å; T325-L356 HydrophobicContact CG2-CD1 4.27Å; L330-L356 HydrophobicContact CD2-CD1 3.7Å; L333-L356 HydrophobicContact CD1-CD1 4.37Å; F354-L356 HydrophobicContact CB-CD2 3.71Å; F354-L356 HydrophobicContact CB-CG 4.02Å; F354-L356 PolarHBondContact O-N 2.95Å; L356-R359 PolarHBondContact O-N 2.94Å; L356-A360 PolarHBondContact O-N 3Å; L356-A360 VanDerWaalsContact O-N 3.08Å |
| 357 | R | 98.5 | Very high | 96.8 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 23% | 0.234 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | -178.1 | 178.3 | 177.3 | 169.9 | -173.8 | -10.6 | 111.1 | V316 L320 P321 Y355 R359 A360 E361 | V316-R357 HydrophobicContact CG1-CG 4.01Å; L320-R357 HydrophobicContact CB-CB 3.82Å; L320-R357 HydrophobicContact CB-CG 4.41Å; P321-R357 VanDerWaalsContact O-CB 3.26Å; P321-R357 WeakPolarHBondContact O-CB 3.13Å; Y355-R357 PolarHBondContact O-N 3.31Å; R357-R359 VanDerWaalsContact C-N 3.32Å; R357-R359 PolarHBondContact O-N 3.49Å; R357-A360 PolarHBondContact O-N 2.87Å; R357-A360 VanDerWaalsContact O-N 3.15Å; R357-E361 HydrophobicContact CG-CG 4.28Å; R357-E361 IonicContact CZ-OE1 3.83Å; R357-E361 IonicContact NE-OE1 3.67Å; R357-E361 PolarHBondContact NE-OE1 3.18Å; R357-E361 IonicContact NH2-OE1 3.91Å; R357-E361 PolarHBondContact NH2-OE1 3.28Å; R357-E361 WeakPolarHBondContact O-CG 3.28Å; R357-E361 PolarHBondContact O-N 2.68Å |
| 358 | D | 98.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | -176.9 | -55.3 | -12.6 | 0 | 0 | 0 | 110.8 | Y355 A360 E361 H362 L411 | Y355-D358 PolarHBondContact O-N 3.06Å; D358-A360 PolarHBondContact O-N 3.35Å; D358-E361 PolarHBondContact O-N 2.71Å; D358-H362 WeakPolarHBondContact O-CB 3.46Å; D358-H362 PolarHBondContact O-N 3.16Å; D358-L411 CarbonylContact C-O 3.58Å; D358-L411 HydrophobicContact CB-CB 4.47Å; D358-L411 HydrophobicContact CB-CD2 4.32Å; D358-L411 VanDerWaalsContact CB-O 3.26Å; D358-L411 WeakPolarHBondContact CB-O 3.46Å |
| 359 | R | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 175.1 | -60.1 | -31.7 | 170.4 | -134.5 | -6.2 | 112 | R258 E261 Y355 L356 R357 V363 L411 Y412 | R258-R359 VanDerWaalsContact NH1-NH2 3.13Å; E261-R359 HydrophobicContact CB-CB 4.4Å; E261-R359 HydrophobicContact CB-CG 3.6Å; E261-R359 HydrophobicContact CG-CG 4.41Å; E261-R359 IonicContact OE1-NE 2.71Å; E261-R359 IonicContact OE1-NH2 3.33Å; E261-R359 PolarHBondContact OE1-NH2 3.15Å; E261-R359 IonicContact OE2-CZ 2.97Å; E261-R359 IonicContact OE2-NE 2.68Å; E261-R359 PolarHBondContact OE2-NE 3.43Å; E261-R359 IonicContact OE2-NH2 3.11Å; E261-R359 PolarHBondContact OE2-NH2 3.36Å; Y355-R359 WeakPolarHBondContact O-CG 3.29Å; Y355-R359 PolarHBondContact O-N 3.26Å; Y355-R359 VanDerWaalsContact O-N 3.15Å; L356-R359 PolarHBondContact O-N 2.94Å; R357-R359 VanDerWaalsContact C-N 3.32Å; R357-R359 PolarHBondContact O-N 3.49Å; R359-V363 VanDerWaalsContact O-CG2 3.23Å; R359-V363 WeakPolarHBondContact O-CG2 3.49Å; R359-V363 PolarHBondContact O-N 3.41Å; R359-L411 PolarHBondContact NH1-O 3.01Å; R359-Y412 HydrophobicContact CB-CE2 4.16Å; R359-Y412 HydrophobicContact CG-CE2 4.28Å; R359-Y412 PolarHBondContact NH1-O 2.86Å |
| 360 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A265 L269 L290 V316 L320 L356 R357 D358 H362 V363 Y364 | A265-A360 HydrophobicContact CB-CB 4.38Å; L269-A360 HydrophobicContact CD1-CB 4.49Å; L290-A360 HydrophobicContact CD1-CB 4.36Å; L290-A360 HydrophobicContact CD2-CB 4.21Å; V316-A360 HydrophobicContact CG1-CB 4.08Å; V316-A360 HydrophobicContact CG2-CB 4.22Å; L320-A360 HydrophobicContact CD1-CB 3.68Å; L356-A360 PolarHBondContact O-N 3Å; L356-A360 VanDerWaalsContact O-N 3.08Å; R357-A360 PolarHBondContact O-N 2.87Å; R357-A360 VanDerWaalsContact O-N 3.15Å; D358-A360 PolarHBondContact O-N 3.35Å; A360-H362 VanDerWaalsContact C-N 3.33Å; A360-H362 PolarHBondContact O-N 3.38Å; A360-V363 PolarHBondContact O-N 3.09Å; A360-Y364 HydrophobicContact CB-CD2 4.35Å; A360-Y364 HydrophobicContact CB-CE2 4.13Å; A360-Y364 WeakPolarHBondContact O-CD2 3.41Å; A360-Y364 PolarHBondContact O-N 2.86Å |
| 361 | E | 98.7 | Very high | 98 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.6 | -71.7 | -176.9 | 174.2 | 0 | 0 | 111.9 | I306 V316 T317 R357 D358 S365 L411 | I306-E361 HydrophobicContact CG2-CG 4.41Å; V316-E361 HydrophobicContact CG1-CG 3.69Å; T317-E361 WeakPolarHBondContact CG2-OE1 3.28Å; R357-E361 HydrophobicContact CG-CG 4.28Å; R357-E361 IonicContact CZ-OE1 3.83Å; R357-E361 IonicContact NE-OE1 3.67Å; R357-E361 PolarHBondContact NE-OE1 3.18Å; R357-E361 IonicContact NH2-OE1 3.91Å; R357-E361 PolarHBondContact NH2-OE1 3.28Å; R357-E361 WeakPolarHBondContact O-CG 3.28Å; R357-E361 PolarHBondContact O-N 2.68Å; D358-E361 PolarHBondContact O-N 2.71Å; E361-S365 WeakPolarHBondContact O-CB 3.47Å; E361-S365 PolarHBondContact O-N 2.96Å; E361-S365 VanDerWaalsContact O-N 3.09Å; E361-S365 PolarHBondContact O-OG 3.39Å; E361-L411 HydrophobicContact CB-CD1 4.08Å |
| 362 | H | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.4 | -56.3 | 171.6 | 173.2 | 72.4 | 0 | 0 | 0 | 111.1 | E46 D358 A360 Y364 S365 E366 S407 L411 Y412 | E46-H362 PolarHBondContact O-NE2 3.27Å; D358-H362 WeakPolarHBondContact O-CB 3.46Å; D358-H362 PolarHBondContact O-N 3.16Å; A360-H362 VanDerWaalsContact C-N 3.33Å; A360-H362 PolarHBondContact O-N 3.38Å; H362-Y364 PolarHBondContact O-N 3.03Å; H362-S365 PolarHBondContact O-N 2.97Å; H362-S365 PolarHBondContact O-OG 3.41Å; H362-S365 VanDerWaalsContact O-OG 3.09Å; H362-E366 WeakPolarHBondContact O-CB 3.5Å; H362-E366 PolarHBondContact O-N 3.32Å; H362-S407 PolarHBondContact ND1-OG 3.15Å; H362-L411 HydrophobicContact CB-CB 3.9Å; H362-Y412 HydrophobicContact CB-CD2 3.69Å; H362-Y412 HydrophobicContact CB-CE2 4.47Å; H362-Y412 AromaticContact CD2-CD2 3.03Å; H362-Y412 WeakPolarHBondContact CD2-CD2 3.31Å; H362-Y412 AromaticContact CD2-CE2 3.5Å; H362-Y412 AromaticContact CD2-CG 3.58Å; H362-Y412 AromaticContact CG-CD2 3.39Å; H362-Y412 AromaticContact CG-CG 3.92Å; H362-Y412 AromaticContact NE2-CD2 3.8Å; H362-Y412 AromaticContact NE2-CG 3.88Å |
| 363 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.8 | -49.3 | -172.2 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | I48 N51 Y53 L290 R359 A360 E366 A367 Y412 | I48-V363 HydrophobicContact CB-CG1 4.34Å; I48-V363 HydrophobicContact CG2-CB 4.13Å; I48-V363 HydrophobicContact CG2-CG1 3.94Å; I48-V363 HydrophobicContact CG2-CG2 4.13Å; N51-V363 HydrophobicContact CB-CG1 3.62Å; N51-V363 HydrophobicContact CB-CG2 4.47Å; N51-V363 WeakPolarHBondContact ND2-CG2 3.3Å; Y53-V363 HydrophobicContact CD2-CG1 3.62Å; Y53-V363 HydrophobicContact CE2-CG1 3.72Å; L290-V363 HydrophobicContact CB-CG1 4.1Å; L290-V363 HydrophobicContact CD1-CB 3.64Å; L290-V363 HydrophobicContact CD1-CG1 3.71Å; L290-V363 HydrophobicContact CD1-CG2 3.8Å; R359-V363 VanDerWaalsContact O-CG2 3.23Å; R359-V363 WeakPolarHBondContact O-CG2 3.49Å; R359-V363 PolarHBondContact O-N 3.41Å; A360-V363 PolarHBondContact O-N 3.09Å; V363-E366 PolarHBondContact O-N 3.39Å; V363-A367 WeakPolarHBondContact O-CB 3.46Å; V363-A367 PolarHBondContact O-N 3.37Å; V363-Y412 HydrophobicContact CG2-CE2 4.27Å |
| 364 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.7 | -41.7 | -179.9 | -67.2 | -58.3 | 0 | 0 | 0 | 111.7 | Y53 L269 L290 Q294 P302 M305 I306 V316 A360 H362 E368 | Y53-Y364 HydrophobicContact CE2-CD1 4.12Å; Y53-Y364 HydrophobicContact CE2-CE1 4.16Å; Y53-Y364 AromaticContact CZ-CD1 3.93Å; Y53-Y364 AromaticContact CZ-CE1 3.98Å; Y53-Y364 VanDerWaalsContact OH-CD1 3.25Å; Y53-Y364 WeakPolarHBondContact OH-CD1 3.35Å; Y53-Y364 WeakPolarHBondContact OH-CE1 3.1Å; L269-Y364 HydrophobicContact CD1-CE2 3.94Å; L290-Y364 HydrophobicContact CB-CE1 4.15Å; L290-Y364 HydrophobicContact CD2-CE2 4.08Å; L290-Y364 WeakPolarHBondContact CD2-OH 3.49Å; L290-Y364 PolarHBondContact O-OH 3.07Å; Q294-Y364 HydrophobicContact CB-CE1 4.2Å; P302-Y364 HydrophobicContact CB-CD1 4.15Å; P302-Y364 WeakPolarHBondContact CB-O 3.26Å; M305-Y364 HydrophobicContact CB-CD1 3.91Å; M305-Y364 HydrophobicContact CB-CD2 3.77Å; M305-Y364 HydrophobicContact CB-CE1 3.99Å; M305-Y364 HydrophobicContact CB-CE2 3.86Å; M305-Y364 HydrophobicContact CB-CG 3.82Å; M305-Y364 HydrophobicContact CE-CE2 4.37Å; M305-Y364 HydrophobicContact CG-CD1 3.9Å; M305-Y364 HydrophobicContact CG-CD2 4.5Å; M305-Y364 HydrophobicContact CG-CE1 3.66Å; M305-Y364 HydrophobicContact CG-CE2 4.29Å; M305-Y364 HydrophobicContact CG-CG 4.33Å; I306-Y364 HydrophobicContact CG2-CD2 4.01Å; I306-Y364 HydrophobicContact CG2-CG 4.28Å; V316-Y364 HydrophobicContact CG2-CD2 3.68Å; V316-Y364 HydrophobicContact CG2-CE2 3.57Å; A360-Y364 HydrophobicContact CB-CD2 4.35Å; A360-Y364 HydrophobicContact CB-CE2 4.13Å; A360-Y364 WeakPolarHBondContact O-CD2 3.41Å; A360-Y364 PolarHBondContact O-N 2.86Å; H362-Y364 PolarHBondContact O-N 3.03Å; Y364-E368 PolarHBondContact O-N 2.82Å |
| 365 | S | 98.6 | Very high | 98.1 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 15% | 0.147 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.2 | -32.5 | 178.4 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | E361 H362 R369 | E361-S365 WeakPolarHBondContact O-CB 3.47Å; E361-S365 PolarHBondContact O-N 2.96Å; E361-S365 VanDerWaalsContact O-N 3.09Å; E361-S365 PolarHBondContact O-OG 3.39Å; H362-S365 PolarHBondContact O-N 2.97Å; H362-S365 PolarHBondContact O-OG 3.41Å; H362-S365 VanDerWaalsContact O-OG 3.09Å; S365-R369 VanDerWaalsContact CB-NH1 3.34Å; S365-R369 WeakPolarHBondContact O-CG 3.37Å; S365-R369 PolarHBondContact O-N 2.8Å; S365-R369 VanDerWaalsContact O-N 3.16Å; S365-R369 PolarHBondContact O-NH1 3.14Å; S365-R369 PolarHBondContact OG-NH1 2.97Å; S365-R369 PolarHBondContact OG-NH2 3.25Å |
| 366 | E | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.4 | -41.5 | 176.4 | -173.3 | 72.3 | 179.6 | 0 | 0 | 111 | G45 E46 I48 H362 V363 E368 R369 V370 S404 | G45-E366 WeakPolarHBondContact CA-OE1 3.47Å; G45-E366 PolarHBondContact N-OE1 2.83Å; E46-E366 PolarHBondContact N-OE1 2.72Å; I48-E366 HydrophobicContact CD1-CB 4.47Å; I48-E366 HydrophobicContact CD1-CG 4.06Å; I48-E366 HydrophobicContact CG2-CB 3.85Å; I48-E366 HydrophobicContact CG2-CG 3.97Å; H362-E366 WeakPolarHBondContact O-CB 3.5Å; H362-E366 PolarHBondContact O-N 3.32Å; V363-E366 PolarHBondContact O-N 3.39Å; E366-E368 VanDerWaalsContact C-N 3.3Å; E366-E368 PolarHBondContact O-N 2.6Å; E366-R369 VanDerWaalsContact CA-NH2 3.27Å; E366-R369 WeakPolarHBondContact O-CA 3.28Å; E366-R369 WeakPolarHBondContact O-CB 3.36Å; E366-R369 PolarHBondContact O-N 2.68Å; E366-R369 IonicContact OE2-CZ 3.72Å; E366-R369 IonicContact OE2-NE 3.74Å; E366-R369 PolarHBondContact OE2-NE 2.97Å; E366-R369 IonicContact OE2-NH2 2.87Å; E366-R369 PolarHBondContact OE2-NH2 3.25Å; E366-V370 WeakPolarHBondContact O-CG2 3.49Å; E366-V370 PolarHBondContact O-N 3.38Å; E366-S404 VanDerWaalsContact CD-OG 3.25Å; E366-S404 WeakPolarHBondContact OE1-CB 3.42Å; E366-S404 PolarHBondContact OE1-OG 3.36Å; E366-S404 WeakPolarHBondContact OE2-CA 3.36Å; E366-S404 VanDerWaalsContact OE2-CB 3.25Å; E366-S404 WeakPolarHBondContact OE2-CB 3.34Å; E366-S404 PolarHBondContact OE2-OG 3.39Å; E366-S404 VanDerWaalsContact OE2-OG 3.1Å |
| 367 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.8 | -43.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I48 Y53 P302 V363 R369 V370 F371 | I48-A367 HydrophobicContact CD1-CB 4.2Å; Y53-A367 HydrophobicContact CD1-CB 3.62Å; Y53-A367 HydrophobicContact CD2-CB 4.13Å; Y53-A367 HydrophobicContact CE1-CB 4.14Å; Y53-A367 HydrophobicContact CG-CB 3.62Å; P302-A367 HydrophobicContact CB-CB 3.96Å; P302-A367 HydrophobicContact CG-CB 3.74Å; V363-A367 WeakPolarHBondContact O-CB 3.46Å; V363-A367 PolarHBondContact O-N 3.37Å; A367-R369 VanDerWaalsContact C-N 3.33Å; A367-R369 PolarHBondContact O-N 2.94Å; A367-V370 PolarHBondContact O-N 3.46Å; A367-F371 WeakPolarHBondContact O-CD2 3.27Å; A367-F371 PolarHBondContact O-N 3.14Å; A367-F371 VanDerWaalsContact O-N 3.15Å |
| 368 | E | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 26.1 Ų | 26.1 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 171.8 | -79.7 | -63.8 | 123.3 | 0 | 0 | 112.8 | P302 D303 Y364 E366 V370 F371 K372 | P302-E368 HydrophobicContact CB-CG 4.16Å; P302-E368 VanDerWaalsContact CD-OE1 3.25Å; P302-E368 WeakPolarHBondContact CD-OE1 3.23Å; D303-E368 HydrophobicContact CB-CG 3.73Å; D303-E368 PolarHBondContact N-OE1 2.49Å; Y364-E368 PolarHBondContact O-N 2.82Å; E366-E368 VanDerWaalsContact C-N 3.3Å; E366-E368 PolarHBondContact O-N 2.6Å; E368-V370 VanDerWaalsContact C-N 3.33Å; E368-V370 PolarHBondContact O-N 2.86Å; E368-F371 PolarHBondContact O-N 2.86Å; E368-K372 WeakPolarHBondContact O-CB 3.41Å; E368-K372 VanDerWaalsContact O-CG 3.28Å; E368-K372 WeakPolarHBondContact O-CG 3.21Å; E368-K372 PolarHBondContact O-N 3.06Å; E368-K372 IonicContact OE2-NZ 2.76Å |
| 369 | R | 98.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 178.3 | -72.2 | -175.4 | -73 | -83.6 | 0.8 | 111.5 | I44 S365 E366 A367 K372 F373 L400 S407 | I44-R369 HydrophobicContact CD1-CB 3.67Å; I44-R369 HydrophobicContact CG1-CB 4.28Å; S365-R369 VanDerWaalsContact CB-NH1 3.34Å; S365-R369 WeakPolarHBondContact O-CG 3.37Å; S365-R369 PolarHBondContact O-N 2.8Å; S365-R369 VanDerWaalsContact O-N 3.16Å; S365-R369 PolarHBondContact O-NH1 3.14Å; S365-R369 PolarHBondContact OG-NH1 2.97Å; S365-R369 PolarHBondContact OG-NH2 3.25Å; E366-R369 VanDerWaalsContact CA-NH2 3.27Å; E366-R369 WeakPolarHBondContact O-CA 3.28Å; E366-R369 WeakPolarHBondContact O-CB 3.36Å; E366-R369 PolarHBondContact O-N 2.68Å; E366-R369 IonicContact OE2-CZ 3.72Å; E366-R369 IonicContact OE2-NE 3.74Å; E366-R369 PolarHBondContact OE2-NE 2.97Å; E366-R369 IonicContact OE2-NH2 2.87Å; E366-R369 PolarHBondContact OE2-NH2 3.25Å; A367-R369 VanDerWaalsContact C-N 3.33Å; A367-R369 PolarHBondContact O-N 2.94Å; R369-K372 PolarHBondContact O-N 3.45Å; R369-F373 VanDerWaalsContact O-CB 3.31Å; R369-F373 WeakPolarHBondContact O-CB 3.32Å; R369-F373 PolarHBondContact O-N 2.95Å; R369-L400 HydrophobicContact CB-CD2 4.32Å; R369-L400 HydrophobicContact CG-CD2 4.01Å; R369-S407 VanDerWaalsContact NH2-CB 3.31Å; R369-S407 PolarHBondContact NH2-OG 3.49Å |
| 370 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | I44 I48 P54 L56 M217 E366 A367 E368 K372 F373 Y374 | I44-V370 HydrophobicContact CG1-CG2 4.26Å; I44-V370 HydrophobicContact CG2-CG2 4.09Å; I48-V370 HydrophobicContact CD1-CG2 3.8Å; P54-V370 HydrophobicContact CB-CG1 4.38Å; P54-V370 HydrophobicContact CG-CG1 4.39Å; L56-V370 HydrophobicContact CB-CG1 4.27Å; M217-V370 HydrophobicContact CE-CG1 4.01Å; M217-V370 HydrophobicContact SD-CG1 3.7Å; E366-V370 WeakPolarHBondContact O-CG2 3.49Å; E366-V370 PolarHBondContact O-N 3.38Å; A367-V370 PolarHBondContact O-N 3.46Å; E368-V370 VanDerWaalsContact C-N 3.33Å; E368-V370 PolarHBondContact O-N 2.86Å; V370-K372 VanDerWaalsContact C-N 3.32Å; V370-K372 PolarHBondContact O-N 3.44Å; V370-F373 PolarHBondContact O-N 2.75Å; V370-Y374 WeakPolarHBondContact O-CB 3.49Å; V370-Y374 PolarHBondContact O-N 2.93Å |
| 371 | F | 97.7 | Very high | 94.9 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 30% | 0.298 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.6 | -70.9 | -61.9 | 0 | 0 | 0 | 112.2 | P54 M217 P302 A367 E368 N375 | P54-F371 HydrophobicContact CG-CD1 4.39Å; P54-F371 HydrophobicContact CG-CE1 3.66Å; P54-F371 HydrophobicContact CG-CE2 4.04Å; P54-F371 HydrophobicContact CG-CZ 3.45Å; P54-F371 VanDerWaalsContact CG-CZ 3.45Å; M217-F371 HydrophobicContact CE-CD1 3.79Å; M217-F371 HydrophobicContact CE-CE1 4.01Å; P302-F371 HydrophobicContact CG-CE2 4.11Å; A367-F371 WeakPolarHBondContact O-CD2 3.27Å; A367-F371 PolarHBondContact O-N 3.14Å; A367-F371 VanDerWaalsContact O-N 3.15Å; E368-F371 PolarHBondContact O-N 2.86Å; F371-N375 VanDerWaalsContact O-CB 3.28Å; F371-N375 WeakPolarHBondContact O-CB 3.35Å; F371-N375 PolarHBondContact O-N 3.19Å; F371-N375 PolarHBondContact O-ND2 3.44Å |
| 372 | K | 97.7 | Very high | 93.9 | Very high | 99 Ų | 99 | 38.3 Ų | 38.3 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 176.6 | -72.5 | 169.5 | -172.8 | 171.2 | 0 | 111.7 | E368 R369 V370 N375 I376 L400 | E368-K372 WeakPolarHBondContact O-CB 3.41Å; E368-K372 VanDerWaalsContact O-CG 3.28Å; E368-K372 WeakPolarHBondContact O-CG 3.21Å; E368-K372 PolarHBondContact O-N 3.06Å; E368-K372 IonicContact OE2-NZ 2.76Å; R369-K372 PolarHBondContact O-N 3.45Å; V370-K372 VanDerWaalsContact C-N 3.32Å; V370-K372 PolarHBondContact O-N 3.44Å; K372-N375 PolarHBondContact O-N 3.5Å; K372-I376 VanDerWaalsContact O-CG1 3.28Å; K372-I376 WeakPolarHBondContact O-CG1 3.42Å; K372-I376 PolarHBondContact O-N 3.27Å; K372-L400 HydrophobicContact CB-CD1 3.93Å; K372-L400 HydrophobicContact CB-CD2 4.21Å; K372-L400 HydrophobicContact CD-CD2 4.39Å |
| 373 | F | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -51 | 178.9 | -163.8 | -70.8 | 0 | 0 | 0 | 110.7 | I44 L56 R369 V370 N375 I376 C377 L397 L400 M401 | I44-F373 HydrophobicContact CB-CD2 4.34Å; I44-F373 HydrophobicContact CD1-CB 4.2Å; I44-F373 HydrophobicContact CD1-CD2 3.87Å; I44-F373 HydrophobicContact CD1-CG 4.4Å; I44-F373 HydrophobicContact CG2-CB 3.81Å; I44-F373 HydrophobicContact CG2-CD1 4.26Å; I44-F373 HydrophobicContact CG2-CD2 4Å; I44-F373 HydrophobicContact CG2-CG 3.77Å; L56-F373 HydrophobicContact CD2-CB 4.45Å; L56-F373 HydrophobicContact CD2-CD1 3.28Å; L56-F373 HydrophobicContact CD2-CE1 3.78Å; L56-F373 HydrophobicContact CD2-CG 4.14Å; R369-F373 VanDerWaalsContact O-CB 3.31Å; R369-F373 WeakPolarHBondContact O-CB 3.32Å; R369-F373 PolarHBondContact O-N 2.95Å; V370-F373 PolarHBondContact O-N 2.75Å; F373-N375 VanDerWaalsContact C-N 3.35Å; F373-N375 PolarHBondContact O-N 3.03Å; F373-I376 PolarHBondContact O-N 3.07Å; F373-C377 PolarHBondContact O-N 3.38Å; F373-C377 PolarHBondContact O-SG 2.7Å; F373-L397 HydrophobicContact CB-CD2 4.48Å; F373-L397 HydrophobicContact CD1-CD2 3.72Å; F373-L397 HydrophobicContact CD2-CB 4.39Å; F373-L397 HydrophobicContact CD2-CD2 3.75Å; F373-L397 HydrophobicContact CE1-CD1 4.49Å; F373-L397 HydrophobicContact CE1-CD2 3.79Å; F373-L397 HydrophobicContact CE2-CB 3.82Å; F373-L397 HydrophobicContact CE2-CD2 3.8Å; F373-L397 HydrophobicContact CE2-CG 4.33Å; F373-L397 HydrophobicContact CG-CD2 3.72Å; F373-L397 HydrophobicContact CZ-CB 4.08Å; F373-L397 HydrophobicContact CZ-CD1 4.33Å; F373-L397 HydrophobicContact CZ-CD2 3.83Å; F373-L397 HydrophobicContact CZ-CG 4.29Å; F373-L400 HydrophobicContact CB-CD1 3.96Å; F373-L400 HydrophobicContact CD2-CB 4.24Å; F373-L400 HydrophobicContact CD2-CD1 4.24Å; F373-M401 HydrophobicContact CE2-CG 3.94Å; F373-M401 HydrophobicContact CE2-SD 4.32Å |
| 374 | Y | 95.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 48 Ų | 48 | 13% | 0.125 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 177.7 | -178.4 | -107.3 | 0 | 0 | 0 | 112.5 | L56 M217 S228 I230 V370 I376 C377 K378 | L56-Y374 HydrophobicContact CD1-CD2 4.07Å; M217-Y374 HydrophobicContact CB-CD2 3.82Å; M217-Y374 HydrophobicContact CB-CE2 3.62Å; M217-Y374 HydrophobicContact CE-CD1 3.98Å; M217-Y374 HydrophobicContact CE-CD2 4.48Å; M217-Y374 HydrophobicContact CE-CG 3.89Å; M217-Y374 HydrophobicContact CG-CD2 4.17Å; M217-Y374 HydrophobicContact CG-CE2 4.18Å; M217-Y374 HydrophobicContact CG-CG 4.45Å; M217-Y374 HydrophobicContact SD-CD2 4.18Å; M217-Y374 HydrophobicContact SD-CG 4.14Å; S228-Y374 WeakPolarHBondContact CB-OH 3.26Å; I230-Y374 HydrophobicContact CB-CD2 4.18Å; I230-Y374 HydrophobicContact CB-CE2 3.74Å; I230-Y374 HydrophobicContact CG1-CD2 4.38Å; I230-Y374 HydrophobicContact CG1-CE2 4.18Å; I230-Y374 HydrophobicContact CG2-CD2 3.97Å; I230-Y374 HydrophobicContact CG2-CE2 3.94Å; V370-Y374 WeakPolarHBondContact O-CB 3.49Å; V370-Y374 PolarHBondContact O-N 2.93Å; Y374-I376 VanDerWaalsContact C-N 3.34Å; Y374-I376 PolarHBondContact O-N 2.75Å; Y374-C377 PolarHBondContact O-N 3.24Å; Y374-K378 HydrophobicContact CD1-CD 3.95Å; Y374-K378 HydrophobicContact CD1-CG 4.49Å; Y374-K378 HydrophobicContact CE1-CD 3.39Å; Y374-K378 HydrophobicContact CE1-CG 4.18Å; Y374-K378 PolarHBondContact O-N 3.19Å |
| 375 | N | 94.5 | Very high | 88.8 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -33.9 | 177.7 | -76 | -33.3 | 0 | 0 | 0 | 113 | F371 K372 F373 K379 | F371-N375 VanDerWaalsContact O-CB 3.28Å; F371-N375 WeakPolarHBondContact O-CB 3.35Å; F371-N375 PolarHBondContact O-N 3.19Å; F371-N375 PolarHBondContact O-ND2 3.44Å; K372-N375 PolarHBondContact O-N 3.5Å; F373-N375 VanDerWaalsContact C-N 3.35Å; F373-N375 PolarHBondContact O-N 3.03Å; N375-K379 VanDerWaalsContact O-CG 3.31Å; N375-K379 WeakPolarHBondContact O-CG 3.33Å; N375-K379 PolarHBondContact O-N 3.46Å; N375-K379 VanDerWaalsContact O-N 3.12Å |
| 376 | I | 93.7 | Very high | 86.6 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 172.4 | -69.7 | 161.4 | 0 | 0 | 0 | 109.6 | K372 F373 Y374 K378 K379 I380 Y393 L396 L397 L400 | K372-I376 VanDerWaalsContact O-CG1 3.28Å; K372-I376 WeakPolarHBondContact O-CG1 3.42Å; K372-I376 PolarHBondContact O-N 3.27Å; F373-I376 PolarHBondContact O-N 3.07Å; Y374-I376 VanDerWaalsContact C-N 3.34Å; Y374-I376 PolarHBondContact O-N 2.75Å; I376-K378 VanDerWaalsContact C-N 3.35Å; I376-K378 PolarHBondContact O-N 2.81Å; I376-K379 PolarHBondContact O-N 3.01Å; I376-K379 VanDerWaalsContact O-N 3.13Å; I376-I380 HydrophobicContact CG2-CD1 4.12Å; I376-I380 WeakPolarHBondContact O-CG1 3.34Å; I376-I380 PolarHBondContact O-N 2.92Å; I376-I380 VanDerWaalsContact O-N 3.13Å; I376-Y393 HydrophobicContact CG2-CD1 4.03Å; I376-L396 HydrophobicContact CD1-CB 4.06Å; I376-L397 HydrophobicContact CB-CD2 3.75Å; I376-L397 HydrophobicContact CD1-CD2 4.23Å; I376-L397 HydrophobicContact CG2-CD1 4.44Å; I376-L397 HydrophobicContact CG2-CD2 3.53Å; I376-L397 HydrophobicContact CG2-CG 3.83Å; I376-L400 HydrophobicContact CD1-CD1 3.71Å |
| 377 | C | 92.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.5 | -50.3 | 176 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | I230 F373 Y374 K379 I380 F381 | I230-C377 HydrophobicContact CD1-CB 4.32Å; I230-C377 HydrophobicContact CG1-CB 3.65Å; F373-C377 PolarHBondContact O-N 3.38Å; F373-C377 PolarHBondContact O-SG 2.7Å; Y374-C377 PolarHBondContact O-N 3.24Å; C377-K379 VanDerWaalsContact C-N 3.3Å; C377-K379 PolarHBondContact O-N 3.46Å; C377-I380 PolarHBondContact O-N 3.32Å; C377-I380 VanDerWaalsContact O-N 3.13Å; C377-F381 VanDerWaalsContact O-CD2 3.26Å; C377-F381 WeakPolarHBondContact O-CD2 3.37Å; C377-F381 PolarHBondContact O-N 3.06Å |
| 378 | K | 90.5 | Very high | 82.2 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 177.4 | -75 | -174.2 | 64.5 | 173.6 | 0 | 113.8 | I230 Y374 I376 F381 S382 | I230-K378 HydrophobicContact CD1-CG 3.77Å; Y374-K378 HydrophobicContact CD1-CD 3.95Å; Y374-K378 HydrophobicContact CD1-CG 4.49Å; Y374-K378 HydrophobicContact CE1-CD 3.39Å; Y374-K378 HydrophobicContact CE1-CG 4.18Å; Y374-K378 PolarHBondContact O-N 3.19Å; I376-K378 VanDerWaalsContact C-N 3.35Å; I376-K378 PolarHBondContact O-N 2.81Å; K378-F381 PolarHBondContact O-N 3.39Å; K378-S382 PolarHBondContact O-N 3.01Å |
| 379 | K | 88.4 | Confident | 80.8 | Confident | 127 Ų | 127 | 72 Ų | 72 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 178.5 | -76.3 | 174.1 | -178.2 | -178.4 | 0 | 111.9 | N375 I376 C377 F381 S382 I383 | N375-K379 VanDerWaalsContact O-CG 3.31Å; N375-K379 WeakPolarHBondContact O-CG 3.33Å; N375-K379 PolarHBondContact O-N 3.46Å; N375-K379 VanDerWaalsContact O-N 3.12Å; I376-K379 PolarHBondContact O-N 3.01Å; I376-K379 VanDerWaalsContact O-N 3.13Å; C377-K379 VanDerWaalsContact C-N 3.3Å; C377-K379 PolarHBondContact O-N 3.46Å; K379-F381 VanDerWaalsContact C-N 3.31Å; K379-F381 PolarHBondContact O-N 3.36Å; K379-S382 WeakPolarHBondContact CA-OG 3.41Å; K379-S382 PolarHBondContact O-N 3.15Å; K379-S382 VanDerWaalsContact O-N 3.13Å; K379-S382 PolarHBondContact O-OG 3.15Å; K379-I383 WeakPolarHBondContact O-CG1 3.41Å; K379-I383 PolarHBondContact O-N 3.4Å |
| 380 | I | 83.5 | Confident | 79.4 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.082 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.9 | -60.1 | 162.9 | 0 | 0 | 0 | 110.4 | P233 I376 C377 S382 I383 T388 Y393 L397 | P233-I380 HydrophobicContact CB-CG2 4.45Å; P233-I380 HydrophobicContact CG-CB 4.44Å; P233-I380 HydrophobicContact CG-CD1 3.7Å; P233-I380 HydrophobicContact CG-CG2 3.86Å; I376-I380 HydrophobicContact CG2-CD1 4.12Å; I376-I380 WeakPolarHBondContact O-CG1 3.34Å; I376-I380 PolarHBondContact O-N 2.92Å; I376-I380 VanDerWaalsContact O-N 3.13Å; C377-I380 PolarHBondContact O-N 3.32Å; C377-I380 VanDerWaalsContact O-N 3.13Å; I380-S382 VanDerWaalsContact C-N 3.26Å; I380-S382 PolarHBondContact O-N 3.06Å; I380-I383 PolarHBondContact O-N 3.49Å; I380-T388 HydrophobicContact CG2-CG2 4.48Å; I380-Y393 HydrophobicContact CD1-CD1 4.28Å; I380-Y393 HydrophobicContact CD1-CG 3.94Å; I380-Y393 HydrophobicContact CG1-CD1 3.81Å; I380-Y393 HydrophobicContact CG1-CD2 3.95Å; I380-Y393 HydrophobicContact CG1-CE1 4.31Å; I380-Y393 HydrophobicContact CG1-CE2 4.43Å; I380-Y393 HydrophobicContact CG1-CG 3.61Å; I380-L397 HydrophobicContact CD1-CD1 4.41Å |
| 381 | F | 75.7 | Confident | 78.4 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 37% | 0.368 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.1 | -19.3 | 178 | -76.8 | -77.8 | 0 | 0 | 0 | 114.9 | I230 Q231 C377 K378 K379 | I230-F381 HydrophobicContact CD1-CD2 4.25Å; Q231-F381 HydrophobicContact CB-CD1 4.28Å; Q231-F381 HydrophobicContact CB-CE1 3.54Å; Q231-F381 HydrophobicContact CB-CE2 3.94Å; Q231-F381 HydrophobicContact CB-CZ 3.36Å; Q231-F381 VanDerWaalsContact CD-CE1 3.48Å; Q231-F381 HydrophobicContact CG-CE1 3.55Å; Q231-F381 HydrophobicContact CG-CE2 4.47Å; Q231-F381 HydrophobicContact CG-CZ 3.47Å; Q231-F381 VanDerWaalsContact CG-CZ 3.47Å; Q231-F381 WeakPolarHBondContact O-CE2 3.21Å; Q231-F381 WeakPolarHBondContact O-CZ 3.37Å; C377-F381 VanDerWaalsContact O-CD2 3.26Å; C377-F381 WeakPolarHBondContact O-CD2 3.37Å; C377-F381 PolarHBondContact O-N 3.06Å; K378-F381 PolarHBondContact O-N 3.39Å; K379-F381 VanDerWaalsContact C-N 3.31Å; K379-F381 PolarHBondContact O-N 3.36Å |
| 382 | S | 77.1 | Confident | 77.9 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -85.8 | -11.4 | 178.5 | 65.9 | 0 | 0 | 0 | 0 | 114 | K378 K379 I380 | K378-S382 PolarHBondContact O-N 3.01Å; K379-S382 WeakPolarHBondContact CA-OG 3.41Å; K379-S382 PolarHBondContact O-N 3.15Å; K379-S382 VanDerWaalsContact O-N 3.13Å; K379-S382 PolarHBondContact O-OG 3.15Å; I380-S382 VanDerWaalsContact C-N 3.26Å; I380-S382 PolarHBondContact O-N 3.06Å |
| 383 | I | 72.8 | Confident | 77.6 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 35% | 0.349 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -97.3 | 130.9 | -179 | -62.5 | 166.6 | 0 | 0 | 0 | 107.9 | K379 I380 D385 Y393 | K379-I383 WeakPolarHBondContact O-CG1 3.41Å; K379-I383 PolarHBondContact O-N 3.4Å; I380-I383 PolarHBondContact O-N 3.49Å; I383-D385 PolarHBondContact O-N 2.98Å; I383-Y393 HydrophobicContact CD1-CE2 4.32Å; I383-Y393 WeakPolarHBondContact CD1-OH 3.23Å |
| 384 | D | 60.3 | Low | 77.4 | Confident | 136 Ų | 136 | 75.6 Ų | 75.6 | 73% | 0.727 | 40% | 0.395 | S | S | * | . | trans | -60.8 | 129.4 | 176.5 | -159.6 | 2.9 | 0 | 0 | 0 | 110.1 | S386 | D384-S386 PolarHBondContact O-N 3.46Š| ||
| 385 | D | 57 | Low | 77.4 | Confident | 138 Ų | 138 | 77.9 Ų | 77.9 | 74% | 0.738 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -56.9 | -11.7 | -165.4 | -104.9 | -20.1 | 0 | 0 | 0 | 114.8 | I383 Q387 T388 | I383-D385 PolarHBondContact O-N 2.98Å; D385-Q387 PolarHBondContact O-N 2.92Å; D385-T388 PolarHBondContact O-OG1 3.23Å |
| 386 | S | 52.1 | Low | 77.5 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 68% | 0.678 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -77.1 | -12.5 | -169.5 | 64.5 | 0 | 0 | 0 | 0 | 115.6 | D384 | D384-S386 PolarHBondContact O-N 3.46Š|
| 387 | Q | 50.3 | Low | 77.6 | Confident | 176 Ų | 176 | 76.2 Ų | 76.2 | 82% | 0.822 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -137.8 | 24.2 | 179.7 | -65.7 | -166.5 | 7.6 | 0 | 0 | 114.4 | D385 N389 | D385-Q387 PolarHBondContact O-N 2.92Å; Q387-N389 PolarHBondContact O-N 3.09Å; Q387-N389 VanDerWaalsContact O-N 3.15Å |
| 388 | T | 55.2 | Low | 77.9 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 23% | 0.233 | 40% | 0.397 | C | S | . | . | trans | -70.9 | 115.8 | -175 | -11.2 | 0 | 0 | 0 | 0 | 110.7 | I380 D385 S390 Y393 | I380-T388 HydrophobicContact CG2-CG2 4.48Å; D385-T388 PolarHBondContact O-OG1 3.23Å; T388-S390 PolarHBondContact O-N 3.05Å; T388-Y393 HydrophobicContact CG2-CD2 4.38Å; T388-Y393 HydrophobicContact CG2-CE2 4.21Å | ||
| 389 | N | 67.8 | Low | 78.3 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 57% | 0.567 | 39% | 0.39 | S | S | * | . | trans | -72.9 | 61.1 | 165.8 | -155.1 | -1.2 | 0 | 0 | 0 | 108.7 | Q387 I391 N392 | Q387-N389 PolarHBondContact O-N 3.09Å; Q387-N389 VanDerWaalsContact O-N 3.15Å; N389-I391 PolarHBondContact O-N 3.48Å; N389-I391 VanDerWaalsContact O-N 3.09Å; N389-N392 HydrophobicContact CB-CB 4.29Å; N389-N392 VanDerWaalsContact O-CB 3.31Å; N389-N392 WeakPolarHBondContact O-CB 3.18Å; N389-N392 PolarHBondContact O-N 3.44Å | ||
| 390 | S | 70.3 | Confident | 78.8 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.3 | -31.9 | -167.9 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | D235 T388 N392 Y393 M394 | D235-S390 WeakPolarHBondContact OD2-CB 3.47Å; D235-S390 PolarHBondContact OD2-OG 3.36Å; T388-S390 PolarHBondContact O-N 3.05Å; S390-N392 VanDerWaalsContact C-N 3.32Å; S390-N392 PolarHBondContact O-N 3.34Å; S390-Y393 PolarHBondContact O-N 2.79Å; S390-M394 WeakPolarHBondContact O-CE 3.21Å; S390-M394 PolarHBondContact O-N 2.76Å |
| 391 | I | 76.6 | Confident | 79.5 | Confident | 88 Ų | 88 | 67.7 Ų | 67.7 | 45% | 0.451 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 173.4 | -64.6 | 175.1 | 0 | 0 | 0 | 111.8 | N389 Q395 F432 | N389-I391 PolarHBondContact O-N 3.48Å; N389-I391 VanDerWaalsContact O-N 3.09Å; I391-Q395 WeakPolarHBondContact O-CB 3.33Å; I391-Q395 PolarHBondContact O-N 2.95Å; I391-F432 HydrophobicContact CG2-CE1 4.28Å |
| 392 | N | 88.3 | Confident | 80.6 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 179.2 | -169.4 | -50.5 | 0 | 0 | 0 | 111 | N389 S390 Q395 L396 | N389-N392 HydrophobicContact CB-CB 4.29Å; N389-N392 VanDerWaalsContact O-CB 3.31Å; N389-N392 WeakPolarHBondContact O-CB 3.18Å; N389-N392 PolarHBondContact O-N 3.44Å; S390-N392 VanDerWaalsContact C-N 3.32Å; S390-N392 PolarHBondContact O-N 3.34Å; N392-Q395 WeakPolarHBondContact O-CB 3.47Å; N392-Q395 PolarHBondContact O-N 3.39Å; N392-L396 WeakPolarHBondContact O-CG 3.4Å; N392-L396 PolarHBondContact O-N 3.24Å |
| 393 | Y | 90.7 | Very high | 81.6 | Confident | 56 Ų | 56 | 65.6 Ų | 65.6 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | 177.8 | -68.8 | -66.4 | 0 | 0 | 0 | 113 | I376 I380 I383 T388 S390 Q395 L396 L397 | I376-Y393 HydrophobicContact CG2-CD1 4.03Å; I380-Y393 HydrophobicContact CD1-CD1 4.28Å; I380-Y393 HydrophobicContact CD1-CG 3.94Å; I380-Y393 HydrophobicContact CG1-CD1 3.81Å; I380-Y393 HydrophobicContact CG1-CD2 3.95Å; I380-Y393 HydrophobicContact CG1-CE1 4.31Å; I380-Y393 HydrophobicContact CG1-CE2 4.43Å; I380-Y393 HydrophobicContact CG1-CG 3.61Å; I383-Y393 HydrophobicContact CD1-CE2 4.32Å; I383-Y393 WeakPolarHBondContact CD1-OH 3.23Å; T388-Y393 HydrophobicContact CG2-CD2 4.38Å; T388-Y393 HydrophobicContact CG2-CE2 4.21Å; S390-Y393 PolarHBondContact O-N 2.79Å; Y393-Q395 VanDerWaalsContact C-N 3.26Å; Y393-Q395 PolarHBondContact O-N 3.12Å; Y393-L396 HydrophobicContact CD1-CD1 4.39Å; Y393-L396 PolarHBondContact O-N 3.07Å; Y393-L397 WeakPolarHBondContact O-CG 3.38Å; Y393-L397 PolarHBondContact O-N 3.22Å |
| 394 | M | 92.7 | Very high | 82.9 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 173.5 | -77 | -174.3 | -86 | 0 | 0 | 111.6 | D235 M236 S390 L397 G398 F432 L448 K450 | D235-M394 WeakPolarHBondContact OD2-CE 3.42Å; M236-M394 HydrophobicContact CB-SD 4.31Å; S390-M394 WeakPolarHBondContact O-CE 3.21Å; S390-M394 PolarHBondContact O-N 2.76Å; M394-L397 PolarHBondContact O-N 3.09Å; M394-G398 PolarHBondContact O-N 3Å; M394-F432 HydrophobicContact CB-CD1 4.04Å; M394-F432 HydrophobicContact CB-CD2 3.91Å; M394-F432 HydrophobicContact CB-CE1 4.04Å; M394-F432 HydrophobicContact CB-CE2 3.9Å; M394-F432 HydrophobicContact CB-CG 3.98Å; M394-F432 HydrophobicContact CB-CZ 3.97Å; M394-F432 HydrophobicContact CE-CE2 4.43Å; M394-F432 HydrophobicContact CE-CZ 4.35Å; M394-F432 HydrophobicContact CG-CE2 4.41Å; M394-F432 HydrophobicContact SD-CD2 4.27Å; M394-F432 HydrophobicContact SD-CE2 3.68Å; M394-F432 HydrophobicContact SD-CZ 4.15Å; M394-L448 WeakPolarHBondContact O-CD2 3.28Å; M394-K450 HydrophobicContact CE-CD 4.48Å; M394-K450 HydrophobicContact CE-CG 4.31Å; M394-K450 HydrophobicContact SD-CB 4.41Å |
| 395 | Q | 95.9 | Very high | 84.7 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 174.1 | -171.3 | 62.1 | 55.2 | 0 | 0 | 111.6 | I391 N392 Y393 L397 G398 D399 F432 | I391-Q395 WeakPolarHBondContact O-CB 3.33Å; I391-Q395 PolarHBondContact O-N 2.95Å; N392-Q395 WeakPolarHBondContact O-CB 3.47Å; N392-Q395 PolarHBondContact O-N 3.39Å; Y393-Q395 VanDerWaalsContact C-N 3.26Å; Y393-Q395 PolarHBondContact O-N 3.12Å; Q395-L397 PolarHBondContact O-N 3.29Å; Q395-G398 PolarHBondContact O-N 3.22Å; Q395-D399 PolarHBondContact NE2-OD1 3.08Å; Q395-D399 PolarHBondContact O-N 2.71Å; Q395-F432 HydrophobicContact CB-CD1 4.35Å |
| 396 | L | 96.1 | Very high | 86.7 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 38% | 0.377 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 178.1 | -67.9 | 173.3 | 0 | 0 | 0 | 112.7 | I376 N392 Y393 L400 | I376-L396 HydrophobicContact CD1-CB 4.06Å; N392-L396 WeakPolarHBondContact O-CG 3.4Å; N392-L396 PolarHBondContact O-N 3.24Å; Y393-L396 HydrophobicContact CD1-CD1 4.39Å; Y393-L396 PolarHBondContact O-N 3.07Å; L396-L400 WeakPolarHBondContact O-CG 3.37Å; L396-L400 PolarHBondContact O-N 3.28Å |
| 397 | L | 96.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.8 | -66.3 | 176.5 | 0 | 0 | 0 | 111.1 | M236 F373 I376 I380 Y393 M394 Q395 D399 L400 M401 L448 | M236-L397 HydrophobicContact CE-CD1 4.48Å; M236-L397 HydrophobicContact SD-CD1 4.04Å; F373-L397 HydrophobicContact CB-CD2 4.48Å; F373-L397 HydrophobicContact CD1-CD2 3.72Å; F373-L397 HydrophobicContact CD2-CB 4.39Å; F373-L397 HydrophobicContact CD2-CD2 3.75Å; F373-L397 HydrophobicContact CE1-CD1 4.49Å; F373-L397 HydrophobicContact CE1-CD2 3.79Å; F373-L397 HydrophobicContact CE2-CB 3.82Å; F373-L397 HydrophobicContact CE2-CD2 3.8Å; F373-L397 HydrophobicContact CE2-CG 4.33Å; F373-L397 HydrophobicContact CG-CD2 3.72Å; F373-L397 HydrophobicContact CZ-CB 4.08Å; F373-L397 HydrophobicContact CZ-CD1 4.33Å; F373-L397 HydrophobicContact CZ-CD2 3.83Å; F373-L397 HydrophobicContact CZ-CG 4.29Å; I376-L397 HydrophobicContact CB-CD2 3.75Å; I376-L397 HydrophobicContact CD1-CD2 4.23Å; I376-L397 HydrophobicContact CG2-CD1 4.44Å; I376-L397 HydrophobicContact CG2-CD2 3.53Å; I376-L397 HydrophobicContact CG2-CG 3.83Å; I380-L397 HydrophobicContact CD1-CD1 4.41Å; Y393-L397 WeakPolarHBondContact O-CG 3.38Å; Y393-L397 PolarHBondContact O-N 3.22Å; M394-L397 PolarHBondContact O-N 3.09Å; Q395-L397 PolarHBondContact O-N 3.29Å; L397-D399 PolarHBondContact O-N 2.6Å; L397-L400 WeakPolarHBondContact O-CB 3.25Å; L397-L400 PolarHBondContact O-N 2.89Å; L397-M401 WeakPolarHBondContact O-CG 3.3Å; L397-M401 PolarHBondContact O-N 3.48Å; L397-M401 VanDerWaalsContact O-N 3.08Å; L397-L448 HydrophobicContact CB-CD2 3.78Å |
| 398 | G | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | M394 Q395 L400 M401 N402 F432 G433 | M394-G398 PolarHBondContact O-N 3Å; Q395-G398 PolarHBondContact O-N 3.22Å; G398-L400 VanDerWaalsContact C-N 3.33Å; G398-L400 PolarHBondContact O-N 3.29Å; G398-M401 WeakPolarHBondContact O-CB 3.25Å; G398-M401 PolarHBondContact O-N 3.06Å; G398-N402 PolarHBondContact O-N 2.96Å; G398-N402 PolarHBondContact O-ND2 2.87Å; G398-F432 CarbonylContact C-O 3.51Å; G398-F432 WeakPolarHBondContact CA-O 3.41Å; G398-G433 WeakPolarHBondContact O-CA 3.29Å |
| 399 | D | 98.6 | Very high | 93.2 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.1 | -69.1 | -18.4 | 0 | 0 | 0 | 111.6 | Q395 L397 N402 Q403 | Q395-D399 PolarHBondContact NE2-OD1 3.08Å; Q395-D399 PolarHBondContact O-N 2.71Å; L397-D399 PolarHBondContact O-N 2.6Å; D399-N402 PolarHBondContact O-N 3.17Å; D399-Q403 VanDerWaalsContact O-CG 3.24Å; D399-Q403 WeakPolarHBondContact O-CG 3.18Å; D399-Q403 PolarHBondContact O-N 3.14Å |
| 400 | L | 98.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 174.2 | -68.3 | 172.3 | 0 | 0 | 0 | 111.9 | I44 R369 K372 F373 I376 L396 L397 G398 N402 Q403 S404 | I44-L400 HydrophobicContact CD1-CB 3.92Å; R369-L400 HydrophobicContact CB-CD2 4.32Å; R369-L400 HydrophobicContact CG-CD2 4.01Å; K372-L400 HydrophobicContact CB-CD1 3.93Å; K372-L400 HydrophobicContact CB-CD2 4.21Å; K372-L400 HydrophobicContact CD-CD2 4.39Å; F373-L400 HydrophobicContact CB-CD1 3.96Å; F373-L400 HydrophobicContact CD2-CB 4.24Å; F373-L400 HydrophobicContact CD2-CD1 4.24Å; I376-L400 HydrophobicContact CD1-CD1 3.71Å; L396-L400 WeakPolarHBondContact O-CG 3.37Å; L396-L400 PolarHBondContact O-N 3.28Å; L397-L400 WeakPolarHBondContact O-CB 3.25Å; L397-L400 PolarHBondContact O-N 2.89Å; G398-L400 VanDerWaalsContact C-N 3.33Å; G398-L400 PolarHBondContact O-N 3.29Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 2.79Å; L400-Q403 PolarHBondContact O-N 3.45Å; L400-S404 WeakPolarHBondContact O-CB 3.48Å; L400-S404 PolarHBondContact O-N 3.2Å |
| 401 | M | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 174.2 | -66.5 | 173.6 | 69.3 | 0 | 0 | 111.5 | F238 F373 L397 G398 S404 Q405 R435 V446 L448 | F238-M401 HydrophobicContact CE1-CE 4.49Å; F238-M401 HydrophobicContact CE1-SD 4.46Å; F373-M401 HydrophobicContact CE2-CG 3.94Å; F373-M401 HydrophobicContact CE2-SD 4.32Å; L397-M401 WeakPolarHBondContact O-CG 3.3Å; L397-M401 PolarHBondContact O-N 3.48Å; L397-M401 VanDerWaalsContact O-N 3.08Å; G398-M401 WeakPolarHBondContact O-CB 3.25Å; G398-M401 PolarHBondContact O-N 3.06Å; M401-S404 WeakPolarHBondContact O-CB 3.41Å; M401-S404 PolarHBondContact O-N 3.11Å; M401-Q405 PolarHBondContact O-N 2.94Å; M401-R435 HydrophobicContact CB-CG 4.37Å; M401-R435 HydrophobicContact CE-CG 4.15Å; M401-V446 HydrophobicContact CE-CG1 4.07Å; M401-V446 HydrophobicContact CE-CG2 4.47Å; M401-V446 WeakPolarHBondContact CE-O 3.38Å; M401-L448 HydrophobicContact CE-CB 4.31Å; M401-L448 HydrophobicContact SD-CB 3.7Å; M401-L448 HydrophobicContact SD-CD2 4.39Å |
| 402 | N | 98.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -39.9 | 179.4 | -67.6 | -29.8 | 0 | 0 | 0 | 112.2 | G398 D399 L400 Q405 L406 R427 F432 G433 S434 | G398-N402 PolarHBondContact O-N 2.96Å; G398-N402 PolarHBondContact O-ND2 2.87Å; D399-N402 PolarHBondContact O-N 3.17Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 2.79Å; N402-Q405 PolarHBondContact O-N 3.5Å; N402-L406 PolarHBondContact O-N 2.92Å; N402-L406 VanDerWaalsContact O-N 3.09Å; N402-R427 PolarHBondContact OD1-NE 3.42Å; N402-R427 PolarHBondContact OD1-NH2 2.84Å; N402-F432 PolarHBondContact ND2-O 2.94Å; N402-F432 VanDerWaalsContact ND2-O 3.12Å; N402-G433 VanDerWaalsContact OD1-CA 3.23Å; N402-G433 WeakPolarHBondContact OD1-CA 3.46Å; N402-S434 PolarHBondContact OD1-N 3.37Å |
| 403 | Q | 98.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 36.8 Ų | 36.8 | 47% | 0.467 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.3 | -70.2 | 167 | 30.6 | 0 | 0 | 111.8 | D399 L400 L406 S407 | D399-Q403 VanDerWaalsContact O-CG 3.24Å; D399-Q403 WeakPolarHBondContact O-CG 3.18Å; D399-Q403 PolarHBondContact O-N 3.14Å; L400-Q403 PolarHBondContact O-N 3.45Å; Q403-L406 PolarHBondContact O-N 3.42Å; Q403-S407 PolarHBondContact O-N 3.08Å |
| 404 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 173.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | E366 L400 M401 L406 S407 C408 R435 | E366-S404 VanDerWaalsContact CD-OG 3.25Å; E366-S404 WeakPolarHBondContact OE1-CB 3.42Å; E366-S404 PolarHBondContact OE1-OG 3.36Å; E366-S404 WeakPolarHBondContact OE2-CA 3.36Å; E366-S404 VanDerWaalsContact OE2-CB 3.25Å; E366-S404 WeakPolarHBondContact OE2-CB 3.34Å; E366-S404 PolarHBondContact OE2-OG 3.39Å; E366-S404 VanDerWaalsContact OE2-OG 3.1Å; L400-S404 WeakPolarHBondContact O-CB 3.48Å; L400-S404 PolarHBondContact O-N 3.2Å; M401-S404 WeakPolarHBondContact O-CB 3.41Å; M401-S404 PolarHBondContact O-N 3.11Å; S404-L406 PolarHBondContact O-N 3.4Å; S404-S407 WeakPolarHBondContact O-CB 3.39Å; S404-S407 PolarHBondContact O-N 3.27Å; S404-C408 PolarHBondContact O-N 2.84Å; S404-C408 PolarHBondContact O-SG 2.9Å; S404-R435 PolarHBondContact OG-NE 3.33Å |
| 405 | Q | 98.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.9 | 176.8 | 58.1 | 22.4 | 0 | 0 | 112.6 | M401 N402 S407 C408 A409 S415 D420 I423 R435 | M401-Q405 PolarHBondContact O-N 2.94Å; N402-Q405 PolarHBondContact O-N 3.5Å; Q405-S407 PolarHBondContact O-N 3.19Å; Q405-C408 PolarHBondContact O-N 2.97Å; Q405-A409 WeakPolarHBondContact O-CB 3.5Å; Q405-A409 PolarHBondContact O-N 3.45Å; Q405-S415 PolarHBondContact NE2-OG 3.1Å; Q405-S415 VanDerWaalsContact NE2-OG 3.15Å; Q405-D420 PolarHBondContact NE2-OD1 3.23Å; Q405-D420 VanDerWaalsContact NE2-OD1 3.1Å; Q405-I423 HydrophobicContact CG-CD1 3.84Å; Q405-I423 HydrophobicContact CG-CG2 4.31Å; Q405-R435 HydrophobicContact CB-CB 3.78Å |
| 406 | L | 98.5 | Very high | 97.8 | Very high | 108 Ų | 108 | 32.2 Ų | 32.2 | 57% | 0.565 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -59.5 | -39.9 | 179.3 | -175 | 66.2 | 0 | 0 | 0 | 111 | N402 Q403 S404 N410 | N402-L406 PolarHBondContact O-N 2.92Å; N402-L406 VanDerWaalsContact O-N 3.09Å; Q403-L406 PolarHBondContact O-N 3.42Å; S404-L406 PolarHBondContact O-N 3.4Å; L406-N410 WeakPolarHBondContact CD1-ND2 3.35Å; L406-N410 WeakPolarHBondContact O-CB 3.28Å; L406-N410 PolarHBondContact O-N 3.1Å |
| 407 | S | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -43.9 | 175.7 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | H362 R369 Q403 S404 Q405 A409 L411 Y412 | H362-S407 PolarHBondContact ND1-OG 3.15Å; R369-S407 VanDerWaalsContact NH2-CB 3.31Å; R369-S407 PolarHBondContact NH2-OG 3.49Å; Q403-S407 PolarHBondContact O-N 3.08Å; S404-S407 WeakPolarHBondContact O-CB 3.39Å; S404-S407 PolarHBondContact O-N 3.27Å; Q405-S407 PolarHBondContact O-N 3.19Å; S407-A409 VanDerWaalsContact C-N 3.32Å; S407-A409 PolarHBondContact O-N 3.31Å; S407-L411 CarbonylContact O-C 3.45Å; S407-L411 WeakPolarHBondContact O-CA 3.26Å; S407-L411 WeakPolarHBondContact O-CB 3.32Å; S407-L411 PolarHBondContact O-N 3.34Å; S407-Y412 PolarHBondContact O-N 2.78Å |
| 408 | C | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 176 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | S404 Q405 Y412 Q413 C414 L436 | S404-C408 PolarHBondContact O-N 2.84Å; S404-C408 PolarHBondContact O-SG 2.9Å; Q405-C408 PolarHBondContact O-N 2.97Å; C408-Y412 CarbonylContact O-C 3.44Å; C408-Q413 PolarHBondContact O-N 2.97Å; C408-C414 PolarHBondContact O-N 2.99Å; C408-L436 HydrophobicContact CB-CD2 3.93Å; C408-L436 HydrophobicContact CB-CG 4.31Å |
| 409 | A | 98 | Very high | 97.6 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -52 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q405 S407 Q413 | Q405-A409 WeakPolarHBondContact O-CB 3.5Å; Q405-A409 PolarHBondContact O-N 3.45Å; S407-A409 VanDerWaalsContact C-N 3.32Å; S407-A409 PolarHBondContact O-N 3.31Å; A409-Q413 WeakPolarHBondContact O-CA 3.08Å; A409-Q413 PolarHBondContact O-N 3.32Å |
| 410 | N | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 41 Ų | 41 | 54% | 0.54 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -89.5 | -45.7 | -168.8 | -65.1 | -9.4 | 0 | 0 | 0 | 113.4 | L406 | L406-N410 WeakPolarHBondContact CD1-ND2 3.35Å; L406-N410 WeakPolarHBondContact O-CB 3.28Å; L406-N410 PolarHBondContact O-N 3.1Å |
| 411 | L | 97.8 | Very high | 97.5 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -31.8 | -174.6 | -62.8 | -177.6 | 0 | 0 | 0 | 112.5 | D358 R359 E361 H362 S407 | D358-L411 CarbonylContact C-O 3.58Å; D358-L411 HydrophobicContact CB-CB 4.47Å; D358-L411 HydrophobicContact CB-CD2 4.32Å; D358-L411 VanDerWaalsContact CB-O 3.26Å; D358-L411 WeakPolarHBondContact CB-O 3.46Å; R359-L411 PolarHBondContact NH1-O 3.01Å; E361-L411 HydrophobicContact CB-CD1 4.08Å; H362-L411 HydrophobicContact CB-CB 3.9Å; S407-L411 CarbonylContact O-C 3.45Å; S407-L411 WeakPolarHBondContact O-CA 3.26Å; S407-L411 WeakPolarHBondContact O-CB 3.32Å; S407-L411 PolarHBondContact O-N 3.34Å |
| 412 | Y | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -99.5 | -18.5 | 178.9 | -139.7 | -106.3 | 0 | 0 | 0 | 114.3 | H47 Y50 R258 C262 R359 H362 V363 S407 C408 C414 | H47-Y412 HydrophobicContact CB-CD1 3.97Å; H47-Y412 HydrophobicContact CB-CE1 3.33Å; H47-Y412 HydrophobicContact CB-CE2 4.23Å; H47-Y412 VanDerWaalsContact CB-CZ 3.46Å; H47-Y412 AromaticContact CD2-CD1 3.45Å; H47-Y412 VanDerWaalsContact CD2-CD1 3.45Å; H47-Y412 WeakPolarHBondContact CD2-CD1 3.33Å; H47-Y412 AromaticContact CD2-CE1 3.42Å; H47-Y412 VanDerWaalsContact CD2-CE1 3.42Å; H47-Y412 WeakPolarHBondContact CD2-CE1 3.47Å; H47-Y412 AromaticContact CE1-CE1 3.83Å; H47-Y412 AromaticContact CG-CD1 3.68Å; H47-Y412 AromaticContact CG-CE1 3.14Å; H47-Y412 AromaticContact CG-CZ 3.83Å; H47-Y412 AromaticContact ND1-CE1 3.42Å; H47-Y412 WeakPolarHBondContact ND1-CE1 3.47Å; H47-Y412 AromaticContact NE2-CD1 3.9Å; H47-Y412 AromaticContact NE2-CE1 3.85Å; Y50-Y412 PolarHBondContact OH-OH 2.92Å; R258-Y412 HydrophobicContact CB-CD1 4.47Å; R258-Y412 HydrophobicContact CB-CE1 3.49Å; R258-Y412 VanDerWaalsContact CB-CE1 3.49Å; R258-Y412 WeakPolarHBondContact CB-OH 3.42Å; R258-Y412 WeakPolarHBondContact CD-O 3.29Å; R258-Y412 HydrophobicContact CG-CD1 4.14Å; R258-Y412 HydrophobicContact CG-CE1 3.6Å; R258-Y412 PolarHBondContact NE-O 2.98Å; C262-Y412 PolarHBondContact SG-OH 2.96Å; C262-Y412 VanDerWaalsContact SG-OH 3.39Å; R359-Y412 HydrophobicContact CB-CE2 4.16Å; R359-Y412 HydrophobicContact CG-CE2 4.28Å; R359-Y412 PolarHBondContact NH1-O 2.86Å; H362-Y412 HydrophobicContact CB-CD2 3.69Å; H362-Y412 HydrophobicContact CB-CE2 4.47Å; H362-Y412 AromaticContact CD2-CD2 3.03Å; H362-Y412 WeakPolarHBondContact CD2-CD2 3.31Å; H362-Y412 AromaticContact CD2-CE2 3.5Å; H362-Y412 AromaticContact CD2-CG 3.58Å; H362-Y412 AromaticContact CG-CD2 3.39Å; H362-Y412 AromaticContact CG-CG 3.92Å; H362-Y412 AromaticContact NE2-CD2 3.8Å; H362-Y412 AromaticContact NE2-CG 3.88Å; V363-Y412 HydrophobicContact CG2-CE2 4.27Å; S407-Y412 PolarHBondContact O-N 2.78Å; C408-Y412 CarbonylContact O-C 3.44Å; Y412-C414 HydrophobicContact CD1-CB 4.11Å; Y412-C414 PolarHBondContact O-N 3.28Å |
| 413 | Q | 96.6 | Very high | 97.4 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | 50.9 | 45.6 | 179.7 | -60.8 | 171.2 | -33 | 0 | 0 | 112.1 | R258 C408 A409 W441 | R258-Q413 PolarHBondContact NH2-O 3.05Å; C408-Q413 PolarHBondContact O-N 2.97Å; A409-Q413 WeakPolarHBondContact O-CA 3.08Å; A409-Q413 PolarHBondContact O-N 3.32Å; Q413-W441 PolarHBondContact O-NE1 3.16Å | ||
| 414 | C | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -117.3 | 12 | 176.8 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | C408 Y412 G440 W441 | C408-C414 PolarHBondContact O-N 2.99Å; Y412-C414 HydrophobicContact CD1-CB 4.11Å; Y412-C414 PolarHBondContact O-N 3.28Å; C414-G440 CarbonylContact O-C 3.55Å; C414-G440 WeakPolarHBondContact O-CA 3.37Å; C414-W441 HydrophobicContact CB-CD2 4.38Å; C414-W441 HydrophobicContact CB-CH2 3.97Å; C414-W441 HydrophobicContact CB-CZ2 3.75Å; C414-W441 HydrophobicContact CB-CZ3 4.37Å; C414-W441 PolarHBondContact O-N 2.89Å | ||
| 415 | S | 96.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 42.7 Ų | 42.7 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | trans | -89.2 | 175 | 167.3 | -154.6 | 0 | 0 | 0 | 0 | 111.5 | Q405 D420 | Q405-S415 PolarHBondContact NE2-OG 3.1Å; Q405-S415 VanDerWaalsContact NE2-OG 3.15Å; S415-D420 WeakPolarHBondContact CB-OD1 3.06Å; S415-D420 PolarHBondContact OG-OD1 3.29Å | ||
| 416 | C | 95.3 | Very high | 97.4 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | trans | -142.1 | 167.8 | 168.5 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | E418 L419 D420 | C416-E418 VanDerWaalsContact C-N 3.27Å; C416-E418 PolarHBondContact O-N 3.35Å; C416-L419 PolarHBondContact O-N 2.76Å; C416-L419 PolarHBondContact SG-N 3.13Å; C416-D420 PolarHBondContact O-N 2.57Å | ||
| 417 | R | 96.5 | Very high | 97.3 | Very high | 194 Ų | 194 | 41.7 Ų | 41.7 | 73% | 0.732 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.9 | -41.9 | -177.3 | -175.8 | -174.1 | 68.5 | 129.9 | 2.5 | 112.3 | D420 K421 | R417-D420 PolarHBondContact O-N 2.93Å; R417-K421 WeakPolarHBondContact O-CB 3.44Å; R417-K421 PolarHBondContact O-N 3.43Å |
| 418 | E | 95.2 | Very high | 97.3 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.2 | -41.6 | -177.7 | -65.7 | 73.3 | -156.5 | 0 | 0 | 111.5 | V245 C416 K421 L422 | V245-E418 HydrophobicContact CG2-CB 3.64Å; V245-E418 HydrophobicContact CG2-CG 3.48Å; V245-E418 VanDerWaalsContact CG2-CG 3.48Å; C416-E418 VanDerWaalsContact C-N 3.27Å; C416-E418 PolarHBondContact O-N 3.35Å; E418-K421 PolarHBondContact O-N 3.21Å; E418-L422 WeakPolarHBondContact O-CB 3.35Å; E418-L422 PolarHBondContact O-N 3.27Å |
| 419 | L | 96 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 171.2 | -80.9 | 170.8 | 0 | 0 | 0 | 111.3 | C416 K421 L422 I423 L436 G442 T445 | C416-L419 PolarHBondContact O-N 2.76Å; C416-L419 PolarHBondContact SG-N 3.13Å; L419-K421 VanDerWaalsContact C-N 3.28Å; L419-K421 PolarHBondContact O-N 3.06Å; L419-L422 PolarHBondContact O-N 2.98Å; L419-I423 WeakPolarHBondContact O-CB 3.44Å; L419-I423 WeakPolarHBondContact O-CD1 3.03Å; L419-I423 WeakPolarHBondContact O-CG1 3.46Å; L419-I423 PolarHBondContact O-N 2.67Å; L419-L436 HydrophobicContact CD1-CB 3.93Å; L419-L436 HydrophobicContact CD1-CD2 4.25Å; L419-L436 HydrophobicContact CD2-CB 4.14Å; L419-G442 WeakPolarHBondContact CD1-O 3.41Å; L419-T445 HydrophobicContact CD2-CG2 3.78Å |
| 420 | D | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -38.2 | -178.5 | -68.2 | -27.7 | 0 | 0 | 0 | 111.4 | Q405 S415 C416 R417 S424 | Q405-D420 PolarHBondContact NE2-OD1 3.23Å; Q405-D420 VanDerWaalsContact NE2-OD1 3.1Å; S415-D420 WeakPolarHBondContact CB-OD1 3.06Å; S415-D420 PolarHBondContact OG-OD1 3.29Å; C416-D420 PolarHBondContact O-N 2.57Å; R417-D420 PolarHBondContact O-N 2.93Å; D420-S424 WeakPolarHBondContact O-CB 3.5Å; D420-S424 PolarHBondContact O-N 2.78Å |
| 421 | K | 97 | Very high | 97.3 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.5 | -48.3 | 173.9 | 179.6 | 59.2 | 179.4 | 175.7 | 0 | 111.7 | R417 E418 L419 I423 S424 V425 F465 | R417-K421 WeakPolarHBondContact O-CB 3.44Å; R417-K421 PolarHBondContact O-N 3.43Å; E418-K421 PolarHBondContact O-N 3.21Å; L419-K421 VanDerWaalsContact C-N 3.28Å; L419-K421 PolarHBondContact O-N 3.06Å; K421-I423 VanDerWaalsContact C-N 3.33Å; K421-I423 PolarHBondContact O-N 3.28Å; K421-S424 WeakPolarHBondContact O-CB 3.42Å; K421-S424 PolarHBondContact O-N 3.35Å; K421-V425 WeakPolarHBondContact O-CG2 3.29Å; K421-V425 PolarHBondContact O-N 3.09Å; K421-F465 HydrophobicContact CB-CE2 4.21Å; K421-F465 HydrophobicContact CG-CD2 4.08Å; K421-F465 HydrophobicContact CG-CE2 3.91Å |
| 422 | L | 97 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.8 | 177.6 | 54.3 | 0 | 0 | 0 | 111.4 | A241 E418 L419 S424 V425 C426 T445 V461 F465 | A241-L422 HydrophobicContact CB-CD1 4.21Å; A241-L422 HydrophobicContact CB-CD2 3.95Å; A241-L422 HydrophobicContact CB-CG 4.47Å; A241-L422 WeakPolarHBondContact O-CD2 3.25Å; E418-L422 WeakPolarHBondContact O-CB 3.35Å; E418-L422 PolarHBondContact O-N 3.27Å; L419-L422 PolarHBondContact O-N 2.98Å; L422-S424 VanDerWaalsContact C-N 3.34Å; L422-S424 PolarHBondContact O-N 3.34Å; L422-V425 PolarHBondContact O-N 3Å; L422-V425 VanDerWaalsContact O-N 3.15Å; L422-C426 PolarHBondContact O-N 3.3Å; L422-C426 PolarHBondContact O-SG 3.25Å; L422-C426 VanDerWaalsContact O-SG 3.36Å; L422-T445 HydrophobicContact CB-CG2 4.28Å; L422-T445 HydrophobicContact CD2-CG2 3.7Å; L422-T445 HydrophobicContact CG-CG2 3.86Å; L422-V461 HydrophobicContact CD1-CG1 3.86Å; L422-F465 HydrophobicContact CB-CD2 4.05Å; L422-F465 HydrophobicContact CB-CE1 4.23Å; L422-F465 HydrophobicContact CB-CE2 3.65Å; L422-F465 HydrophobicContact CB-CZ 3.76Å; L422-F465 HydrophobicContact CD1-CB 4.27Å; L422-F465 HydrophobicContact CD1-CD1 3.75Å; L422-F465 HydrophobicContact CD1-CD2 4.14Å; L422-F465 HydrophobicContact CD1-CE1 4.07Å; L422-F465 HydrophobicContact CD1-CE2 4.45Å; L422-F465 HydrophobicContact CD1-CG 3.79Å; L422-F465 HydrophobicContact CD1-CZ 4.41Å; L422-F465 HydrophobicContact CD2-CE1 4.28Å; L422-F465 HydrophobicContact CD2-CZ 4.47Å; L422-F465 HydrophobicContact CG-CE1 4.42Å; L422-F465 HydrophobicContact CG-CZ 4.43Å |
| 423 | I | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.7 | -70 | 165.9 | 0 | 0 | 0 | 111.1 | Q405 L419 K421 V425 C426 R427 S434 T445 | Q405-I423 HydrophobicContact CG-CD1 3.84Å; Q405-I423 HydrophobicContact CG-CG2 4.31Å; L419-I423 WeakPolarHBondContact O-CB 3.44Å; L419-I423 WeakPolarHBondContact O-CD1 3.03Å; L419-I423 WeakPolarHBondContact O-CG1 3.46Å; L419-I423 PolarHBondContact O-N 2.67Å; K421-I423 VanDerWaalsContact C-N 3.33Å; K421-I423 PolarHBondContact O-N 3.28Å; I423-V425 VanDerWaalsContact C-N 3.31Å; I423-V425 PolarHBondContact O-N 3.31Å; I423-C426 PolarHBondContact O-N 3.42Å; I423-R427 WeakPolarHBondContact O-CG 3.47Å; I423-R427 PolarHBondContact O-N 2.97Å; I423-S434 WeakPolarHBondContact CG2-O 3.29Å; I423-T445 HydrophobicContact CD1-CG2 4.12Å; I423-T445 HydrophobicContact CG1-CG2 3.5Å |
| 424 | S | 98.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 43% | 0.427 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.6 | -175 | 0 | 0 | 0 | 0 | 111.3 | D420 K421 L422 R427 S428 | D420-S424 WeakPolarHBondContact O-CB 3.5Å; D420-S424 PolarHBondContact O-N 2.78Å; K421-S424 WeakPolarHBondContact O-CB 3.42Å; K421-S424 PolarHBondContact O-N 3.35Å; L422-S424 VanDerWaalsContact C-N 3.34Å; L422-S424 PolarHBondContact O-N 3.34Å; S424-R427 PolarHBondContact O-N 3.34Å; S424-S428 WeakPolarHBondContact O-CB 3.34Å; S424-S428 PolarHBondContact O-N 3.03Å; S424-S428 PolarHBondContact O-OG 3.22Å |
| 425 | V | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K421 L422 I423 R427 S428 A429 V461 E464 F465 | K421-V425 WeakPolarHBondContact O-CG2 3.29Å; K421-V425 PolarHBondContact O-N 3.09Å; L422-V425 PolarHBondContact O-N 3Å; L422-V425 VanDerWaalsContact O-N 3.15Å; I423-V425 VanDerWaalsContact C-N 3.31Å; I423-V425 PolarHBondContact O-N 3.31Å; V425-R427 VanDerWaalsContact C-N 3.33Å; V425-R427 PolarHBondContact O-N 3.4Å; V425-S428 CarbonylContact O-C 3.55Å; V425-S428 PolarHBondContact O-N 2.82Å; V425-A429 VanDerWaalsContact O-CB 3.28Å; V425-A429 WeakPolarHBondContact O-CB 3.42Å; V425-A429 PolarHBondContact O-N 2.94Å; V425-V461 HydrophobicContact CG1-CB 4.47Å; V425-V461 HydrophobicContact CG1-CG1 4.4Å; V425-V461 HydrophobicContact CG1-CG2 4.32Å; V425-E464 HydrophobicContact CG1-CB 3.67Å; V425-E464 HydrophobicContact CG2-CB 4.35Å; V425-F465 HydrophobicContact CB-CB 4.45Å; V425-F465 HydrophobicContact CG1-CB 4.14Å; V425-F465 HydrophobicContact CG2-CB 4.35Å; V425-F465 HydrophobicContact CG2-CD2 4.43Å |
| 426 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.4 | -45.3 | 176.5 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | L422 I423 A429 G430 A431 S434 S447 F457 | L422-C426 PolarHBondContact O-N 3.3Å; L422-C426 PolarHBondContact O-SG 3.25Å; L422-C426 VanDerWaalsContact O-SG 3.36Å; I423-C426 PolarHBondContact O-N 3.42Å; C426-A429 PolarHBondContact O-N 3.1Å; C426-G430 PolarHBondContact O-N 3.2Å; C426-A431 WeakPolarHBondContact O-CB 3.36Å; C426-A431 PolarHBondContact O-N 3.1Å; C426-A431 VanDerWaalsContact O-N 3.13Å; C426-S434 WeakPolarHBondContact CB-OG 3.49Å; C426-S447 WeakPolarHBondContact CB-OG 3.41Å; C426-F457 HydrophobicContact CB-CE2 4.17Å; C426-F457 HydrophobicContact CB-CZ 3.79Å; C426-F457 VanDerWaalsContact O-CE2 3.22Å; C426-F457 WeakPolarHBondContact O-CE2 3.34Å |
| 427 | R | 98.2 | Very high | 97.6 | Very high | 93 Ų | 93 | 36.8 Ų | 36.8 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64 | -45.7 | 177.4 | -68.1 | 172.3 | -173.8 | 177.6 | 2.7 | 111.6 | N402 I423 S424 V425 A429 G430 S434 | N402-R427 PolarHBondContact OD1-NE 3.42Å; N402-R427 PolarHBondContact OD1-NH2 2.84Å; I423-R427 WeakPolarHBondContact O-CG 3.47Å; I423-R427 PolarHBondContact O-N 2.97Å; S424-R427 PolarHBondContact O-N 3.34Å; V425-R427 VanDerWaalsContact C-N 3.33Å; V425-R427 PolarHBondContact O-N 3.4Å; R427-A429 PolarHBondContact O-N 2.94Å; R427-G430 PolarHBondContact O-N 3.4Å; R427-S434 PolarHBondContact NE-O 3.08Å; R427-S434 PolarHBondContact NH2-O 3.16Å |
| 428 | S | 97.9 | Very high | 97.4 | Very high | 74 Ų | 74 | 27.7 Ų | 27.7 | 52% | 0.517 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.7 | -25.8 | 174.4 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | S424 V425 G430 K460 | S424-S428 WeakPolarHBondContact O-CB 3.34Å; S424-S428 PolarHBondContact O-N 3.03Å; S424-S428 PolarHBondContact O-OG 3.22Å; V425-S428 CarbonylContact O-C 3.55Å; V425-S428 PolarHBondContact O-N 2.82Å; S428-G430 VanDerWaalsContact C-N 3.3Å; S428-K460 PolarHBondContact O-NZ 3.14Å |
| 429 | A | 98.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 13% | 0.132 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V425 C426 R427 F457 K460 V461 | V425-A429 VanDerWaalsContact O-CB 3.28Å; V425-A429 WeakPolarHBondContact O-CB 3.42Å; V425-A429 PolarHBondContact O-N 2.94Å; C426-A429 PolarHBondContact O-N 3.1Å; R427-A429 PolarHBondContact O-N 2.94Å; A429-F457 HydrophobicContact CB-CD2 3.82Å; A429-F457 HydrophobicContact CB-CE2 3.93Å; A429-K460 HydrophobicContact CB-CB 4.09Å; A429-K460 HydrophobicContact CB-CD 3.95Å; A429-K460 HydrophobicContact CB-CG 3.91Å; A429-V461 HydrophobicContact CB-CG2 3.88Å |
| 430 | G | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 26 Ų | 26 | 46% | 0.464 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | 17.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C426 R427 S428 | C426-G430 PolarHBondContact O-N 3.2Å; R427-G430 PolarHBondContact O-N 3.4Å; S428-G430 VanDerWaalsContact C-N 3.3Å |
| 431 | A | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 25 Ų | 25 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | trans | -66 | 135.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | C426 G433 L448 V449 F457 | C426-A431 WeakPolarHBondContact O-CB 3.36Å; C426-A431 PolarHBondContact O-N 3.1Å; C426-A431 VanDerWaalsContact O-N 3.13Å; A431-G433 VanDerWaalsContact C-N 3.27Å; A431-G433 PolarHBondContact O-N 3.36Å; A431-L448 CarbonylContact C-O 3.49Å; A431-L448 WeakPolarHBondContact CA-O 3.38Å; A431-V449 HydrophobicContact CB-CG2 4.32Å; A431-F457 HydrophobicContact CB-CE2 3.64Å; A431-F457 HydrophobicContact CB-CZ 4.21Å | ||
| 432 | F | 97.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 19.7 Ų | 19.7 | 15% | 0.145 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -65 | -37.4 | 171.2 | -66.2 | -84.2 | 0 | 0 | 0 | 111 | I391 M394 Q395 G398 N402 L448 K450 | I391-F432 HydrophobicContact CG2-CE1 4.28Å; M394-F432 HydrophobicContact CB-CD1 4.04Å; M394-F432 HydrophobicContact CB-CD2 3.91Å; M394-F432 HydrophobicContact CB-CE1 4.04Å; M394-F432 HydrophobicContact CB-CE2 3.9Å; M394-F432 HydrophobicContact CB-CG 3.98Å; M394-F432 HydrophobicContact CB-CZ 3.97Å; M394-F432 HydrophobicContact CE-CE2 4.43Å; M394-F432 HydrophobicContact CE-CZ 4.35Å; M394-F432 HydrophobicContact CG-CE2 4.41Å; M394-F432 HydrophobicContact SD-CD2 4.27Å; M394-F432 HydrophobicContact SD-CE2 3.68Å; M394-F432 HydrophobicContact SD-CZ 4.15Å; Q395-F432 HydrophobicContact CB-CD1 4.35Å; G398-F432 CarbonylContact C-O 3.51Å; G398-F432 WeakPolarHBondContact CA-O 3.41Å; N402-F432 PolarHBondContact ND2-O 2.94Å; N402-F432 VanDerWaalsContact ND2-O 3.12Å; F432-L448 HydrophobicContact CB-CD2 4.23Å; F432-L448 HydrophobicContact CB-CG 4.14Å; F432-L448 HydrophobicContact CD2-CG 4.25Å; F432-L448 PolarHBondContact N-O 3.22Å; F432-K450 HydrophobicContact CE2-CB 4.07Å |
| 433 | G | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 148 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G398 N402 A431 S447 L448 | G398-G433 WeakPolarHBondContact O-CA 3.29Å; N402-G433 VanDerWaalsContact OD1-CA 3.23Å; N402-G433 WeakPolarHBondContact OD1-CA 3.46Å; A431-G433 VanDerWaalsContact C-N 3.27Å; A431-G433 PolarHBondContact O-N 3.36Å; G433-S447 CarbonylContact O-C 3.54Å; G433-S447 WeakPolarHBondContact O-CA 3.49Å; G433-L448 PolarHBondContact O-N 3.24Å |
| 434 | S | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.8 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | N402 I423 C426 R427 V446 S447 | N402-S434 PolarHBondContact OD1-N 3.37Å; I423-S434 WeakPolarHBondContact CG2-O 3.29Å; C426-S434 WeakPolarHBondContact CB-OG 3.49Å; R427-S434 PolarHBondContact NE-O 3.08Å; R427-S434 PolarHBondContact NH2-O 3.16Å; S434-V446 WeakPolarHBondContact CA-O 3.47Å; S434-S447 WeakPolarHBondContact CB-OG 3.36Å; S434-S447 PolarHBondContact OG-OG 3.23Å |
| 435 | R | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 160 | -178 | 61.8 | 176.6 | -64.4 | -72.6 | -19.3 | 111 | N42 L43 E46 M401 S404 Q405 T445 V446 | N42-R435 PolarHBondContact O-NH1 3.35Å; L43-R435 WeakPolarHBondContact O-CD 3.13Å; E46-R435 VanDerWaalsContact CB-NH2 3.32Å; E46-R435 IonicContact OE2-CZ 2.71Å; E46-R435 IonicContact OE2-NH1 3.34Å; E46-R435 PolarHBondContact OE2-NH1 3.36Å; E46-R435 IonicContact OE2-NH2 2.6Å; E46-R435 PolarHBondContact OE2-NH2 3.1Å; M401-R435 HydrophobicContact CB-CG 4.37Å; M401-R435 HydrophobicContact CE-CG 4.15Å; S404-R435 PolarHBondContact OG-NE 3.33Å; Q405-R435 HydrophobicContact CB-CB 3.78Å; R435-T445 CarbonylContact O-C 3.59Å; R435-T445 WeakPolarHBondContact O-CA 3.17Å; R435-T445 WeakPolarHBondContact O-CB 3.24Å; R435-V446 HydrophobicContact CG-CG1 3.77Å; R435-V446 PolarHBondContact N-O 3.44Å; R435-V446 VanDerWaalsContact N-O 3.16Å; R435-V446 PolarHBondContact O-N 3.11Å |
| 436 | L | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 158.7 | 167 | 68 | 83.2 | 0 | 0 | 0 | 110.7 | E46 C408 L419 | E46-L436 HydrophobicContact CG-CD1 4.14Å; C408-L436 HydrophobicContact CB-CD2 3.93Å; C408-L436 HydrophobicContact CB-CG 4.31Å; L419-L436 HydrophobicContact CD1-CB 3.93Å; L419-L436 HydrophobicContact CD1-CD2 4.25Å; L419-L436 HydrophobicContact CD2-CB 4.14Å |
| 437 | T | 95.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -138.9 | 139.5 | 172.9 | -163 | 0 | 0 | 0 | 0 | 110.8 | V41 N42 E46 L157 C444 | V41-T437 HydrophobicContact CG2-CG2 3.86Å; N42-T437 PolarHBondContact N-OG1 3.05Å; N42-T437 PolarHBondContact O-OG1 3.32Å; N42-T437 VanDerWaalsContact O-OG1 3.07Å; E46-T437 WeakPolarHBondContact OE2-CA 3.37Å; L157-T437 HydrophobicContact CD2-CG2 4.28Å; T437-C444 HydrophobicContact CG2-CB 3.99Å; T437-C444 PolarHBondContact N-O 3.04Å | ||
| 438 | G | 92.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 95.6 | -154.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E46 G440 | E46-G438 VanDerWaalsContact OE1-O 3.09Å; E46-G438 PolarHBondContact OE2-N 3.1Å; E46-G438 VanDerWaalsContact OE2-N 3.09Å; G438-G440 PolarHBondContact O-N 3.45Å; G438-G440 VanDerWaalsContact O-N 3.16Å |
| 439 | A | 90 | Very high | 96.2 | Very high | 15 Ų | 15 | 8.7 Ų | 8.7 | 12% | 0.124 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -64.1 | -21.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H47 K249 Y255 W441 | H47-A439 PolarHBondContact CE1-O 3.39Å; H47-A439 PolarHBondContact NE2-O 3.03Å; H47-A439 VanDerWaalsContact NE2-O 3.13Å; K249-A439 HydrophobicContact CB-CB 4.14Å; K249-A439 HydrophobicContact CD-CB 4.41Å; K249-A439 HydrophobicContact CG-CB 3.78Å; Y255-A439 HydrophobicContact CD2-CB 4.05Å; Y255-A439 HydrophobicContact CE2-CB 4.49Å; A439-W441 WeakPolarHBondContact O-CZ3 3.48Å |
| 440 | G | 93.4 | Very high | 96 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 89.7 | -173.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | C414 G438 G442 | C414-G440 CarbonylContact O-C 3.55Å; C414-G440 WeakPolarHBondContact O-CA 3.37Å; G438-G440 PolarHBondContact O-N 3.45Å; G438-G440 VanDerWaalsContact O-N 3.16Å; G440-G442 PolarHBondContact O-N 3.47Å; G440-G442 VanDerWaalsContact O-N 3.1Å |
| 441 | W | 94.9 | Very high | 95.9 | Very high | 49 Ų | 49 | 14.3 Ų | 14.3 | 19% | 0.186 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 59 | 13.3 | -176.5 | -52.7 | -79.5 | 0 | 0 | 0 | 115.4 | Y254 R258 Q413 C414 A439 | Y254-W441 HydrophobicContact CD2-CD2 4.09Å; Y254-W441 HydrophobicContact CD2-CG 4.1Å; R258-W441 HydrophobicContact CG-CH2 3.88Å; R258-W441 HydrophobicContact CG-CZ2 4.12Å; Q413-W441 PolarHBondContact O-NE1 3.16Å; C414-W441 HydrophobicContact CB-CD2 4.38Å; C414-W441 HydrophobicContact CB-CH2 3.97Å; C414-W441 HydrophobicContact CB-CZ2 3.75Å; C414-W441 HydrophobicContact CB-CZ3 4.37Å; C414-W441 PolarHBondContact O-N 2.89Å; A439-W441 WeakPolarHBondContact O-CZ3 3.48Å |
| 442 | G | 92.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 155.4 | -165.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V245 L419 G440 | V245-G442 CarbonylContact O-C 3.6Å; V245-G442 WeakPolarHBondContact O-CA 3.43Å; L419-G442 WeakPolarHBondContact CD1-O 3.41Å; G440-G442 PolarHBondContact O-N 3.47Å; G440-G442 VanDerWaalsContact O-N 3.1Å |
| 443 | G | 92.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 82.1 | -145.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A155 S243 V245 | A155-G443 CarbonylContact O-C 3.56Å; A155-G443 VanDerWaalsContact O-CA 3.31Å; A155-G443 WeakPolarHBondContact O-CA 3.35Å; S243-G443 VanDerWaalsContact CB-O 3.31Å; S243-G443 WeakPolarHBondContact CB-O 3.37Å; S243-G443 PolarHBondContact N-O 3.34Å; S243-G443 PolarHBondContact OG-N 3.3Å; S243-G443 PolarHBondContact OG-O 3.4Å; V245-G443 PolarHBondContact O-N 3.2Å |
| 444 | C | 95 | Very high | 95.6 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 159.9 | -170.8 | -71.4 | 0 | 0 | 0 | 0 | 114.5 | A155 L157 I240 A241 T437 | A155-C444 WeakPolarHBondContact O-CB 3.45Å; A155-C444 PolarHBondContact O-N 3.46Å; A155-C444 PolarHBondContact O-SG 3.08Å; L157-C444 HydrophobicContact CD2-CB 3.89Å; L157-C444 HydrophobicContact CG-CB 4.47Å; I240-C444 HydrophobicContact CG2-CB 3.86Å; A241-C444 CarbonylContact O-C 3.48Å; A241-C444 VanDerWaalsContact O-CA 3.26Å; A241-C444 WeakPolarHBondContact O-CA 3.47Å; T437-C444 HydrophobicContact CG2-CB 3.99Å; T437-C444 PolarHBondContact N-O 3.04Å |
| 445 | T | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 157.3 | 161.7 | 66.4 | 0 | 0 | 0 | 0 | 109.6 | I240 A241 L419 L422 I423 R435 | I240-T445 WeakPolarHBondContact CA-O 3.19Å; A241-T445 PolarHBondContact N-O 3.42Å; A241-T445 PolarHBondContact O-N 3.47Å; A241-T445 PolarHBondContact O-OG1 3.23Å; L419-T445 HydrophobicContact CD2-CG2 3.78Å; L422-T445 HydrophobicContact CB-CG2 4.28Å; L422-T445 HydrophobicContact CD2-CG2 3.7Å; L422-T445 HydrophobicContact CG-CG2 3.86Å; I423-T445 HydrophobicContact CD1-CG2 4.12Å; I423-T445 HydrophobicContact CG1-CG2 3.5Å; R435-T445 CarbonylContact O-C 3.59Å; R435-T445 WeakPolarHBondContact O-CA 3.17Å; R435-T445 WeakPolarHBondContact O-CB 3.24Å |
| 446 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.4 | 167.5 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | V41 L43 F238 M401 S434 R435 | V41-V446 HydrophobicContact CG2-CB 3.58Å; V41-V446 HydrophobicContact CG2-CG1 4.15Å; V41-V446 HydrophobicContact CG2-CG2 3.67Å; L43-V446 HydrophobicContact CD2-CG2 4.17Å; F238-V446 HydrophobicContact CB-CG2 4.06Å; F238-V446 HydrophobicContact CD1-CG2 3.65Å; F238-V446 HydrophobicContact CE1-CG2 4.4Å; F238-V446 HydrophobicContact CG-CG2 4.13Å; M401-V446 HydrophobicContact CE-CG1 4.07Å; M401-V446 HydrophobicContact CE-CG2 4.47Å; M401-V446 WeakPolarHBondContact CE-O 3.38Å; S434-V446 WeakPolarHBondContact CA-O 3.47Å; R435-V446 HydrophobicContact CG-CG1 3.77Å; R435-V446 PolarHBondContact N-O 3.44Å; R435-V446 VanDerWaalsContact N-O 3.16Å; R435-V446 PolarHBondContact O-N 3.11Å |
| 447 | S | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127 | -175.4 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | F238 V239 C426 G433 S434 | F238-S447 CarbonylContact C-O 3.55Å; F238-S447 WeakPolarHBondContact CA-O 3.28Å; V239-S447 PolarHBondContact N-O 3.32Å; V239-S447 PolarHBondContact O-N 3.13Å; C426-S447 WeakPolarHBondContact CB-OG 3.41Å; G433-S447 CarbonylContact O-C 3.54Å; G433-S447 WeakPolarHBondContact O-CA 3.49Å; S434-S447 WeakPolarHBondContact CB-OG 3.36Å; S434-S447 PolarHBondContact OG-OG 3.23Å |
| 448 | L | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.9 | 173.8 | 169.9 | 53.9 | 0 | 0 | 0 | 109.9 | M236 F238 M394 L397 M401 A431 F432 G433 | M236-L448 HydrophobicContact CB-CD1 4.08Å; M236-L448 HydrophobicContact CE-CD1 3.72Å; M236-L448 HydrophobicContact CE-CD2 4.5Å; M236-L448 HydrophobicContact CG-CD1 3.32Å; M236-L448 HydrophobicContact SD-CD1 3.45Å; M236-L448 WeakPolarHBondContact SD-CD1 3.26Å; M236-L448 HydrophobicContact SD-CD2 4.33Å; F238-L448 HydrophobicContact CE1-CB 4.37Å; M394-L448 WeakPolarHBondContact O-CD2 3.28Å; L397-L448 HydrophobicContact CB-CD2 3.78Å; M401-L448 HydrophobicContact CE-CB 4.31Å; M401-L448 HydrophobicContact SD-CB 3.7Å; M401-L448 HydrophobicContact SD-CD2 4.39Å; A431-L448 CarbonylContact C-O 3.49Å; A431-L448 WeakPolarHBondContact CA-O 3.38Å; F432-L448 HydrophobicContact CB-CD2 4.23Å; F432-L448 HydrophobicContact CB-CG 4.14Å; F432-L448 HydrophobicContact CD2-CG 4.25Å; F432-L448 PolarHBondContact N-O 3.22Å; G433-L448 PolarHBondContact O-N 3.24Å |
| 449 | V | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147 | -177.8 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | V237 V239 A431 N453 F457 | V237-V449 HydrophobicContact CG2-CB 4.38Å; V237-V449 WeakPolarHBondContact CG2-O 3.18Å; V237-V449 PolarHBondContact N-O 2.91Å; V237-V449 PolarHBondContact O-N 2.95Å; V237-V449 VanDerWaalsContact O-O 3.13Å; V239-V449 HydrophobicContact CB-CG2 4.46Å; V239-V449 HydrophobicContact CG2-CB 4.31Å; V239-V449 HydrophobicContact CG2-CG2 3.87Å; A431-V449 HydrophobicContact CB-CG2 4.32Å; V449-N453 HydrophobicContact CG1-CB 4.26Å; V449-F457 HydrophobicContact CG1-CB 3.95Å; V449-F457 HydrophobicContact CG1-CD2 4.27Å; V449-F457 HydrophobicContact CG1-CG 4.07Å; V449-F457 HydrophobicContact CG2-CD1 3.93Å; V449-F457 HydrophobicContact CG2-CD2 3.76Å; V449-F457 HydrophobicContact CG2-CE1 4Å; V449-F457 HydrophobicContact CG2-CE2 3.8Å; V449-F457 HydrophobicContact CG2-CG 3.81Å; V449-F457 HydrophobicContact CG2-CZ 3.93Å |
| 450 | K | 94.9 | Very high | 96 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 27% | 0.265 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 133 | 169.1 | -169.6 | 173.9 | -177.1 | 175.7 | 0 | 109.4 | D235 M394 F432 S452 N453 A454 | D235-K450 CarbonylContact O-C 3.49Å; M394-K450 HydrophobicContact CE-CD 4.48Å; M394-K450 HydrophobicContact CE-CG 4.31Å; M394-K450 HydrophobicContact SD-CB 4.41Å; F432-K450 HydrophobicContact CE2-CB 4.07Å; K450-S452 WeakPolarHBondContact CD-OG 3.38Å; K450-S452 PolarHBondContact O-N 3.38Å; K450-S452 VanDerWaalsContact O-N 3.12Å; K450-N453 HydrophobicContact CB-CB 4.49Å; K450-N453 PolarHBondContact O-N 2.99Å; K450-A454 PolarHBondContact O-N 3.15Å |
| 451 | K | 93.9 | Very high | 96.1 | Very high | 118 Ų | 118 | 41.4 Ų | 41.4 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -49.9 | -42.1 | -178 | -173.1 | 174.2 | -179.6 | 177.9 | 0 | 113.2 | D235 V237 N453 A454 | D235-K451 WeakPolarHBondContact O-CB 3.49Å; D235-K451 PolarHBondContact O-N 3.37Å; V237-K451 HydrophobicContact CG1-CB 3.95Å; V237-K451 HydrophobicContact CG1-CD 4.37Å; V237-K451 HydrophobicContact CG1-CG 3.9Å; K451-N453 PolarHBondContact O-N 3.46Å; K451-A454 WeakPolarHBondContact O-CB 3.38Å; K451-A454 PolarHBondContact O-N 3.26Å |
| 452 | S | 95.4 | Very high | 96 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 61% | 0.608 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -64.5 | -21.2 | 178.4 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | K450 | K450-S452 WeakPolarHBondContact CD-OG 3.38Å; K450-S452 PolarHBondContact O-N 3.38Å; K450-S452 VanDerWaalsContact O-N 3.12Å |
| 453 | N | 96.4 | Very high | 96.1 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -105.6 | -1.3 | -175.1 | -61.2 | 8.2 | 0 | 0 | 0 | 111.9 | V449 K450 K451 E455 Q456 F457 | V449-N453 HydrophobicContact CG1-CB 4.26Å; K450-N453 HydrophobicContact CB-CB 4.49Å; K450-N453 PolarHBondContact O-N 2.99Å; K451-N453 PolarHBondContact O-N 3.46Å; N453-E455 PolarHBondContact O-N 3.12Å; N453-Q456 PolarHBondContact O-N 3.12Å; N453-F457 VanDerWaalsContact O-CB 3.24Å; N453-F457 WeakPolarHBondContact O-CB 3.47Å; N453-F457 PolarHBondContact O-N 3.42Å |
| 454 | A | 96.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V237 K450 K451 F457 I458 V480 | V237-A454 HydrophobicContact CG2-CB 3.94Å; K450-A454 PolarHBondContact O-N 3.15Å; K451-A454 WeakPolarHBondContact O-CB 3.38Å; K451-A454 PolarHBondContact O-N 3.26Å; A454-F457 WeakPolarHBondContact O-CB 3.39Å; A454-F457 PolarHBondContact O-N 3.26Å; A454-I458 VanDerWaalsContact O-CG1 3.32Å; A454-I458 WeakPolarHBondContact O-CG1 3.42Å; A454-I458 PolarHBondContact O-N 3.38Å; A454-V480 HydrophobicContact CB-CG2 4.22Å |
| 455 | E | 96.6 | Very high | 96.1 | Very high | 173 Ų | 173 | 51.9 Ų | 51.9 | 81% | 0.808 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.4 | -47.4 | 178.8 | -66.4 | -178.4 | 177.3 | 0 | 0 | 111.9 | N453 F457 I458 A459 | N453-E455 PolarHBondContact O-N 3.12Å; E455-F457 VanDerWaalsContact C-N 3.32Å; E455-F457 PolarHBondContact O-N 2.86Å; E455-I458 PolarHBondContact O-N 3.46Å; E455-A459 PolarHBondContact O-N 3.23Å |
| 456 | Q | 97.7 | Very high | 95.9 | Very high | 146 Ų | 146 | 51.9 Ų | 51.9 | 68% | 0.682 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 176.9 | -174.6 | -177.7 | 17.8 | 0 | 0 | 111.5 | N453 A459 K460 | N453-Q456 PolarHBondContact O-N 3.12Å; Q456-A459 PolarHBondContact O-N 3.01Å; Q456-K460 WeakPolarHBondContact O-CB 3.43Å; Q456-K460 PolarHBondContact O-N 3.17Å |
| 457 | F | 98.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -50.6 | 175.2 | 172.6 | -88 | 0 | 0 | 0 | 111.3 | V239 C426 A429 A431 V449 N453 A454 E455 A459 K460 V461 | V239-F457 HydrophobicContact CB-CD1 4.09Å; V239-F457 HydrophobicContact CB-CE1 3.67Å; V239-F457 HydrophobicContact CG1-CD1 4.03Å; V239-F457 HydrophobicContact CG1-CE1 3.65Å; V239-F457 HydrophobicContact CG2-CD1 3.87Å; V239-F457 HydrophobicContact CG2-CE1 3.96Å; C426-F457 HydrophobicContact CB-CE2 4.17Å; C426-F457 HydrophobicContact CB-CZ 3.79Å; C426-F457 VanDerWaalsContact O-CE2 3.22Å; C426-F457 WeakPolarHBondContact O-CE2 3.34Å; A429-F457 HydrophobicContact CB-CD2 3.82Å; A429-F457 HydrophobicContact CB-CE2 3.93Å; A431-F457 HydrophobicContact CB-CE2 3.64Å; A431-F457 HydrophobicContact CB-CZ 4.21Å; V449-F457 HydrophobicContact CG1-CB 3.95Å; V449-F457 HydrophobicContact CG1-CD2 4.27Å; V449-F457 HydrophobicContact CG1-CG 4.07Å; V449-F457 HydrophobicContact CG2-CD1 3.93Å; V449-F457 HydrophobicContact CG2-CD2 3.76Å; V449-F457 HydrophobicContact CG2-CE1 4Å; V449-F457 HydrophobicContact CG2-CE2 3.8Å; V449-F457 HydrophobicContact CG2-CG 3.81Å; V449-F457 HydrophobicContact CG2-CZ 3.93Å; N453-F457 VanDerWaalsContact O-CB 3.24Å; N453-F457 WeakPolarHBondContact O-CB 3.47Å; N453-F457 PolarHBondContact O-N 3.42Å; A454-F457 WeakPolarHBondContact O-CB 3.39Å; A454-F457 PolarHBondContact O-N 3.26Å; E455-F457 VanDerWaalsContact C-N 3.32Å; E455-F457 PolarHBondContact O-N 2.86Å; F457-A459 PolarHBondContact O-N 3Å; F457-K460 PolarHBondContact O-N 3.03Å; F457-V461 HydrophobicContact CD1-CG2 4.26Å; F457-V461 HydrophobicContact CE1-CG2 3.82Å; F457-V461 HydrophobicContact CE2-CG2 4.23Å; F457-V461 HydrophobicContact CZ-CG2 3.82Å; F457-V461 WeakPolarHBondContact O-CG2 3.5Å; F457-V461 PolarHBondContact O-N 3.11Å |
| 458 | I | 96.6 | Very high | 95 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | -180 | -72.7 | 172.4 | 0 | 0 | 0 | 111 | V239 A454 E455 K460 V461 R462 I478 V480 | V239-I458 HydrophobicContact CG1-CD1 4.21Å; V239-I458 HydrophobicContact CG1-CG1 3.88Å; A454-I458 VanDerWaalsContact O-CG1 3.32Å; A454-I458 WeakPolarHBondContact O-CG1 3.42Å; A454-I458 PolarHBondContact O-N 3.38Å; E455-I458 PolarHBondContact O-N 3.46Å; I458-K460 VanDerWaalsContact C-N 3.31Å; I458-K460 PolarHBondContact O-N 3.36Å; I458-V461 PolarHBondContact O-N 2.66Å; I458-R462 HydrophobicContact CG2-CG 4.47Å; I458-R462 WeakPolarHBondContact O-CG 3.2Å; I458-R462 PolarHBondContact O-N 3.36Å; I458-I478 HydrophobicContact CB-CD1 4.44Å; I458-I478 HydrophobicContact CG1-CD1 4.06Å; I458-I478 HydrophobicContact CG1-CG1 4.16Å; I458-I478 HydrophobicContact CG2-CD1 4.34Å; I458-I478 HydrophobicContact CG2-CG1 4.47Å; I458-I478 HydrophobicContact CG2-CG2 4.04Å; I458-V480 HydrophobicContact CD1-CG2 3.53Å |
| 459 | A | 95.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E455 Q456 F457 R462 E463 | E455-A459 PolarHBondContact O-N 3.23Å; Q456-A459 PolarHBondContact O-N 3.01Å; F457-A459 PolarHBondContact O-N 3Å; A459-R462 PolarHBondContact O-N 3.42Å; A459-E463 PolarHBondContact O-N 3.13Å |
| 460 | K | 96.6 | Very high | 92.9 | Very high | 73 Ų | 73 | 68.7 Ų | 68.7 | 32% | 0.317 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 179 | -174.2 | 164.9 | 174.1 | -169.8 | 0 | 113.1 | S428 A429 Q456 F457 I458 R462 E463 E464 | S428-K460 PolarHBondContact O-NZ 3.14Å; A429-K460 HydrophobicContact CB-CB 4.09Å; A429-K460 HydrophobicContact CB-CD 3.95Å; A429-K460 HydrophobicContact CB-CG 3.91Å; Q456-K460 WeakPolarHBondContact O-CB 3.43Å; Q456-K460 PolarHBondContact O-N 3.17Å; F457-K460 PolarHBondContact O-N 3.03Å; I458-K460 VanDerWaalsContact C-N 3.31Å; I458-K460 PolarHBondContact O-N 3.36Å; K460-R462 VanDerWaalsContact C-N 3.32Å; K460-R462 PolarHBondContact O-N 3.45Å; K460-E463 PolarHBondContact O-N 3.13Å; K460-E464 WeakPolarHBondContact CE-OE1 3.27Å; K460-E464 HydrophobicContact CG-CG 4.37Å; K460-E464 IonicContact NZ-OE1 3.63Å; K460-E464 WeakPolarHBondContact O-CB 3.37Å; K460-E464 PolarHBondContact O-N 2.82Å |
| 461 | V | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 175 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L422 V425 A429 F457 I458 F465 Y466 I478 | L422-V461 HydrophobicContact CD1-CG1 3.86Å; V425-V461 HydrophobicContact CG1-CB 4.47Å; V425-V461 HydrophobicContact CG1-CG1 4.4Å; V425-V461 HydrophobicContact CG1-CG2 4.32Å; A429-V461 HydrophobicContact CB-CG2 3.88Å; F457-V461 HydrophobicContact CD1-CG2 4.26Å; F457-V461 HydrophobicContact CE1-CG2 3.82Å; F457-V461 HydrophobicContact CE2-CG2 4.23Å; F457-V461 HydrophobicContact CZ-CG2 3.82Å; F457-V461 WeakPolarHBondContact O-CG2 3.5Å; F457-V461 PolarHBondContact O-N 3.11Å; I458-V461 PolarHBondContact O-N 2.66Å; V461-F465 HydrophobicContact CG1-CB 4.44Å; V461-F465 VanDerWaalsContact O-CB 3.31Å; V461-F465 WeakPolarHBondContact O-CB 3.41Å; V461-F465 PolarHBondContact O-N 3.32Å; V461-Y466 HydrophobicContact CG1-CE2 4.2Å; V461-I478 HydrophobicContact CB-CD1 3.84Å; V461-I478 HydrophobicContact CG1-CD1 3.7Å; V461-I478 HydrophobicContact CG2-CD1 4.4Å |
| 462 | R | 93.8 | Very high | 89 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -60.7 | -46.4 | 173.6 | -74.1 | 175.2 | 176.3 | 162.5 | -2.4 | 112.3 | I458 A459 K460 Y466 N467 N475 I478 | I458-R462 HydrophobicContact CG2-CG 4.47Å; I458-R462 WeakPolarHBondContact O-CG 3.2Å; I458-R462 PolarHBondContact O-N 3.36Å; A459-R462 PolarHBondContact O-N 3.42Å; K460-R462 VanDerWaalsContact C-N 3.32Å; K460-R462 PolarHBondContact O-N 3.45Å; R462-Y466 HydrophobicContact CG-CD2 4.09Å; R462-Y466 PolarHBondContact O-N 3.01Å; R462-N467 VanDerWaalsContact O-CG 3.28Å; R462-N467 PolarHBondContact O-N 2.93Å; R462-N467 PolarHBondContact O-OD1 3.41Å; R462-N475 PolarHBondContact NE-OD1 3.48Å; R462-N475 PolarHBondContact NH1-OD1 3.38Å; R462-N475 PolarHBondContact NH2-O 3.35Å; R462-N475 PolarHBondContact NH2-OD1 2.93Å; R462-I478 HydrophobicContact CG-CG2 4.08Å |
| 463 | E | 93.3 | Very high | 87 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | I | π-helix | trans | -64.1 | -48.2 | 178.4 | -173.9 | 179.8 | -174.2 | 0 | 0 | 112.8 | A459 K460 | A459-E463 PolarHBondContact O-N 3.13Å; K460-E463 PolarHBondContact O-N 3.13Å |
| 464 | E | 94.6 | Very high | 85.3 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -88.3 | -18 | -169.9 | -69 | -174.3 | -171.3 | 0 | 0 | 114.6 | V425 K460 V468 | V425-E464 HydrophobicContact CG1-CB 3.67Å; V425-E464 HydrophobicContact CG2-CB 4.35Å; K460-E464 WeakPolarHBondContact CE-OE1 3.27Å; K460-E464 HydrophobicContact CG-CG 4.37Å; K460-E464 IonicContact NZ-OE1 3.63Å; K460-E464 WeakPolarHBondContact O-CB 3.37Å; K460-E464 PolarHBondContact O-N 2.82Å; E464-V468 WeakPolarHBondContact O-CG2 3.28Å |
| 465 | F | 94.2 | Very high | 83.7 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.018 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -116.7 | -66.4 | 179.8 | -171.3 | -98.9 | 0 | 0 | 0 | 112.2 | K421 L422 V425 V461 N467 V468 I469 | K421-F465 HydrophobicContact CB-CE2 4.21Å; K421-F465 HydrophobicContact CG-CD2 4.08Å; K421-F465 HydrophobicContact CG-CE2 3.91Å; L422-F465 HydrophobicContact CB-CD2 4.05Å; L422-F465 HydrophobicContact CB-CE1 4.23Å; L422-F465 HydrophobicContact CB-CE2 3.65Å; L422-F465 HydrophobicContact CB-CZ 3.76Å; L422-F465 HydrophobicContact CD1-CB 4.27Å; L422-F465 HydrophobicContact CD1-CD1 3.75Å; L422-F465 HydrophobicContact CD1-CD2 4.14Å; L422-F465 HydrophobicContact CD1-CE1 4.07Å; L422-F465 HydrophobicContact CD1-CE2 4.45Å; L422-F465 HydrophobicContact CD1-CG 3.79Å; L422-F465 HydrophobicContact CD1-CZ 4.41Å; L422-F465 HydrophobicContact CD2-CE1 4.28Å; L422-F465 HydrophobicContact CD2-CZ 4.47Å; L422-F465 HydrophobicContact CG-CE1 4.42Å; L422-F465 HydrophobicContact CG-CZ 4.43Å; V425-F465 HydrophobicContact CB-CB 4.45Å; V425-F465 HydrophobicContact CG1-CB 4.14Å; V425-F465 HydrophobicContact CG2-CB 4.35Å; V425-F465 HydrophobicContact CG2-CD2 4.43Å; V461-F465 HydrophobicContact CG1-CB 4.44Å; V461-F465 VanDerWaalsContact O-CB 3.31Å; V461-F465 WeakPolarHBondContact O-CB 3.41Å; V461-F465 PolarHBondContact O-N 3.32Å; F465-N467 PolarHBondContact O-N 3.03Å; F465-V468 WeakPolarHBondContact O-CB 3.48Å; F465-V468 PolarHBondContact O-N 3.28Å; F465-V468 VanDerWaalsContact O-N 3.1Å; F465-I469 HydrophobicContact CD1-CD1 4.02Å; F465-I469 HydrophobicContact CE1-CD1 3.53Å; F465-I469 HydrophobicContact CZ-CD1 4.04Å; F465-I469 PolarHBondContact O-N 2.64Å; F465-I469 VanDerWaalsContact O-N 3.1Å |
| 466 | Y | 92.1 | Very high | 82.7 | Confident | 1 Ų | 1 | 69 Ų | 69 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | I | π-helix | trans | -66.1 | -43.2 | -170.7 | -66.1 | -61.6 | 0 | 0 | 0 | 113.2 | H242 V461 R462 V468 I469 D470 L477 I478 | H242-Y466 PolarHBondContact N-OH 3.44Å; H242-Y466 VanDerWaalsContact N-OH 3.09Å; H242-Y466 WeakPolarHBondContact O-CE1 3.48Å; H242-Y466 PolarHBondContact O-OH 3.34Å; V461-Y466 HydrophobicContact CG1-CE2 4.2Å; R462-Y466 HydrophobicContact CG-CD2 4.09Å; R462-Y466 PolarHBondContact O-N 3.01Å; Y466-V468 PolarHBondContact O-N 3.15Å; Y466-I469 HydrophobicContact CD1-CD1 4.19Å; Y466-I469 PolarHBondContact O-N 3.47Å; Y466-D470 PolarHBondContact O-N 2.94Å; Y466-L477 HydrophobicContact CD1-CD1 4.26Å; Y466-L477 HydrophobicContact CE1-CB 3.76Å; Y466-L477 HydrophobicContact CE1-CD1 3.93Å; Y466-L477 PolarHBondContact OH-O 2.79Å; Y466-I478 HydrophobicContact CD2-CG2 4.43Å; Y466-I478 HydrophobicContact CE2-CB 3.86Å; Y466-I478 HydrophobicContact CE2-CD1 4.43Å; Y466-I478 HydrophobicContact CE2-CG2 3.82Å |
| 467 | N | 90.3 | Very high | 82.2 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -22.9 | 176.2 | -68.9 | -3.9 | 0 | 0 | 0 | 112.5 | R462 F465 | R462-N467 VanDerWaalsContact O-CG 3.28Å; R462-N467 PolarHBondContact O-N 2.93Å; R462-N467 PolarHBondContact O-OD1 3.41Å; F465-N467 PolarHBondContact O-N 3.03Å |
| 468 | V | 87.7 | Confident | 82 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 67% | 0.667 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -85.3 | -35.9 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 112 | E464 F465 Y466 | E464-V468 WeakPolarHBondContact O-CG2 3.28Å; F465-V468 WeakPolarHBondContact O-CB 3.48Å; F465-V468 PolarHBondContact O-N 3.28Å; F465-V468 VanDerWaalsContact O-N 3.1Å; Y466-V468 PolarHBondContact O-N 3.15Å |
| 469 | I | 82.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 40% | 0.395 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -85.1 | -44.2 | -176.1 | 60.8 | 171.5 | 0 | 0 | 0 | 113.7 | F465 Y466 | F465-I469 HydrophobicContact CD1-CD1 4.02Å; F465-I469 HydrophobicContact CE1-CD1 3.53Å; F465-I469 HydrophobicContact CZ-CD1 4.04Å; F465-I469 PolarHBondContact O-N 2.64Å; F465-I469 VanDerWaalsContact O-N 3.1Å; Y466-I469 HydrophobicContact CD1-CD1 4.19Å; Y466-I469 PolarHBondContact O-N 3.47Å |
| 470 | D | 67.7 | Low | 81.7 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -114.4 | -6.4 | -166 | -76.7 | -20 | 0 | 0 | 0 | 113.5 | Y466 N472 | Y466-D470 PolarHBondContact O-N 2.94Å; D470-N472 PolarHBondContact O-N 3.37Å |
| 471 | G | 57.6 | Low | 81.5 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 61 | -2.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 472 | N | 50.5 | Low | 81.2 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 62% | 0.62 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -118.8 | 129.2 | 178.7 | -91.5 | -20.5 | 0 | 0 | 0 | 109.6 | D470 N474 | D470-N472 PolarHBondContact O-N 3.37Å; N472-N474 PolarHBondContact O-N 3.2Å |
| 473 | S | 52.7 | Low | 81.1 | Confident | 78 Ų | 78 | 63 Ų | 63 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | trans | -72.9 | 70.6 | 171.3 | 57 | 0 | 0 | 0 | 0 | 110.1 | N475 | S473-N475 PolarHBondContact O-N 2.61Š| ||
| 474 | N | 60 | Low | 81.1 | Confident | 80 Ų | 80 | 57 Ų | 57 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | trans | -73 | 96.2 | -179.4 | -133.8 | -3 | 0 | 0 | 0 | 109.1 | N472 D476 L477 | N472-N474 PolarHBondContact O-N 3.2Å; N474-D476 PolarHBondContact O-N 3.1Å; N474-D476 VanDerWaalsContact O-N 3.15Å; N474-L477 HydrophobicContact CB-CD1 4.27Å; N474-L477 HydrophobicContact CB-CG 4.43Å | ||
| 475 | N | 63.3 | Low | 81 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -63.4 | -22.3 | -169.1 | -85.8 | -23.5 | 0 | 0 | 0 | 113.7 | R462 S473 | R462-N475 PolarHBondContact NE-OD1 3.48Å; R462-N475 PolarHBondContact NH1-OD1 3.38Å; R462-N475 PolarHBondContact NH2-O 3.35Å; R462-N475 PolarHBondContact NH2-OD1 2.93Å; S473-N475 PolarHBondContact O-N 2.61Å |
| 476 | D | 76.5 | Confident | 81.1 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -89.6 | -8 | -167.5 | -51.3 | -35.6 | 0 | 0 | 0 | 113.7 | W152 N474 I478 | W152-D476 HydrophobicContact CH2-CB 3.9Å; W152-D476 HydrophobicContact CZ2-CB 3.57Å; W152-D476 VanDerWaalsContact CZ2-O 3.32Å; W152-D476 WeakPolarHBondContact CZ2-O 3.36Å; N474-D476 PolarHBondContact O-N 3.1Å; N474-D476 VanDerWaalsContact O-N 3.15Å; D476-I478 PolarHBondContact O-N 2.67Å |
| 477 | L | 87.1 | Confident | 81.4 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -80.3 | -3.1 | 177.8 | -64.5 | -177 | 0 | 0 | 0 | 113.5 | W152 A241 H242 Y466 N474 | W152-L477 HydrophobicContact CE3-CD2 4.5Å; W152-L477 HydrophobicContact CH2-CD2 4.15Å; W152-L477 HydrophobicContact CZ2-CD2 4.26Å; W152-L477 HydrophobicContact CZ3-CD2 4.26Å; A241-L477 CarbonylContact C-O 3.59Å; A241-L477 WeakPolarHBondContact CA-O 2.87Å; H242-L477 HydrophobicContact CB-CB 4.18Å; H242-L477 HydrophobicContact CB-CD2 4.11Å; H242-L477 PolarHBondContact N-O 2.91Å; Y466-L477 HydrophobicContact CD1-CD1 4.26Å; Y466-L477 HydrophobicContact CE1-CB 3.76Å; Y466-L477 HydrophobicContact CE1-CD1 3.93Å; Y466-L477 PolarHBondContact OH-O 2.79Å; N474-L477 HydrophobicContact CB-CD1 4.27Å; N474-L477 HydrophobicContact CB-CG 4.43Å |
| 478 | I | 92.5 | Very high | 81.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 128.5 | 178.3 | -175.1 | 168 | 0 | 0 | 0 | 111.4 | V239 I240 A241 I458 V461 R462 Y466 D476 | V239-I478 HydrophobicContact CG1-CD1 3.85Å; V239-I478 HydrophobicContact CG1-CG1 3.61Å; I240-I478 VanDerWaalsContact O-CA 3.29Å; I240-I478 WeakPolarHBondContact O-CA 3.48Å; A241-I478 HydrophobicContact CB-CB 4.24Å; A241-I478 HydrophobicContact CB-CD1 3.93Å; A241-I478 HydrophobicContact CB-CG1 3.92Å; I458-I478 HydrophobicContact CB-CD1 4.44Å; I458-I478 HydrophobicContact CG1-CD1 4.06Å; I458-I478 HydrophobicContact CG1-CG1 4.16Å; I458-I478 HydrophobicContact CG2-CD1 4.34Å; I458-I478 HydrophobicContact CG2-CG1 4.47Å; I458-I478 HydrophobicContact CG2-CG2 4.04Å; V461-I478 HydrophobicContact CB-CD1 3.84Å; V461-I478 HydrophobicContact CG1-CD1 3.7Å; V461-I478 HydrophobicContact CG2-CD1 4.4Å; R462-I478 HydrophobicContact CG-CG2 4.08Å; Y466-I478 HydrophobicContact CD2-CG2 4.43Å; Y466-I478 HydrophobicContact CE2-CB 3.86Å; Y466-I478 HydrophobicContact CE2-CD1 4.43Å; Y466-I478 HydrophobicContact CE2-CG2 3.82Å; D476-I478 PolarHBondContact O-N 2.67Å |
| 479 | F | 92.3 | Very high | 82.2 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.5 | -178.2 | 63.1 | -87.1 | 0 | 0 | 0 | 112.6 | L60 L157 V239 I240 | L60-F479 HydrophobicContact CD2-CE2 4.47Å; L157-F479 HydrophobicContact CD1-CE1 4.36Å; L157-F479 HydrophobicContact CD1-CZ 4.13Å; V239-F479 WeakPolarHBondContact CA-O 3.46Å; I240-F479 HydrophobicContact CB-CD1 4.41Å; I240-F479 HydrophobicContact CB-CD2 4.49Å; I240-F479 HydrophobicContact CB-CE1 3.92Å; I240-F479 HydrophobicContact CB-CE2 4.02Å; I240-F479 HydrophobicContact CB-CZ 3.71Å; I240-F479 HydrophobicContact CD1-CE2 4.39Å; I240-F479 HydrophobicContact CG1-CE2 4.27Å; I240-F479 HydrophobicContact CG1-CZ 4.2Å; I240-F479 HydrophobicContact CG2-CE1 3.73Å; I240-F479 HydrophobicContact CG2-CZ 3.71Å; I240-F479 PolarHBondContact N-O 3.34Å; I240-F479 PolarHBondContact O-N 2.84Å |
| 480 | V | 94.1 | Very high | 82.9 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135.5 | 171.1 | -173 | 0 | 0 | 0 | 0 | 108.8 | V237 V239 A454 I458 | V237-V480 HydrophobicContact CB-CG1 3.81Å; V237-V480 HydrophobicContact CG1-CG1 4.16Å; V237-V480 HydrophobicContact CG2-CG1 4.1Å; V239-V480 HydrophobicContact CG2-CG2 4.38Å; A454-V480 HydrophobicContact CB-CG2 4.22Å; I458-V480 HydrophobicContact CD1-CG2 3.53Å |
| 481 | S | 92.4 | Very high | 84 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.1 | 174.6 | -164.5 | 0 | 0 | 0 | 0 | 111.7 | L60 F238 I240 | L60-S481 VanDerWaalsContact CD2-OG 3.28Å; L60-S481 WeakPolarHBondContact CD2-OG 3.33Å; F238-S481 PolarHBondContact N-O 3.26Å; F238-S481 PolarHBondContact O-N 3.08Å; I240-S481 VanDerWaalsContact CD1-CB 3.41Å |
| 482 | Q | 89.7 | Confident | 85.3 | Confident | 98 Ų | 98 | 40.1 Ų | 40.1 | 46% | 0.458 | 22% | 0.22 | S | C | . | . | trans | -124 | 166.3 | 164.2 | -66.9 | 180 | 7.9 | 0 | 0 | 108.6 | G484 | Q482-G484 PolarHBondContact O-N 3.11Å; Q482-G484 VanDerWaalsContact O-N 3.14Å | ||
| 483 | P | 92.3 | Very high | 86.3 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | trans | -63 | 114.5 | 177.6 | -20.4 | 31.2 | 0 | 0 | 0 | 112.2 | M58 N213 N214 L232 | M58-P483 HydrophobicContact CB-CB 3.94Å; M58-P483 HydrophobicContact CB-CG 4.11Å; M58-P483 HydrophobicContact SD-CB 4.31Å; M58-P483 HydrophobicContact SD-CG 3.74Å; N213-P483 PolarHBondContact N-O 3.27Å; N214-P483 VanDerWaalsContact C-CB 3.48Å; N214-P483 WeakPolarHBondContact O-CB 3.42Å; L232-P483 HydrophobicContact CD1-CG 3.87Å | ||
| 484 | G | 92.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | -79.4 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A59 Q482 | A59-G484 PolarHBondContact O-N 3.33Å; Q482-G484 PolarHBondContact O-N 3.11Å; Q482-G484 VanDerWaalsContact O-N 3.14Å | ||
| 485 | R | 94 | Very high | 89.4 | Confident | 42 Ų | 42 | 41.7 Ų | 41.7 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | trans | -79.4 | 154.7 | 175.8 | 66 | -176.1 | 167.9 | 159.5 | -2.8 | 112.5 | R36 P38 E61 E212 | R36-R485 PolarHBondContact NH1-O 3.16Å; P38-R485 WeakPolarHBondContact CG-O 3.44Å; E61-R485 IonicContact OE1-NE 2.6Å; E61-R485 IonicContact OE1-NH2 2.86Å; E212-R485 HydrophobicContact CB-CB 4.23Å; E212-R485 HydrophobicContact CG-CB 4.16Å | ||
| 486 | P | 96.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | trans | -66.8 | 176.9 | -179 | 28.6 | -36.1 | 0 | 0 | 0 | 113.8 | P8 Y10 R36 S207 A210 | P8-P486 HydrophobicContact CG-CG 4.49Å; Y10-P486 PolarHBondContact OH-O 3.09Å; R36-P486 PolarHBondContact NH1-O 3.06Å; S207-P486 CarbonylContact O-C 3.58Å; S207-P486 WeakPolarHBondContact O-CA 3.36Å; A210-P486 HydrophobicContact CB-CB 4.02Å; A210-P486 WeakPolarHBondContact O-CB 3.43Å; A210-P486 WeakPolarHBondContact O-CD 3.34Å; A210-P486 VanDerWaalsContact O-CG 3.28Å; A210-P486 WeakPolarHBondContact O-CG 3.25Å | ||
| 487 | A | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -58.5 | 147.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P8 R36 A37 V165 I169 S207 | P8-A487 VanDerWaalsContact CD-O 3.3Å; P8-A487 WeakPolarHBondContact CD-O 3.28Å; P8-A487 VanDerWaalsContact CG-O 3.31Å; P8-A487 WeakPolarHBondContact CG-O 3.15Å; R36-A487 CarbonylContact O-C 3.58Å; R36-A487 WeakPolarHBondContact O-CA 3.29Å; R36-A487 WeakPolarHBondContact O-CB 2.83Å; A37-A487 HydrophobicContact CB-CB 4.15Å; V165-A487 HydrophobicContact CG1-CB 3.99Å; I169-A487 HydrophobicContact CD1-CB 3.55Å; S207-A487 PolarHBondContact O-N 2.88Å | ||
| 488 | G | 97 | Very high | 92 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 170.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P8 R36 | P8-G488 CarbonylContact O-C 3.58Å; P8-G488 VanDerWaalsContact O-CA 3.25Å; P8-G488 WeakPolarHBondContact O-CA 3.23Å; R36-G488 PolarHBondContact N-O 2.85Å; R36-G488 PolarHBondContact O-N 3.27Å |
| 489 | I | 97.7 | Very high | 92 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.4 | -178.2 | -62.2 | 158.5 | 0 | 0 | 0 | 109 | I7 P8 E9 Y10 F33 V34 V35 I169 R173 | I7-I489 HydrophobicContact CB-CD1 4.43Å; I7-I489 HydrophobicContact CG2-CD1 3.88Å; I7-I489 HydrophobicContact CG2-CG1 3.92Å; P8-I489 PolarHBondContact O-N 3.16Å; E9-I489 CarbonylContact C-O 3.54Å; E9-I489 VanDerWaalsContact CA-O 3.29Å; E9-I489 WeakPolarHBondContact CA-O 3.31Å; Y10-I489 PolarHBondContact N-O 3.42Å; F33-I489 HydrophobicContact CB-CG2 4.07Å; F33-I489 HydrophobicContact CD2-CG2 4.08Å; F33-I489 HydrophobicContact CG-CG2 4.25Å; V34-I489 CarbonylContact O-C 3.4Å; V35-I489 HydrophobicContact CG2-CG1 4.46Å; I169-I489 HydrophobicContact CG2-CD1 3.85Å; I169-I489 HydrophobicContact CG2-CG1 3.6Å; R173-I489 HydrophobicContact CB-CD1 4.05Å; R173-I489 HydrophobicContact CG-CD1 3.89Å |
| 490 | M | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.9 | 173.8 | -65.7 | 172.2 | -161.8 | 0 | 0 | 108.3 | Y10 T13 A16 F33 V34 R36 Y65 | Y10-M490 HydrophobicContact CD2-CE 4.07Å; T13-M490 HydrophobicContact CG2-CE 4.07Å; T13-M490 HydrophobicContact CG2-SD 4.18Å; A16-M490 HydrophobicContact CB-CB 4.37Å; A16-M490 HydrophobicContact CB-SD 3.5Å; A16-M490 WeakPolarHBondContact CB-SD 3.19Å; F33-M490 WeakPolarHBondContact CA-O 3.5Å; F33-M490 WeakPolarHBondContact CB-O 3.45Å; V34-M490 HydrophobicContact CB-CB 4.38Å; V34-M490 PolarHBondContact N-O 2.85Å; V34-M490 PolarHBondContact O-N 3.42Å; R36-M490 HydrophobicContact CB-CE 4.01Å; Y65-M490 HydrophobicContact CE1-CE 4.16Å |
| 491 | V | 91 | Very high | 91.8 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 38% | 0.382 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.5 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 492 | I | 84.5 | Confident | 91.7 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | trans | -91.5 | 118.8 | 176.8 | -48.4 | -61.6 | 0 | 0 | 0 | 107.2 | A12 A16 V34 | A12-I492 HydrophobicContact CB-CD1 3.73Å; A16-I492 HydrophobicContact CB-CD1 4.05Å; V34-I492 HydrophobicContact CG2-CD1 4.02Å; V34-I492 HydrophobicContact CG2-CG1 3.95Å | ||
| 493 | Q | 71.4 | Confident | 91.9 | Very high | 224 Ų | 224 | 35.3 Ų | 35.3 | 100% | 1.047 | 18% | 0.177 | S | C | * | . | trans | -71.3 | 0 | -177.9 | -69.1 | -174.2 | -21.5 | 0 | 0 | 110.8 | K30 | K30-Q493 PolarHBondContact NZ-OXT 3.46Š|
Retrieved 493 of 493 residues in 112.5 ms
(Link to these results)