| 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 | 30.6 | Very low | 72.5 | Confident | 235 Ų | 235 | 73.4 Ų | 73.4 | 100% | 1.158 | 40% | 0.398 | S | S | * | . | 0 | 116.2 | 0 | -89.2 | 173.4 | 150.7 | 0 | 0 | 107.6 | Y78 | M1-Y78 PolarHBondContact O-OH 3.34Š| |||
| 2 | E | 43.5 | Very low | 74.5 | Confident | 172 Ų | 172 | 67.3 Ų | 67.3 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | trans | -69.5 | 138.9 | 161.1 | -65.6 | -175.4 | 159.4 | 0 | 0 | 108 | G4 | E2-G4 PolarHBondContact O-N 3.05Å; E2-G4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | I | 56.7 | Low | 76.1 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -68.4 | 110.6 | 165.1 | -62.2 | 176.1 | 0 | 0 | 0 | 105.8 | T6 Y78 P342 | I3-T6 HydrophobicContact CG2-CG2 3.66Å; I3-Y78 HydrophobicContact CB-CE1 4.02Å; I3-Y78 HydrophobicContact CD1-CD1 3.9Å; I3-Y78 HydrophobicContact CD1-CD2 3.69Å; I3-Y78 HydrophobicContact CD1-CE1 3.88Å; I3-Y78 HydrophobicContact CD1-CE2 3.7Å; I3-Y78 HydrophobicContact CD1-CG 3.79Å; I3-Y78 HydrophobicContact CG1-CD1 4.4Å; I3-Y78 HydrophobicContact CG1-CD2 4.49Å; I3-Y78 HydrophobicContact CG1-CE1 3.9Å; I3-Y78 HydrophobicContact CG1-CE2 4.02Å; I3-Y78 PolarHBondContact N-OH 3.01Å; I3-P342 HydrophobicContact CG2-CB 4.46Å; I3-P342 HydrophobicContact CG2-CG 4.17Å | ||
| 4 | G | 59.4 | Low | 77.4 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | trans | -64.4 | -178.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2 T6 | E2-G4 PolarHBondContact O-N 3.05Å; E2-G4 VanDerWaalsContact O-N 3.16Å; G4-T6 PolarHBondContact O-N 3.2Å | ||
| 5 | D | 65.1 | Low | 78.5 | Confident | 112 Ų | 112 | 57.9 Ų | 57.9 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -50.7 | 114.9 | 175.6 | -66.2 | -2.7 | 0 | 0 | 0 | 110.3 | N340 | D5-N340 WeakPolarHBondContact CA-O 3.33Š|
| 6 | T | 80.2 | Confident | 79.3 | Confident | 46 Ų | 46 | 59.2 Ų | 59.2 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.2 | -177.9 | 36.1 | 0 | 0 | 0 | 0 | 109.2 | I3 G4 N340 P342 | I3-T6 HydrophobicContact CG2-CG2 3.66Å; G4-T6 PolarHBondContact O-N 3.2Å; T6-N340 PolarHBondContact N-O 3.03Å; T6-N340 PolarHBondContact O-N 3.43Å; T6-P342 VanDerWaalsContact OG1-CD 3.22Å; T6-P342 WeakPolarHBondContact OG1-CD 3.22Å; T6-P342 VanDerWaalsContact OG1-CG 3.26Å; T6-P342 WeakPolarHBondContact OG1-CG 3.31Å |
| 7 | S | 86.3 | Confident | 79.9 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 147.7 | 167.2 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | K9 R336 I338 | S7-K9 PolarHBondContact O-N 3.2Å; S7-R336 WeakPolarHBondContact CB-O 3.46Å; S7-I338 CarbonylContact C-O 3.56Å; S7-I338 VanDerWaalsContact CA-O 3.29Å; S7-I338 WeakPolarHBondContact CA-O 3.09Å |
| 8 | V | 92.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 122.5 | 166.7 | 173.9 | 0 | 0 | 0 | 0 | 108 | L303 T309 M311 I338 | V8-L303 HydrophobicContact CG2-CD2 4.48Å; V8-T309 HydrophobicContact CG1-CG2 4.12Å; V8-T309 HydrophobicContact CG2-CG2 4.48Å; V8-M311 HydrophobicContact CG1-CB 4.46Å; V8-I338 HydrophobicContact CG2-CB 3.85Å; V8-I338 HydrophobicContact CG2-CG2 3.97Å; V8-I338 PolarHBondContact N-O 3.23Å |
| 9 | K | 94 | Very high | 80.6 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 142.2 | 176.4 | -71.1 | -171.4 | 174.2 | -170.7 | 0 | 109.8 | S7 Y51 T309 L310 M311 | S7-K9 PolarHBondContact O-N 3.2Å; K9-Y51 HydrophobicContact CD-CE2 4.29Å; K9-Y51 PolarHBondContact NZ-OH 3.22Å; K9-T309 PolarHBondContact N-O 3.44Å; K9-L310 HydrophobicContact CB-CD1 3.92Å; K9-L310 CarbonylContact O-C 3.58Å; K9-L310 WeakPolarHBondContact O-CA 2.96Å; K9-M311 PolarHBondContact O-N 3.09Å |
| 10 | V | 94.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117.5 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | F49 D50 Y51 M311 A332 A335 R336 | V10-F49 HydrophobicContact CB-CD1 4.19Å; V10-F49 HydrophobicContact CG1-CD1 3.52Å; V10-F49 HydrophobicContact CG1-CE1 4.06Å; V10-F49 HydrophobicContact CG1-CG 4.39Å; V10-D50 PolarHBondContact N-OD2 3.1Å; V10-D50 WeakPolarHBondContact O-CB 3.46Å; V10-D50 PolarHBondContact O-N 2.91Å; V10-D50 VanDerWaalsContact O-N 3.09Å; V10-Y51 PolarHBondContact O-N 3.4Å; V10-M311 WeakPolarHBondContact CA-O 3.25Å; V10-M311 HydrophobicContact CG2-CB 4.35Å; V10-A332 HydrophobicContact CG1-CB 3.71Å; V10-A335 HydrophobicContact CG2-CB 4.46Å; V10-R336 HydrophobicContact CB-CB 4.41Å; V10-R336 HydrophobicContact CG2-CB 3.68Å; V10-R336 HydrophobicContact CG2-CG 4.28Å |
| 11 | G | 94.9 | Very high | 81 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y51 M311 L312 A313 | G11-Y51 CarbonylContact C-O 3.56Å; G11-Y51 VanDerWaalsContact CA-O 3.32Å; G11-Y51 WeakPolarHBondContact CA-O 3.48Å; G11-M311 PolarHBondContact N-O 3.4Å; G11-L312 CarbonylContact O-C 3.42Å; G11-L312 WeakPolarHBondContact O-CA 3.48Å; G11-A313 PolarHBondContact O-N 2.94Å |
| 12 | V | 96.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133 | 167.3 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | V14 L39 F49 Y51 F53 A313 V315 L329 | V12-V14 HydrophobicContact CG1-CG2 4.46Å; V12-L39 HydrophobicContact CB-CD2 3.93Å; V12-L39 HydrophobicContact CG1-CD2 3.69Å; V12-L39 HydrophobicContact CG2-CD2 4.06Å; V12-F49 HydrophobicContact CB-CD2 4.32Å; V12-F49 HydrophobicContact CG2-CB 4.39Å; V12-F49 HydrophobicContact CG2-CD1 4.01Å; V12-F49 HydrophobicContact CG2-CD2 3.4Å; V12-F49 HydrophobicContact CG2-CE1 4.11Å; V12-F49 HydrophobicContact CG2-CE2 3.52Å; V12-F49 HydrophobicContact CG2-CG 3.65Å; V12-F49 HydrophobicContact CG2-CZ 3.87Å; V12-Y51 PolarHBondContact N-O 3.43Å; V12-F53 WeakPolarHBondContact O-CD2 3.31Å; V12-F53 PolarHBondContact O-N 3.44Å; V12-A313 WeakPolarHBondContact CA-O 3.44Å; V12-A313 HydrophobicContact CG2-CB 4.13Å; V12-V315 HydrophobicContact CG1-CG2 3.87Å; V12-L329 HydrophobicContact CG1-CD2 4Å; V12-L329 HydrophobicContact CG2-CD2 3.84Å |
| 13 | R | 95.4 | Very high | 85.5 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.9 | 172.4 | -173.4 | -177 | -169.1 | 174 | 11.3 | 110.7 | F53 D57 Q59 T95 A313 C314 V315 | R13-F53 HydrophobicContact CB-CB 4.25Å; R13-F53 HydrophobicContact CB-CD2 4.47Å; R13-F53 HydrophobicContact CG-CB 4.06Å; R13-D57 PolarHBondContact NH2-O 2.87Å; R13-Q59 VanDerWaalsContact CZ-OE1 3.3Å; R13-T95 WeakPolarHBondContact CD-OG1 3.43Å; R13-T95 PolarHBondContact NH1-OG1 3.5Å; R13-A313 PolarHBondContact N-O 3.47Å; R13-C314 WeakPolarHBondContact O-CA 3.36Å; R13-V315 PolarHBondContact O-N 2.88Å |
| 14 | V | 95.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.8 | 172.8 | -166 | 0 | 0 | 0 | 0 | 108.3 | V12 L30 Y32 F53 E55 V315 P317 | V12-V14 HydrophobicContact CG1-CG2 4.46Å; V14-L30 HydrophobicContact CB-CD1 4.4Å; V14-L30 HydrophobicContact CG1-CD1 3.7Å; V14-L30 HydrophobicContact CG2-CD1 3.74Å; V14-Y32 WeakPolarHBondContact CB-OH 3.33Å; V14-Y32 HydrophobicContact CG2-CE1 4.12Å; V14-Y32 VanDerWaalsContact CG2-OH 3.23Å; V14-Y32 WeakPolarHBondContact CG2-OH 3.42Å; V14-F53 PolarHBondContact N-O 2.88Å; V14-E55 HydrophobicContact CB-CG 4.44Å; V14-E55 HydrophobicContact CG1-CG 3.97Å; V14-E55 WeakPolarHBondContact CG1-OE1 3.42Å; V14-V315 HydrophobicContact CB-CG2 4.29Å; V14-V315 HydrophobicContact CG1-CG2 4.42Å; V14-V315 HydrophobicContact CG2-CG2 3.78Å; V14-P317 HydrophobicContact CG1-CB 3.75Å; V14-P317 HydrophobicContact CG1-CG 4.01Å |
| 15 | R | 93.7 | Very high | 88 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 158.1 | 171.3 | 63.6 | 151.3 | 176.9 | 74.9 | -4 | 110.8 | E21 G89 V315 S316 P317 | R15-E21 IonicContact CZ-OE1 2.85Å; R15-E21 IonicContact CZ-OE2 3.79Å; R15-E21 VanDerWaalsContact CZ-OE2 3.26Å; R15-E21 IonicContact NH1-OE1 2.67Å; R15-E21 IonicContact NH1-OE2 3.96Å; R15-E21 PolarHBondContact NH1-OE2 2.8Å; R15-E21 IonicContact NH2-OE1 3.76Å; R15-E21 PolarHBondContact NH2-OE1 3.4Å; R15-E21 IonicContact NH2-OE2 3.99Å; R15-E21 PolarHBondContact NH2-OE2 2.8Å; R15-G89 WeakPolarHBondContact CD-O 3.38Å; R15-G89 PolarHBondContact NE-O 2.96Å; R15-V315 PolarHBondContact N-O 3.14Å; R15-S316 PolarHBondContact NH1-OG 3.45Å; R15-S316 PolarHBondContact NH2-OG 3.07Å; R15-P317 WeakPolarHBondContact O-CD 3.5Å; R15-P317 WeakPolarHBondContact O-CG 3.27Å |
| 16 | P | 91.6 | Very high | 88.9 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 156.8 | 164.9 | -24.1 | 33.9 | 0 | 0 | 0 | 112.3 | S18 E55 | P16-S18 PolarHBondContact O-N 3.47Å; P16-E55 HydrophobicContact CG-CB 4.33Å |
| 17 | L | 89.5 | Confident | 89.3 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 136.8 | 164.7 | -70 | 168.8 | 0 | 0 | 0 | 109.4 | E21 V22 P317 A318 | L17-E21 HydrophobicContact CD2-CB 4.21Å; L17-V22 HydrophobicContact CB-CG2 3.73Å; L17-V22 HydrophobicContact CD1-CG2 4.4Å; L17-P317 HydrophobicContact CD2-CG 3.89Å; L17-P317 HydrophobicContact CG-CG 4.06Å; L17-A318 HydrophobicContact CD2-CB 3.68Å |
| 18 | S | 87.8 | Confident | 89.4 | Confident | 37 Ų | 37 | 49 Ų | 49 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -78 | 159.8 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 111 | P16 S20 E21 V22 | P16-S18 PolarHBondContact O-N 3.47Å; S18-S20 PolarHBondContact O-N 3.38Å; S18-S20 PolarHBondContact OG-OG 2.95Å; S18-E21 WeakPolarHBondContact CB-OE2 3.44Å; S18-E21 PolarHBondContact N-OE2 2.98Å; S18-E21 PolarHBondContact O-N 2.77Å; S18-E21 VanDerWaalsContact O-N 3.16Å; S18-E21 VanDerWaalsContact OG-CG 3.31Å; S18-E21 WeakPolarHBondContact OG-CG 3.25Å; S18-E21 PolarHBondContact OG-N 2.92Å; S18-E21 PolarHBondContact OG-OE2 3.22Å; S18-V22 WeakPolarHBondContact O-CG2 3.19Å; S18-V22 PolarHBondContact O-N 3.26Å |
| 19 | S | 84.1 | Confident | 89.4 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.1 | -35.7 | 178 | 46.6 | 0 | 0 | 0 | 0 | 112.9 | N23 | S19-N23 WeakPolarHBondContact O-CB 3.33Å; S19-N23 PolarHBondContact O-N 2.89Å; S19-N23 PolarHBondContact O-ND2 2.74Å; S19-N23 PolarHBondContact O-OD1 2.68Å |
| 20 | S | 83.3 | Confident | 89.2 | Confident | 65 Ų | 65 | 46 Ų | 46 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65 | -51.4 | 172.8 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | S18 V22 N23 D24 | S18-S20 PolarHBondContact O-N 3.38Å; S18-S20 PolarHBondContact OG-OG 2.95Å; S20-V22 VanDerWaalsContact C-N 3.26Å; S20-V22 PolarHBondContact O-N 2.88Å; S20-N23 CarbonylContact O-C 3.53Å; S20-N23 WeakPolarHBondContact O-CB 3.23Å; S20-N23 PolarHBondContact O-N 3.32Å; S20-D24 WeakPolarHBondContact O-CB 3.34Å; S20-D24 PolarHBondContact O-N 3.42Å; S20-D24 VanDerWaalsContact O-OD2 3.12Å |
| 21 | E | 87.7 | Confident | 88.9 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60 | -35.1 | 179 | -72.4 | 160.4 | 148.5 | 0 | 0 | 112.6 | R15 L17 S18 G25 S26 S316 A318 N321 | R15-E21 IonicContact CZ-OE1 2.85Å; R15-E21 IonicContact CZ-OE2 3.79Å; R15-E21 VanDerWaalsContact CZ-OE2 3.26Å; R15-E21 IonicContact NH1-OE1 2.67Å; R15-E21 IonicContact NH1-OE2 3.96Å; R15-E21 PolarHBondContact NH1-OE2 2.8Å; R15-E21 IonicContact NH2-OE1 3.76Å; R15-E21 PolarHBondContact NH2-OE1 3.4Å; R15-E21 IonicContact NH2-OE2 3.99Å; R15-E21 PolarHBondContact NH2-OE2 2.8Å; L17-E21 HydrophobicContact CD2-CB 4.21Å; S18-E21 WeakPolarHBondContact CB-OE2 3.44Å; S18-E21 PolarHBondContact N-OE2 2.98Å; S18-E21 PolarHBondContact O-N 2.77Å; S18-E21 VanDerWaalsContact O-N 3.16Å; S18-E21 VanDerWaalsContact OG-CG 3.31Å; S18-E21 WeakPolarHBondContact OG-CG 3.25Å; S18-E21 PolarHBondContact OG-N 2.92Å; S18-E21 PolarHBondContact OG-OE2 3.22Å; E21-G25 PolarHBondContact O-N 2.93Å; E21-S26 WeakPolarHBondContact O-CB 3.45Å; E21-S26 PolarHBondContact O-N 2.94Å; E21-S26 PolarHBondContact O-OG 3.43Å; E21-S316 PolarHBondContact OE1-OG 2.79Å; E21-A318 HydrophobicContact CB-CB 4.32Å; E21-A318 HydrophobicContact CG-CB 3.9Å; E21-A318 VanDerWaalsContact OE1-CB 3.26Å; E21-A318 WeakPolarHBondContact OE1-CB 3.35Å; E21-N321 PolarHBondContact OE1-ND2 3.46Å |
| 22 | V | 85.3 | Confident | 88.5 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 173.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | L17 S18 S20 D24 G25 | L17-V22 HydrophobicContact CB-CG2 3.73Å; L17-V22 HydrophobicContact CD1-CG2 4.4Å; S18-V22 WeakPolarHBondContact O-CG2 3.19Å; S18-V22 PolarHBondContact O-N 3.26Å; S20-V22 VanDerWaalsContact C-N 3.26Å; S20-V22 PolarHBondContact O-N 2.88Å; V22-D24 VanDerWaalsContact C-N 3.33Å; V22-G25 PolarHBondContact O-N 3.26Å |
| 23 | N | 82.8 | Confident | 87.9 | Confident | 138 Ų | 138 | 54.2 Ų | 54.2 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.3 | -34.9 | 176.2 | -70 | -9.5 | 0 | 0 | 0 | 112.3 | S19 S20 G25 | S19-N23 WeakPolarHBondContact O-CB 3.33Å; S19-N23 PolarHBondContact O-N 2.89Å; S19-N23 PolarHBondContact O-ND2 2.74Å; S19-N23 PolarHBondContact O-OD1 2.68Å; S20-N23 CarbonylContact O-C 3.53Å; S20-N23 WeakPolarHBondContact O-CB 3.23Å; S20-N23 PolarHBondContact O-N 3.32Å; N23-G25 PolarHBondContact O-N 2.84Å |
| 24 | D | 85.3 | Confident | 86.4 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -6.1 | 175.4 | -63 | -31.4 | 0 | 0 | 0 | 112.7 | S20 V22 S26 | S20-D24 WeakPolarHBondContact O-CB 3.34Å; S20-D24 PolarHBondContact O-N 3.42Å; S20-D24 VanDerWaalsContact O-OD2 3.12Å; V22-D24 VanDerWaalsContact C-N 3.33Å; D24-S26 VanDerWaalsContact C-N 3.34Å |
| 25 | G | 82.3 | Confident | 85.1 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 20 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E21 V22 N23 | E21-G25 PolarHBondContact O-N 2.93Å; V22-G25 PolarHBondContact O-N 3.26Å; N23-G25 PolarHBondContact O-N 2.84Å |
| 26 | S | 85 | Confident | 83.8 | Confident | 15 Ų | 15 | 73 Ų | 73 | 11% | 0.105 | 43% | 0.429 | C | S | . | . | trans | -64.2 | 133.4 | -178.8 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | E21 D24 D319 | E21-S26 WeakPolarHBondContact O-CB 3.45Å; E21-S26 PolarHBondContact O-N 2.94Å; E21-S26 PolarHBondContact O-OG 3.43Å; D24-S26 VanDerWaalsContact C-N 3.34Å; S26-D319 WeakPolarHBondContact CA-OD1 3.35Å; S26-D319 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 27 | S | 87.8 | Confident | 83.6 | Confident | 67 Ų | 67 | 72.5 Ų | 72.5 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | trans | -93.9 | 156.8 | 176.1 | 74.5 | 0 | 0 | 0 | 0 | 112.4 | C29 D319 | S27-C29 PolarHBondContact O-N 3.29Å; S27-D319 WeakPolarHBondContact CA-OD2 3.4Å; S27-D319 WeakPolarHBondContact CB-OD2 3.46Å; S27-D319 VanDerWaalsContact N-CG 3.28Å; S27-D319 PolarHBondContact N-OD1 2.63Å; S27-D319 PolarHBondContact N-OD2 3.32Å; S27-D319 PolarHBondContact O-N 3.07Å; S27-D319 PolarHBondContact OG-OD2 2.95Å | ||
| 28 | T | 89.7 | Confident | 83.5 | Confident | 72 Ų | 72 | 72 Ų | 72 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 114.7 | 174.5 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | L30 P317 | T28-L30 HydrophobicContact CG2-CB 4.47Å; T28-L30 VanDerWaalsContact CG2-O 3.26Å; T28-L30 WeakPolarHBondContact CG2-O 3.29Å; T28-P317 CarbonylContact C-O 3.59Å; T28-P317 WeakPolarHBondContact CA-O 3.32Å; T28-P317 HydrophobicContact CG2-CB 3.97Å |
| 29 | C | 90.3 | Very high | 83.6 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 11% | 0.108 | 41% | 0.406 | C | S | . | . | trans | -90.2 | 2.8 | 178.3 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | S27 G42 P317 D319 M322 | S27-C29 PolarHBondContact O-N 3.29Å; C29-G42 PolarHBondContact O-N 3.07Å; C29-P317 PolarHBondContact N-O 3.25Å; C29-P317 PolarHBondContact SG-O 2.95Å; C29-D319 HydrophobicContact CB-CB 4.21Å; C29-M322 HydrophobicContact CB-CB 4.41Å; C29-M322 HydrophobicContact CB-CG 4.24Å | ||
| 30 | L | 90.9 | Very high | 83.9 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.3 | -179.8 | -66.4 | 178.7 | 0 | 0 | 0 | 111.2 | V14 T28 L39 I40 I41 V315 P317 T325 | V14-L30 HydrophobicContact CB-CD1 4.4Å; V14-L30 HydrophobicContact CG1-CD1 3.7Å; V14-L30 HydrophobicContact CG2-CD1 3.74Å; T28-L30 HydrophobicContact CG2-CB 4.47Å; T28-L30 VanDerWaalsContact CG2-O 3.26Å; T28-L30 WeakPolarHBondContact CG2-O 3.29Å; L30-L39 HydrophobicContact CD2-CD1 4.3Å; L30-I40 WeakPolarHBondContact CA-O 3.18Å; L30-I41 HydrophobicContact CD2-CB 3.72Å; L30-I41 HydrophobicContact CD2-CD1 4.03Å; L30-I41 HydrophobicContact CD2-CG1 3.93Å; L30-V315 HydrophobicContact CD1-CG2 4.06Å; L30-P317 HydrophobicContact CD1-CB 4.47Å; L30-T325 HydrophobicContact CD1-CG2 4.19Å; L30-T325 HydrophobicContact CD2-CG2 4.06Å; L30-T325 HydrophobicContact CG-CG2 4.49Å |
| 31 | S | 88.5 | Confident | 84.2 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.6 | 169.9 | 59 | 0 | 0 | 0 | 0 | 111.2 | L39 I40 | S31-L39 CarbonylContact O-C 3.56Å; S31-L39 WeakPolarHBondContact O-CA 3.48Å; S31-I40 PolarHBondContact N-O 3.34Å; S31-I40 PolarHBondContact O-N 3.12Å |
| 32 | Y | 86.9 | Confident | 84.1 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.2 | -171.1 | -51.8 | -77.4 | 0 | 0 | 0 | 110.1 | V14 L39 V52 K54 E55 | V14-Y32 WeakPolarHBondContact CB-OH 3.33Å; V14-Y32 HydrophobicContact CG2-CE1 4.12Å; V14-Y32 VanDerWaalsContact CG2-OH 3.23Å; V14-Y32 WeakPolarHBondContact CG2-OH 3.42Å; Y32-L39 HydrophobicContact CD1-CB 4.46Å; Y32-V52 HydrophobicContact CD1-CG1 3.92Å; Y32-V52 HydrophobicContact CE1-CG1 3.96Å; Y32-K54 HydrophobicContact CD1-CD 4.48Å; Y32-K54 HydrophobicContact CD1-CG 4.06Å; Y32-K54 HydrophobicContact CD2-CD 4.01Å; Y32-K54 HydrophobicContact CD2-CG 4.18Å; Y32-K54 HydrophobicContact CE1-CG 3.95Å; Y32-K54 HydrophobicContact CE2-CB 4.38Å; Y32-K54 HydrophobicContact CE2-CD 4.3Å; Y32-K54 HydrophobicContact CE2-CG 4.08Å; Y32-K54 HydrophobicContact CG-CD 4.12Å; Y32-K54 HydrophobicContact CG-CG 4.17Å; Y32-E55 WeakPolarHBondContact CE2-OE2 3.31Å; Y32-E55 PolarHBondContact OH-OE1 3.48Å; Y32-E55 PolarHBondContact OH-OE2 3.15Å |
| 33 | L | 82.8 | Confident | 83.8 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 40% | 0.403 | 39% | 0.389 | S | S | . | . | trans | -75.7 | 142.2 | 162.4 | -114.4 | 67.6 | 0 | 0 | 0 | 108.8 | E35 Q38 I40 | L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.34Å; L33-Q38 HydrophobicContact CB-CB 4.41Å; L33-I40 HydrophobicContact CD1-CD1 3.84Å | ||
| 34 | N | 64.8 | Low | 83.7 | Confident | 147 Ų | 147 | 68.2 Ų | 68.2 | 79% | 0.786 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -74.4 | -16.1 | -163.8 | -84.4 | -24 | 0 | 0 | 0 | 115.5 | ||
| 35 | E | 66.3 | Low | 83.9 | Confident | 193 Ų | 193 | 66.5 Ų | 66.5 | 90% | 0.902 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -133.5 | -21.3 | -174 | -61.6 | -170.6 | 159.4 | 0 | 0 | 115.2 | L33 | L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 3.34Å |
| 36 | E | 67.5 | Low | 84.3 | Confident | 118 Ų | 118 | 68 Ų | 68 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -95.7 | 144.4 | 176.1 | -56.7 | -169.6 | 178.2 | 0 | 0 | 109.2 | Q38 | E36-Q38 HydrophobicContact CB-CB 4.34Å; E36-Q38 HydrophobicContact CB-CG 3.89Å; E36-Q38 PolarHBondContact O-N 3.02Å; E36-Q38 VanDerWaalsContact OE2-CD 3.25Å; E36-Q38 PolarHBondContact OE2-NE2 3.28Å; E36-Q38 PolarHBondContact OE2-OE1 2.85Å |
| 37 | N | 86.4 | Confident | 84.6 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -70.8 | 66.4 | 175.6 | -73 | -59.2 | 0 | 0 | 0 | 110.2 | G48 F49 D50 V52 | N37-G48 WeakPolarHBondContact O-CA 3.4Å; N37-F49 WeakPolarHBondContact CB-O 3.14Å; N37-F49 PolarHBondContact O-N 3.08Å; N37-D50 PolarHBondContact ND2-O 3.31Å; N37-D50 VanDerWaalsContact ND2-O 3.14Å; N37-V52 VanDerWaalsContact C-CG2 3.46Å; N37-V52 HydrophobicContact CB-CG2 4.23Å; N37-V52 WeakPolarHBondContact O-CG2 3.25Å |
| 38 | Q | 88.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 19% | 0.187 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.7 | -170 | -72.4 | -179.8 | 6.1 | 0 | 0 | 110.7 | L33 E36 L46 F47 | L33-Q38 HydrophobicContact CB-CB 4.41Å; E36-Q38 HydrophobicContact CB-CB 4.34Å; E36-Q38 HydrophobicContact CB-CG 3.89Å; E36-Q38 PolarHBondContact O-N 3.02Å; E36-Q38 VanDerWaalsContact OE2-CD 3.25Å; E36-Q38 PolarHBondContact OE2-NE2 3.28Å; E36-Q38 PolarHBondContact OE2-OE1 2.85Å; Q38-L46 HydrophobicContact CB-CD1 4.04Å; Q38-F47 CarbonylContact C-O 3.16Å; Q38-F47 VanDerWaalsContact CA-O 3.23Å; Q38-F47 WeakPolarHBondContact CA-O 3.49Å |
| 39 | L | 90.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.4 | 177.4 | 61.9 | 92.8 | 0 | 0 | 0 | 109.6 | V12 L30 S31 Y32 F47 F49 V52 L329 | V12-L39 HydrophobicContact CB-CD2 3.93Å; V12-L39 HydrophobicContact CG1-CD2 3.69Å; V12-L39 HydrophobicContact CG2-CD2 4.06Å; L30-L39 HydrophobicContact CD2-CD1 4.3Å; S31-L39 CarbonylContact O-C 3.56Å; S31-L39 WeakPolarHBondContact O-CA 3.48Å; Y32-L39 HydrophobicContact CD1-CB 4.46Å; L39-F47 HydrophobicContact CD1-CB 4.17Å; L39-F47 HydrophobicContact CD1-CD2 4.28Å; L39-F47 HydrophobicContact CG-CB 4.38Å; L39-F47 PolarHBondContact N-O 3.21Å; L39-F47 PolarHBondContact O-N 3.37Å; L39-F49 HydrophobicContact CD1-CE2 4.48Å; L39-F49 HydrophobicContact CD2-CD2 3.89Å; L39-F49 HydrophobicContact CD2-CE2 3.76Å; L39-F49 HydrophobicContact CG-CD2 4.42Å; L39-F49 HydrophobicContact CG-CE2 4.11Å; L39-V52 HydrophobicContact CD2-CG1 4.18Å; L39-V52 HydrophobicContact CD2-CG2 4.09Å; L39-L329 HydrophobicContact CD1-CD1 3.5Å; L39-L329 VanDerWaalsContact CD1-CD1 3.5Å; L39-L329 HydrophobicContact CD1-CD2 3.71Å; L39-L329 HydrophobicContact CD1-CG 4.22Å; L39-L329 HydrophobicContact CD2-CD2 3.82Å; L39-L329 HydrophobicContact CG-CD2 4.37Å |
| 40 | I | 89 | Confident | 85.1 | Confident | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.4 | 173.4 | -60.8 | 167.5 | 0 | 0 | 0 | 106.9 | L30 S31 L33 K45 L46 | L30-I40 WeakPolarHBondContact CA-O 3.18Å; S31-I40 PolarHBondContact N-O 3.34Å; S31-I40 PolarHBondContact O-N 3.12Å; L33-I40 HydrophobicContact CD1-CD1 3.84Å; I40-K45 WeakPolarHBondContact CA-O 3.49Å; I40-L46 HydrophobicContact CD1-CD1 4.23Å; I40-L46 HydrophobicContact CG1-CB 4.42Å; I40-L46 HydrophobicContact CG1-CD1 3.5Å |
| 41 | I | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.1 | 172.1 | -178.2 | 163.4 | 0 | 0 | 0 | 110.7 | L30 K45 F47 M322 T325 L326 L329 | L30-I41 HydrophobicContact CD2-CB 3.72Å; L30-I41 HydrophobicContact CD2-CD1 4.03Å; L30-I41 HydrophobicContact CD2-CG1 3.93Å; I41-K45 HydrophobicContact CG2-CB 3.65Å; I41-K45 HydrophobicContact CG2-CD 4.48Å; I41-K45 PolarHBondContact N-O 2.86Å; I41-F47 HydrophobicContact CG2-CD2 4.11Å; I41-F47 HydrophobicContact CG2-CE2 3.71Å; I41-M322 HydrophobicContact CD1-CG 3.81Å; I41-M322 HydrophobicContact CG1-CE 3.85Å; I41-M322 HydrophobicContact CG1-CG 3.87Å; I41-T325 HydrophobicContact CD1-CG2 3.63Å; I41-L326 HydrophobicContact CD1-CB 4.04Å; I41-L326 HydrophobicContact CG2-CD1 3.9Å; I41-L329 HydrophobicContact CB-CD1 4.25Å; I41-L329 HydrophobicContact CD1-CD1 4.08Å; I41-L329 HydrophobicContact CG2-CD1 4.08Å |
| 42 | G | 85.7 | Confident | 85.4 | Confident | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | -132.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111 | C29 | C29-G42 PolarHBondContact O-N 3.07Š|
| 43 | N | 78.4 | Confident | 85.8 | Confident | 165 Ų | 165 | 62 Ų | 62 | 88% | 0.882 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -21.3 | -169.8 | -61.8 | -6.5 | 0 | 0 | 0 | 114.2 | ||
| 44 | D | 81.6 | Confident | 86.2 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | -19 | -160.9 | 67 | -38 | 0 | 0 | 0 | 115.5 | L46 | D44-L46 PolarHBondContact O-N 3.49Š|
| 45 | K | 89.2 | Confident | 87.4 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 89.1 | -169.6 | -70.3 | 151.1 | -163 | 156.3 | 0 | 111.9 | I40 I41 F47 L326 | I40-K45 WeakPolarHBondContact CA-O 3.49Å; I41-K45 HydrophobicContact CG2-CB 3.65Å; I41-K45 HydrophobicContact CG2-CD 4.48Å; I41-K45 PolarHBondContact N-O 2.86Å; K45-F47 HydrophobicContact CB-CE2 4Å; K45-L326 HydrophobicContact CD-CD1 4.13Å; K45-L326 HydrophobicContact CD-CD2 4.36Å |
| 46 | L | 90 | Very high | 88.5 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 131.6 | 171.2 | -174.1 | 68.8 | 0 | 0 | 0 | 111.3 | Q38 I40 D44 | Q38-L46 HydrophobicContact CB-CD1 4.04Å; I40-L46 HydrophobicContact CD1-CD1 4.23Å; I40-L46 HydrophobicContact CG1-CB 4.42Å; I40-L46 HydrophobicContact CG1-CD1 3.5Å; D44-L46 PolarHBondContact O-N 3.49Å |
| 47 | F | 92.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.5 | 169.1 | -66.1 | -92.1 | 0 | 0 | 0 | 110 | Q38 L39 I41 K45 F49 L326 L329 R330 D333 | Q38-F47 CarbonylContact C-O 3.16Å; Q38-F47 VanDerWaalsContact CA-O 3.23Å; Q38-F47 WeakPolarHBondContact CA-O 3.49Å; L39-F47 HydrophobicContact CD1-CB 4.17Å; L39-F47 HydrophobicContact CD1-CD2 4.28Å; L39-F47 HydrophobicContact CG-CB 4.38Å; L39-F47 PolarHBondContact N-O 3.21Å; L39-F47 PolarHBondContact O-N 3.37Å; I41-F47 HydrophobicContact CG2-CD2 4.11Å; I41-F47 HydrophobicContact CG2-CE2 3.71Å; K45-F47 HydrophobicContact CB-CE2 4Å; F47-F49 HydrophobicContact CB-CD2 4.35Å; F47-F49 HydrophobicContact CB-CE2 3.39Å; F47-F49 HydrophobicContact CB-CZ 3.73Å; F47-F49 HydrophobicContact CD1-CZ 4.26Å; F47-F49 HydrophobicContact CG-CE2 4.31Å; F47-F49 HydrophobicContact CG-CZ 4.27Å; F47-L326 HydrophobicContact CE2-CD1 3.74Å; F47-L326 HydrophobicContact CZ-CD1 3.73Å; F47-L329 HydrophobicContact CD1-CB 4.34Å; F47-L329 HydrophobicContact CD2-CB 4.24Å; F47-L329 HydrophobicContact CD2-CD1 4.16Å; F47-L329 HydrophobicContact CE1-CB 4.28Å; F47-L329 HydrophobicContact CE2-CB 4.17Å; F47-L329 HydrophobicContact CE2-CD1 4.29Å; F47-L329 HydrophobicContact CG-CB 4.32Å; F47-L329 HydrophobicContact CZ-CB 4.2Å; F47-R330 HydrophobicContact CE1-CG 4.01Å; F47-R330 HydrophobicContact CZ-CG 3.88Å; F47-D333 HydrophobicContact CD1-CB 4.32Å |
| 48 | G | 90.5 | Very high | 89.8 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N37 R336 | N37-G48 WeakPolarHBondContact O-CA 3.4Å; G48-R336 PolarHBondContact O-NH1 3.26Å; G48-R336 PolarHBondContact O-NH2 3.13Å; G48-R336 VanDerWaalsContact O-NH2 3.1Å |
| 49 | F | 93.8 | Very high | 90 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | trans | -135.2 | 170.4 | -173.7 | -61.2 | -76.2 | 0 | 0 | 0 | 111.4 | V10 V12 N37 L39 F47 Y51 V52 L329 A332 D333 | V10-F49 HydrophobicContact CB-CD1 4.19Å; V10-F49 HydrophobicContact CG1-CD1 3.52Å; V10-F49 HydrophobicContact CG1-CE1 4.06Å; V10-F49 HydrophobicContact CG1-CG 4.39Å; V12-F49 HydrophobicContact CB-CD2 4.32Å; V12-F49 HydrophobicContact CG2-CB 4.39Å; V12-F49 HydrophobicContact CG2-CD1 4.01Å; V12-F49 HydrophobicContact CG2-CD2 3.4Å; V12-F49 HydrophobicContact CG2-CE1 4.11Å; V12-F49 HydrophobicContact CG2-CE2 3.52Å; V12-F49 HydrophobicContact CG2-CG 3.65Å; V12-F49 HydrophobicContact CG2-CZ 3.87Å; N37-F49 WeakPolarHBondContact CB-O 3.14Å; N37-F49 PolarHBondContact O-N 3.08Å; L39-F49 HydrophobicContact CD1-CE2 4.48Å; L39-F49 HydrophobicContact CD2-CD2 3.89Å; L39-F49 HydrophobicContact CD2-CE2 3.76Å; L39-F49 HydrophobicContact CG-CD2 4.42Å; L39-F49 HydrophobicContact CG-CE2 4.11Å; F47-F49 HydrophobicContact CB-CD2 4.35Å; F47-F49 HydrophobicContact CB-CE2 3.39Å; F47-F49 HydrophobicContact CB-CZ 3.73Å; F47-F49 HydrophobicContact CD1-CZ 4.26Å; F47-F49 HydrophobicContact CG-CE2 4.31Å; F47-F49 HydrophobicContact CG-CZ 4.27Å; F49-Y51 VanDerWaalsContact C-N 3.28Å; F49-V52 HydrophobicContact CB-CG2 4.26Å; F49-V52 HydrophobicContact CD2-CG2 4.21Å; F49-L329 HydrophobicContact CE2-CD2 3.76Å; F49-L329 HydrophobicContact CZ-CB 4.38Å; F49-L329 HydrophobicContact CZ-CD2 3.86Å; F49-A332 HydrophobicContact CD1-CB 4.47Å; F49-A332 HydrophobicContact CE1-CB 3.71Å; F49-A332 HydrophobicContact CZ-CB 4.3Å; F49-D333 HydrophobicContact CE1-CB 4.19Å | ||
| 50 | D | 93 | Very high | 90.1 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -68.2 | -33.8 | 176.7 | -55.3 | -80.2 | 0 | 0 | 0 | 111.3 | V10 N37 | V10-D50 PolarHBondContact N-OD2 3.1Å; V10-D50 WeakPolarHBondContact O-CB 3.46Å; V10-D50 PolarHBondContact O-N 2.91Å; V10-D50 VanDerWaalsContact O-N 3.09Å; N37-D50 PolarHBondContact ND2-O 3.31Å; N37-D50 VanDerWaalsContact ND2-O 3.14Å |
| 51 | Y | 93.3 | Very high | 90.3 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.9 | 174.7 | -45.3 | -77.6 | 0 | 0 | 0 | 110.3 | K9 V10 G11 V12 F49 F53 K65 A66 L310 | K9-Y51 HydrophobicContact CD-CE2 4.29Å; K9-Y51 PolarHBondContact NZ-OH 3.22Å; V10-Y51 PolarHBondContact O-N 3.4Å; G11-Y51 CarbonylContact C-O 3.56Å; G11-Y51 VanDerWaalsContact CA-O 3.32Å; G11-Y51 WeakPolarHBondContact CA-O 3.48Å; V12-Y51 PolarHBondContact N-O 3.43Å; F49-Y51 VanDerWaalsContact C-N 3.28Å; Y51-F53 HydrophobicContact CG-CE2 4.35Å; Y51-F53 HydrophobicContact CG-CZ 4.3Å; Y51-K65 HydrophobicContact CD1-CD 4.02Å; Y51-K65 HydrophobicContact CD1-CG 3.84Å; Y51-K65 HydrophobicContact CE1-CG 4.04Å; Y51-K65 WeakPolarHBondContact CE1-O 3.48Å; Y51-A66 HydrophobicContact CD2-CB 4.09Å; Y51-A66 HydrophobicContact CE2-CB 4.23Å; Y51-A66 HydrophobicContact CG-CB 4.43Å; Y51-L310 HydrophobicContact CD2-CD1 4.48Å; Y51-L310 HydrophobicContact CE2-CD1 4.36Å |
| 52 | V | 93.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126 | 164.3 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | Y32 N37 L39 F49 | Y32-V52 HydrophobicContact CD1-CG1 3.92Å; Y32-V52 HydrophobicContact CE1-CG1 3.96Å; N37-V52 VanDerWaalsContact C-CG2 3.46Å; N37-V52 HydrophobicContact CB-CG2 4.23Å; N37-V52 WeakPolarHBondContact O-CG2 3.25Å; L39-V52 HydrophobicContact CD2-CG1 4.18Å; L39-V52 HydrophobicContact CD2-CG2 4.09Å; F49-V52 HydrophobicContact CB-CG2 4.26Å; F49-V52 HydrophobicContact CD2-CG2 4.21Å |
| 53 | F | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123 | 178.5 | -59.9 | -73.9 | 0 | 0 | 0 | 109.8 | V12 R13 V14 Y51 D57 Y61 V62 K65 A66 | V12-F53 WeakPolarHBondContact O-CD2 3.31Å; V12-F53 PolarHBondContact O-N 3.44Å; R13-F53 HydrophobicContact CB-CB 4.25Å; R13-F53 HydrophobicContact CB-CD2 4.47Å; R13-F53 HydrophobicContact CG-CB 4.06Å; V14-F53 PolarHBondContact N-O 2.88Å; Y51-F53 HydrophobicContact CG-CE2 4.35Å; Y51-F53 HydrophobicContact CG-CZ 4.3Å; F53-D57 WeakPolarHBondContact CA-OD2 3.27Å; F53-D57 HydrophobicContact CB-CB 4.28Å; F53-D57 HydrophobicContact CD1-CB 4.47Å; F53-Y61 AromaticContact CD1-CD1 3.88Å; F53-Y61 HydrophobicContact CD1-CD1 3.88Å; F53-Y61 AromaticContact CD1-CE1 3.84Å; F53-Y61 HydrophobicContact CD1-CE1 3.84Å; F53-Y61 AromaticContact CE1-CD1 3.91Å; F53-Y61 HydrophobicContact CE1-CD1 3.91Å; F53-Y61 AromaticContact CE1-CE1 3.83Å; F53-Y61 HydrophobicContact CE1-CE1 3.83Å; F53-V62 HydrophobicContact CB-CG2 4.12Å; F53-V62 HydrophobicContact CD1-CB 4.38Å; F53-V62 HydrophobicContact CD1-CG2 3.71Å; F53-V62 HydrophobicContact CD2-CG1 4.21Å; F53-V62 HydrophobicContact CD2-CG2 4.29Å; F53-V62 HydrophobicContact CE1-CB 4.29Å; F53-V62 HydrophobicContact CE1-CG2 4.1Å; F53-V62 HydrophobicContact CE2-CG1 4.05Å; F53-V62 HydrophobicContact CG-CG2 3.8Å; F53-V62 HydrophobicContact CZ-CB 4.43Å; F53-V62 HydrophobicContact CZ-CG1 4.21Å; F53-K65 HydrophobicContact CE1-CB 3.9Å; F53-K65 HydrophobicContact CE1-CD 3.57Å; F53-K65 HydrophobicContact CE1-CG 4.27Å; F53-K65 HydrophobicContact CZ-CB 3.99Å; F53-K65 HydrophobicContact CZ-CD 3.99Å; F53-K65 HydrophobicContact CZ-CG 4.35Å; F53-A66 HydrophobicContact CE2-CB 4.04Å; F53-A66 HydrophobicContact CZ-CB 3.88Å |
| 54 | K | 91.2 | Very high | 91.6 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | trans | -81.6 | 169.5 | -176.8 | -56.7 | -174.5 | -178.7 | -177.8 | 0 | 110.8 | Y32 T56 D57 | Y32-K54 HydrophobicContact CD1-CD 4.48Å; Y32-K54 HydrophobicContact CD1-CG 4.06Å; Y32-K54 HydrophobicContact CD2-CD 4.01Å; Y32-K54 HydrophobicContact CD2-CG 4.18Å; Y32-K54 HydrophobicContact CE1-CG 3.95Å; Y32-K54 HydrophobicContact CE2-CB 4.38Å; Y32-K54 HydrophobicContact CE2-CD 4.3Å; Y32-K54 HydrophobicContact CE2-CG 4.08Å; Y32-K54 HydrophobicContact CG-CD 4.12Å; Y32-K54 HydrophobicContact CG-CG 4.17Å; K54-T56 PolarHBondContact O-N 2.94Å; K54-T56 VanDerWaalsContact O-N 3.12Å; K54-D57 PolarHBondContact N-OD2 3.2Å; K54-D57 WeakPolarHBondContact O-CB 3.33Å; K54-D57 PolarHBondContact O-N 3.4Å | ||
| 55 | E | 90.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.3 | 178.4 | -55.2 | 82.2 | 179.2 | 0 | 0 | 112.6 | V14 P16 Y32 P317 | V14-E55 HydrophobicContact CB-CG 4.44Å; V14-E55 HydrophobicContact CG1-CG 3.97Å; V14-E55 WeakPolarHBondContact CG1-OE1 3.42Å; P16-E55 HydrophobicContact CG-CB 4.33Å; Y32-E55 WeakPolarHBondContact CE2-OE2 3.31Å; Y32-E55 PolarHBondContact OH-OE1 3.48Å; Y32-E55 PolarHBondContact OH-OE2 3.15Å; E55-P317 HydrophobicContact CG-CG 4.49Å |
| 56 | T | 88.8 | Confident | 92.2 | Very high | 121 Ų | 121 | 46.8 Ų | 46.8 | 74% | 0.742 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.6 | 179 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | K54 S58 | K54-T56 PolarHBondContact O-N 2.94Å; K54-T56 VanDerWaalsContact O-N 3.12Å; T56-S58 PolarHBondContact O-N 3.34Å |
| 57 | D | 91.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | trans | -81.3 | 121.8 | -171 | -71.3 | -21.6 | 0 | 0 | 0 | 112.6 | R13 F53 K54 Y61 V62 | R13-D57 PolarHBondContact NH2-O 2.87Å; F53-D57 WeakPolarHBondContact CA-OD2 3.27Å; F53-D57 HydrophobicContact CB-CB 4.28Å; F53-D57 HydrophobicContact CD1-CB 4.47Å; K54-D57 PolarHBondContact N-OD2 3.2Å; K54-D57 WeakPolarHBondContact O-CB 3.33Å; K54-D57 PolarHBondContact O-N 3.4Å; D57-Y61 HydrophobicContact CB-CD1 4.01Å; D57-V62 HydrophobicContact CB-CG2 4.41Å | ||
| 58 | S | 91.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 44% | 0.441 | 21% | 0.213 | S | C | . | . | trans | -67.4 | 156.6 | -176.5 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | T56 E60 Y61 V62 | T56-S58 PolarHBondContact O-N 3.34Å; S58-E60 PolarHBondContact O-N 3.29Å; S58-Y61 PolarHBondContact O-N 2.96Å; S58-Y61 VanDerWaalsContact O-N 3.12Å; S58-Y61 PolarHBondContact OG-N 2.81Å; S58-Y61 VanDerWaalsContact OG-N 3.15Å; S58-V62 WeakPolarHBondContact O-CG2 3.42Å; S58-V62 PolarHBondContact O-N 2.98Å | ||
| 59 | Q | 92.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.9 | -41.1 | 173 | -65.2 | -82.5 | 64.5 | 0 | 0 | 112.1 | R13 Y63 Y94 S108 A109 | R13-Q59 VanDerWaalsContact CZ-OE1 3.3Å; Q59-Y63 VanDerWaalsContact O-CB 3.29Å; Q59-Y63 WeakPolarHBondContact O-CB 3.3Å; Q59-Y63 PolarHBondContact O-N 2.85Å; Q59-Y94 VanDerWaalsContact CD-CE1 3.49Å; Q59-Y94 HydrophobicContact CG-CE1 4.11Å; Q59-Y94 PolarHBondContact NE2-O 3.31Å; Q59-S108 PolarHBondContact NE2-O 2.7Å; Q59-A109 VanDerWaalsContact CB-O 3.31Å; Q59-A109 WeakPolarHBondContact CB-O 3.28Å |
| 60 | E | 92.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 44.2 Ų | 44.2 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 179.2 | -169.8 | -171.6 | 149.1 | 0 | 0 | 112.6 | S58 Y63 R64 | S58-E60 PolarHBondContact O-N 3.29Å; E60-Y63 PolarHBondContact O-N 3.49Å; E60-R64 VanDerWaalsContact O-CB 3.29Å; E60-R64 WeakPolarHBondContact O-CB 3.39Å; E60-R64 PolarHBondContact O-N 3.31Å |
| 61 | Y | 93.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.2 | -179.3 | -98.3 | 0 | 0 | 0 | 111.6 | F53 D57 S58 R64 K65 | F53-Y61 AromaticContact CD1-CD1 3.88Å; F53-Y61 HydrophobicContact CD1-CD1 3.88Å; F53-Y61 AromaticContact CD1-CE1 3.84Å; F53-Y61 HydrophobicContact CD1-CE1 3.84Å; F53-Y61 AromaticContact CE1-CD1 3.91Å; F53-Y61 HydrophobicContact CE1-CD1 3.91Å; F53-Y61 AromaticContact CE1-CE1 3.83Å; F53-Y61 HydrophobicContact CE1-CE1 3.83Å; D57-Y61 HydrophobicContact CB-CD1 4.01Å; S58-Y61 PolarHBondContact O-N 2.96Å; S58-Y61 VanDerWaalsContact O-N 3.12Å; S58-Y61 PolarHBondContact OG-N 2.81Å; S58-Y61 VanDerWaalsContact OG-N 3.15Å; Y61-R64 PolarHBondContact O-N 3.01Å; Y61-K65 HydrophobicContact CE1-CD 3.88Å; Y61-K65 WeakPolarHBondContact O-CB 3.32Å; Y61-K65 PolarHBondContact O-N 3.16Å; Y61-K65 PolarHBondContact OH-NZ 2.88Å; Y61-K65 VanDerWaalsContact OH-NZ 3.11Å |
| 62 | V | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -49 | 175 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | F53 D57 S58 A66 I111 | F53-V62 HydrophobicContact CB-CG2 4.12Å; F53-V62 HydrophobicContact CD1-CB 4.38Å; F53-V62 HydrophobicContact CD1-CG2 3.71Å; F53-V62 HydrophobicContact CD2-CG1 4.21Å; F53-V62 HydrophobicContact CD2-CG2 4.29Å; F53-V62 HydrophobicContact CE1-CB 4.29Å; F53-V62 HydrophobicContact CE1-CG2 4.1Å; F53-V62 HydrophobicContact CE2-CG1 4.05Å; F53-V62 HydrophobicContact CG-CG2 3.8Å; F53-V62 HydrophobicContact CZ-CB 4.43Å; F53-V62 HydrophobicContact CZ-CG1 4.21Å; D57-V62 HydrophobicContact CB-CG2 4.41Å; S58-V62 WeakPolarHBondContact O-CG2 3.42Å; S58-V62 PolarHBondContact O-N 2.98Å; V62-A66 PolarHBondContact O-N 2.95Å; V62-A66 VanDerWaalsContact O-N 3.08Å; V62-I111 HydrophobicContact CG1-CD1 4.14Å |
| 63 | Y | 94.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -56.6 | -54.4 | 176.6 | 170.2 | -107.9 | 0 | 0 | 0 | 112.1 | Q59 E60 K65 A67 L68 I111 R114 I115 D118 | Q59-Y63 VanDerWaalsContact O-CB 3.29Å; Q59-Y63 WeakPolarHBondContact O-CB 3.3Å; Q59-Y63 PolarHBondContact O-N 2.85Å; E60-Y63 PolarHBondContact O-N 3.49Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.47Å; Y63-A67 HydrophobicContact CD2-CB 3.74Å; Y63-A67 HydrophobicContact CE2-CB 4.05Å; Y63-A67 PolarHBondContact O-N 3.34Å; Y63-L68 HydrophobicContact CE1-CB 4.42Å; Y63-L68 HydrophobicContact CE1-CD1 4.25Å; Y63-L68 PolarHBondContact O-N 3.41Å; Y63-L68 WeakPolarHBondContact OH-CD1 3.44Å; Y63-I111 HydrophobicContact CD2-CG2 4.39Å; Y63-R114 HydrophobicContact CD1-CB 3.81Å; Y63-R114 HydrophobicContact CD1-CG 4.36Å; Y63-R114 HydrophobicContact CD2-CB 3.7Å; Y63-R114 HydrophobicContact CE1-CB 3.87Å; Y63-R114 HydrophobicContact CE2-CB 3.81Å; Y63-R114 HydrophobicContact CG-CB 3.73Å; Y63-R114 HydrophobicContact CG-CG 4.36Å; Y63-I115 HydrophobicContact CD2-CG1 4.25Å; Y63-I115 HydrophobicContact CE2-CB 4.4Å; Y63-I115 HydrophobicContact CE2-CG1 3.59Å; Y63-D118 WeakPolarHBondContact CE1-OD2 3.46Å; Y63-D118 VanDerWaalsContact OH-CB 3.24Å; Y63-D118 WeakPolarHBondContact OH-CB 3.46Å; Y63-D118 PolarHBondContact OH-OD2 3Å |
| 64 | R | 93.2 | Very high | 91.7 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 54% | 0.543 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -63.1 | -34.7 | -175.8 | -171.5 | 176.4 | 68.3 | -173.9 | 1.2 | 113.1 | E60 Y61 L68 | E60-R64 VanDerWaalsContact O-CB 3.29Å; E60-R64 WeakPolarHBondContact O-CB 3.39Å; E60-R64 PolarHBondContact O-N 3.31Å; Y61-R64 PolarHBondContact O-N 3.01Å; R64-L68 HydrophobicContact CG-CD2 3.93Å |
| 65 | K | 91.7 | Very high | 91.7 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 27% | 0.27 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -84 | -39.9 | -176.6 | -164.8 | -175.2 | -169.4 | 177.4 | 0 | 113.2 | Y51 F53 Y61 Y63 | Y51-K65 HydrophobicContact CD1-CD 4.02Å; Y51-K65 HydrophobicContact CD1-CG 3.84Å; Y51-K65 HydrophobicContact CE1-CG 4.04Å; Y51-K65 WeakPolarHBondContact CE1-O 3.48Å; F53-K65 HydrophobicContact CE1-CB 3.9Å; F53-K65 HydrophobicContact CE1-CD 3.57Å; F53-K65 HydrophobicContact CE1-CG 4.27Å; F53-K65 HydrophobicContact CZ-CB 3.99Å; F53-K65 HydrophobicContact CZ-CD 3.99Å; F53-K65 HydrophobicContact CZ-CG 4.35Å; Y61-K65 HydrophobicContact CE1-CD 3.88Å; Y61-K65 WeakPolarHBondContact O-CB 3.32Å; Y61-K65 PolarHBondContact O-N 3.16Å; Y61-K65 PolarHBondContact OH-NZ 2.88Å; Y61-K65 VanDerWaalsContact OH-NZ 3.11Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.47Å |
| 66 | A | 90.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -105.7 | -45.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y51 F53 V62 L310 L312 | Y51-A66 HydrophobicContact CD2-CB 4.09Å; Y51-A66 HydrophobicContact CE2-CB 4.23Å; Y51-A66 HydrophobicContact CG-CB 4.43Å; F53-A66 HydrophobicContact CE2-CB 4.04Å; F53-A66 HydrophobicContact CZ-CB 3.88Å; V62-A66 PolarHBondContact O-N 2.95Å; V62-A66 VanDerWaalsContact O-N 3.08Å; A66-L310 HydrophobicContact CB-CD2 3.92Å; A66-L310 WeakPolarHBondContact O-CD2 3.49Å; A66-L312 HydrophobicContact CB-CD2 4.42Å |
| 67 | A | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -91.6 | -37.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y63 P69 M70 L82 I111 I115 | Y63-A67 HydrophobicContact CD2-CB 3.74Å; Y63-A67 HydrophobicContact CE2-CB 4.05Å; Y63-A67 PolarHBondContact O-N 3.34Å; A67-P69 VanDerWaalsContact C-CD 3.43Å; A67-M70 VanDerWaalsContact O-CB 3.25Å; A67-M70 WeakPolarHBondContact O-CB 3.44Å; A67-M70 PolarHBondContact O-N 2.93Å; A67-L82 HydrophobicContact CB-CD1 3.81Å; A67-I111 HydrophobicContact CB-CG2 3.81Å; A67-I115 HydrophobicContact CB-CD1 4.24Å; A67-I115 HydrophobicContact CB-CG1 4.4Å |
| 68 | L | 93.5 | Very high | 91.6 | Very high | 35 Ų | 35 | 37.5 Ų | 37.5 | 18% | 0.183 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.4 | -40.2 | -179.8 | -178.6 | 62.8 | 0 | 0 | 0 | 114.5 | Y63 R64 M70 V71 D118 | Y63-L68 HydrophobicContact CE1-CB 4.42Å; Y63-L68 HydrophobicContact CE1-CD1 4.25Å; Y63-L68 PolarHBondContact O-N 3.41Å; Y63-L68 WeakPolarHBondContact OH-CD1 3.44Å; R64-L68 HydrophobicContact CG-CD2 3.93Å; L68-M70 PolarHBondContact O-N 3.41Å; L68-M70 VanDerWaalsContact O-N 3.16Å; L68-V71 HydrophobicContact CD1-CG2 4.48Å; L68-V71 VanDerWaalsContact O-CB 3.32Å; L68-V71 WeakPolarHBondContact O-CB 3.37Å; L68-V71 PolarHBondContact O-N 3.28Å; L68-V71 VanDerWaalsContact O-N 3.12Å; L68-D118 WeakPolarHBondContact CD1-OD2 3.42Å |
| 69 | P | 91.1 | Very high | 91.7 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 31% | 0.305 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.5 | -21.8 | 175.4 | -24.4 | 35.7 | 0 | 0 | 0 | 114.4 | A67 | A67-P69 VanDerWaalsContact C-CD 3.43Å |
| 70 | M | 90.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.069 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.7 | -31.9 | 177.5 | -55.2 | 176.2 | 65.3 | 0 | 0 | 111.6 | A67 L68 E72 N73 I74 A80 T81 L82 L310 | A67-M70 VanDerWaalsContact O-CB 3.25Å; A67-M70 WeakPolarHBondContact O-CB 3.44Å; A67-M70 PolarHBondContact O-N 2.93Å; L68-M70 PolarHBondContact O-N 3.41Å; L68-M70 VanDerWaalsContact O-N 3.16Å; M70-E72 VanDerWaalsContact C-N 3.27Å; M70-E72 PolarHBondContact O-N 2.82Å; M70-N73 PolarHBondContact O-N 3.37Å; M70-N73 VanDerWaalsContact O-N 3.12Å; M70-I74 WeakPolarHBondContact O-CD1 3.4Å; M70-I74 VanDerWaalsContact O-CG1 3.28Å; M70-I74 WeakPolarHBondContact O-CG1 3.43Å; M70-I74 PolarHBondContact O-N 3.36Å; M70-A80 HydrophobicContact CB-CB 4.47Å; M70-A80 HydrophobicContact CE-CB 3.82Å; M70-T81 WeakPolarHBondContact CE-O 3.39Å; M70-L82 HydrophobicContact CE-CB 3.92Å; M70-L82 HydrophobicContact SD-CB 4.17Å; M70-L82 HydrophobicContact SD-CD1 4.07Å; M70-L82 HydrophobicContact SD-CG 4.43Å; M70-L310 HydrophobicContact CE-CB 4.1Å; M70-L310 HydrophobicContact SD-CB 3.57Å; M70-L310 VanDerWaalsContact SD-CB 3.57Å; M70-L310 HydrophobicContact SD-CD2 3.65Å; M70-L310 HydrophobicContact SD-CG 4.27Å |
| 71 | V | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56 | -44.6 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | L68 N73 I74 L75 I115 L119 K122 | L68-V71 HydrophobicContact CD1-CG2 4.48Å; L68-V71 VanDerWaalsContact O-CB 3.32Å; L68-V71 WeakPolarHBondContact O-CB 3.37Å; L68-V71 PolarHBondContact O-N 3.28Å; L68-V71 VanDerWaalsContact O-N 3.12Å; V71-N73 PolarHBondContact O-N 2.94Å; V71-I74 PolarHBondContact O-N 3.4Å; V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 VanDerWaalsContact O-CG 3.3Å; V71-L75 WeakPolarHBondContact O-CG 3.4Å; V71-L75 PolarHBondContact O-N 3.47Å; V71-I115 HydrophobicContact CG2-CG2 4.44Å; V71-L119 HydrophobicContact CG1-CD2 3.85Å; V71-L119 HydrophobicContact CG1-CG 4.05Å; V71-K122 HydrophobicContact CG1-CD 4.19Å |
| 72 | E | 89.7 | Confident | 92.1 | Very high | 79 Ų | 79 | 26.5 Ų | 26.5 | 37% | 0.369 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.2 | -34 | 177.9 | -63.4 | -176.4 | -164.9 | 0 | 0 | 113.6 | M70 K76 | M70-E72 VanDerWaalsContact C-N 3.27Å; M70-E72 PolarHBondContact O-N 2.82Å; E72-K76 WeakPolarHBondContact O-CB 3.5Å; E72-K76 VanDerWaalsContact O-CD 3.25Å; E72-K76 WeakPolarHBondContact O-CD 3.24Å; E72-K76 WeakPolarHBondContact O-CG 3.35Å; E72-K76 PolarHBondContact O-N 3.44Å; E72-K76 IonicContact OE2-NZ 2.89Å |
| 73 | N | 90 | Very high | 92.1 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 22% | 0.219 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 176.6 | -70 | -16.2 | 0 | 0 | 0 | 111.3 | M70 V71 K76 G77 Y78 | M70-N73 PolarHBondContact O-N 3.37Å; M70-N73 VanDerWaalsContact O-N 3.12Å; V71-N73 PolarHBondContact O-N 2.94Å; N73-K76 CarbonylContact O-C 3.52Å; N73-K76 PolarHBondContact O-N 3.15Å; N73-G77 PolarHBondContact O-N 3.3Å; N73-Y78 WeakPolarHBondContact O-CB 3.48Å; N73-Y78 PolarHBondContact O-N 2.98Å |
| 74 | I | 92 | Very high | 92.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65 | -45.8 | 178 | -63.2 | 154.9 | 0 | 0 | 0 | 110.7 | M70 V71 K76 G77 A80 L119 F214 A234 L236 | M70-I74 WeakPolarHBondContact O-CD1 3.4Å; M70-I74 VanDerWaalsContact O-CG1 3.28Å; M70-I74 WeakPolarHBondContact O-CG1 3.43Å; M70-I74 PolarHBondContact O-N 3.36Å; V71-I74 PolarHBondContact O-N 3.4Å; I74-K76 PolarHBondContact O-N 3.25Å; I74-G77 PolarHBondContact O-N 3.12Å; I74-A80 HydrophobicContact CD1-CB 4.01Å; I74-A80 HydrophobicContact CG1-CB 3.73Å; I74-L119 HydrophobicContact CB-CD2 4.39Å; I74-L119 HydrophobicContact CG2-CD2 4.07Å; I74-F214 HydrophobicContact CG2-CD2 3.47Å; I74-F214 VanDerWaalsContact CG2-CD2 3.47Å; I74-F214 HydrophobicContact CG2-CE2 3.47Å; I74-F214 VanDerWaalsContact CG2-CE2 3.47Å; I74-F214 HydrophobicContact CG2-CG 4.05Å; I74-F214 HydrophobicContact CG2-CZ 4.05Å; I74-A234 HydrophobicContact CG2-CB 4.23Å; I74-L236 HydrophobicContact CD1-CB 3.93Å; I74-L236 HydrophobicContact CD1-CD1 3.91Å; I74-L236 HydrophobicContact CD1-CD2 3.84Å; I74-L236 HydrophobicContact CD1-CG 4.08Å; I74-L236 HydrophobicContact CG1-CB 4.47Å |
| 75 | L | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64 | -21.8 | 177.8 | -66.8 | 170.4 | 0 | 0 | 0 | 112.8 | V71 L119 K122 M123 Y126 Y130 L216 | V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 VanDerWaalsContact O-CG 3.3Å; V71-L75 WeakPolarHBondContact O-CG 3.4Å; V71-L75 PolarHBondContact O-N 3.47Å; L75-L119 HydrophobicContact CD2-CD2 4.22Å; L75-L119 HydrophobicContact CG-CD2 4.26Å; L75-K122 HydrophobicContact CD1-CB 3.6Å; L75-K122 HydrophobicContact CD1-CD 4.34Å; L75-M123 HydrophobicContact CD2-CG 3.69Å; L75-Y126 HydrophobicContact CB-CD1 4.11Å; L75-Y126 HydrophobicContact CB-CD2 4.32Å; L75-Y126 HydrophobicContact CB-CE1 3.85Å; L75-Y126 HydrophobicContact CB-CE2 4.1Å; L75-Y126 HydrophobicContact CB-CG 4.34Å; L75-Y126 HydrophobicContact CD1-CD2 4.12Å; L75-Y126 HydrophobicContact CD1-CE2 3.63Å; L75-Y126 HydrophobicContact CG-CE2 4.43Å; L75-Y130 HydrophobicContact CD2-CD1 4.47Å; L75-Y130 HydrophobicContact CD2-CE1 3.72Å; L75-Y130 HydrophobicContact CD2-CE2 4.41Å; L75-Y130 PolarHBondContact O-OH 3.45Å; L75-L216 WeakPolarHBondContact O-CD2 3.29Å |
| 76 | K | 88.1 | Confident | 92.4 | Very high | 90 Ų | 90 | 17 Ų | 17 | 39% | 0.391 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.7 | 172.5 | -67.6 | 165.5 | -167.8 | 161.1 | 0 | 114 | E72 N73 I74 Y78 Y126 L344 | E72-K76 WeakPolarHBondContact O-CB 3.5Å; E72-K76 VanDerWaalsContact O-CD 3.25Å; E72-K76 WeakPolarHBondContact O-CD 3.24Å; E72-K76 WeakPolarHBondContact O-CG 3.35Å; E72-K76 PolarHBondContact O-N 3.44Å; E72-K76 IonicContact OE2-NZ 2.89Å; N73-K76 CarbonylContact O-C 3.52Å; N73-K76 PolarHBondContact O-N 3.15Å; I74-K76 PolarHBondContact O-N 3.25Å; K76-Y78 HydrophobicContact CB-CD2 4.02Å; K76-Y78 HydrophobicContact CB-CE2 4.2Å; K76-Y126 HydrophobicContact CG-CE1 4.3Å; K76-L344 WeakPolarHBondContact O-CD1 3.3Å |
| 77 | G | 88.9 | Confident | 92.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 15.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | N73 I74 N345 | N73-G77 PolarHBondContact O-N 3.3Å; I74-G77 PolarHBondContact O-N 3.12Å; G77-N345 PolarHBondContact O-N 3.47Å; G77-N345 PolarHBondContact O-ND2 3.4Å |
| 78 | Y | 91.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 20 Ų | 20 | 6% | 0.063 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -96.6 | 142.5 | 175.4 | -65.6 | -88.9 | 0 | 0 | 0 | 112 | M1 I3 N73 K76 P342 L344 | M1-Y78 PolarHBondContact O-OH 3.34Å; I3-Y78 HydrophobicContact CB-CE1 4.02Å; I3-Y78 HydrophobicContact CD1-CD1 3.9Å; I3-Y78 HydrophobicContact CD1-CD2 3.69Å; I3-Y78 HydrophobicContact CD1-CE1 3.88Å; I3-Y78 HydrophobicContact CD1-CE2 3.7Å; I3-Y78 HydrophobicContact CD1-CG 3.79Å; I3-Y78 HydrophobicContact CG1-CD1 4.4Å; I3-Y78 HydrophobicContact CG1-CD2 4.49Å; I3-Y78 HydrophobicContact CG1-CE1 3.9Å; I3-Y78 HydrophobicContact CG1-CE2 4.02Å; I3-Y78 PolarHBondContact N-OH 3.01Å; N73-Y78 WeakPolarHBondContact O-CB 3.48Å; N73-Y78 PolarHBondContact O-N 2.98Å; K76-Y78 HydrophobicContact CB-CD2 4.02Å; K76-Y78 HydrophobicContact CB-CE2 4.2Å; Y78-P342 HydrophobicContact CD1-CB 3.97Å; Y78-L344 HydrophobicContact CE1-CB 4.29Å; Y78-L344 HydrophobicContact CE2-CD1 4.3Å |
| 79 | N | 93.2 | Very high | 92 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | trans | -67.1 | 146.3 | 169.9 | -64.3 | -32.5 | 0 | 0 | 0 | 110.8 | K235 N306 A308 N345 | N79-K235 CarbonylContact C-O 3.38Å; N79-K235 WeakPolarHBondContact CA-O 3.39Å; N79-K235 PolarHBondContact OD1-N 3.38Å; N79-N306 VanDerWaalsContact CB-O 3.26Å; N79-N306 WeakPolarHBondContact CB-O 3.39Å; N79-N306 PolarHBondContact ND2-O 3.32Å; N79-A308 PolarHBondContact O-N 2.84Å; N79-N345 VanDerWaalsContact CG-ND2 3.31Å; N79-N345 PolarHBondContact ND2-ND2 3.19Å; N79-N345 PolarHBondContact ND2-OD1 2.75Å; N79-N345 PolarHBondContact OD1-ND2 2.62Å; N79-N345 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 80 | A | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M70 I74 K235 L236 H237 S307 A308 | M70-A80 HydrophobicContact CB-CB 4.47Å; M70-A80 HydrophobicContact CE-CB 3.82Å; I74-A80 HydrophobicContact CD1-CB 4.01Å; I74-A80 HydrophobicContact CG1-CB 3.73Å; A80-K235 PolarHBondContact N-O 3.05Å; A80-L236 HydrophobicContact CB-CD1 4.25Å; A80-L236 VanDerWaalsContact O-CA 3.31Å; A80-L236 WeakPolarHBondContact O-CA 3.46Å; A80-H237 PolarHBondContact O-N 2.83Å; A80-S307 VanDerWaalsContact C-OG 3.24Å; A80-S307 WeakPolarHBondContact CA-OG 3.25Å; A80-S307 PolarHBondContact N-OG 3.47Å; A80-A308 VanDerWaalsContact CA-O 3.26Å; A80-A308 WeakPolarHBondContact CA-O 3.46Å |
| 81 | T | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 123.3 | 176.2 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | M70 F83 H237 L299 S302 S307 A308 T309 L310 | M70-T81 WeakPolarHBondContact CE-O 3.39Å; T81-F83 HydrophobicContact CG2-CD1 4.22Å; T81-H237 CarbonylContact C-O 3.59Å; T81-H237 WeakPolarHBondContact CA-O 3.42Å; T81-H237 HydrophobicContact CG2-CB 3.99Å; T81-L299 HydrophobicContact CG2-CD2 4.4Å; T81-S302 WeakPolarHBondContact CG2-OG 3.39Å; T81-S302 WeakPolarHBondContact OG1-CB 3.34Å; T81-S302 PolarHBondContact OG1-OG 3.14Å; T81-S307 PolarHBondContact N-OG 2.95Å; T81-S307 PolarHBondContact OG1-OG 2.8Å; T81-A308 PolarHBondContact N-O 2.72Å; T81-T309 HydrophobicContact CG2-CG2 4.37Å; T81-T309 CarbonylContact O-C 3.55Å; T81-T309 VanDerWaalsContact O-CA 3.3Å; T81-T309 WeakPolarHBondContact O-CA 3.41Å; T81-L310 PolarHBondContact O-N 3.32Å |
| 82 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.6 | 171.1 | -171 | 163.3 | 0 | 0 | 0 | 108.3 | A67 M70 M96 I111 I115 H237 L238 V239 L310 L312 | A67-L82 HydrophobicContact CB-CD1 3.81Å; M70-L82 HydrophobicContact CE-CB 3.92Å; M70-L82 HydrophobicContact SD-CB 4.17Å; M70-L82 HydrophobicContact SD-CD1 4.07Å; M70-L82 HydrophobicContact SD-CG 4.43Å; L82-M96 HydrophobicContact CD2-CE 3.93Å; L82-M96 HydrophobicContact CD2-SD 3.49Å; L82-M96 WeakPolarHBondContact CD2-SD 3.44Å; L82-I111 HydrophobicContact CD1-CG2 3.73Å; L82-I115 HydrophobicContact CD1-CD1 4.12Å; L82-H237 PolarHBondContact N-O 3.47Å; L82-L238 HydrophobicContact CB-CD2 3.99Å; L82-L238 WeakPolarHBondContact O-CA 3.45Å; L82-V239 PolarHBondContact O-N 3.39Å; L82-L310 WeakPolarHBondContact CA-O 3.27Å; L82-L310 HydrophobicContact CD1-CD2 3.83Å; L82-L310 HydrophobicContact CG-CB 4.5Å; L82-L310 HydrophobicContact CG-CD2 4Å; L82-L310 HydrophobicContact CG-CG 4.39Å; L82-L312 HydrophobicContact CD2-CD1 3.94Å; L82-L312 HydrophobicContact CD2-CG 4.43Å; L82-L312 HydrophobicContact CG-CD1 4.45Å |
| 83 | F | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.8 | 177.8 | 69.2 | -92.8 | 0 | 0 | 0 | 112.9 | T81 V239 L241 L303 T309 L310 M311 L312 | T81-F83 HydrophobicContact CG2-CD1 4.22Å; F83-V239 CarbonylContact C-O 3.6Å; F83-V239 WeakPolarHBondContact CA-O 3.43Å; F83-V239 HydrophobicContact CB-CB 3.66Å; F83-V239 HydrophobicContact CB-CG1 4.12Å; F83-V239 HydrophobicContact CB-CG2 4.39Å; F83-L241 HydrophobicContact CD2-CD1 3.88Å; F83-L303 HydrophobicContact CE1-CD2 4.12Å; F83-L303 HydrophobicContact CZ-CD2 4.23Å; F83-T309 HydrophobicContact CD1-CG2 4Å; F83-T309 HydrophobicContact CE1-CG2 3.62Å; F83-L310 PolarHBondContact N-O 3.22Å; F83-M311 HydrophobicContact CD2-CB 4.5Å; F83-M311 HydrophobicContact CD2-CG 4.15Å; F83-M311 HydrophobicContact CE1-CB 4.07Å; F83-M311 HydrophobicContact CE2-CB 3.86Å; F83-M311 HydrophobicContact CE2-CG 3.49Å; F83-M311 VanDerWaalsContact CE2-CG 3.49Å; F83-M311 HydrophobicContact CE2-SD 3.93Å; F83-M311 HydrophobicContact CZ-CB 3.62Å; F83-M311 HydrophobicContact CZ-CG 3.75Å; F83-M311 HydrophobicContact CZ-SD 4.11Å; F83-L312 PolarHBondContact O-N 2.91Å |
| 84 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K92 M96 V239 L241 L312 | A84-K92 HydrophobicContact CB-CB 4.05Å; A84-K92 HydrophobicContact CB-CG 4.32Å; A84-M96 HydrophobicContact CB-CG 3.87Å; A84-M96 HydrophobicContact CB-SD 4.07Å; A84-V239 PolarHBondContact N-O 3.46Å; A84-L241 VanDerWaalsContact O-CB 3.32Å; A84-L241 WeakPolarHBondContact O-CB 3.44Å; A84-L241 WeakPolarHBondContact O-CG 2.89Å; A84-L241 PolarHBondContact O-N 2.91Å; A84-L312 CarbonylContact C-O 3.51Å; A84-L312 WeakPolarHBondContact CA-O 3.29Å |
| 85 | Y | 95.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 22 Ų | 22 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148.6 | -176.8 | 179 | -82.1 | 0 | 0 | 0 | 110.9 | L241 S244 L267 M311 L312 A313 C314 T328 Y331 | Y85-L241 HydrophobicContact CD2-CD1 3.81Å; Y85-L241 HydrophobicContact CG-CD1 4.47Å; Y85-S244 VanDerWaalsContact CZ-CB 3.46Å; Y85-S244 WeakPolarHBondContact OH-CB 3.35Å; Y85-L267 HydrophobicContact CD2-CD2 4.42Å; Y85-L267 HydrophobicContact CE2-CD2 4.12Å; Y85-M311 HydrophobicContact CD1-CE 3.65Å; Y85-M311 HydrophobicContact CG-CE 3.76Å; Y85-L312 PolarHBondContact N-O 3.27Å; Y85-A313 CarbonylContact O-C 3.55Å; Y85-A313 WeakPolarHBondContact O-CA 3.31Å; Y85-C314 PolarHBondContact O-N 3.44Å; Y85-T328 HydrophobicContact CD1-CG2 3.99Å; Y85-T328 HydrophobicContact CE1-CG2 4.17Å; Y85-Y331 HydrophobicContact CD1-CD1 4.21Å; Y85-Y331 HydrophobicContact CD2-CD1 4.46Å; Y85-Y331 AromaticContact CD2-CE1 3.98Å; Y85-Y331 HydrophobicContact CD2-CE1 3.98Å; Y85-Y331 AromaticContact CE1-CD1 3.97Å; Y85-Y331 HydrophobicContact CE1-CD1 3.97Å; Y85-Y331 HydrophobicContact CE1-CD2 4.33Å; Y85-Y331 HydrophobicContact CE1-CE1 4.39Å; Y85-Y331 AromaticContact CE1-CG 3.92Å; Y85-Y331 HydrophobicContact CE1-CG 3.92Å; Y85-Y331 HydrophobicContact CE2-CD1 4.18Å; Y85-Y331 HydrophobicContact CE2-CD2 4.25Å; Y85-Y331 AromaticContact CE2-CE1 3.79Å; Y85-Y331 HydrophobicContact CE2-CE1 3.79Å; Y85-Y331 AromaticContact CE2-CE2 3.89Å; Y85-Y331 HydrophobicContact CE2-CE2 3.89Å; Y85-Y331 HydrophobicContact CE2-CG 4.38Å; Y85-Y331 AromaticContact CE2-CZ 3.63Å; Y85-Y331 HydrophobicContact CG-CD1 4.48Å; Y85-Y331 HydrophobicContact CG-CE1 4.35Å; Y85-Y331 AromaticContact CZ-CD1 3.94Å; Y85-Y331 AromaticContact CZ-CD2 3.75Å; Y85-Y331 AromaticContact CZ-CE2 3.85Å; Y85-Y331 AromaticContact CZ-CG 3.79Å; Y85-Y331 AromaticContact CZ-CZ 3.98Å; Y85-Y331 WeakPolarHBondContact OH-CD2 3.38Å |
| 86 | G | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 140.9 | 178 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K92 S244 | G86-K92 WeakPolarHBondContact O-CE 3.38Å; G86-K92 PolarHBondContact O-NZ 3.02Å; G86-S244 WeakPolarHBondContact CA-OG 3.45Å; G86-S244 PolarHBondContact O-N 2.95Å; G86-S244 PolarHBondContact O-OG 3.43Å |
| 87 | Q | 91.8 | Very high | 92 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | trans | -64.4 | 161.5 | -178 | 66.1 | 174 | 94.7 | 0 | 0 | 113.8 | S90 K92 S244 E245 N321 E324 | Q87-S90 WeakPolarHBondContact O-CB 3.41Å; Q87-S90 PolarHBondContact O-N 3.11Å; Q87-S90 PolarHBondContact O-OG 3.41Å; Q87-K92 VanDerWaalsContact C-NZ 3.3Å; Q87-K92 PolarHBondContact O-NZ 2.91Å; Q87-S244 PolarHBondContact N-OG 3.02Å; Q87-E245 VanDerWaalsContact CA-OE2 3.24Å; Q87-E245 WeakPolarHBondContact CA-OE2 3.31Å; Q87-E245 HydrophobicContact CB-CB 4.28Å; Q87-N321 VanDerWaalsContact NE2-CG 3.35Å; Q87-N321 PolarHBondContact NE2-OD1 2.95Å; Q87-N321 PolarHBondContact OE1-OD1 2.83Å; Q87-E324 HydrophobicContact CB-CB 4.42Å | ||
| 88 | T | 89.5 | Confident | 91.3 | Very high | 50 Ų | 50 | 18.5 Ų | 18.5 | 31% | 0.307 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 140.5 | 165.7 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | S90 E245 | T88-S90 PolarHBondContact O-N 2.83Å; T88-E245 WeakPolarHBondContact CB-OE1 3.28Å; T88-E245 PolarHBondContact N-OE2 3.33Å; T88-E245 PolarHBondContact OG1-OE1 3.02Å; T88-E245 PolarHBondContact OG1-OE2 3.15Å |
| 89 | G | 88 | Confident | 90.2 | Very high | 52 Ų | 52 | 21.2 Ų | 21.2 | 54% | 0.536 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -4.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R15 G91 | R15-G89 WeakPolarHBondContact CD-O 3.38Å; R15-G89 PolarHBondContact NE-O 2.96Å; G89-G91 PolarHBondContact O-N 3.45Å; G89-G91 VanDerWaalsContact O-N 3.16Å |
| 90 | S | 91.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -74.1 | -0.1 | 179.7 | 77.4 | 0 | 0 | 0 | 0 | 115.5 | Q87 T88 C314 | Q87-S90 WeakPolarHBondContact O-CB 3.41Å; Q87-S90 PolarHBondContact O-N 3.11Å; Q87-S90 PolarHBondContact O-OG 3.41Å; T88-S90 PolarHBondContact O-N 2.83Å; S90-C314 WeakPolarHBondContact CB-O 3.43Å; S90-C314 WeakPolarHBondContact OG-CB 3.47Å; S90-C314 PolarHBondContact OG-O 3.08Å |
| 91 | G | 90.8 | Very high | 86.2 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 92 | 16.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G89 Y94 T95 | G89-G91 PolarHBondContact O-N 3.45Å; G89-G91 VanDerWaalsContact O-N 3.16Å; G91-Y94 PolarHBondContact O-N 3.05Å; G91-T95 VanDerWaalsContact O-CB 3.28Å; G91-T95 WeakPolarHBondContact O-CB 3.35Å; G91-T95 PolarHBondContact O-N 2.92Å; G91-T95 PolarHBondContact O-OG1 3.26Å |
| 92 | K | 93 | Very high | 83.9 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.7 | -62.4 | 174.9 | -61.7 | -171.7 | -62 | -74.4 | 0 | 112.7 | A84 G86 Q87 Y94 T95 M96 D240 L241 C314 | A84-K92 HydrophobicContact CB-CB 4.05Å; A84-K92 HydrophobicContact CB-CG 4.32Å; G86-K92 WeakPolarHBondContact O-CE 3.38Å; G86-K92 PolarHBondContact O-NZ 3.02Å; Q87-K92 VanDerWaalsContact C-NZ 3.3Å; Q87-K92 PolarHBondContact O-NZ 2.91Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-Y94 PolarHBondContact O-N 2.75Å; K92-T95 WeakPolarHBondContact O-CA 3.3Å; K92-T95 WeakPolarHBondContact O-CB 3.37Å; K92-T95 PolarHBondContact O-N 3.5Å; K92-M96 WeakPolarHBondContact O-CG 3.41Å; K92-M96 PolarHBondContact O-N 3.28Å; K92-D240 WeakPolarHBondContact CB-OD1 3.3Å; K92-L241 WeakPolarHBondContact CE-O 3.44Å; K92-C314 HydrophobicContact CG-CB 3.9Å |
| 93 | T | 89.7 | Confident | 81.4 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -34.5 | -178.4 | -47 | 0 | 0 | 0 | 0 | 112.4 | G97 T98 C99 D240 | T93-G97 PolarHBondContact O-N 3.41Å; T93-T98 VanDerWaalsContact CG2-OG1 3.31Å; T93-T98 WeakPolarHBondContact CG2-OG1 3.42Å; T93-C99 HydrophobicContact CG2-CB 4.45Å; T93-C99 VanDerWaalsContact CG2-SG 3.59Å; T93-D240 PolarHBondContact N-OD1 3.25Å; T93-D240 PolarHBondContact OG1-OD1 2.85Å; T93-D240 PolarHBondContact OG1-OD2 2.87Å |
| 94 | Y | 89.7 | Confident | 79.2 | Confident | 134 Ų | 134 | 42.5 Ų | 42.5 | 53% | 0.525 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 171.7 | 176.6 | -99 | 0 | 0 | 0 | 112.3 | Q59 G91 K92 G97 | Q59-Y94 VanDerWaalsContact CD-CE1 3.49Å; Q59-Y94 HydrophobicContact CG-CE1 4.11Å; Q59-Y94 PolarHBondContact NE2-O 3.31Å; G91-Y94 PolarHBondContact O-N 3.05Å; K92-Y94 VanDerWaalsContact C-N 3.29Å; K92-Y94 PolarHBondContact O-N 2.75Å; Y94-G97 PolarHBondContact O-N 3.49Å |
| 95 | T | 93 | Very high | 77.2 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | R13 G91 K92 I111 L312 | R13-T95 WeakPolarHBondContact CD-OG1 3.43Å; R13-T95 PolarHBondContact NH1-OG1 3.5Å; G91-T95 VanDerWaalsContact O-CB 3.28Å; G91-T95 WeakPolarHBondContact O-CB 3.35Å; G91-T95 PolarHBondContact O-N 2.92Å; G91-T95 PolarHBondContact O-OG1 3.26Å; K92-T95 WeakPolarHBondContact O-CA 3.3Å; K92-T95 WeakPolarHBondContact O-CB 3.37Å; K92-T95 PolarHBondContact O-N 3.5Å; T95-I111 HydrophobicContact CG2-CD1 3.68Å; T95-I111 HydrophobicContact CG2-CG1 4.45Å; T95-I111 WeakPolarHBondContact O-CB 3.46Å; T95-I111 WeakPolarHBondContact O-CG1 3.37Å; T95-I111 PolarHBondContact O-N 3.36Å; T95-L312 HydrophobicContact CG2-CD1 3.96Å |
| 96 | M | 92 | Very high | 75.5 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 175.8 | -64.4 | -61 | -74.8 | 0 | 0 | 111.5 | L82 A84 K92 T98 I111 V112 L238 D240 | L82-M96 HydrophobicContact CD2-CE 3.93Å; L82-M96 HydrophobicContact CD2-SD 3.49Å; L82-M96 WeakPolarHBondContact CD2-SD 3.44Å; A84-M96 HydrophobicContact CB-CG 3.87Å; A84-M96 HydrophobicContact CB-SD 4.07Å; K92-M96 WeakPolarHBondContact O-CG 3.41Å; K92-M96 PolarHBondContact O-N 3.28Å; M96-T98 HydrophobicContact CB-CG2 4.03Å; M96-I111 PolarHBondContact O-N 3.1Å; M96-V112 HydrophobicContact CB-CG2 4.17Å; M96-V112 HydrophobicContact CE-CG2 3.84Å; M96-V112 VanDerWaalsContact O-CB 3.23Å; M96-V112 WeakPolarHBondContact O-CB 3.29Å; M96-V112 WeakPolarHBondContact O-CG2 3.45Å; M96-V112 PolarHBondContact O-N 2.85Å; M96-L238 HydrophobicContact CE-CB 3.97Å; M96-D240 HydrophobicContact CG-CB 4.27Å |
| 97 | G | 85.7 | Confident | 74.2 | Confident | 12 Ų | 12 | 58 Ų | 58 | 12% | 0.124 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 34.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | T93 Y94 | T93-G97 PolarHBondContact O-N 3.41Å; Y94-G97 PolarHBondContact O-N 3.49Å |
| 98 | T | 74.1 | Confident | 73.4 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | trans | -78 | -31.8 | -179.3 | 44.2 | 0 | 0 | 0 | 0 | 113 | T93 M96 I100 V112 L185 S189 | T93-T98 VanDerWaalsContact CG2-OG1 3.31Å; T93-T98 WeakPolarHBondContact CG2-OG1 3.42Å; M96-T98 HydrophobicContact CB-CG2 4.03Å; T98-I100 PolarHBondContact O-N 3.36Å; T98-V112 HydrophobicContact CG2-CG2 4.27Å; T98-L185 HydrophobicContact CG2-CD1 4.18Å; T98-S189 WeakPolarHBondContact O-CB 3.27Å; T98-S189 PolarHBondContact O-OG 3.02Å | ||
| 99 | C | 67.3 | Low | 73.2 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -86.1 | 87.7 | 173.6 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | T93 | T93-C99 HydrophobicContact CG2-CB 4.45Å; T93-C99 VanDerWaalsContact CG2-SG 3.59Å |
| 100 | I | 53.8 | Low | 73.3 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | trans | -86.4 | 108.7 | 175.6 | -57.1 | 171.8 | 0 | 0 | 0 | 108.8 | T98 L182 L185 H186 | T98-I100 PolarHBondContact O-N 3.36Å; I100-L182 HydrophobicContact CD1-CD2 4.01Å; I100-L185 HydrophobicContact CD1-CD2 3.85Å; I100-L185 HydrophobicContact CD1-CG 4.2Å; I100-H186 PolarHBondContact O-ND1 3.24Å | ||
| 101 | S | 49.6 | Very low | 73.4 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | trans | -77.6 | 140.7 | 152.4 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | S103 V104 | S101-S103 PolarHBondContact O-N 3.27Å; S101-V104 VanDerWaalsContact O-CG2 3.23Å; S101-V104 WeakPolarHBondContact O-CG2 3.44Å | ||
| 102 | E | 47.1 | Very low | 73.5 | Confident | 179 Ų | 179 | 54.8 Ų | 54.8 | 84% | 0.836 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.9 | -173.6 | -65.1 | 174.6 | 130 | 0 | 0 | 113.8 | ||
| 103 | S | 43.6 | Very low | 73.5 | Confident | 99 Ų | 99 | 55.2 Ų | 55.2 | 69% | 0.692 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 29.1 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 114.9 | S101 I105 | S101-S103 PolarHBondContact O-N 3.27Å; S103-I105 PolarHBondContact O-N 2.94Å |
| 104 | V | 49.1 | Very low | 73.7 | Confident | 66 Ų | 66 | 55 Ų | 55 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | trans | -78.5 | 117.8 | -175.9 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | S101 E106 S108 A109 | S101-V104 VanDerWaalsContact O-CG2 3.23Å; S101-V104 WeakPolarHBondContact O-CG2 3.44Å; V104-E106 PolarHBondContact O-N 3.3Å; V104-S108 WeakPolarHBondContact CG1-OG 3.5Å; V104-A109 HydrophobicContact CG1-CB 4.37Å | ||
| 105 | I | 53.1 | Low | 73.9 | Confident | 136 Ų | 136 | 48.7 Ų | 48.7 | 70% | 0.697 | 29% | 0.288 | S | S | * | . | trans | -55.6 | 130.5 | 167.5 | -59.2 | 165 | 0 | 0 | 0 | 108.9 | S103 G107 S108 | S103-I105 PolarHBondContact O-N 2.94Å; I105-G107 PolarHBondContact O-N 3.04Å; I105-S108 PolarHBondContact O-N 3.28Å; I105-S108 PolarHBondContact O-OG 3.36Å | ||
| 106 | E | 59.2 | Low | 73.9 | Confident | 160 Ų | 160 | 48.6 Ų | 48.6 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -29.7 | -172.2 | -65.7 | -171.6 | 123.2 | 0 | 0 | 114.7 | V104 S108 R114 | V104-E106 PolarHBondContact O-N 3.3Å; E106-S108 PolarHBondContact O-N 2.84Å; E106-R114 PolarHBondContact O-NH2 3.28Å |
| 107 | G | 66.8 | Low | 73.9 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I105 R114 | I105-G107 PolarHBondContact O-N 3.04Å; G107-R114 PolarHBondContact O-NH2 3.05Å |
| 108 | S | 76 | Confident | 74.2 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.9 | -175.8 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | Q59 V104 I105 E106 G110 | Q59-S108 PolarHBondContact NE2-O 2.7Å; V104-S108 WeakPolarHBondContact CG1-OG 3.5Å; I105-S108 PolarHBondContact O-N 3.28Å; I105-S108 PolarHBondContact O-OG 3.36Å; E106-S108 PolarHBondContact O-N 2.84Å; S108-G110 PolarHBondContact O-N 3.32Å |
| 109 | A | 84.3 | Confident | 75.2 | Confident | 23 Ų | 23 | 55 Ų | 55 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | trans | -54.6 | 132 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q59 V104 P113 R114 | Q59-A109 VanDerWaalsContact CB-O 3.31Å; Q59-A109 WeakPolarHBondContact CB-O 3.28Å; V104-A109 HydrophobicContact CG1-CB 4.37Å; A109-P113 HydrophobicContact CB-CG 4.08Å; A109-R114 PolarHBondContact O-NE 3.35Å; A109-R114 PolarHBondContact O-NH2 2.93Å | ||
| 110 | G | 90.5 | Very high | 76.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | trans | -78.3 | -168 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S108 P113 R114 | S108-G110 PolarHBondContact O-N 3.32Å; G110-P113 WeakPolarHBondContact O-CD 3.16Å; G110-P113 WeakPolarHBondContact O-CG 3.21Å; G110-R114 WeakPolarHBondContact O-CG 3.3Å | ||
| 111 | I | 93.6 | Very high | 78.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.3 | -43.6 | -175 | -70.3 | 175.1 | 0 | 0 | 0 | 112.6 | V62 Y63 A67 L82 T95 M96 R114 I115 L312 | V62-I111 HydrophobicContact CG1-CD1 4.14Å; Y63-I111 HydrophobicContact CD2-CG2 4.39Å; A67-I111 HydrophobicContact CB-CG2 3.81Å; L82-I111 HydrophobicContact CD1-CG2 3.73Å; T95-I111 HydrophobicContact CG2-CD1 3.68Å; T95-I111 HydrophobicContact CG2-CG1 4.45Å; T95-I111 WeakPolarHBondContact O-CB 3.46Å; T95-I111 WeakPolarHBondContact O-CG1 3.37Å; T95-I111 PolarHBondContact O-N 3.36Å; M96-I111 PolarHBondContact O-N 3.1Å; I111-R114 PolarHBondContact O-N 2.94Å; I111-I115 HydrophobicContact CG2-CD1 3.42Å; I111-I115 VanDerWaalsContact CG2-CD1 3.42Å; I111-I115 HydrophobicContact CG2-CG1 3.93Å; I111-I115 WeakPolarHBondContact O-CG1 3.31Å; I111-I115 PolarHBondContact O-N 2.9Å; I111-L312 HydrophobicContact CD1-CD1 3.31Å |
| 112 | V | 93.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -54.9 | -177 | 177.5 | 0 | 0 | 0 | 0 | 112 | M96 T98 R114 I115 I116 L185 L210 L238 | M96-V112 HydrophobicContact CB-CG2 4.17Å; M96-V112 HydrophobicContact CE-CG2 3.84Å; M96-V112 VanDerWaalsContact O-CB 3.23Å; M96-V112 WeakPolarHBondContact O-CB 3.29Å; M96-V112 WeakPolarHBondContact O-CG2 3.45Å; M96-V112 PolarHBondContact O-N 2.85Å; T98-V112 HydrophobicContact CG2-CG2 4.27Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 3.49Å; V112-I115 PolarHBondContact O-N 3.32Å; V112-I116 HydrophobicContact CG1-CD1 3.73Å; V112-I116 WeakPolarHBondContact O-CD1 3.38Å; V112-I116 VanDerWaalsContact O-CG1 3.29Å; V112-I116 WeakPolarHBondContact O-CG1 3.47Å; V112-I116 PolarHBondContact O-N 2.92Å; V112-L185 HydrophobicContact CB-CD2 4.37Å; V112-L185 HydrophobicContact CG1-CD2 3.51Å; V112-L210 HydrophobicContact CG1-CD2 3.61Å; V112-L238 HydrophobicContact CB-CD1 4.42Å; V112-L238 HydrophobicContact CG1-CD1 4Å; V112-L238 HydrophobicContact CG2-CB 4.35Å; V112-L238 HydrophobicContact CG2-CD1 4.09Å |
| 113 | P | 92.4 | Very high | 82.4 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 13% | 0.13 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -32.4 | 178.7 | 23.2 | -34 | 0 | 0 | 0 | 113.6 | A109 G110 K117 L182 | A109-P113 HydrophobicContact CB-CG 4.08Å; G110-P113 WeakPolarHBondContact O-CD 3.16Å; G110-P113 WeakPolarHBondContact O-CG 3.21Å; P113-K117 PolarHBondContact O-N 3.4Å; P113-L182 HydrophobicContact CB-CD2 3.65Å |
| 114 | R | 92.5 | Very high | 84.4 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 176.4 | -67.1 | 178.2 | -167.1 | -80.3 | -9.5 | 112.5 | Y63 E106 G107 A109 G110 I111 V112 I116 K117 D118 | Y63-R114 HydrophobicContact CD1-CB 3.81Å; Y63-R114 HydrophobicContact CD1-CG 4.36Å; Y63-R114 HydrophobicContact CD2-CB 3.7Å; Y63-R114 HydrophobicContact CE1-CB 3.87Å; Y63-R114 HydrophobicContact CE2-CB 3.81Å; Y63-R114 HydrophobicContact CG-CB 3.73Å; Y63-R114 HydrophobicContact CG-CG 4.36Å; E106-R114 PolarHBondContact O-NH2 3.28Å; G107-R114 PolarHBondContact O-NH2 3.05Å; A109-R114 PolarHBondContact O-NE 3.35Å; A109-R114 PolarHBondContact O-NH2 2.93Å; G110-R114 WeakPolarHBondContact O-CG 3.3Å; I111-R114 PolarHBondContact O-N 2.94Å; V112-R114 VanDerWaalsContact C-N 3.29Å; V112-R114 PolarHBondContact O-N 3.49Å; R114-I116 VanDerWaalsContact C-N 3.29Å; R114-I116 PolarHBondContact O-N 3.05Å; R114-K117 PolarHBondContact O-N 3.37Å; R114-D118 PolarHBondContact O-N 3.21Å |
| 115 | I | 94.3 | Very high | 86.3 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 173.2 | -72.3 | 174.5 | 0 | 0 | 0 | 110.4 | Y63 A67 V71 L82 I111 V112 L119 L236 L238 | Y63-I115 HydrophobicContact CD2-CG1 4.25Å; Y63-I115 HydrophobicContact CE2-CB 4.4Å; Y63-I115 HydrophobicContact CE2-CG1 3.59Å; A67-I115 HydrophobicContact CB-CD1 4.24Å; A67-I115 HydrophobicContact CB-CG1 4.4Å; V71-I115 HydrophobicContact CG2-CG2 4.44Å; L82-I115 HydrophobicContact CD1-CD1 4.12Å; I111-I115 HydrophobicContact CG2-CD1 3.42Å; I111-I115 VanDerWaalsContact CG2-CD1 3.42Å; I111-I115 HydrophobicContact CG2-CG1 3.93Å; I111-I115 WeakPolarHBondContact O-CG1 3.31Å; I111-I115 PolarHBondContact O-N 2.9Å; V112-I115 PolarHBondContact O-N 3.32Å; I115-L119 HydrophobicContact CG2-CD1 3.54Å; I115-L119 HydrophobicContact CG2-CG 4.17Å; I115-L119 VanDerWaalsContact O-CB 3.25Å; I115-L119 WeakPolarHBondContact O-CB 3.32Å; I115-L119 WeakPolarHBondContact O-CD1 3.41Å; I115-L119 VanDerWaalsContact O-CG 3.22Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 3.1Å; I115-L236 HydrophobicContact CG2-CD2 3.62Å; I115-L238 HydrophobicContact CD1-CD2 3.67Å |
| 116 | I | 93.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 179.7 | -69 | 162 | 0 | 0 | 0 | 110 | V112 R114 D118 L119 F120 P178 V181 L182 | V112-I116 HydrophobicContact CG1-CD1 3.73Å; V112-I116 WeakPolarHBondContact O-CD1 3.38Å; V112-I116 VanDerWaalsContact O-CG1 3.29Å; V112-I116 WeakPolarHBondContact O-CG1 3.47Å; V112-I116 PolarHBondContact O-N 2.92Å; R114-I116 VanDerWaalsContact C-N 3.29Å; R114-I116 PolarHBondContact O-N 3.05Å; I116-D118 PolarHBondContact O-N 2.95Å; I116-L119 PolarHBondContact O-N 3.44Å; I116-F120 HydrophobicContact CG2-CD2 4.14Å; I116-F120 HydrophobicContact CG2-CE2 4.25Å; I116-F120 WeakPolarHBondContact O-CD2 3.16Å; I116-F120 PolarHBondContact O-N 2.66Å; I116-F120 VanDerWaalsContact O-N 3.16Å; I116-P178 HydrophobicContact CG2-CB 3.68Å; I116-V181 HydrophobicContact CD1-CB 4.14Å; I116-V181 HydrophobicContact CD1-CG1 3.5Å; I116-V181 HydrophobicContact CG1-CB 4.49Å; I116-V181 HydrophobicContact CG1-CG1 3.95Å; I116-V181 HydrophobicContact CG2-CB 3.95Å; I116-V181 HydrophobicContact CG2-CG1 4.33Å; I116-V181 HydrophobicContact CG2-CG2 4.33Å; I116-L182 HydrophobicContact CD1-CD2 3.99Å |
| 117 | K | 92 | Very high | 89 | Confident | 117 Ų | 117 | 46.3 Ų | 46.3 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.3 | -53.9 | 179.5 | -173.5 | 176.7 | 179 | 177.2 | 0 | 111.8 | P113 R114 L119 F120 E121 | P113-K117 PolarHBondContact O-N 3.4Å; R114-K117 PolarHBondContact O-N 3.37Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.49Å; K117-F120 PolarHBondContact O-N 3.11Å; K117-E121 WeakPolarHBondContact O-CB 3.23Å; K117-E121 PolarHBondContact O-N 3.21Å |
| 118 | D | 93.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -31.9 | -178.2 | -77.6 | 27.8 | 0 | 0 | 0 | 113.3 | Y63 L68 R114 I116 K122 | Y63-D118 WeakPolarHBondContact CE1-OD2 3.46Å; Y63-D118 VanDerWaalsContact OH-CB 3.24Å; Y63-D118 WeakPolarHBondContact OH-CB 3.46Å; Y63-D118 PolarHBondContact OH-OD2 3Å; L68-D118 WeakPolarHBondContact CD1-OD2 3.42Å; R114-D118 PolarHBondContact O-N 3.21Å; I116-D118 PolarHBondContact O-N 2.95Å; D118-K122 VanDerWaalsContact O-CB 3.22Å; D118-K122 WeakPolarHBondContact O-CB 3.41Å; D118-K122 VanDerWaalsContact O-CG 3.24Å; D118-K122 WeakPolarHBondContact O-CG 3.28Å; D118-K122 PolarHBondContact O-N 3.09Å |
| 119 | L | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -56.4 | 173.9 | -85.4 | 167.4 | 0 | 0 | 0 | 110.3 | V71 I74 L75 I115 I116 K117 E121 K122 M123 F214 L236 | V71-L119 HydrophobicContact CG1-CD2 3.85Å; V71-L119 HydrophobicContact CG1-CG 4.05Å; I74-L119 HydrophobicContact CB-CD2 4.39Å; I74-L119 HydrophobicContact CG2-CD2 4.07Å; L75-L119 HydrophobicContact CD2-CD2 4.22Å; L75-L119 HydrophobicContact CG-CD2 4.26Å; I115-L119 HydrophobicContact CG2-CD1 3.54Å; I115-L119 HydrophobicContact CG2-CG 4.17Å; I115-L119 VanDerWaalsContact O-CB 3.25Å; I115-L119 WeakPolarHBondContact O-CB 3.32Å; I115-L119 WeakPolarHBondContact O-CD1 3.41Å; I115-L119 VanDerWaalsContact O-CG 3.22Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 3.1Å; I116-L119 PolarHBondContact O-N 3.44Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.49Å; L119-E121 VanDerWaalsContact C-N 3.31Å; L119-E121 PolarHBondContact O-N 3.21Å; L119-K122 PolarHBondContact O-N 3.05Å; L119-M123 HydrophobicContact CB-CE 4.18Å; L119-M123 WeakPolarHBondContact O-CG 3.4Å; L119-M123 PolarHBondContact O-N 2.84Å; L119-F214 HydrophobicContact CD1-CE1 4.25Å; L119-F214 HydrophobicContact CD1-CZ 3.76Å; L119-F214 HydrophobicContact CD2-CE1 4.42Å; L119-F214 HydrophobicContact CD2-CZ 4.35Å; L119-L236 HydrophobicContact CD1-CD2 4.06Å |
| 120 | F | 92.8 | Very high | 90.6 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | -179.3 | -80 | -89.6 | 0 | 0 | 0 | 112.4 | I116 K117 M123 P124 V132 V175 T176 P178 V181 | I116-F120 HydrophobicContact CG2-CD2 4.14Å; I116-F120 HydrophobicContact CG2-CE2 4.25Å; I116-F120 WeakPolarHBondContact O-CD2 3.16Å; I116-F120 PolarHBondContact O-N 2.66Å; I116-F120 VanDerWaalsContact O-N 3.16Å; K117-F120 PolarHBondContact O-N 3.11Å; F120-M123 HydrophobicContact CD1-SD 4.33Å; F120-P124 VanDerWaalsContact O-CD 3.29Å; F120-P124 WeakPolarHBondContact O-CD 3.38Å; F120-V132 HydrophobicContact CE1-CG2 4.41Å; F120-V132 HydrophobicContact CZ-CB 4.4Å; F120-V132 HydrophobicContact CZ-CG1 4.44Å; F120-V132 HydrophobicContact CZ-CG2 4.15Å; F120-V175 HydrophobicContact CZ-CG2 4.08Å; F120-T176 WeakPolarHBondContact CE1-O 3.34Å; F120-P178 HydrophobicContact CB-CB 4.16Å; F120-P178 HydrophobicContact CB-CG 4.11Å; F120-P178 HydrophobicContact CD2-CB 3.82Å; F120-P178 HydrophobicContact CE2-CB 4.45Å; F120-P178 HydrophobicContact CG-CB 4.06Å; F120-P178 HydrophobicContact CG-CG 4.3Å; F120-V181 HydrophobicContact CE2-CG2 3.79Å; F120-V181 HydrophobicContact CZ-CG2 4.03Å |
| 121 | E | 92.4 | Very high | 90.5 | Very high | 124 Ų | 124 | 50.6 Ų | 50.6 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.1 | -35.3 | 175.5 | -170.8 | 176.4 | 154.5 | 0 | 0 | 112.8 | K117 L119 | K117-E121 WeakPolarHBondContact O-CB 3.23Å; K117-E121 PolarHBondContact O-N 3.21Å; L119-E121 VanDerWaalsContact C-N 3.31Å; L119-E121 PolarHBondContact O-N 3.21Å |
| 122 | K | 92.2 | Very high | 90.4 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 24% | 0.235 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -88.5 | -26.4 | -178.9 | -70.1 | 177 | 179.1 | -177.2 | 0 | 114.4 | V71 L75 D118 L119 P124 N125 Y126 | V71-K122 HydrophobicContact CG1-CD 4.19Å; L75-K122 HydrophobicContact CD1-CB 3.6Å; L75-K122 HydrophobicContact CD1-CD 4.34Å; D118-K122 VanDerWaalsContact O-CB 3.22Å; D118-K122 WeakPolarHBondContact O-CB 3.41Å; D118-K122 VanDerWaalsContact O-CG 3.24Å; D118-K122 WeakPolarHBondContact O-CG 3.28Å; D118-K122 PolarHBondContact O-N 3.09Å; L119-K122 PolarHBondContact O-N 3.05Å; K122-P124 VanDerWaalsContact C-CD 3.43Å; K122-P124 VanDerWaalsContact C-N 3.35Å; K122-N125 WeakPolarHBondContact O-CB 3.24Å; K122-N125 PolarHBondContact O-N 3.1Å; K122-Y126 WeakPolarHBondContact O-CD2 2.89Å |
| 123 | M | 91.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 54 Ų | 54 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -48 | -44 | 179.1 | -83.9 | 171 | -167.5 | 0 | 0 | 114.8 | L75 L119 F120 N125 Y126 Y130 V132 F214 | L75-M123 HydrophobicContact CD2-CG 3.69Å; L119-M123 HydrophobicContact CB-CE 4.18Å; L119-M123 WeakPolarHBondContact O-CG 3.4Å; L119-M123 PolarHBondContact O-N 2.84Å; F120-M123 HydrophobicContact CD1-SD 4.33Å; M123-N125 PolarHBondContact O-N 3.29Å; M123-N125 VanDerWaalsContact O-N 3.16Å; M123-Y126 PolarHBondContact O-N 3.49Å; M123-Y130 HydrophobicContact CB-CD2 3.67Å; M123-Y130 HydrophobicContact CB-CE2 3.96Å; M123-Y130 HydrophobicContact CB-CG 4.25Å; M123-Y130 HydrophobicContact CE-CD1 4.32Å; M123-Y130 HydrophobicContact CE-CG 4.34Å; M123-Y130 HydrophobicContact CG-CD1 4.01Å; M123-Y130 HydrophobicContact CG-CD2 3.51Å; M123-Y130 HydrophobicContact CG-CE1 4.34Å; M123-Y130 HydrophobicContact CG-CE2 3.88Å; M123-Y130 HydrophobicContact CG-CG 3.6Å; M123-Y130 WeakPolarHBondContact O-CE2 3.48Å; M123-Y130 HydrophobicContact SD-CD1 4.43Å; M123-Y130 HydrophobicContact SD-CD2 4.27Å; M123-Y130 HydrophobicContact SD-CG 3.9Å; M123-V132 HydrophobicContact CE-CG2 3.73Å; M123-V132 HydrophobicContact SD-CG2 4.22Å; M123-F214 HydrophobicContact CE-CD1 3.63Å; M123-F214 HydrophobicContact CE-CE1 3.44Å; M123-F214 VanDerWaalsContact CE-CE1 3.44Å |
| 124 | P | 86.6 | Confident | 90.6 | Very high | 84 Ų | 84 | 53 Ų | 53 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -58.6 | -28.9 | 178.9 | -27.1 | 36.5 | 0 | 0 | 0 | 114.3 | F120 K122 Y126 K219 | F120-P124 VanDerWaalsContact O-CD 3.29Å; F120-P124 WeakPolarHBondContact O-CD 3.38Å; K122-P124 VanDerWaalsContact C-CD 3.43Å; K122-P124 VanDerWaalsContact C-N 3.35Å; P124-Y126 VanDerWaalsContact C-N 3.34Å; P124-Y126 PolarHBondContact O-N 3.02Å; P124-K219 PolarHBondContact O-NZ 2.94Å |
| 125 | N | 87.4 | Confident | 90.6 | Very high | 131 Ų | 131 | 51.8 Ų | 51.8 | 70% | 0.701 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -82.7 | -5.9 | -172.8 | -58.2 | -31.1 | 0 | 0 | 0 | 114.2 | K122 M123 | K122-N125 WeakPolarHBondContact O-CB 3.24Å; K122-N125 PolarHBondContact O-N 3.1Å; M123-N125 PolarHBondContact O-N 3.29Å; M123-N125 VanDerWaalsContact O-N 3.16Å |
| 126 | Y | 86.9 | Confident | 90.7 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -101.5 | 161.8 | 179.5 | -79.1 | -107.3 | 0 | 0 | 0 | 111.6 | L75 K76 K122 M123 P124 Y128 Y130 K219 | L75-Y126 HydrophobicContact CB-CD1 4.11Å; L75-Y126 HydrophobicContact CB-CD2 4.32Å; L75-Y126 HydrophobicContact CB-CE1 3.85Å; L75-Y126 HydrophobicContact CB-CE2 4.1Å; L75-Y126 HydrophobicContact CB-CG 4.34Å; L75-Y126 HydrophobicContact CD1-CD2 4.12Å; L75-Y126 HydrophobicContact CD1-CE2 3.63Å; L75-Y126 HydrophobicContact CG-CE2 4.43Å; K76-Y126 HydrophobicContact CG-CE1 4.3Å; K122-Y126 WeakPolarHBondContact O-CD2 2.89Å; M123-Y126 PolarHBondContact O-N 3.49Å; P124-Y126 VanDerWaalsContact C-N 3.34Å; P124-Y126 PolarHBondContact O-N 3.02Å; Y126-Y128 PolarHBondContact O-N 2.85Å; Y126-Y128 VanDerWaalsContact O-N 3.09Å; Y126-Y130 VanDerWaalsContact CB-OH 3.23Å; Y126-Y130 WeakPolarHBondContact CB-OH 3.44Å; Y126-K219 PolarHBondContact O-NZ 3.49Å |
| 127 | E | 82.1 | Confident | 90.7 | Very high | 144 Ų | 144 | 52 Ų | 52 | 67% | 0.673 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -71.1 | -0.8 | -176.1 | -67.3 | 161 | 162.5 | 0 | 0 | 114.2 | K219 | E127-K219 VanDerWaalsContact O-CB 3.31Å; E127-K219 WeakPolarHBondContact O-CB 3.42Å; E127-K219 WeakPolarHBondContact O-CG 3.38Å; E127-K219 PolarHBondContact O-N 3.1Å |
| 128 | Y | 85.9 | Confident | 90.7 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 15% | 0.153 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 144.8 | -175.3 | -58.2 | -91 | 0 | 0 | 0 | 112.9 | Y126 Y130 L216 R217 P218 K219 L232 | Y126-Y128 PolarHBondContact O-N 2.85Å; Y126-Y128 VanDerWaalsContact O-N 3.09Å; Y128-Y130 VanDerWaalsContact O-CD2 3.29Å; Y128-Y130 WeakPolarHBondContact O-CD2 3.45Å; Y128-Y130 WeakPolarHBondContact O-CE2 3.47Å; Y128-L216 HydrophobicContact CD1-CB 3.89Å; Y128-L216 HydrophobicContact CD2-CD2 4.4Å; Y128-L216 HydrophobicContact CG-CB 4.05Å; Y128-L216 HydrophobicContact CG-CD2 4.24Å; Y128-R217 CarbonylContact C-O 3.58Å; Y128-R217 VanDerWaalsContact CA-O 3.24Å; Y128-R217 WeakPolarHBondContact CA-O 3.42Å; Y128-P218 HydrophobicContact CE1-CG 4.42Å; Y128-K219 WeakPolarHBondContact O-CE 3.47Å; Y128-L232 HydrophobicContact CE1-CD1 3.98Å; Y128-L232 HydrophobicContact CE1-CG 4.45Å |
| 129 | E | 86.1 | Confident | 90.6 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 41% | 0.407 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 133.1 | 156.3 | -65.7 | -171.8 | -177.3 | 0 | 0 | 109.6 | L216 R217 K219 | E129-L216 WeakPolarHBondContact O-CA 3.43Å; E129-R217 HydrophobicContact CB-CB 4.49Å; E129-R217 PolarHBondContact N-O 2.98Å; E129-R217 PolarHBondContact O-N 3.03Å; E129-R217 IonicContact OE2-CZ 2.75Å; E129-R217 IonicContact OE2-NH1 3.35Å; E129-R217 PolarHBondContact OE2-NH1 2.98Å; E129-R217 IonicContact OE2-NH2 2.97Å; E129-R217 PolarHBondContact OE2-NH2 3.27Å; E129-K219 HydrophobicContact CG-CG 3.83Å |
| 130 | Y | 88.5 | Confident | 90.3 | Very high | 34 Ų | 34 | 47 Ų | 47 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.7 | -178.9 | -63.2 | -97.3 | 0 | 0 | 0 | 110.1 | L75 M123 Y126 Y128 L215 L216 | L75-Y130 HydrophobicContact CD2-CD1 4.47Å; L75-Y130 HydrophobicContact CD2-CE1 3.72Å; L75-Y130 HydrophobicContact CD2-CE2 4.41Å; L75-Y130 PolarHBondContact O-OH 3.45Å; M123-Y130 HydrophobicContact CB-CD2 3.67Å; M123-Y130 HydrophobicContact CB-CE2 3.96Å; M123-Y130 HydrophobicContact CB-CG 4.25Å; M123-Y130 HydrophobicContact CE-CD1 4.32Å; M123-Y130 HydrophobicContact CE-CG 4.34Å; M123-Y130 HydrophobicContact CG-CD1 4.01Å; M123-Y130 HydrophobicContact CG-CD2 3.51Å; M123-Y130 HydrophobicContact CG-CE1 4.34Å; M123-Y130 HydrophobicContact CG-CE2 3.88Å; M123-Y130 HydrophobicContact CG-CG 3.6Å; M123-Y130 WeakPolarHBondContact O-CE2 3.48Å; M123-Y130 HydrophobicContact SD-CD1 4.43Å; M123-Y130 HydrophobicContact SD-CD2 4.27Å; M123-Y130 HydrophobicContact SD-CG 3.9Å; Y126-Y130 VanDerWaalsContact CB-OH 3.23Å; Y126-Y130 WeakPolarHBondContact CB-OH 3.44Å; Y128-Y130 VanDerWaalsContact O-CD2 3.29Å; Y128-Y130 WeakPolarHBondContact O-CD2 3.45Å; Y128-Y130 WeakPolarHBondContact O-CE2 3.47Å; Y130-L215 WeakPolarHBondContact CA-O 3.48Å; Y130-L216 HydrophobicContact CD1-CD1 4.3Å; Y130-L216 HydrophobicContact CD1-CD2 4.46Å; Y130-L216 HydrophobicContact CD1-CG 3.81Å; Y130-L216 HydrophobicContact CE1-CD1 4.25Å; Y130-L216 HydrophobicContact CE1-CD2 3.68Å; Y130-L216 HydrophobicContact CE1-CG 3.53Å |
| 131 | T | 88.9 | Confident | 89.9 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.8 | 164.6 | -56.8 | 0 | 0 | 0 | 0 | 107.8 | V174 L215 R217 | T131-V174 HydrophobicContact CG2-CG1 4.26Å; T131-L215 PolarHBondContact N-O 3.28Å; T131-L215 PolarHBondContact O-N 3.18Å; T131-R217 PolarHBondContact OG1-NH2 3.27Å |
| 132 | V | 92.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.9 | -172.3 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | F120 M123 V174 V175 L212 F214 | F120-V132 HydrophobicContact CE1-CG2 4.41Å; F120-V132 HydrophobicContact CZ-CB 4.4Å; F120-V132 HydrophobicContact CZ-CG1 4.44Å; F120-V132 HydrophobicContact CZ-CG2 4.15Å; M123-V132 HydrophobicContact CE-CG2 3.73Å; M123-V132 HydrophobicContact SD-CG2 4.22Å; V132-V174 WeakPolarHBondContact O-CA 3.21Å; V132-V175 HydrophobicContact CB-CG2 3.66Å; V132-V175 HydrophobicContact CG1-CG2 3.6Å; V132-V175 PolarHBondContact O-N 2.88Å; V132-L212 HydrophobicContact CG1-CD2 4.38Å; V132-F214 HydrophobicContact CB-CD1 4.5Å; V132-F214 HydrophobicContact CG1-CD1 4.2Å; V132-F214 HydrophobicContact CG1-CE1 3.86Å; V132-F214 HydrophobicContact CG1-CZ 4.49Å; V132-F214 HydrophobicContact CG2-CD1 3.84Å; V132-F214 HydrophobicContact CG2-CE1 3.96Å |
| 133 | K | 93.1 | Very high | 89.4 | Confident | 70 Ų | 70 | 46 Ų | 46 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.2 | 169.2 | -70.7 | 174.4 | 165.2 | -167.5 | 0 | 110.1 | E172 T173 V174 L212 C213 | K133-E172 HydrophobicContact CD-CB 4.36Å; K133-E172 WeakPolarHBondContact CD-OE2 3.35Å; K133-E172 WeakPolarHBondContact CE-OE2 3.18Å; K133-E172 IonicContact NZ-OE2 2.99Å; K133-E172 PolarHBondContact NZ-OE2 3.47Å; K133-T173 CarbonylContact C-O 3.56Å; K133-T173 VanDerWaalsContact CA-O 3.25Å; K133-T173 WeakPolarHBondContact CA-O 3.41Å; K133-V174 HydrophobicContact CG-CG2 4.06Å; K133-L212 CarbonylContact O-C 3.58Å; K133-L212 VanDerWaalsContact O-CA 3.32Å; K133-L212 WeakPolarHBondContact O-CA 3.42Å; K133-C213 HydrophobicContact CB-CB 4.28Å; K133-C213 PolarHBondContact N-O 2.98Å; K133-C213 PolarHBondContact O-N 3.45Å |
| 134 | V | 95.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.1 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | L148 T173 V175 V181 L184 L210 L212 | V134-L148 HydrophobicContact CG1-CD1 4.37Å; V134-T173 PolarHBondContact N-O 3.14Å; V134-T173 PolarHBondContact O-N 2.98Å; V134-T173 PolarHBondContact O-OG1 2.8Å; V134-T173 VanDerWaalsContact O-OG1 3.09Å; V134-V175 HydrophobicContact CB-CG1 4.49Å; V134-V175 HydrophobicContact CG2-CB 4.34Å; V134-V175 HydrophobicContact CG2-CG1 3.74Å; V134-V175 HydrophobicContact CG2-CG2 3.62Å; V134-V181 HydrophobicContact CG1-CG1 4.35Å; V134-V181 HydrophobicContact CG2-CB 4.47Å; V134-V181 HydrophobicContact CG2-CG1 3.95Å; V134-V181 HydrophobicContact CG2-CG2 3.95Å; V134-L184 HydrophobicContact CB-CD1 4.2Å; V134-L184 HydrophobicContact CG2-CD1 4.45Å; V134-L210 HydrophobicContact CG1-CD1 3.67Å; V134-L212 HydrophobicContact CG2-CG 4.43Å |
| 135 | S | 94.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.6 | 166.2 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | T171 T211 | S135-T171 WeakPolarHBondContact CB-O 3.26Å; S135-T211 PolarHBondContact N-O 3.49Å; S135-T211 PolarHBondContact O-N 2.7Å; S135-T211 PolarHBondContact OG-O 3.39Å |
| 136 | F | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 125.2 | -178.8 | -167.8 | -164.1 | 0 | 0 | 0 | 108.8 | L147 L148 L185 A208 L210 | F136-L147 HydrophobicContact CB-CB 4.22Å; F136-L147 HydrophobicContact CD1-CB 4Å; F136-L147 HydrophobicContact CD1-CD1 3.87Å; F136-L147 HydrophobicContact CD2-CD1 3.85Å; F136-L147 HydrophobicContact CE1-CD1 3.78Å; F136-L147 HydrophobicContact CE2-CD1 3.79Å; F136-L147 HydrophobicContact CG-CB 4.07Å; F136-L147 HydrophobicContact CG-CD1 3.89Å; F136-L147 HydrophobicContact CZ-CD1 3.74Å; F136-L147 WeakPolarHBondContact O-CB 3.38Å; F136-L147 PolarHBondContact O-N 2.95Å; F136-L148 HydrophobicContact CB-CD1 4.33Å; F136-L148 HydrophobicContact CB-CD2 3.87Å; F136-L148 HydrophobicContact CB-CG 3.82Å; F136-L185 HydrophobicContact CD1-CD1 4.45Å; F136-L185 HydrophobicContact CE1-CD1 3.73Å; F136-L185 HydrophobicContact CZ-CD1 3.9Å; F136-A208 HydrophobicContact CE2-CB 3.92Å; F136-A208 HydrophobicContact CZ-CB 4.37Å; F136-L210 HydrophobicContact CB-CD1 3.88Å; F136-L210 HydrophobicContact CD1-CD1 4.45Å; F136-L210 HydrophobicContact CD2-CB 3.8Å; F136-L210 HydrophobicContact CD2-CD1 4.13Å; F136-L210 HydrophobicContact CE2-CB 4.04Å; F136-L210 HydrophobicContact CG-CB 4.46Å; F136-L210 HydrophobicContact CG-CD1 3.93Å |
| 137 | L | 93.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.8 | -177.3 | 67.6 | 81.9 | 0 | 0 | 0 | 112.4 | I139 I144 H145 I167 L170 A208 I209 L298 | L137-I139 HydrophobicContact CD1-CD1 4.46Å; L137-I139 HydrophobicContact CD1-CG1 3.86Å; L137-I144 HydrophobicContact CB-CG2 4.49Å; L137-I144 HydrophobicContact CD1-CG2 4.27Å; L137-I144 HydrophobicContact CD2-CG2 4.31Å; L137-H145 CarbonylContact C-O 3.44Å; L137-H145 VanDerWaalsContact CA-O 3.25Å; L137-H145 WeakPolarHBondContact CA-O 3.39Å; L137-H145 WeakPolarHBondContact CB-O 3.43Å; L137-I167 HydrophobicContact CD2-CD1 3.41Å; L137-I167 VanDerWaalsContact CD2-CD1 3.41Å; L137-L170 HydrophobicContact CB-CD1 4.08Å; L137-L170 HydrophobicContact CD2-CD1 4.16Å; L137-L170 HydrophobicContact CD2-CD2 4.14Å; L137-A208 WeakPolarHBondContact O-CA 3.32Å; L137-I209 HydrophobicContact CD1-CB 3.77Å; L137-I209 HydrophobicContact CD1-CD1 4.12Å; L137-I209 HydrophobicContact CD1-CG1 4.07Å; L137-I209 HydrophobicContact CG-CB 4.01Å; L137-I209 PolarHBondContact N-O 3.19Å; L137-I209 PolarHBondContact O-N 2.71Å; L137-L298 HydrophobicContact CD1-CD1 4.43Å |
| 138 | E | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.5 | 175.4 | -179.2 | -178.7 | -145.4 | 0 | 0 | 110.1 | I144 H145 L147 R192 K202 S206 H207 | E138-I144 CarbonylContact O-C 3.54Å; E138-H145 HydrophobicContact CB-CB 4.38Å; E138-H145 PolarHBondContact N-O 2.95Å; E138-H145 PolarHBondContact O-N 3.43Å; E138-L147 HydrophobicContact CB-CD1 4.07Å; E138-L147 HydrophobicContact CB-CD2 3.94Å; E138-L147 HydrophobicContact CB-CG 4Å; E138-R192 WeakPolarHBondContact OE1-CG 3.48Å; E138-K202 WeakPolarHBondContact OE1-CE 3.49Å; E138-K202 IonicContact OE1-NZ 3.3Å; E138-K202 WeakPolarHBondContact OE2-CE 3.48Å; E138-K202 IonicContact OE2-NZ 3.91Å; E138-K202 PolarHBondContact OE2-NZ 2.95Å; E138-S206 WeakPolarHBondContact OE1-CB 3.38Å; E138-S206 PolarHBondContact OE1-OG 3.45Å; E138-H207 CarbonylContact C-O 3.48Å; E138-H207 WeakPolarHBondContact CA-O 3.45Å |
| 139 | I | 91.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.2 | 168.6 | -45.3 | 176 | 0 | 0 | 0 | 108.1 | L137 D143 S206 H207 I209 L295 L298 | L137-I139 HydrophobicContact CD1-CD1 4.46Å; L137-I139 HydrophobicContact CD1-CG1 3.86Å; I139-D143 WeakPolarHBondContact CA-O 3.4Å; I139-S206 CarbonylContact O-C 3.58Å; I139-S206 VanDerWaalsContact O-CA 3.31Å; I139-S206 WeakPolarHBondContact O-CA 3.34Å; I139-S206 WeakPolarHBondContact O-CB 3.36Å; I139-H207 HydrophobicContact CB-CB 4.18Å; I139-H207 PolarHBondContact N-O 2.79Å; I139-H207 PolarHBondContact O-N 2.78Å; I139-I209 HydrophobicContact CD1-CD1 3.97Å; I139-L295 HydrophobicContact CD1-CB 4.14Å; I139-L295 HydrophobicContact CD1-CD1 3.97Å; I139-L298 HydrophobicContact CD1-CD1 3.81Å |
| 140 | Y | 88.4 | Confident | 90 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.8 | 178.8 | 175.2 | -108.1 | 0 | 0 | 0 | 108.5 | E142 D143 K202 R205 E259 | Y140-E142 VanDerWaalsContact C-N 3.29Å; Y140-E142 PolarHBondContact O-N 2.95Å; Y140-D143 PolarHBondContact N-O 3.43Å; Y140-D143 PolarHBondContact O-N 3.1Å; Y140-K202 HydrophobicContact CD2-CG 4.27Å; Y140-K202 HydrophobicContact CE2-CG 4.31Å; Y140-R205 HydrophobicContact CD2-CB 4.48Å; Y140-R205 HydrophobicContact CE2-CB 4.16Å; Y140-E259 PolarHBondContact OH-OE1 2.76Å |
| 141 | K | 83.4 | Confident | 89.3 | Confident | 81 Ų | 81 | 30.4 Ų | 30.4 | 35% | 0.352 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 42.8 | -173.8 | -63.5 | 177.6 | 172.1 | 168.5 | 0 | 114 | D143 E259 D262 | K141-D143 PolarHBondContact O-N 3.32Å; K141-D143 VanDerWaalsContact O-N 3.08Å; K141-E259 VanDerWaalsContact CE-CG 3.45Å; K141-D262 HydrophobicContact CB-CB 4.3Å; K141-D262 HydrophobicContact CG-CB 4.26Å |
| 142 | E | 86.4 | Confident | 88.7 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 15% | 0.15 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | -1.5 | -173.2 | -66.9 | -72.6 | 141.6 | 0 | 0 | 116.4 | Y140 R265 G266 S293 R294 | Y140-E142 VanDerWaalsContact C-N 3.29Å; Y140-E142 PolarHBondContact O-N 2.95Å; E142-R265 HydrophobicContact CG-CG 4.4Å; E142-G266 WeakPolarHBondContact OE1-CA 3.44Å; E142-G266 PolarHBondContact OE1-N 3.5Å; E142-S293 VanDerWaalsContact CD-OG 3.24Å; E142-S293 VanDerWaalsContact OE1-CB 3.25Å; E142-S293 WeakPolarHBondContact OE1-CB 3.37Å; E142-S293 PolarHBondContact OE1-OG 2.92Å; E142-S293 VanDerWaalsContact OE2-CA 3.26Å; E142-S293 WeakPolarHBondContact OE2-CA 3.48Å; E142-S293 PolarHBondContact OE2-OG 3.23Å; E142-S293 VanDerWaalsContact OE2-OG 3.13Å; E142-R294 WeakPolarHBondContact O-CG 3.29Å; E142-R294 PolarHBondContact OE2-N 2.98Å |
| 143 | D | 88.4 | Confident | 87.7 | Confident | 77 Ų | 77 | 34.3 Ų | 34.3 | 41% | 0.412 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141.8 | 172.2 | -81.3 | -51.7 | 0 | 0 | 0 | 111.7 | I139 Y140 K141 H145 S155 | I139-D143 WeakPolarHBondContact CA-O 3.4Å; Y140-D143 PolarHBondContact N-O 3.43Å; Y140-D143 PolarHBondContact O-N 3.1Å; K141-D143 PolarHBondContact O-N 3.32Å; K141-D143 VanDerWaalsContact O-N 3.08Å; D143-H145 VanDerWaalsContact CB-CE1 3.47Å; D143-H145 WeakPolarHBondContact CB-CE1 3.38Å; D143-H145 PolarHBondContact O-CE1 3.43Å; D143-H145 PolarHBondContact O-ND1 2.83Å; D143-S155 VanDerWaalsContact OD1-CB 3.31Å; D143-S155 WeakPolarHBondContact OD1-CB 3.3Å; D143-S155 PolarHBondContact OD1-OG 2.95Å |
| 144 | I | 91.4 | Very high | 87 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.2 | -174.7 | -57.1 | 173.3 | 0 | 0 | 0 | 109.3 | L137 E138 S155 L156 I158 I167 R294 L298 | L137-I144 HydrophobicContact CB-CG2 4.49Å; L137-I144 HydrophobicContact CD1-CG2 4.27Å; L137-I144 HydrophobicContact CD2-CG2 4.31Å; E138-I144 CarbonylContact O-C 3.54Å; I144-S155 CarbonylContact O-C 3.58Å; I144-S155 WeakPolarHBondContact O-CA 3.4Å; I144-L156 HydrophobicContact CB-CB 4.24Å; I144-L156 HydrophobicContact CG2-CB 4.15Å; I144-L156 PolarHBondContact O-N 3.14Å; I144-I158 HydrophobicContact CD1-CD1 3.76Å; I144-I158 HydrophobicContact CD1-CG1 3.39Å; I144-I167 HydrophobicContact CG2-CD1 4.32Å; I144-R294 HydrophobicContact CD1-CB 4.14Å; I144-R294 HydrophobicContact CD1-CG 4.27Å; I144-R294 HydrophobicContact CG1-CB 4.29Å; I144-R294 HydrophobicContact CG1-CG 4.38Å; I144-L298 HydrophobicContact CD1-CD1 4.29Å |
| 145 | H | 91.3 | Very high | 86.5 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.4 | -176.9 | -53.2 | 84.1 | 0 | 0 | 0 | 110 | L137 E138 D143 V152 | L137-H145 CarbonylContact C-O 3.44Å; L137-H145 VanDerWaalsContact CA-O 3.25Å; L137-H145 WeakPolarHBondContact CA-O 3.39Å; L137-H145 WeakPolarHBondContact CB-O 3.43Å; E138-H145 HydrophobicContact CB-CB 4.38Å; E138-H145 PolarHBondContact N-O 2.95Å; E138-H145 PolarHBondContact O-N 3.43Å; D143-H145 VanDerWaalsContact CB-CE1 3.47Å; D143-H145 WeakPolarHBondContact CB-CE1 3.38Å; D143-H145 PolarHBondContact O-CE1 3.43Å; D143-H145 PolarHBondContact O-ND1 2.83Å; H145-V152 WeakPolarHBondContact CB-O 3.4Å; H145-V152 PolarHBondContact CD2-O 3.39Å |
| 146 | D | 92.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.9 | 176.8 | -168 | -21.2 | 0 | 0 | 0 | 109.9 | L148 G149 L156 T171 | D146-L148 PolarHBondContact OD1-N 3.07Å; D146-G149 VanDerWaalsContact CG-N 3.28Å; D146-G149 PolarHBondContact OD1-N 3.19Å; D146-L156 HydrophobicContact CB-CD1 4.08Å; D146-T171 WeakPolarHBondContact OD2-CB 3.43Å; D146-T171 PolarHBondContact OD2-N 3.41Å; D146-T171 PolarHBondContact OD2-OG1 3.16Å |
| 147 | L | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -84.5 | -16.2 | 178.9 | -63.8 | 177.7 | 0 | 0 | 0 | 112.4 | F136 E138 V152 K191 R192 | F136-L147 HydrophobicContact CB-CB 4.22Å; F136-L147 HydrophobicContact CD1-CB 4Å; F136-L147 HydrophobicContact CD1-CD1 3.87Å; F136-L147 HydrophobicContact CD2-CD1 3.85Å; F136-L147 HydrophobicContact CE1-CD1 3.78Å; F136-L147 HydrophobicContact CE2-CD1 3.79Å; F136-L147 HydrophobicContact CG-CB 4.07Å; F136-L147 HydrophobicContact CG-CD1 3.89Å; F136-L147 HydrophobicContact CZ-CD1 3.74Å; F136-L147 WeakPolarHBondContact O-CB 3.38Å; F136-L147 PolarHBondContact O-N 2.95Å; E138-L147 HydrophobicContact CB-CD1 4.07Å; E138-L147 HydrophobicContact CB-CD2 3.94Å; E138-L147 HydrophobicContact CB-CG 4Å; L147-V152 HydrophobicContact CD2-CG1 4.11Å; L147-K191 HydrophobicContact CD2-CB 4.37Å; L147-K191 WeakPolarHBondContact O-CD 3.5Å; L147-K191 PolarHBondContact O-NZ 3.13Å; L147-R192 HydrophobicContact CD1-CB 4.37Å; L147-R192 HydrophobicContact CD2-CB 4.14Å |
| 148 | L | 90.1 | Very high | 85.4 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -93.8 | -30 | 173.6 | -56.8 | -170.2 | 0 | 0 | 0 | 112 | V134 F136 D146 T171 T173 L184 K191 | V134-L148 HydrophobicContact CG1-CD1 4.37Å; F136-L148 HydrophobicContact CB-CD1 4.33Å; F136-L148 HydrophobicContact CB-CD2 3.87Å; F136-L148 HydrophobicContact CB-CG 3.82Å; D146-L148 PolarHBondContact OD1-N 3.07Å; L148-T171 HydrophobicContact CB-CG2 4.19Å; L148-T173 HydrophobicContact CD1-CG2 4.37Å; L148-L184 HydrophobicContact CD1-CD2 4.42Å; L148-L184 HydrophobicContact CD2-CB 4.06Å; L148-L184 HydrophobicContact CD2-CD2 4.13Å; L148-K191 PolarHBondContact O-NZ 2.99Å |
| 149 | G | 83.9 | Confident | 84.9 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -58.8 | 159.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D146 T171 K191 | D146-G149 VanDerWaalsContact CG-N 3.28Å; D146-G149 PolarHBondContact OD1-N 3.19Å; G149-T171 WeakPolarHBondContact CA-OG1 3.38Å; G149-K191 PolarHBondContact O-NZ 3.18Å |
| 150 | E | 78.2 | Confident | 84.1 | Confident | 151 Ų | 151 | 52.6 Ų | 52.6 | 71% | 0.706 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -66.8 | -45.3 | 178.1 | -65.9 | 174.3 | 177.6 | 0 | 0 | 111.8 | ||
| 151 | D | 75 | Confident | 83 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | trans | -100 | 98 | 177.2 | -175.8 | 4.7 | 0 | 0 | 0 | 111.1 | S153 A154 L571 | D151-S153 PolarHBondContact O-N 3.18Å; D151-S153 WeakPolarHBondContact OD1-CA 3.44Å; D151-S153 VanDerWaalsContact OD1-CB 3.28Å; D151-S153 WeakPolarHBondContact OD1-CB 3.36Å; D151-S153 PolarHBondContact OD1-N 3.31Å; D151-A154 HydrophobicContact CB-CB 4.47Å; D151-A154 PolarHBondContact OD1-N 2.92Å; D151-L571 HydrophobicContact CB-CD2 4.29Å | ||
| 152 | V | 74.5 | Confident | 82.1 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -12.1 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | H145 L147 K191 | H145-V152 WeakPolarHBondContact CB-O 3.4Å; H145-V152 PolarHBondContact CD2-O 3.39Å; L147-V152 HydrophobicContact CD2-CG1 4.11Å; V152-K191 HydrophobicContact CG2-CB 4.14Å; V152-K191 HydrophobicContact CG2-CD 3.71Å; V152-K191 HydrophobicContact CG2-CG 4Å |
| 153 | S | 73.3 | Confident | 80.9 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.2 | -178.6 | -47.4 | 0 | 0 | 0 | 0 | 112.9 | D151 S155 | D151-S153 PolarHBondContact O-N 3.18Å; D151-S153 WeakPolarHBondContact OD1-CA 3.44Å; D151-S153 VanDerWaalsContact OD1-CB 3.28Å; D151-S153 WeakPolarHBondContact OD1-CB 3.36Å; D151-S153 PolarHBondContact OD1-N 3.31Å; S153-S155 PolarHBondContact O-N 3.38Å |
| 154 | A | 77.8 | Confident | 80 | Confident | 34 Ų | 34 | 65 Ų | 65 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | trans | -79.1 | 114.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D151 L156 | D151-A154 HydrophobicContact CB-CB 4.47Å; D151-A154 PolarHBondContact OD1-N 2.92Å; A154-L156 PolarHBondContact O-N 3.45Å | ||
| 155 | S | 84.6 | Confident | 79.4 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 124 | 172.8 | -178.7 | 0 | 0 | 0 | 0 | 112 | D143 I144 S153 | D143-S155 VanDerWaalsContact OD1-CB 3.31Å; D143-S155 WeakPolarHBondContact OD1-CB 3.3Å; D143-S155 PolarHBondContact OD1-OG 2.95Å; I144-S155 CarbonylContact O-C 3.58Å; I144-S155 WeakPolarHBondContact O-CA 3.4Å; S153-S155 PolarHBondContact O-N 3.38Å |
| 156 | L | 88.2 | Confident | 78.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 144.3 | 177.8 | -63.9 | -178.9 | 0 | 0 | 0 | 112.1 | I144 D146 A154 I167 L170 | I144-L156 HydrophobicContact CB-CB 4.24Å; I144-L156 HydrophobicContact CG2-CB 4.15Å; I144-L156 PolarHBondContact O-N 3.14Å; D146-L156 HydrophobicContact CB-CD1 4.08Å; A154-L156 PolarHBondContact O-N 3.45Å; L156-I167 HydrophobicContact CB-CG2 3.73Å; L156-I167 HydrophobicContact CD1-CG2 3.78Å; L156-I167 HydrophobicContact CG-CG2 4.37Å; L156-L170 HydrophobicContact CD1-CB 4.26Å; L156-L170 HydrophobicContact CD1-CD1 4.25Å |
| 157 | Q | 86 | Confident | 78.7 | Confident | 136 Ų | 136 | 70.5 Ų | 70.5 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 128.8 | 179.4 | -63.5 | -172.8 | 2.2 | 0 | 0 | 112.4 | R159 P168 | Q157-R159 PolarHBondContact O-N 3.17Å; Q157-P168 VanDerWaalsContact O-CD 3.3Å; Q157-P168 WeakPolarHBondContact O-CD 3.39Å |
| 158 | I | 85.2 | Confident | 78.2 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 127.3 | 170.1 | -54.7 | -176.8 | 0 | 0 | 0 | 111 | I144 V165 R294 R297 L298 | I144-I158 HydrophobicContact CD1-CD1 3.76Å; I144-I158 HydrophobicContact CD1-CG1 3.39Å; I158-V165 HydrophobicContact CG2-CG1 3.44Å; I158-V165 VanDerWaalsContact CG2-CG1 3.44Å; I158-R294 HydrophobicContact CD1-CB 4.01Å; I158-R294 HydrophobicContact CD1-CG 4.41Å; I158-R297 HydrophobicContact CD1-CB 3.92Å; I158-L298 HydrophobicContact CD1-CD1 4.37Å; I158-L298 HydrophobicContact CD1-CD2 4.05Å; I158-L298 HydrophobicContact CD1-CG 3.89Å; I158-L298 HydrophobicContact CG1-CD2 4.48Å |
| 159 | R | 82.3 | Confident | 77.9 | Confident | 149 Ų | 149 | 73.3 Ų | 73.3 | 56% | 0.562 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 152.1 | 164.1 | -67 | -173.3 | -172.8 | 160.1 | 6.4 | 110.6 | Q157 K166 P168 | Q157-R159 PolarHBondContact O-N 3.17Å; R159-K166 PolarHBondContact N-O 3.35Å; R159-K166 PolarHBondContact O-N 3.39Å; R159-P168 HydrophobicContact CB-CG 4.45Å; R159-P168 HydrophobicContact CG-CG 3.85Å |
| 160 | E | 74.1 | Confident | 78.1 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 33% | 0.332 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.5 | 173.6 | -73.8 | 165 | -152.6 | 0 | 0 | 107.9 | R291 R297 | E160-R291 IonicContact OE1-NE 3.46Å; E160-R291 PolarHBondContact OE1-NE 2.87Å; E160-R291 IonicContact OE1-NH2 4Å; E160-R291 IonicContact OE2-CZ 2.7Å; E160-R291 IonicContact OE2-NE 3.96Å; E160-R291 IonicContact OE2-NH2 3.81Å; E160-R291 PolarHBondContact OE2-NH2 2.92Å; E160-R297 IonicContact OE1-CZ 2.9Å; E160-R297 VanDerWaalsContact OE1-CZ 3.24Å; E160-R297 IonicContact OE1-NE 2.84Å; E160-R297 PolarHBondContact OE1-NE 2.95Å; E160-R297 VanDerWaalsContact OE1-NE 3.08Å; E160-R297 IonicContact OE1-NH2 3.84Å; E160-R297 PolarHBondContact OE1-NH2 3.24Å |
| 161 | E | 66.1 | Low | 78.6 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120 | 178.2 | -175.5 | 179.2 | -153.4 | 0 | 0 | 108.1 | Q163 L164 K166 | E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 3.47Å; E161-L164 PolarHBondContact N-O 2.67Å; E161-L164 WeakPolarHBondContact O-CA 3.33Å; E161-L164 WeakPolarHBondContact O-CB 3.25Å; E161-L164 PolarHBondContact O-N 3.27Å; E161-K166 HydrophobicContact CB-CD 4.49Å; E161-K166 WeakPolarHBondContact OE2-CD 3.47Å; E161-K166 WeakPolarHBondContact OE2-CE 3.44Å; E161-K166 IonicContact OE2-NZ 2.92Å; E161-K166 PolarHBondContact OE2-NZ 3.15Å |
| 162 | N | 62.6 | Low | 79.4 | Confident | 156 Ų | 156 | 71.3 Ų | 71.3 | 83% | 0.834 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.9 | -175.6 | -58.9 | -20.3 | 0 | 0 | 0 | 113.8 | L164 | N162-L164 PolarHBondContact O-N 3.28Å; N162-L164 VanDerWaalsContact O-N 3.14Å |
| 163 | Q | 62.2 | Low | 80.1 | Confident | 169 Ų | 169 | 71.8 Ų | 71.8 | 79% | 0.79 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | -4.9 | -172.3 | -50.2 | -177.6 | 11.1 | 0 | 0 | 115.7 | E161 | E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 3.47Å |
| 164 | L | 69 | Low | 81 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 138.9 | 175.1 | -153 | 76.8 | 0 | 0 | 0 | 110.7 | E161 N162 | E161-L164 PolarHBondContact N-O 2.67Å; E161-L164 WeakPolarHBondContact O-CA 3.33Å; E161-L164 WeakPolarHBondContact O-CB 3.25Å; E161-L164 PolarHBondContact O-N 3.27Å; N162-L164 PolarHBondContact O-N 3.28Å; N162-L164 VanDerWaalsContact O-N 3.14Å |
| 165 | V | 79.9 | Confident | 81.6 | Confident | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.8 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | I158 R297 L298 | I158-V165 HydrophobicContact CG2-CG1 3.44Å; I158-V165 VanDerWaalsContact CG2-CG1 3.44Å; V165-R297 WeakPolarHBondContact CG2-O 3.34Å; V165-L298 HydrophobicContact CG1-CD2 3.88Å |
| 166 | K | 80.9 | Confident | 81.7 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.9 | 178.8 | -67.7 | -174.6 | -178.3 | 177.7 | 0 | 110.7 | R159 E161 P168 | R159-K166 PolarHBondContact N-O 3.35Å; R159-K166 PolarHBondContact O-N 3.39Å; E161-K166 HydrophobicContact CB-CD 4.49Å; E161-K166 WeakPolarHBondContact OE2-CD 3.47Å; E161-K166 WeakPolarHBondContact OE2-CE 3.44Å; E161-K166 IonicContact OE2-NZ 2.92Å; E161-K166 PolarHBondContact OE2-NZ 3.15Å; K166-P168 VanDerWaalsContact O-CD 3.22Å; K166-P168 WeakPolarHBondContact O-CD 3.35Å |
| 167 | I | 86.9 | Confident | 81.7 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | trans | -104.4 | 93.9 | 174 | -51.7 | 177.8 | 0 | 0 | 0 | 108.4 | L137 I144 L156 G169 L170 L298 | L137-I167 HydrophobicContact CD2-CD1 3.41Å; L137-I167 VanDerWaalsContact CD2-CD1 3.41Å; I144-I167 HydrophobicContact CG2-CD1 4.32Å; L156-I167 HydrophobicContact CB-CG2 3.73Å; L156-I167 HydrophobicContact CD1-CG2 3.78Å; L156-I167 HydrophobicContact CG-CG2 4.37Å; I167-G169 PolarHBondContact O-N 3.05Å; I167-L170 HydrophobicContact CB-CB 4.07Å; I167-L170 HydrophobicContact CD1-CD2 4.34Å; I167-L170 HydrophobicContact CG2-CB 4.09Å; I167-L170 PolarHBondContact O-N 3.44Å; I167-L298 HydrophobicContact CD1-CD1 4.18Å; I167-L298 HydrophobicContact CD1-CD2 3.66Å; I167-L298 HydrophobicContact CG1-CD2 3.92Å | ||
| 168 | P | 81.1 | Confident | 81.8 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 33% | 0.331 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 129.4 | 171.2 | 26.4 | -38 | 0 | 0 | 0 | 110.5 | Q157 R159 K166 | Q157-P168 VanDerWaalsContact O-CD 3.3Å; Q157-P168 WeakPolarHBondContact O-CD 3.39Å; R159-P168 HydrophobicContact CB-CG 4.45Å; R159-P168 HydrophobicContact CG-CG 3.85Å; K166-P168 VanDerWaalsContact O-CD 3.22Å; K166-P168 WeakPolarHBondContact O-CD 3.35Å |
| 169 | G | 83 | Confident | 82.1 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I167 T171 R574 | I167-G169 PolarHBondContact O-N 3.05Å; G169-T171 PolarHBondContact O-N 3.14Å; G169-R574 VanDerWaalsContact CA-NH2 3.33Å; G169-R574 PolarHBondContact O-NH1 3.06Å; G169-R574 PolarHBondContact O-NH2 3.46Å |
| 170 | L | 88.3 | Confident | 82.4 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | trans | -63.8 | 133.3 | 168 | -176.9 | 64.6 | 0 | 0 | 0 | 110.4 | L137 L156 I167 E172 | L137-L170 HydrophobicContact CB-CD1 4.08Å; L137-L170 HydrophobicContact CD2-CD1 4.16Å; L137-L170 HydrophobicContact CD2-CD2 4.14Å; L156-L170 HydrophobicContact CD1-CB 4.26Å; L156-L170 HydrophobicContact CD1-CD1 4.25Å; I167-L170 HydrophobicContact CB-CB 4.07Å; I167-L170 HydrophobicContact CD1-CD2 4.34Å; I167-L170 HydrophobicContact CG2-CB 4.09Å; I167-L170 PolarHBondContact O-N 3.44Å; L170-E172 PolarHBondContact O-N 3.45Å | ||
| 171 | T | 90.4 | Very high | 83.2 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 26% | 0.258 | 36% | 0.357 | S | S | . | . | trans | -76.9 | 113.7 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | S135 D146 L148 G149 G169 T173 | S135-T171 WeakPolarHBondContact CB-O 3.26Å; D146-T171 WeakPolarHBondContact OD2-CB 3.43Å; D146-T171 PolarHBondContact OD2-N 3.41Å; D146-T171 PolarHBondContact OD2-OG1 3.16Å; L148-T171 HydrophobicContact CB-CG2 4.19Å; G149-T171 WeakPolarHBondContact CA-OG1 3.38Å; G169-T171 PolarHBondContact O-N 3.14Å; T171-T173 HydrophobicContact CG2-CG2 4.29Å | ||
| 172 | E | 91.3 | Very high | 84.4 | Confident | 105 Ų | 105 | 64.4 Ų | 64.4 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | trans | -103.3 | 109.7 | 173.5 | -67 | -176.9 | 168.8 | 0 | 0 | 109.8 | K133 L170 | K133-E172 HydrophobicContact CD-CB 4.36Å; K133-E172 WeakPolarHBondContact CD-OE2 3.35Å; K133-E172 WeakPolarHBondContact CE-OE2 3.18Å; K133-E172 IonicContact NZ-OE2 2.99Å; K133-E172 PolarHBondContact NZ-OE2 3.47Å; L170-E172 PolarHBondContact O-N 3.45Å | ||
| 173 | T | 89.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.3 | 176.4 | 49.5 | 0 | 0 | 0 | 0 | 110 | K133 V134 L148 T171 L184 | K133-T173 CarbonylContact C-O 3.56Å; K133-T173 VanDerWaalsContact CA-O 3.25Å; K133-T173 WeakPolarHBondContact CA-O 3.41Å; V134-T173 PolarHBondContact N-O 3.14Å; V134-T173 PolarHBondContact O-N 2.98Å; V134-T173 PolarHBondContact O-OG1 2.8Å; V134-T173 VanDerWaalsContact O-OG1 3.09Å; L148-T173 HydrophobicContact CD1-CG2 4.37Å; T171-T173 HydrophobicContact CG2-CG2 4.29Å; T173-L184 HydrophobicContact CG2-CD2 4.23Å; T173-L184 VanDerWaalsContact OG1-CD1 3.22Å; T173-L184 WeakPolarHBondContact OG1-CD1 3.35Å |
| 174 | V | 91 | Very high | 87.1 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135.1 | 170.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | T131 V132 K133 | T131-V174 HydrophobicContact CG2-CG1 4.26Å; V132-V174 WeakPolarHBondContact O-CA 3.21Å; K133-V174 HydrophobicContact CG-CG2 4.06Å |
| 175 | V | 90.6 | Very high | 88.1 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | F120 V132 V134 E180 V181 L184 | F120-V175 HydrophobicContact CZ-CG2 4.08Å; V132-V175 HydrophobicContact CB-CG2 3.66Å; V132-V175 HydrophobicContact CG1-CG2 3.6Å; V132-V175 PolarHBondContact O-N 2.88Å; V134-V175 HydrophobicContact CB-CG1 4.49Å; V134-V175 HydrophobicContact CG2-CB 4.34Å; V134-V175 HydrophobicContact CG2-CG1 3.74Å; V134-V175 HydrophobicContact CG2-CG2 3.62Å; V175-E180 WeakPolarHBondContact CA-OE2 3.45Å; V175-E180 HydrophobicContact CB-CB 4.27Å; V175-E180 HydrophobicContact CG1-CB 4.13Å; V175-V181 HydrophobicContact CB-CG2 4.1Å; V175-V181 HydrophobicContact CG1-CG2 4.24Å; V175-V181 HydrophobicContact CG2-CG2 3.73Å; V175-L184 HydrophobicContact CG1-CD1 3.57Å |
| 176 | T | 87 | Confident | 88.5 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -122.3 | -24.6 | -175.7 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | F120 E180 | F120-T176 WeakPolarHBondContact CE1-O 3.34Å; T176-E180 PolarHBondContact N-OE2 2.96Å; T176-E180 PolarHBondContact OG1-OE1 3.44Å; T176-E180 PolarHBondContact OG1-OE2 3.2Å; T176-E180 VanDerWaalsContact OG1-OE2 3.12Å |
| 177 | S | 87.5 | Confident | 88.8 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -125.9 | 155.9 | 179.7 | 106.5 | 0 | 0 | 0 | 0 | 112.6 | E179 E180 | S177-E179 VanDerWaalsContact C-N 3.29Å; S177-E179 WeakPolarHBondContact CB-OE2 3.42Å; S177-E179 PolarHBondContact O-N 2.87Å; S177-E179 PolarHBondContact OG-N 3.35Å; S177-E179 PolarHBondContact OG-OE2 3.17Å; S177-E180 PolarHBondContact N-OE2 3.43Å; S177-E180 PolarHBondContact O-N 2.91Å; S177-E180 PolarHBondContact OG-N 3.38Å |
| 178 | P | 89.5 | Confident | 88.8 | Confident | 28 Ų | 28 | 52 Ų | 52 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -32.8 | 173.9 | 25.4 | -31.2 | 0 | 0 | 0 | 112.2 | I116 F120 E180 V181 L182 | I116-P178 HydrophobicContact CG2-CB 3.68Å; F120-P178 HydrophobicContact CB-CB 4.16Å; F120-P178 HydrophobicContact CB-CG 4.11Å; F120-P178 HydrophobicContact CD2-CB 3.82Å; F120-P178 HydrophobicContact CE2-CB 4.45Å; F120-P178 HydrophobicContact CG-CB 4.06Å; F120-P178 HydrophobicContact CG-CG 4.3Å; P178-E180 VanDerWaalsContact C-N 3.34Å; P178-E180 PolarHBondContact O-N 2.87Å; P178-V181 PolarHBondContact O-N 3.48Å; P178-L182 WeakPolarHBondContact O-CG 3.3Å; P178-L182 PolarHBondContact O-N 2.94Å |
| 179 | E | 90.2 | Very high | 89 | Confident | 124 Ų | 124 | 49.8 Ų | 49.8 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | 176.9 | -57.9 | 72.5 | -155.9 | 0 | 0 | 112 | S177 V181 L182 Y183 | S177-E179 VanDerWaalsContact C-N 3.29Å; S177-E179 WeakPolarHBondContact CB-OE2 3.42Å; S177-E179 PolarHBondContact O-N 2.87Å; S177-E179 PolarHBondContact OG-N 3.35Å; S177-E179 PolarHBondContact OG-OE2 3.17Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 PolarHBondContact O-N 3.35Å; E179-L182 PolarHBondContact O-N 3.41Å; E179-Y183 WeakPolarHBondContact O-CB 3.44Å; E179-Y183 PolarHBondContact O-N 3.46Å |
| 180 | E | 90.3 | Very high | 89 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 174.5 | -68.7 | 175.6 | 161.9 | 0 | 0 | 111.6 | V175 T176 S177 P178 Y183 L184 | V175-E180 WeakPolarHBondContact CA-OE2 3.45Å; V175-E180 HydrophobicContact CB-CB 4.27Å; V175-E180 HydrophobicContact CG1-CB 4.13Å; T176-E180 PolarHBondContact N-OE2 2.96Å; T176-E180 PolarHBondContact OG1-OE1 3.44Å; T176-E180 PolarHBondContact OG1-OE2 3.2Å; T176-E180 VanDerWaalsContact OG1-OE2 3.12Å; S177-E180 PolarHBondContact N-OE2 3.43Å; S177-E180 PolarHBondContact O-N 2.91Å; S177-E180 PolarHBondContact OG-N 3.38Å; P178-E180 VanDerWaalsContact C-N 3.34Å; P178-E180 PolarHBondContact O-N 2.87Å; E180-Y183 PolarHBondContact O-N 2.99Å; E180-L184 WeakPolarHBondContact O-CB 3.3Å; E180-L184 WeakPolarHBondContact O-CD1 3.47Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.36Å; E180-L184 PolarHBondContact O-N 3.24Å |
| 181 | V | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | I116 F120 V134 V175 P178 E179 Y183 L184 L185 L212 | I116-V181 HydrophobicContact CD1-CB 4.14Å; I116-V181 HydrophobicContact CD1-CG1 3.5Å; I116-V181 HydrophobicContact CG1-CB 4.49Å; I116-V181 HydrophobicContact CG1-CG1 3.95Å; I116-V181 HydrophobicContact CG2-CB 3.95Å; I116-V181 HydrophobicContact CG2-CG1 4.33Å; I116-V181 HydrophobicContact CG2-CG2 4.33Å; F120-V181 HydrophobicContact CE2-CG2 3.79Å; F120-V181 HydrophobicContact CZ-CG2 4.03Å; V134-V181 HydrophobicContact CG1-CG1 4.35Å; V134-V181 HydrophobicContact CG2-CB 4.47Å; V134-V181 HydrophobicContact CG2-CG1 3.95Å; V134-V181 HydrophobicContact CG2-CG2 3.95Å; V175-V181 HydrophobicContact CB-CG2 4.1Å; V175-V181 HydrophobicContact CG1-CG2 4.24Å; V175-V181 HydrophobicContact CG2-CG2 3.73Å; P178-V181 PolarHBondContact O-N 3.48Å; E179-V181 VanDerWaalsContact C-N 3.3Å; E179-V181 PolarHBondContact O-N 3.35Å; V181-Y183 VanDerWaalsContact C-N 3.34Å; V181-L184 PolarHBondContact O-N 3.41Å; V181-L185 VanDerWaalsContact O-CB 3.29Å; V181-L185 WeakPolarHBondContact O-CB 3.5Å; V181-L185 PolarHBondContact O-N 3.08Å; V181-L212 HydrophobicContact CG1-CD2 4.38Å |
| 182 | L | 90.4 | Very high | 88.6 | Confident | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.277 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 176.5 | -65.5 | 175.4 | 0 | 0 | 0 | 111.8 | I100 P113 I116 P178 E179 L185 H186 | I100-L182 HydrophobicContact CD1-CD2 4.01Å; P113-L182 HydrophobicContact CB-CD2 3.65Å; I116-L182 HydrophobicContact CD1-CD2 3.99Å; P178-L182 WeakPolarHBondContact O-CG 3.3Å; P178-L182 PolarHBondContact O-N 2.94Å; E179-L182 PolarHBondContact O-N 3.41Å; L182-L185 PolarHBondContact O-N 2.96Å; L182-H186 WeakPolarHBondContact O-CB 3.45Å; L182-H186 PolarHBondContact O-N 3.48Å |
| 183 | Y | 89.8 | Confident | 87.3 | Confident | 155 Ų | 155 | 48.4 Ų | 48.4 | 61% | 0.608 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 173.8 | 175.9 | -102.9 | 0 | 0 | 0 | 111.8 | E179 E180 V181 L185 H186 C187 | E179-Y183 WeakPolarHBondContact O-CB 3.44Å; E179-Y183 PolarHBondContact O-N 3.46Å; E180-Y183 PolarHBondContact O-N 2.99Å; V181-Y183 VanDerWaalsContact C-N 3.34Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.96Å; Y183-H186 PolarHBondContact O-N 3.27Å; Y183-C187 WeakPolarHBondContact O-CB 3.46Å; Y183-C187 PolarHBondContact O-N 3Å; Y183-C187 PolarHBondContact O-SG 3.39Å |
| 184 | L | 91.2 | Very high | 85.7 | Confident | 29 Ų | 29 | 52 Ų | 52 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 175.6 | -71 | 165.5 | 0 | 0 | 0 | 112.2 | V134 L148 T173 V175 E180 V181 C187 G188 | V134-L184 HydrophobicContact CB-CD1 4.2Å; V134-L184 HydrophobicContact CG2-CD1 4.45Å; L148-L184 HydrophobicContact CD1-CD2 4.42Å; L148-L184 HydrophobicContact CD2-CB 4.06Å; L148-L184 HydrophobicContact CD2-CD2 4.13Å; T173-L184 HydrophobicContact CG2-CD2 4.23Å; T173-L184 VanDerWaalsContact OG1-CD1 3.22Å; T173-L184 WeakPolarHBondContact OG1-CD1 3.35Å; V175-L184 HydrophobicContact CG1-CD1 3.57Å; E180-L184 WeakPolarHBondContact O-CB 3.3Å; E180-L184 WeakPolarHBondContact O-CD1 3.47Å; E180-L184 VanDerWaalsContact O-CG 3.25Å; E180-L184 WeakPolarHBondContact O-CG 3.36Å; E180-L184 PolarHBondContact O-N 3.24Å; V181-L184 PolarHBondContact O-N 3.41Å; L184-C187 PolarHBondContact O-N 3.43Å; L184-G188 PolarHBondContact O-N 3.03Å |
| 185 | L | 90.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.8 | 174 | 57.2 | 0 | 0 | 0 | 111.5 | T98 I100 V112 F136 V181 L182 Y183 G188 S189 L210 | T98-L185 HydrophobicContact CG2-CD1 4.18Å; I100-L185 HydrophobicContact CD1-CD2 3.85Å; I100-L185 HydrophobicContact CD1-CG 4.2Å; V112-L185 HydrophobicContact CB-CD2 4.37Å; V112-L185 HydrophobicContact CG1-CD2 3.51Å; F136-L185 HydrophobicContact CD1-CD1 4.45Å; F136-L185 HydrophobicContact CE1-CD1 3.73Å; F136-L185 HydrophobicContact CZ-CD1 3.9Å; V181-L185 VanDerWaalsContact O-CB 3.29Å; V181-L185 WeakPolarHBondContact O-CB 3.5Å; V181-L185 PolarHBondContact O-N 3.08Å; L182-L185 PolarHBondContact O-N 2.96Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.96Å; L185-G188 PolarHBondContact O-N 3.24Å; L185-S189 VanDerWaalsContact O-CB 3.31Å; L185-S189 WeakPolarHBondContact O-CB 3.49Å; L185-S189 PolarHBondContact O-N 3.36Å; L185-S189 PolarHBondContact O-OG 3.24Å; L185-L210 HydrophobicContact CD1-CD2 4.32Å |
| 186 | H | 87.6 | Confident | 81.5 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 175.3 | 177 | 85.4 | 0 | 0 | 0 | 111.1 | I100 L182 Y183 G188 S189 T190 | I100-H186 PolarHBondContact O-ND1 3.24Å; L182-H186 WeakPolarHBondContact O-CB 3.45Å; L182-H186 PolarHBondContact O-N 3.48Å; Y183-H186 PolarHBondContact O-N 3.27Å; H186-G188 PolarHBondContact O-N 3.4Å; H186-S189 PolarHBondContact O-N 2.79Å; H186-T190 WeakPolarHBondContact O-CB 3.31Å; H186-T190 PolarHBondContact O-N 3.01Å; H186-T190 PolarHBondContact O-OG1 2.95Å |
| 187 | C | 87.3 | Confident | 79.2 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 22% | 0.223 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 177.8 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | Y183 L184 T190 K191 | Y183-C187 WeakPolarHBondContact O-CB 3.46Å; Y183-C187 PolarHBondContact O-N 3Å; Y183-C187 PolarHBondContact O-SG 3.39Å; L184-C187 PolarHBondContact O-N 3.43Å; C187-T190 PolarHBondContact O-N 2.68Å; C187-K191 WeakPolarHBondContact O-CG 3.36Å; C187-K191 PolarHBondContact O-N 2.87Å |
| 188 | G | 88.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L184 L185 H186 K191 R192 | L184-G188 PolarHBondContact O-N 3.03Å; L185-G188 PolarHBondContact O-N 3.24Å; H186-G188 PolarHBondContact O-N 3.4Å; G188-K191 PolarHBondContact O-N 3.28Å; G188-R192 WeakPolarHBondContact O-CB 3.36Å; G188-R192 PolarHBondContact O-N 3.43Å |
| 189 | S | 85.4 | Confident | 74.1 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.2 | -35.2 | 174.8 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | T98 L185 H186 R192 S193 | T98-S189 WeakPolarHBondContact O-CB 3.27Å; T98-S189 PolarHBondContact O-OG 3.02Å; L185-S189 VanDerWaalsContact O-CB 3.31Å; L185-S189 WeakPolarHBondContact O-CB 3.49Å; L185-S189 PolarHBondContact O-N 3.36Å; L185-S189 PolarHBondContact O-OG 3.24Å; H186-S189 PolarHBondContact O-N 2.79Å; S189-R192 PolarHBondContact O-N 2.86Å; S189-S193 WeakPolarHBondContact O-CB 3.25Å; S189-S193 PolarHBondContact O-N 3.42Å; S189-S193 VanDerWaalsContact O-N 3.07Å; S189-S193 PolarHBondContact O-OG 2.9Å |
| 190 | T | 82.8 | Confident | 71.8 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 171.2 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | H186 C187 R192 S193 V194 | H186-T190 WeakPolarHBondContact O-CB 3.31Å; H186-T190 PolarHBondContact O-N 3.01Å; H186-T190 PolarHBondContact O-OG1 2.95Å; C187-T190 PolarHBondContact O-N 2.68Å; T190-R192 PolarHBondContact O-N 3.36Å; T190-S193 CarbonylContact O-C 3.53Å; T190-S193 WeakPolarHBondContact O-CA 3.35Å; T190-S193 PolarHBondContact O-N 3.04Å; T190-V194 HydrophobicContact CG2-CG2 4.15Å; T190-V194 WeakPolarHBondContact O-CG2 3.5Å; T190-V194 PolarHBondContact O-N 2.93Å |
| 191 | K | 84.5 | Confident | 70.2 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 173.2 | -76.1 | 166.6 | 170.8 | -172.1 | 0 | 113.2 | L147 L148 G149 V152 C187 G188 S193 A195 | L147-K191 HydrophobicContact CD2-CB 4.37Å; L147-K191 WeakPolarHBondContact O-CD 3.5Å; L147-K191 PolarHBondContact O-NZ 3.13Å; L148-K191 PolarHBondContact O-NZ 2.99Å; G149-K191 PolarHBondContact O-NZ 3.18Å; V152-K191 HydrophobicContact CG2-CB 4.14Å; V152-K191 HydrophobicContact CG2-CD 3.71Å; V152-K191 HydrophobicContact CG2-CG 4Å; C187-K191 WeakPolarHBondContact O-CG 3.36Å; C187-K191 PolarHBondContact O-N 2.87Å; G188-K191 PolarHBondContact O-N 3.28Å; K191-S193 PolarHBondContact O-N 3.41Å; K191-A195 PolarHBondContact O-N 3.43Å |
| 192 | R | 84.4 | Confident | 68.9 | Low | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.4 | -33.5 | 172.3 | -169.7 | -173.2 | -177.8 | -165.8 | 6.1 | 112 | E138 L147 G188 S189 T190 S203 S206 D240 | E138-R192 WeakPolarHBondContact OE1-CG 3.48Å; L147-R192 HydrophobicContact CD1-CB 4.37Å; L147-R192 HydrophobicContact CD2-CB 4.14Å; G188-R192 WeakPolarHBondContact O-CB 3.36Å; G188-R192 PolarHBondContact O-N 3.43Å; S189-R192 PolarHBondContact O-N 2.86Å; T190-R192 PolarHBondContact O-N 3.36Å; R192-S203 PolarHBondContact NH2-O 3.39Å; R192-S206 PolarHBondContact NE-OG 3.31Å; R192-S206 PolarHBondContact NH2-O 3.38Å; R192-D240 IonicContact CZ-OD2 2.69Å; R192-D240 IonicContact NH1-OD2 3.55Å; R192-D240 PolarHBondContact NH1-OD2 2.99Å; R192-D240 IonicContact NH2-OD2 3.38Å |
| 193 | S | 63.9 | Low | 68 | Low | 50 Ų | 50 | 59.7 Ų | 59.7 | 35% | 0.35 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -89.4 | -35 | -176 | -53.7 | 0 | 0 | 0 | 0 | 114 | S189 T190 K191 A195 S196 | S189-S193 WeakPolarHBondContact O-CB 3.25Å; S189-S193 PolarHBondContact O-N 3.42Å; S189-S193 VanDerWaalsContact O-N 3.07Å; S189-S193 PolarHBondContact O-OG 2.9Å; T190-S193 CarbonylContact O-C 3.53Å; T190-S193 WeakPolarHBondContact O-CA 3.35Å; T190-S193 PolarHBondContact O-N 3.04Å; K191-S193 PolarHBondContact O-N 3.41Å; S193-A195 VanDerWaalsContact C-N 3.29Å; S193-A195 PolarHBondContact O-N 3.29Å; S193-S196 PolarHBondContact O-N 3.03Å; S193-S196 PolarHBondContact O-OG 3.46Å |
| 194 | V | 56 | Low | 67.5 | Low | 114 Ų | 114 | 53.7 Ų | 53.7 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -69.2 | -28.7 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | T190 S196 | T190-V194 HydrophobicContact CG2-CG2 4.15Å; T190-V194 WeakPolarHBondContact O-CG2 3.5Å; T190-V194 PolarHBondContact O-N 2.93Å; V194-S196 PolarHBondContact O-N 3.24Å; V194-S196 VanDerWaalsContact O-N 3.14Å |
| 195 | A | 52.2 | Low | 67.1 | Low | 57 Ų | 57 | 55 Ų | 55 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K191 S193 K202 | K191-A195 PolarHBondContact O-N 3.43Å; S193-A195 VanDerWaalsContact C-N 3.29Å; S193-A195 PolarHBondContact O-N 3.29Å; A195-K202 HydrophobicContact CB-CD 3.67Å |
| 196 | S | 41.7 | Very low | 67 | Low | 33 Ų | 33 | 55 Ų | 55 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | trans | -94.6 | 101.4 | 164.1 | 28.9 | 0 | 0 | 0 | 0 | 111.7 | S193 V194 N200 | S193-S196 PolarHBondContact O-N 3.03Å; S193-S196 PolarHBondContact O-OG 3.46Å; V194-S196 PolarHBondContact O-N 3.24Å; V194-S196 VanDerWaalsContact O-N 3.14Å; S196-N200 WeakPolarHBondContact CB-O 3.22Å | ||
| 197 | T | 38.7 | Very low | 67.2 | Low | 104 Ų | 104 | 52.7 Ų | 52.7 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | trans | -51 | 141.6 | 148.3 | 53.4 | 0 | 0 | 0 | 0 | 108.9 | M199 N200 | T197-M199 PolarHBondContact O-N 3.09Å; T197-N200 PolarHBondContact O-N 2.65Å; T197-N200 VanDerWaalsContact O-N 3.1Å | ||
| 198 | A | 34.9 | Very low | 67.5 | Low | 109 Ų | 109 | 51.2 Ų | 51.2 | 90% | 0.901 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -18.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N200 | A198-N200 PolarHBondContact O-N 2.88Š|
| 199 | M | 36 | Very low | 67.8 | Low | 159 Ų | 159 | 51.4 Ų | 51.4 | 78% | 0.783 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14 | 178.8 | -151.2 | 179.6 | -153.6 | 0 | 0 | 115.8 | T197 R256 | T197-M199 PolarHBondContact O-N 3.09Å; M199-R256 PolarHBondContact O-NH2 3.41Å |
| 200 | N | 41.1 | Very low | 68.2 | Low | 48 Ų | 48 | 51.2 Ų | 51.2 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -145.3 | 117 | 177.9 | -66 | -65.6 | 0 | 0 | 0 | 111 | S196 T197 A198 K202 R256 | S196-N200 WeakPolarHBondContact CB-O 3.22Å; T197-N200 PolarHBondContact O-N 2.65Å; T197-N200 VanDerWaalsContact O-N 3.1Å; A198-N200 PolarHBondContact O-N 2.88Å; N200-K202 PolarHBondContact O-N 2.79Å; N200-R256 PolarHBondContact OD1-NH2 2.83Å |
| 201 | L | 56.5 | Low | 68.8 | Low | 122 Ų | 122 | 49.1 Ų | 49.1 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | trans | -65 | 96.7 | 165.4 | -91.5 | 80.4 | 0 | 0 | 0 | 109.6 | S203 S204 | L201-S203 PolarHBondContact O-N 2.77Å; L201-S204 PolarHBondContact O-OG 3.47Å; L201-S204 VanDerWaalsContact O-OG 3.05Å | ||
| 202 | K | 63.9 | Low | 69.3 | Low | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -33 | 179.6 | -167.8 | -170.8 | -176.1 | -161.3 | 0 | 111.5 | E138 Y140 A195 N200 S204 R205 S206 | E138-K202 WeakPolarHBondContact OE1-CE 3.49Å; E138-K202 IonicContact OE1-NZ 3.3Å; E138-K202 WeakPolarHBondContact OE2-CE 3.48Å; E138-K202 IonicContact OE2-NZ 3.91Å; E138-K202 PolarHBondContact OE2-NZ 2.95Å; Y140-K202 HydrophobicContact CD2-CG 4.27Å; Y140-K202 HydrophobicContact CE2-CG 4.31Å; A195-K202 HydrophobicContact CB-CD 3.67Å; N200-K202 PolarHBondContact O-N 2.79Å; K202-S204 VanDerWaalsContact C-N 3.29Å; K202-S204 PolarHBondContact O-N 2.96Å; K202-R205 CarbonylContact O-C 3.59Å; K202-R205 WeakPolarHBondContact O-CA 3.45Å; K202-R205 PolarHBondContact O-N 3.02Å; K202-S206 PolarHBondContact O-N 3.04Å; K202-S206 PolarHBondContact O-OG 3.49Å |
| 203 | S | 72.4 | Confident | 69.7 | Low | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -27 | -177.5 | 57.5 | 0 | 0 | 0 | 0 | 115 | R192 L201 | R192-S203 PolarHBondContact NH2-O 3.39Å; L201-S203 PolarHBondContact O-N 2.77Å |
| 204 | S | 78.9 | Confident | 71.1 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.2 | -19.5 | 173.3 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | L201 K202 A242 G243 | L201-S204 PolarHBondContact O-OG 3.47Å; L201-S204 VanDerWaalsContact O-OG 3.05Å; K202-S204 VanDerWaalsContact C-N 3.29Å; K202-S204 PolarHBondContact O-N 2.96Å; S204-A242 CarbonylContact O-C 3.53Å; S204-A242 WeakPolarHBondContact O-CA 3.4Å; S204-G243 PolarHBondContact O-N 2.96Å |
| 205 | R | 82.7 | Confident | 72.7 | Confident | 58 Ų | 58 | 41.5 Ų | 41.5 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -103.7 | -2.3 | -171.9 | -68.9 | -176.2 | 170.5 | -167.1 | -1.5 | 114.1 | Y140 K202 E259 I263 | Y140-R205 HydrophobicContact CD2-CB 4.48Å; Y140-R205 HydrophobicContact CE2-CB 4.16Å; K202-R205 CarbonylContact O-C 3.59Å; K202-R205 WeakPolarHBondContact O-CA 3.45Å; K202-R205 PolarHBondContact O-N 3.02Å; R205-E259 IonicContact CZ-OE1 2.78Å; R205-E259 IonicContact NH1-OE1 3.59Å; R205-E259 PolarHBondContact NH1-OE1 2.66Å; R205-E259 IonicContact NH1-OE2 3.63Å; R205-E259 PolarHBondContact NH1-OE2 3.15Å; R205-I263 HydrophobicContact CB-CD1 3.6Å; R205-I263 HydrophobicContact CB-CG1 4.26Å; R205-I263 HydrophobicContact CG-CD1 3.71Å; R205-I263 WeakPolarHBondContact O-CG2 3.46Å |
| 206 | S | 88.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -123.8 | 147.7 | -179.1 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | E138 I139 R192 K202 | E138-S206 WeakPolarHBondContact OE1-CB 3.38Å; E138-S206 PolarHBondContact OE1-OG 3.45Å; I139-S206 CarbonylContact O-C 3.58Å; I139-S206 VanDerWaalsContact O-CA 3.31Å; I139-S206 WeakPolarHBondContact O-CA 3.34Å; I139-S206 WeakPolarHBondContact O-CB 3.36Å; R192-S206 PolarHBondContact NE-OG 3.31Å; R192-S206 PolarHBondContact NH2-O 3.38Å; K202-S206 PolarHBondContact O-N 3.04Å; K202-S206 PolarHBondContact O-OG 3.49Å |
| 207 | H | 91.5 | Very high | 76.4 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126 | 171.2 | -48.6 | -85 | 0 | 0 | 0 | 108.9 | E138 I139 D240 L241 A242 L295 | E138-H207 CarbonylContact C-O 3.48Å; E138-H207 WeakPolarHBondContact CA-O 3.45Å; I139-H207 HydrophobicContact CB-CB 4.18Å; I139-H207 PolarHBondContact N-O 2.79Å; I139-H207 PolarHBondContact O-N 2.78Å; H207-D240 CarbonylContact C-O 3.56Å; H207-D240 WeakPolarHBondContact CA-O 3.48Å; H207-L241 HydrophobicContact CB-CD2 4.3Å; H207-L241 VanDerWaalsContact ND1-CD2 3.34Å; H207-L241 WeakPolarHBondContact ND1-CD2 3.46Å; H207-A242 PolarHBondContact ND1-N 2.98Å; H207-A242 VanDerWaalsContact ND1-N 3.15Å; H207-L295 HydrophobicContact CB-CD1 4.26Å |
| 208 | A | 92.1 | Very high | 78.4 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F136 L137 V239 D240 | F136-A208 HydrophobicContact CE2-CB 3.92Å; F136-A208 HydrophobicContact CZ-CB 4.37Å; L137-A208 WeakPolarHBondContact O-CA 3.32Å; A208-V239 CarbonylContact O-C 3.53Å; A208-V239 WeakPolarHBondContact O-CA 3.34Å; A208-D240 HydrophobicContact CB-CB 4.4Å; A208-D240 PolarHBondContact N-O 3.47Å; A208-D240 PolarHBondContact O-N 3.42Å |
| 209 | I | 94.7 | Very high | 80.4 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 102.4 | -178.3 | -57.3 | -175.4 | 0 | 0 | 0 | 108.5 | L137 I139 V239 L295 L298 | L137-I209 HydrophobicContact CD1-CB 3.77Å; L137-I209 HydrophobicContact CD1-CD1 4.12Å; L137-I209 HydrophobicContact CD1-CG1 4.07Å; L137-I209 HydrophobicContact CG-CB 4.01Å; L137-I209 PolarHBondContact N-O 3.19Å; L137-I209 PolarHBondContact O-N 2.71Å; I139-I209 HydrophobicContact CD1-CD1 3.97Å; I209-V239 HydrophobicContact CB-CG2 4.45Å; I209-V239 HydrophobicContact CG1-CG1 4.03Å; I209-V239 HydrophobicContact CG1-CG2 4.08Å; I209-V239 HydrophobicContact CG2-CG2 4.12Å; I209-L295 HydrophobicContact CD1-CD1 4.27Å; I209-L298 HydrophobicContact CD1-CB 4.41Å; I209-L298 HydrophobicContact CD1-CD1 4.27Å |
| 210 | L | 95 | Very high | 81.8 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.3 | 168.4 | 178.1 | 70.8 | 0 | 0 | 0 | 108 | V112 V134 F136 L185 L212 L238 | V112-L210 HydrophobicContact CG1-CD2 3.61Å; V134-L210 HydrophobicContact CG1-CD1 3.67Å; F136-L210 HydrophobicContact CB-CD1 3.88Å; F136-L210 HydrophobicContact CD1-CD1 4.45Å; F136-L210 HydrophobicContact CD2-CB 3.8Å; F136-L210 HydrophobicContact CD2-CD1 4.13Å; F136-L210 HydrophobicContact CE2-CB 4.04Å; F136-L210 HydrophobicContact CG-CB 4.46Å; F136-L210 HydrophobicContact CG-CD1 3.93Å; L185-L210 HydrophobicContact CD1-CD2 4.32Å; L210-L212 HydrophobicContact CD2-CD1 4.13Å; L210-L212 HydrophobicContact CG-CD1 4Å; L210-L238 HydrophobicContact CB-CB 4.24Å; L210-L238 HydrophobicContact CD2-CD1 4.1Å; L210-L238 PolarHBondContact N-O 3.03Å; L210-L238 PolarHBondContact O-N 3.43Å |
| 211 | T | 95.3 | Very high | 82.3 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122 | -179.6 | -60 | 0 | 0 | 0 | 0 | 110.4 | S135 L236 H237 | S135-T211 PolarHBondContact N-O 3.49Å; S135-T211 PolarHBondContact O-N 2.7Å; S135-T211 PolarHBondContact OG-O 3.39Å; T211-L236 CarbonylContact C-O 3.58Å; T211-L236 VanDerWaalsContact CA-O 3.32Å; T211-L236 WeakPolarHBondContact CA-O 3.49Å; T211-H237 VanDerWaalsContact CG2-CE1 3.41Å; T211-H237 WeakPolarHBondContact CG2-CE1 3.49Å; T211-H237 WeakPolarHBondContact CG2-ND1 3.42Å; T211-H237 PolarHBondContact OG1-ND1 3.19Å |
| 212 | L | 95.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.7 | 169.7 | -67.2 | 79.9 | 0 | 0 | 0 | 108.6 | V132 K133 V134 V181 L210 F214 K235 L236 L238 | V132-L212 HydrophobicContact CG1-CD2 4.38Å; K133-L212 CarbonylContact O-C 3.58Å; K133-L212 VanDerWaalsContact O-CA 3.32Å; K133-L212 WeakPolarHBondContact O-CA 3.42Å; V134-L212 HydrophobicContact CG2-CG 4.43Å; V181-L212 HydrophobicContact CG1-CD2 4.38Å; L210-L212 HydrophobicContact CD2-CD1 4.13Å; L210-L212 HydrophobicContact CG-CD1 4Å; L212-F214 HydrophobicContact CB-CE1 4.47Å; L212-F214 HydrophobicContact CB-CE2 3.63Å; L212-F214 HydrophobicContact CB-CZ 3.52Å; L212-F214 HydrophobicContact CD2-CZ 3.88Å; L212-F214 HydrophobicContact CG-CZ 4.37Å; L212-F214 WeakPolarHBondContact O-CE2 3.5Å; L212-K235 WeakPolarHBondContact O-CA 3.48Å; L212-L236 HydrophobicContact CB-CB 4.34Å; L212-L236 HydrophobicContact CD1-CD2 4.46Å; L212-L236 PolarHBondContact N-O 2.97Å; L212-L236 PolarHBondContact O-N 2.78Å; L212-L238 HydrophobicContact CD1-CD1 4.08Å |
| 213 | C | 92.7 | Very high | 80.7 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.5 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | K133 | K133-C213 HydrophobicContact CB-CB 4.28Å; K133-C213 PolarHBondContact N-O 2.98Å; K133-C213 PolarHBondContact O-N 3.45Å |
| 214 | F | 92.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.1 | -179.4 | -52.7 | -90.8 | 0 | 0 | 0 | 108.9 | I74 L119 M123 V132 L212 L216 T233 A234 L236 | I74-F214 HydrophobicContact CG2-CD2 3.47Å; I74-F214 VanDerWaalsContact CG2-CD2 3.47Å; I74-F214 HydrophobicContact CG2-CE2 3.47Å; I74-F214 VanDerWaalsContact CG2-CE2 3.47Å; I74-F214 HydrophobicContact CG2-CG 4.05Å; I74-F214 HydrophobicContact CG2-CZ 4.05Å; L119-F214 HydrophobicContact CD1-CE1 4.25Å; L119-F214 HydrophobicContact CD1-CZ 3.76Å; L119-F214 HydrophobicContact CD2-CE1 4.42Å; L119-F214 HydrophobicContact CD2-CZ 4.35Å; M123-F214 HydrophobicContact CE-CD1 3.63Å; M123-F214 HydrophobicContact CE-CE1 3.44Å; M123-F214 VanDerWaalsContact CE-CE1 3.44Å; V132-F214 HydrophobicContact CB-CD1 4.5Å; V132-F214 HydrophobicContact CG1-CD1 4.2Å; V132-F214 HydrophobicContact CG1-CE1 3.86Å; V132-F214 HydrophobicContact CG1-CZ 4.49Å; V132-F214 HydrophobicContact CG2-CD1 3.84Å; V132-F214 HydrophobicContact CG2-CE1 3.96Å; L212-F214 HydrophobicContact CB-CE1 4.47Å; L212-F214 HydrophobicContact CB-CE2 3.63Å; L212-F214 HydrophobicContact CB-CZ 3.52Å; L212-F214 HydrophobicContact CD2-CZ 3.88Å; L212-F214 HydrophobicContact CG-CZ 4.37Å; L212-F214 WeakPolarHBondContact O-CE2 3.5Å; F214-L216 HydrophobicContact CB-CD1 3.75Å; F214-T233 VanDerWaalsContact O-CA 3.32Å; F214-T233 WeakPolarHBondContact O-CA 3.46Å; F214-A234 HydrophobicContact CB-CB 4.36Å; F214-A234 HydrophobicContact CD2-CB 4.33Å; F214-A234 WeakPolarHBondContact CD2-O 3.28Å; F214-A234 PolarHBondContact N-O 3.21Å; F214-A234 PolarHBondContact O-N 2.91Å; F214-L236 HydrophobicContact CE2-CB 3.85Å |
| 215 | L | 89.8 | Confident | 77.3 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.1 | 164.4 | -177.7 | 71.4 | 0 | 0 | 0 | 107.5 | Y130 T131 T231 T233 A347 A355 | Y130-L215 WeakPolarHBondContact CA-O 3.48Å; T131-L215 PolarHBondContact N-O 3.28Å; T131-L215 PolarHBondContact O-N 3.18Å; L215-T231 HydrophobicContact CD1-CG2 3.52Å; L215-T231 HydrophobicContact CG-CG2 4.1Å; L215-T233 HydrophobicContact CD1-CG2 3.79Å; L215-A347 HydrophobicContact CD1-CB 4.47Å; L215-A355 HydrophobicContact CD2-CB 4.28Å |
| 216 | L | 88.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.6 | -177.4 | -68.5 | 74.2 | 0 | 0 | 0 | 108.4 | L75 Y128 E129 Y130 F214 T231 L232 A234 | L75-L216 WeakPolarHBondContact O-CD2 3.29Å; Y128-L216 HydrophobicContact CD1-CB 3.89Å; Y128-L216 HydrophobicContact CD2-CD2 4.4Å; Y128-L216 HydrophobicContact CG-CB 4.05Å; Y128-L216 HydrophobicContact CG-CD2 4.24Å; E129-L216 WeakPolarHBondContact O-CA 3.43Å; Y130-L216 HydrophobicContact CD1-CD1 4.3Å; Y130-L216 HydrophobicContact CD1-CD2 4.46Å; Y130-L216 HydrophobicContact CD1-CG 3.81Å; Y130-L216 HydrophobicContact CE1-CD1 4.25Å; Y130-L216 HydrophobicContact CE1-CD2 3.68Å; Y130-L216 HydrophobicContact CE1-CG 3.53Å; F214-L216 HydrophobicContact CB-CD1 3.75Å; L216-T231 CarbonylContact O-C 3.57Å; L216-T231 WeakPolarHBondContact O-CA 3.44Å; L216-T231 WeakPolarHBondContact O-CG2 3.38Å; L216-L232 HydrophobicContact CB-CB 4.06Å; L216-L232 PolarHBondContact N-O 3.39Å; L216-L232 PolarHBondContact O-N 3.35Å; L216-A234 HydrophobicContact CD1-CB 4.4Å |
| 217 | R | 83.8 | Confident | 73.2 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 33% | 0.328 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.4 | 176.5 | -69.8 | 178.9 | -72.6 | 99.6 | 3 | 109.1 | Y128 E129 T131 K219 T231 | Y128-R217 CarbonylContact C-O 3.58Å; Y128-R217 VanDerWaalsContact CA-O 3.24Å; Y128-R217 WeakPolarHBondContact CA-O 3.42Å; E129-R217 HydrophobicContact CB-CB 4.49Å; E129-R217 PolarHBondContact N-O 2.98Å; E129-R217 PolarHBondContact O-N 3.03Å; E129-R217 IonicContact OE2-CZ 2.75Å; E129-R217 IonicContact OE2-NH1 3.35Å; E129-R217 PolarHBondContact OE2-NH1 2.98Å; E129-R217 IonicContact OE2-NH2 2.97Å; E129-R217 PolarHBondContact OE2-NH2 3.27Å; T131-R217 PolarHBondContact OG1-NH2 3.27Å; R217-K219 PolarHBondContact O-N 3.38Å; R217-T231 HydrophobicContact CG-CG2 3.92Å |
| 218 | P | 80.2 | Confident | 71.3 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 137.2 | 176.3 | -23.9 | 32.6 | 0 | 0 | 0 | 111.7 | Y128 I220 E229 | Y128-P218 HydrophobicContact CE1-CG 4.42Å; P218-I220 PolarHBondContact O-N 3.29Å; P218-E229 HydrophobicContact CB-CB 4.19Å; P218-E229 HydrophobicContact CG-CB 3.52Å |
| 219 | K | 76.5 | Confident | 69.6 | Low | 70 Ų | 70 | 77.3 Ų | 77.3 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | trans | -71.1 | 125.5 | 171.9 | -77.2 | 170.5 | 174.5 | 161.1 | 0 | 109.1 | P124 Y126 E127 Y128 E129 R217 T221 | P124-K219 PolarHBondContact O-NZ 2.94Å; Y126-K219 PolarHBondContact O-NZ 3.49Å; E127-K219 VanDerWaalsContact O-CB 3.31Å; E127-K219 WeakPolarHBondContact O-CB 3.42Å; E127-K219 WeakPolarHBondContact O-CG 3.38Å; E127-K219 PolarHBondContact O-N 3.1Å; Y128-K219 WeakPolarHBondContact O-CE 3.47Å; E129-K219 HydrophobicContact CG-CG 3.83Å; R217-K219 PolarHBondContact O-N 3.38Å; K219-T221 PolarHBondContact O-N 3.48Å | ||
| 220 | I | 65.4 | Low | 68.4 | Low | 142 Ų | 142 | 80.8 Ų | 80.8 | 73% | 0.728 | 44% | 0.442 | S | S | * | . | trans | -76.7 | 87.5 | 179.2 | -53.9 | 175.2 | 0 | 0 | 0 | 109.3 | P218 | P218-I220 PolarHBondContact O-N 3.29Š| ||
| 221 | T | 51.5 | Low | 67.8 | Low | 124 Ų | 124 | 82.1 Ų | 82.1 | 76% | 0.761 | 45% | 0.45 | S | S | * | . | trans | -90.7 | 105 | 172.1 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | K219 | K219-T221 PolarHBondContact O-N 3.48Š| ||
| 222 | Q | 39.6 | Very low | 67.4 | Low | 179 Ų | 179 | 81.8 Ų | 81.8 | 84% | 0.836 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 79 | 159.7 | 175.9 | -51.5 | -170.9 | 7 | 0 | 0 | 116 | D224 | Q222-D224 PolarHBondContact O-N 3.23Š|
| 223 | L | 48.7 | Very low | 67.1 | Low | 176 Ų | 176 | 83.8 Ų | 83.8 | 92% | 0.921 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -86.9 | 0.7 | -154.3 | -85.2 | 158.2 | 0 | 0 | 0 | 115.7 | ||
| 224 | D | 37.8 | Very low | 67.1 | Low | 161 Ų | 161 | 82.1 Ų | 82.1 | 86% | 0.861 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -107.5 | 110.1 | -170.6 | -71.6 | -40.1 | 0 | 0 | 0 | 112.9 | Q222 | Q222-D224 PolarHBondContact O-N 3.23Š|
| 225 | G | 40.8 | Very low | 67.1 | Low | 75 Ų | 75 | 84.8 Ų | 84.8 | 77% | 0.773 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 90.9 | 152 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S227 | G225-S227 PolarHBondContact O-N 3Š|
| 226 | E | 42 | Very low | 67.4 | Low | 183 Ų | 183 | 83.1 Ų | 83.1 | 86% | 0.855 | 45% | 0.451 | S | S | * | . | trans | -61.1 | 114.9 | 172.6 | -63.1 | 170.1 | 135.3 | 0 | 0 | 109.4 | T228 | E226-T228 PolarHBondContact O-N 3.16Š| ||
| 227 | S | 44.6 | Very low | 67.7 | Low | 73 Ų | 73 | 84.4 Ų | 84.4 | 51% | 0.51 | 46% | 0.457 | S | S | . | . | trans | -65.6 | 103.9 | 173.3 | 57.8 | 0 | 0 | 0 | 0 | 108.9 | G225 E229 | G225-S227 PolarHBondContact O-N 3Å; S227-E229 PolarHBondContact O-N 3.35Å | ||
| 228 | T | 49.7 | Very low | 68.3 | Low | 139 Ų | 139 | 80.4 Ų | 80.4 | 85% | 0.853 | 44% | 0.443 | S | S | * | . | trans | -72.4 | 24.3 | -176.3 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | E226 | E226-T228 PolarHBondContact O-N 3.16Š| ||
| 229 | E | 56.4 | Low | 69 | Low | 104 Ų | 104 | 79.6 Ų | 79.6 | 49% | 0.486 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 127.3 | -179.1 | -67.5 | -163.9 | 155.5 | 0 | 0 | 111.3 | P218 S227 | P218-E229 HydrophobicContact CB-CB 4.19Å; P218-E229 HydrophobicContact CG-CB 3.52Å; S227-E229 PolarHBondContact O-N 3.35Å |
| 230 | D | 70.7 | Confident | 69.8 | Low | 78 Ų | 78 | 76.4 Ų | 76.4 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 137 | -179.9 | -68.5 | -41.8 | 0 | 0 | 0 | 111.1 | L232 R346 | D230-L232 HydrophobicContact CB-CD2 4.43Å; D230-L232 PolarHBondContact O-N 3.41Å; D230-R346 HydrophobicContact CB-CB 4.44Å; D230-R346 HydrophobicContact CB-CG 4.13Å; D230-R346 VanDerWaalsContact OD2-CD 3.25Å; D230-R346 WeakPolarHBondContact OD2-CD 3.14Å; D230-R346 IonicContact OD2-CZ 2.84Å; D230-R346 IonicContact OD2-NE 3.24Å; D230-R346 IonicContact OD2-NH1 3.96Å; D230-R346 PolarHBondContact OD2-NH1 2.9Å |
| 231 | T | 81.4 | Confident | 71.1 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 131.3 | 165.2 | -64.2 | 0 | 0 | 0 | 0 | 108.7 | L215 L216 R217 A347 A352 | L215-T231 HydrophobicContact CD1-CG2 3.52Å; L215-T231 HydrophobicContact CG-CG2 4.1Å; L216-T231 CarbonylContact O-C 3.57Å; L216-T231 WeakPolarHBondContact O-CA 3.44Å; L216-T231 WeakPolarHBondContact O-CG2 3.38Å; R217-T231 HydrophobicContact CG-CG2 3.92Å; T231-A347 HydrophobicContact CG2-CB 3.84Å; T231-A347 WeakPolarHBondContact O-CB 3.26Å; T231-A347 PolarHBondContact O-N 3.26Å; T231-A352 HydrophobicContact CG2-CB 4.37Å |
| 232 | L | 88.2 | Confident | 73 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 161.6 | -177.6 | -50.7 | 172.4 | 0 | 0 | 0 | 111.6 | Y128 L216 D230 L344 N345 R346 | Y128-L232 HydrophobicContact CE1-CD1 3.98Å; Y128-L232 HydrophobicContact CE1-CG 4.45Å; L216-L232 HydrophobicContact CB-CB 4.06Å; L216-L232 PolarHBondContact N-O 3.39Å; L216-L232 PolarHBondContact O-N 3.35Å; D230-L232 HydrophobicContact CB-CD2 4.43Å; D230-L232 PolarHBondContact O-N 3.41Å; L232-L344 HydrophobicContact CD1-CD1 4Å; L232-L344 HydrophobicContact CD1-CG 4.49Å; L232-L344 HydrophobicContact CD2-CD1 4.48Å; L232-L344 HydrophobicContact CD2-CD2 4.35Å; L232-L344 HydrophobicContact CD2-CG 4.16Å; L232-N345 CarbonylContact C-O 3.57Å; L232-N345 VanDerWaalsContact CA-O 3.29Å; L232-N345 WeakPolarHBondContact CA-O 3.42Å; L232-R346 HydrophobicContact CD2-CG 3.96Å |
| 233 | T | 89 | Confident | 75.4 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.3 | 173.2 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | F214 L215 N345 A347 | F214-T233 VanDerWaalsContact O-CA 3.32Å; F214-T233 WeakPolarHBondContact O-CA 3.46Å; L215-T233 HydrophobicContact CD1-CG2 3.79Å; T233-N345 PolarHBondContact N-O 3.27Å; T233-N345 WeakPolarHBondContact O-CB 3.4Å; T233-N345 PolarHBondContact O-ND2 2.86Å; T233-N345 WeakPolarHBondContact OG1-CB 3.37Å; T233-A347 HydrophobicContact CG2-CB 4.09Å |
| 234 | A | 91.9 | Very high | 77.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | I74 F214 L216 | I74-A234 HydrophobicContact CG2-CB 4.23Å; F214-A234 HydrophobicContact CB-CB 4.36Å; F214-A234 HydrophobicContact CD2-CB 4.33Å; F214-A234 WeakPolarHBondContact CD2-O 3.28Å; F214-A234 PolarHBondContact N-O 3.21Å; F214-A234 PolarHBondContact O-N 2.91Å; L216-A234 HydrophobicContact CD1-CB 4.4Å |
| 235 | K | 93.3 | Very high | 79.6 | Confident | 56 Ų | 56 | 42.1 Ų | 42.1 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130 | 170.4 | -63.2 | 178.3 | -174.7 | 172.8 | 0 | 109.9 | N79 A80 L212 | N79-K235 CarbonylContact C-O 3.38Å; N79-K235 WeakPolarHBondContact CA-O 3.39Å; N79-K235 PolarHBondContact OD1-N 3.38Å; A80-K235 PolarHBondContact N-O 3.05Å; L212-K235 WeakPolarHBondContact O-CA 3.48Å |
| 236 | L | 95.5 | Very high | 81.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.5 | 166.2 | 169.9 | 57.6 | 0 | 0 | 0 | 108.8 | I74 A80 I115 L119 T211 L212 F214 L238 | I74-L236 HydrophobicContact CD1-CB 3.93Å; I74-L236 HydrophobicContact CD1-CD1 3.91Å; I74-L236 HydrophobicContact CD1-CD2 3.84Å; I74-L236 HydrophobicContact CD1-CG 4.08Å; I74-L236 HydrophobicContact CG1-CB 4.47Å; A80-L236 HydrophobicContact CB-CD1 4.25Å; A80-L236 VanDerWaalsContact O-CA 3.31Å; A80-L236 WeakPolarHBondContact O-CA 3.46Å; I115-L236 HydrophobicContact CG2-CD2 3.62Å; L119-L236 HydrophobicContact CD1-CD2 4.06Å; T211-L236 CarbonylContact C-O 3.58Å; T211-L236 VanDerWaalsContact CA-O 3.32Å; T211-L236 WeakPolarHBondContact CA-O 3.49Å; L212-L236 HydrophobicContact CB-CB 4.34Å; L212-L236 HydrophobicContact CD1-CD2 4.46Å; L212-L236 PolarHBondContact N-O 2.97Å; L212-L236 PolarHBondContact O-N 2.78Å; F214-L236 HydrophobicContact CE2-CB 3.85Å; L236-L238 HydrophobicContact CD1-CD2 3.71Å; L236-L238 HydrophobicContact CD1-CG 4.06Å; L236-L238 HydrophobicContact CD2-CD1 3.99Å; L236-L238 HydrophobicContact CD2-CD2 4.17Å; L236-L238 HydrophobicContact CD2-CG 4.07Å; L236-L238 HydrophobicContact CG-CD1 4.31Å; L236-L238 HydrophobicContact CG-CD2 4.05Å; L236-L238 HydrophobicContact CG-CG 3.88Å |
| 237 | H | 95.2 | Very high | 83 | Confident | 28 Ų | 28 | 36.8 Ų | 36.8 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.1 | 170.2 | -61.7 | -68 | 0 | 0 | 0 | 110 | A80 T81 L82 T211 V239 | A80-H237 PolarHBondContact O-N 2.83Å; T81-H237 CarbonylContact C-O 3.59Å; T81-H237 WeakPolarHBondContact CA-O 3.42Å; T81-H237 HydrophobicContact CG2-CB 3.99Å; L82-H237 PolarHBondContact N-O 3.47Å; T211-H237 VanDerWaalsContact CG2-CE1 3.41Å; T211-H237 WeakPolarHBondContact CG2-CE1 3.49Å; T211-H237 WeakPolarHBondContact CG2-ND1 3.42Å; T211-H237 PolarHBondContact OG1-ND1 3.19Å; H237-V239 HydrophobicContact CB-CG2 4.36Å |
| 238 | L | 95.9 | Very high | 84.4 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.6 | 177.1 | -62.8 | 173.7 | 0 | 0 | 0 | 108.2 | L82 M96 V112 I115 L210 L212 L236 | L82-L238 HydrophobicContact CB-CD2 3.99Å; L82-L238 WeakPolarHBondContact O-CA 3.45Å; M96-L238 HydrophobicContact CE-CB 3.97Å; V112-L238 HydrophobicContact CB-CD1 4.42Å; V112-L238 HydrophobicContact CG1-CD1 4Å; V112-L238 HydrophobicContact CG2-CB 4.35Å; V112-L238 HydrophobicContact CG2-CD1 4.09Å; I115-L238 HydrophobicContact CD1-CD2 3.67Å; L210-L238 HydrophobicContact CB-CB 4.24Å; L210-L238 HydrophobicContact CD2-CD1 4.1Å; L210-L238 PolarHBondContact N-O 3.03Å; L210-L238 PolarHBondContact O-N 3.43Å; L212-L238 HydrophobicContact CD1-CD1 4.08Å; L236-L238 HydrophobicContact CD1-CD2 3.71Å; L236-L238 HydrophobicContact CD1-CG 4.06Å; L236-L238 HydrophobicContact CD2-CD1 3.99Å; L236-L238 HydrophobicContact CD2-CD2 4.17Å; L236-L238 HydrophobicContact CD2-CG 4.07Å; L236-L238 HydrophobicContact CG-CD1 4.31Å; L236-L238 HydrophobicContact CG-CD2 4.05Å; L236-L238 HydrophobicContact CG-CG 3.88Å |
| 239 | V | 94.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.2 | -164.3 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | L82 F83 A84 A208 I209 H237 L241 L299 | L82-V239 PolarHBondContact O-N 3.39Å; F83-V239 CarbonylContact C-O 3.6Å; F83-V239 WeakPolarHBondContact CA-O 3.43Å; F83-V239 HydrophobicContact CB-CB 3.66Å; F83-V239 HydrophobicContact CB-CG1 4.12Å; F83-V239 HydrophobicContact CB-CG2 4.39Å; A84-V239 PolarHBondContact N-O 3.46Å; A208-V239 CarbonylContact O-C 3.53Å; A208-V239 WeakPolarHBondContact O-CA 3.34Å; I209-V239 HydrophobicContact CB-CG2 4.45Å; I209-V239 HydrophobicContact CG1-CG1 4.03Å; I209-V239 HydrophobicContact CG1-CG2 4.08Å; I209-V239 HydrophobicContact CG2-CG2 4.12Å; H237-V239 HydrophobicContact CB-CG2 4.36Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.92Å; V239-L299 HydrophobicContact CG2-CD2 4.22Å |
| 240 | D | 93.6 | Very high | 85.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 99 | 171.4 | -178.2 | 36.9 | 0 | 0 | 0 | 107.6 | K92 T93 M96 R192 H207 A208 | K92-D240 WeakPolarHBondContact CB-OD1 3.3Å; T93-D240 PolarHBondContact N-OD1 3.25Å; T93-D240 PolarHBondContact OG1-OD1 2.85Å; T93-D240 PolarHBondContact OG1-OD2 2.87Å; M96-D240 HydrophobicContact CG-CB 4.27Å; R192-D240 IonicContact CZ-OD2 2.69Å; R192-D240 IonicContact NH1-OD2 3.55Å; R192-D240 PolarHBondContact NH1-OD2 2.99Å; R192-D240 IonicContact NH2-OD2 3.38Å; H207-D240 CarbonylContact C-O 3.56Å; H207-D240 WeakPolarHBondContact CA-O 3.48Å; A208-D240 HydrophobicContact CB-CB 4.4Å; A208-D240 PolarHBondContact N-O 3.47Å; A208-D240 PolarHBondContact O-N 3.42Å |
| 241 | L | 93 | Very high | 85.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 158.3 | -176.8 | -61.1 | 174.7 | 0 | 0 | 0 | 111.6 | F83 A84 Y85 K92 H207 V239 L267 L270 L295 | F83-L241 HydrophobicContact CD2-CD1 3.88Å; A84-L241 VanDerWaalsContact O-CB 3.32Å; A84-L241 WeakPolarHBondContact O-CB 3.44Å; A84-L241 WeakPolarHBondContact O-CG 2.89Å; A84-L241 PolarHBondContact O-N 2.91Å; Y85-L241 HydrophobicContact CD2-CD1 3.81Å; Y85-L241 HydrophobicContact CG-CD1 4.47Å; K92-L241 WeakPolarHBondContact CE-O 3.44Å; H207-L241 HydrophobicContact CB-CD2 4.3Å; H207-L241 VanDerWaalsContact ND1-CD2 3.34Å; H207-L241 WeakPolarHBondContact ND1-CD2 3.46Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.92Å; L241-L267 HydrophobicContact CB-CD2 4.46Å; L241-L267 HydrophobicContact CD1-CD2 4.41Å; L241-L270 HydrophobicContact CD1-CD2 4.12Å; L241-L295 HydrophobicContact CD2-CD1 3.82Å; L241-L295 HydrophobicContact CD2-CD2 4Å |
| 242 | A | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 165.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S204 H207 S244 I263 | S204-A242 CarbonylContact O-C 3.53Å; S204-A242 WeakPolarHBondContact O-CA 3.4Å; H207-A242 PolarHBondContact ND1-N 2.98Å; H207-A242 VanDerWaalsContact ND1-N 3.15Å; A242-S244 PolarHBondContact O-N 3.35Å; A242-I263 HydrophobicContact CB-CG2 4.05Å |
| 243 | G | 89.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 130.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S204 E245 L267 | S204-G243 PolarHBondContact O-N 2.96Å; G243-E245 WeakPolarHBondContact CA-OE2 3.43Å; G243-L267 WeakPolarHBondContact O-CD1 3.38Å |
| 244 | S | 89.9 | Confident | 83.4 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | trans | -90.7 | 7.2 | 178.7 | 74 | 0 | 0 | 0 | 0 | 114.9 | Y85 G86 Q87 A242 | Y85-S244 VanDerWaalsContact CZ-CB 3.46Å; Y85-S244 WeakPolarHBondContact OH-CB 3.35Å; G86-S244 WeakPolarHBondContact CA-OG 3.45Å; G86-S244 PolarHBondContact O-N 2.95Å; G86-S244 PolarHBondContact O-OG 3.43Å; Q87-S244 PolarHBondContact N-OG 3.02Å; A242-S244 PolarHBondContact O-N 3.35Å | ||
| 245 | E | 86 | Confident | 82.5 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | trans | -62.9 | 145.8 | 175.9 | 61.8 | -81 | -169.2 | 0 | 0 | 112 | Q87 T88 G243 N264 | Q87-E245 VanDerWaalsContact CA-OE2 3.24Å; Q87-E245 WeakPolarHBondContact CA-OE2 3.31Å; Q87-E245 HydrophobicContact CB-CB 4.28Å; T88-E245 WeakPolarHBondContact CB-OE1 3.28Å; T88-E245 PolarHBondContact N-OE2 3.33Å; T88-E245 PolarHBondContact OG1-OE1 3.02Å; T88-E245 PolarHBondContact OG1-OE2 3.15Å; G243-E245 WeakPolarHBondContact CA-OE2 3.43Å; E245-N264 PolarHBondContact O-ND2 3.04Å; E245-N264 VanDerWaalsContact O-ND2 3.13Å | ||
| 246 | R | 80.5 | Confident | 81.5 | Confident | 112 Ų | 112 | 54.7 Ų | 54.7 | 42% | 0.423 | 27% | 0.271 | S | S | . | . | trans | -74.7 | 133.5 | 177.3 | -63.5 | 177.9 | -179.7 | 168.1 | 7.4 | 109.5 | K248 K249 E323 E324 N327 | R246-K248 PolarHBondContact O-N 2.92Å; R246-K249 PolarHBondContact O-N 2.81Å; R246-E323 IonicContact CZ-OE1 3.58Å; R246-E323 IonicContact NH1-OE1 3.24Å; R246-E323 PolarHBondContact NH1-OE1 3.07Å; R246-E323 IonicContact NH2-OE1 3.47Å; R246-E324 PolarHBondContact N-OE1 2.82Å; R246-N327 PolarHBondContact NE-ND2 3.36Å; R246-N327 PolarHBondContact NH2-ND2 3.25Å; R246-N327 VanDerWaalsContact NH2-ND2 3.12Å; R246-N327 PolarHBondContact NH2-OD1 2.93Å | ||
| 247 | I | 74.1 | Confident | 80.6 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 18% | 0.179 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -51.9 | -29.8 | 177 | -53.4 | 147.8 | 0 | 0 | 0 | 111.8 | K249 T250 H251 L257 G260 I261 N264 | I247-K249 PolarHBondContact O-N 2.87Å; I247-T250 WeakPolarHBondContact O-CA 3.49Å; I247-T250 WeakPolarHBondContact O-CB 3.47Å; I247-T250 PolarHBondContact O-N 3.22Å; I247-T250 PolarHBondContact O-OG1 3.43Å; I247-H251 PolarHBondContact O-N 3.03Å; I247-L257 HydrophobicContact CG2-CD1 3.68Å; I247-G260 WeakPolarHBondContact CD1-O 3.45Å; I247-I261 HydrophobicContact CD1-CB 4.48Å; I247-I261 HydrophobicContact CD1-CG1 3.9Å; I247-N264 HydrophobicContact CD1-CB 4.31Å |
| 248 | K | 72.4 | Confident | 79.8 | Confident | 187 Ų | 187 | 62.7 Ų | 62.7 | 81% | 0.813 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -54.1 | -34.4 | 173.8 | -66.2 | -168.1 | 176.2 | -169.9 | 0 | 113.9 | R246 T250 | R246-K248 PolarHBondContact O-N 2.92Å; K248-T250 VanDerWaalsContact C-N 3.34Å |
| 249 | K | 64.9 | Low | 79 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.4 | -22 | 173.2 | -93.1 | -163.8 | 166 | -157.7 | 0 | 113.5 | R246 I247 H251 I320 E324 | R246-K249 PolarHBondContact O-N 2.81Å; I247-K249 PolarHBondContact O-N 2.87Å; K249-H251 PolarHBondContact O-CD2 3.19Å; K249-H251 VanDerWaalsContact O-CD2 3.24Å; K249-I320 PolarHBondContact NZ-O 3.36Å; K249-E324 HydrophobicContact CD-CG 4.14Å |
| 250 | T | 66.6 | Low | 78.2 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -84.7 | -11.2 | -178.5 | 70 | 0 | 0 | 0 | 0 | 113.4 | I247 K248 A252 | I247-T250 WeakPolarHBondContact O-CA 3.49Å; I247-T250 WeakPolarHBondContact O-CB 3.47Å; I247-T250 PolarHBondContact O-N 3.22Å; I247-T250 PolarHBondContact O-OG1 3.43Å; K248-T250 VanDerWaalsContact C-N 3.34Å; T250-A252 PolarHBondContact O-N 3.05Å |
| 251 | H | 62.6 | Low | 77.6 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 26.9 | -177.5 | -60 | -91.3 | 0 | 0 | 0 | 114.5 | I247 K249 G860 P862 | I247-H251 PolarHBondContact O-N 3.03Å; K249-H251 PolarHBondContact O-CD2 3.19Å; K249-H251 VanDerWaalsContact O-CD2 3.24Å; H251-G860 PolarHBondContact CE1-O 2.98Å; H251-P862 HydrophobicContact CB-CB 3.83Å; H251-P862 HydrophobicContact CB-CG 3.46Å; H251-P862 VanDerWaalsContact CB-CG 3.46Å |
| 252 | A | 67.2 | Low | 77.1 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | trans | -75.4 | 133.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T250 R256 L257 | T250-A252 PolarHBondContact O-N 3.05Å; A252-R256 HydrophobicContact CB-CB 3.91Å; A252-L257 WeakPolarHBondContact O-CB 3.39Å | ||
| 253 | E | 73.5 | Confident | 76.6 | Confident | 165 Ų | 165 | 71.7 Ų | 71.7 | 77% | 0.771 | 36% | 0.357 | S | S | * | . | trans | -112.2 | 173.1 | 175.1 | -62.7 | -165.1 | 157.9 | 0 | 0 | 112.3 | D255 R256 L257 | E253-D255 PolarHBondContact O-N 2.91Å; E253-R256 PolarHBondContact O-N 3.32Å; E253-L257 PolarHBondContact O-N 2.66Å | ||
| 254 | G | 80.1 | Confident | 76.2 | Confident | 51 Ų | 51 | 73.1 Ų | 73.1 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | 58.1 | -132.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R256 L257 K258 | G254-R256 VanDerWaalsContact C-N 3.3Å; G254-R256 PolarHBondContact O-N 3.32Å; G254-L257 WeakPolarHBondContact O-CB 3.37Å; G254-L257 PolarHBondContact O-N 3.11Å; G254-K258 PolarHBondContact O-N 3.5Å |
| 255 | D | 74 | Confident | 76.2 | Confident | 116 Ų | 116 | 78.9 Ų | 78.9 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.1 | -22.1 | -179.1 | -66 | -40 | 0 | 0 | 0 | 113.4 | E253 L257 K258 E259 | E253-D255 PolarHBondContact O-N 2.91Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-K258 PolarHBondContact O-N 3.37Å; D255-K258 WeakPolarHBondContact OD1-CD 3.48Å; D255-K258 WeakPolarHBondContact OD1-CE 3.43Å; D255-K258 IonicContact OD1-NZ 3.56Å; D255-K258 PolarHBondContact OD1-NZ 3.02Å; D255-E259 WeakPolarHBondContact O-CB 3.33Å; D255-E259 PolarHBondContact O-N 2.9Å |
| 256 | R | 70.8 | Confident | 76.2 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 46% | 0.457 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.5 | -32 | 171.4 | -70.9 | -172.2 | 131.1 | 176.4 | -1.7 | 111.7 | M199 N200 A252 E253 G254 G260 | M199-R256 PolarHBondContact O-NH2 3.41Å; N200-R256 PolarHBondContact OD1-NH2 2.83Å; A252-R256 HydrophobicContact CB-CB 3.91Å; E253-R256 PolarHBondContact O-N 3.32Å; G254-R256 VanDerWaalsContact C-N 3.3Å; G254-R256 PolarHBondContact O-N 3.32Å; R256-G260 PolarHBondContact O-N 2.88Å |
| 257 | L | 76.6 | Confident | 76.7 | Confident | 73 Ų | 73 | 72 Ų | 72 | 38% | 0.382 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 170.8 | -179.4 | 54.2 | 0 | 0 | 0 | 111.3 | I247 A252 E253 G254 D255 G260 I261 | I247-L257 HydrophobicContact CG2-CD1 3.68Å; A252-L257 WeakPolarHBondContact O-CB 3.39Å; E253-L257 PolarHBondContact O-N 2.66Å; G254-L257 WeakPolarHBondContact O-CB 3.37Å; G254-L257 PolarHBondContact O-N 3.11Å; D255-L257 VanDerWaalsContact C-N 3.33Å; L257-G260 PolarHBondContact O-N 2.71Å; L257-I261 HydrophobicContact CD1-CD1 4.19Å; L257-I261 HydrophobicContact CD1-CG1 4.41Å; L257-I261 HydrophobicContact CG-CD1 4.08Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.43Å; L257-I261 PolarHBondContact O-N 2.76Å |
| 258 | K | 79.2 | Confident | 77.4 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 176.6 | -61.7 | 176.3 | -165.5 | 158.1 | 0 | 111.3 | G254 D255 G260 I261 D262 | G254-K258 PolarHBondContact O-N 3.5Å; D255-K258 PolarHBondContact O-N 3.37Å; D255-K258 WeakPolarHBondContact OD1-CD 3.48Å; D255-K258 WeakPolarHBondContact OD1-CE 3.43Å; D255-K258 IonicContact OD1-NZ 3.56Å; D255-K258 PolarHBondContact OD1-NZ 3.02Å; K258-G260 VanDerWaalsContact C-N 3.33Å; K258-G260 PolarHBondContact O-N 3.17Å; K258-I261 WeakPolarHBondContact O-CB 3.29Å; K258-I261 PolarHBondContact O-N 3.4Å; K258-I261 VanDerWaalsContact O-N 3.13Å; K258-D262 PolarHBondContact O-N 3.16Å |
| 259 | E | 78.9 | Confident | 78.3 | Confident | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 174.2 | 168.3 | 176.3 | -168 | 0 | 0 | 111.8 | Y140 K141 R205 D255 I261 D262 I263 | Y140-E259 PolarHBondContact OH-OE1 2.76Å; K141-E259 VanDerWaalsContact CE-CG 3.45Å; R205-E259 IonicContact CZ-OE1 2.78Å; R205-E259 IonicContact NH1-OE1 3.59Å; R205-E259 PolarHBondContact NH1-OE1 2.66Å; R205-E259 IonicContact NH1-OE2 3.63Å; R205-E259 PolarHBondContact NH1-OE2 3.15Å; D255-E259 WeakPolarHBondContact O-CB 3.33Å; D255-E259 PolarHBondContact O-N 2.9Å; E259-I261 VanDerWaalsContact C-N 3.29Å; E259-I261 PolarHBondContact O-N 2.92Å; E259-D262 PolarHBondContact O-N 3.34Å; E259-I263 HydrophobicContact CG-CD1 3.54Å; E259-I263 HydrophobicContact CG-CG1 4.33Å; E259-I263 WeakPolarHBondContact O-CD1 3.46Å; E259-I263 VanDerWaalsContact O-CG1 3.23Å; E259-I263 WeakPolarHBondContact O-CG1 3.5Å; E259-I263 PolarHBondContact O-N 3.3Å |
| 260 | G | 77.7 | Confident | 79.6 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 12% | 0.124 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | I247 R256 L257 K258 N264 | I247-G260 WeakPolarHBondContact CD1-O 3.45Å; R256-G260 PolarHBondContact O-N 2.88Å; L257-G260 PolarHBondContact O-N 2.71Å; K258-G260 VanDerWaalsContact C-N 3.33Å; K258-G260 PolarHBondContact O-N 3.17Å; G260-N264 WeakPolarHBondContact O-CB 3.43Å; G260-N264 PolarHBondContact O-N 3.29Å |
| 261 | I | 81.5 | Confident | 80.7 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.2 | -68.3 | 163.6 | 0 | 0 | 0 | 110.7 | I247 L257 K258 E259 N264 R265 | I247-I261 HydrophobicContact CD1-CB 4.48Å; I247-I261 HydrophobicContact CD1-CG1 3.9Å; L257-I261 HydrophobicContact CD1-CD1 4.19Å; L257-I261 HydrophobicContact CD1-CG1 4.41Å; L257-I261 HydrophobicContact CG-CD1 4.08Å; L257-I261 VanDerWaalsContact O-CG1 3.29Å; L257-I261 WeakPolarHBondContact O-CG1 3.43Å; L257-I261 PolarHBondContact O-N 2.76Å; K258-I261 WeakPolarHBondContact O-CB 3.29Å; K258-I261 PolarHBondContact O-N 3.4Å; K258-I261 VanDerWaalsContact O-N 3.13Å; E259-I261 VanDerWaalsContact C-N 3.29Å; E259-I261 PolarHBondContact O-N 2.92Å; I261-N264 PolarHBondContact O-N 3.41Å; I261-R265 PolarHBondContact O-N 3Å |
| 262 | D | 82.6 | Confident | 82 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.9 | -34.3 | -179.8 | -70 | -37.2 | 0 | 0 | 0 | 112.9 | K141 K258 E259 R265 | K141-D262 HydrophobicContact CB-CB 4.3Å; K141-D262 HydrophobicContact CG-CB 4.26Å; K258-D262 PolarHBondContact O-N 3.16Å; E259-D262 PolarHBondContact O-N 3.34Å; D262-R265 WeakPolarHBondContact O-CB 3.21Å |
| 263 | I | 79.1 | Confident | 83.2 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -50.5 | 172.3 | -66.1 | 157.6 | 0 | 0 | 0 | 110.2 | R205 A242 E259 R265 G266 | R205-I263 HydrophobicContact CB-CD1 3.6Å; R205-I263 HydrophobicContact CB-CG1 4.26Å; R205-I263 HydrophobicContact CG-CD1 3.71Å; R205-I263 WeakPolarHBondContact O-CG2 3.46Å; A242-I263 HydrophobicContact CB-CG2 4.05Å; E259-I263 HydrophobicContact CG-CD1 3.54Å; E259-I263 HydrophobicContact CG-CG1 4.33Å; E259-I263 WeakPolarHBondContact O-CD1 3.46Å; E259-I263 VanDerWaalsContact O-CG1 3.23Å; E259-I263 WeakPolarHBondContact O-CG1 3.5Å; E259-I263 PolarHBondContact O-N 3.3Å; I263-R265 PolarHBondContact O-N 3Å; I263-G266 PolarHBondContact O-N 3.29Å |
| 264 | N | 83.1 | Confident | 84 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.2 | -10 | -177.9 | -83 | -6.6 | 0 | 0 | 0 | 113.7 | E245 I247 G260 I261 G266 L267 L268 | E245-N264 PolarHBondContact O-ND2 3.04Å; E245-N264 VanDerWaalsContact O-ND2 3.13Å; I247-N264 HydrophobicContact CD1-CB 4.31Å; G260-N264 WeakPolarHBondContact O-CB 3.43Å; G260-N264 PolarHBondContact O-N 3.29Å; I261-N264 PolarHBondContact O-N 3.41Å; N264-G266 VanDerWaalsContact C-N 3.31Å; N264-G266 PolarHBondContact O-N 3.07Å; N264-L267 PolarHBondContact O-N 3.48Å; N264-L268 WeakPolarHBondContact O-CB 3.45Å; N264-L268 PolarHBondContact O-N 3.05Å |
| 265 | R | 88.3 | Confident | 84.3 | Confident | 135 Ų | 135 | 49.8 Ų | 49.8 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.9 | -43.8 | 172.4 | -177.1 | 172.7 | 174.6 | 166.7 | 2.7 | 112 | E142 I261 D262 I263 L268 A269 | E142-R265 HydrophobicContact CG-CG 4.4Å; I261-R265 PolarHBondContact O-N 3Å; D262-R265 WeakPolarHBondContact O-CB 3.21Å; I263-R265 PolarHBondContact O-N 3Å; R265-L268 PolarHBondContact O-N 3.32Å; R265-A269 WeakPolarHBondContact O-CB 3.5Å; R265-A269 PolarHBondContact O-N 2.96Å |
| 266 | G | 87.4 | Confident | 85 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | E142 I263 N264 L270 S293 | E142-G266 WeakPolarHBondContact OE1-CA 3.44Å; E142-G266 PolarHBondContact OE1-N 3.5Å; I263-G266 PolarHBondContact O-N 3.29Å; N264-G266 VanDerWaalsContact C-N 3.31Å; N264-G266 PolarHBondContact O-N 3.07Å; G266-L270 WeakPolarHBondContact O-CB 3.37Å; G266-L270 PolarHBondContact O-N 2.85Å; G266-S293 WeakPolarHBondContact CA-OG 3.39Å |
| 267 | L | 89.4 | Confident | 85.7 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.6 | -35.3 | 177.8 | -64.3 | -178.8 | 0 | 0 | 0 | 113 | Y85 L241 G243 N264 L270 G271 L295 | Y85-L267 HydrophobicContact CD2-CD2 4.42Å; Y85-L267 HydrophobicContact CE2-CD2 4.12Å; L241-L267 HydrophobicContact CB-CD2 4.46Å; L241-L267 HydrophobicContact CD1-CD2 4.41Å; G243-L267 WeakPolarHBondContact O-CD1 3.38Å; N264-L267 PolarHBondContact O-N 3.48Å; L267-L270 PolarHBondContact O-N 3.45Å; L267-G271 PolarHBondContact O-N 3.07Å; L267-L295 HydrophobicContact CD2-CD2 4.44Å |
| 268 | L | 89.9 | Confident | 85.9 | Confident | 113 Ų | 113 | 38 Ų | 38 | 59% | 0.592 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -66.5 | -45.9 | 175.1 | -179 | 64.3 | 0 | 0 | 0 | 111.1 | N264 R265 L270 G271 N272 | N264-L268 WeakPolarHBondContact O-CB 3.45Å; N264-L268 PolarHBondContact O-N 3.05Å; R265-L268 PolarHBondContact O-N 3.32Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.32Å; L268-G271 PolarHBondContact O-N 2.87Å; L268-N272 VanDerWaalsContact O-CG 3.31Å; L268-N272 PolarHBondContact O-N 3.41Å |
| 269 | A | 90.8 | Very high | 85.7 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R265 G271 N272 V273 D292 T296 | R265-A269 WeakPolarHBondContact O-CB 3.5Å; R265-A269 PolarHBondContact O-N 2.96Å; A269-G271 PolarHBondContact O-N 3.27Å; A269-N272 WeakPolarHBondContact O-CB 3.4Å; A269-N272 PolarHBondContact O-N 2.92Å; A269-N272 VanDerWaalsContact O-N 3.17Å; A269-V273 WeakPolarHBondContact O-CG2 3.48Å; A269-V273 PolarHBondContact O-N 3.42Å; A269-D292 HydrophobicContact CB-CB 3.89Å; A269-T296 HydrophobicContact CB-CG2 3.89Å |
| 270 | L | 92.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.5 | -160.7 | 68.3 | 0 | 0 | 0 | 111.5 | L241 G266 L267 L268 N272 V273 I274 L295 T296 L299 L303 Y331 | L241-L270 HydrophobicContact CD1-CD2 4.12Å; G266-L270 WeakPolarHBondContact O-CB 3.37Å; G266-L270 PolarHBondContact O-N 2.85Å; L267-L270 PolarHBondContact O-N 3.45Å; L268-L270 VanDerWaalsContact C-N 3.31Å; L268-L270 PolarHBondContact O-N 3.32Å; L270-N272 VanDerWaalsContact C-N 3.33Å; L270-N272 PolarHBondContact O-N 3.28Å; L270-V273 PolarHBondContact O-N 3.09Å; L270-I274 WeakPolarHBondContact O-CG1 3.44Å; L270-I274 PolarHBondContact O-N 2.88Å; L270-L295 HydrophobicContact CD2-CD2 4.21Å; L270-T296 VanDerWaalsContact CA-CG2 3.48Å; L270-T296 HydrophobicContact CB-CG2 4.01Å; L270-T296 HydrophobicContact CD1-CG2 3.77Å; L270-L299 HydrophobicContact CD1-CD1 3.94Å; L270-L299 HydrophobicContact CD2-CD1 4.39Å; L270-L303 HydrophobicContact CD1-CD1 3.49Å; L270-L303 VanDerWaalsContact CD1-CD1 3.49Å; L270-L303 HydrophobicContact CG-CD1 4.31Å; L270-Y331 WeakPolarHBondContact CB-OH 3.5Å; L270-Y331 VanDerWaalsContact CD2-OH 3.23Å; L270-Y331 WeakPolarHBondContact CD2-OH 3.35Å; L270-Y331 WeakPolarHBondContact CG-OH 3.45Å |
| 271 | G | 90.3 | Very high | 83.5 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -34.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | L267 L268 A269 S275 | L267-G271 PolarHBondContact O-N 3.07Å; L268-G271 PolarHBondContact O-N 2.87Å; A269-G271 PolarHBondContact O-N 3.27Å; G271-S275 WeakPolarHBondContact O-CB 3.37Å; G271-S275 PolarHBondContact O-N 3.12Å; G271-S275 PolarHBondContact O-OG 2.91Å |
| 272 | N | 90.5 | Very high | 82.1 | Confident | 75 Ų | 75 | 48.7 Ų | 48.7 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.3 | -44 | 174.7 | -70.9 | -16 | 0 | 0 | 0 | 111.8 | L268 A269 L270 S275 A276 P289 | L268-N272 VanDerWaalsContact O-CG 3.31Å; L268-N272 PolarHBondContact O-N 3.41Å; A269-N272 WeakPolarHBondContact O-CB 3.4Å; A269-N272 PolarHBondContact O-N 2.92Å; A269-N272 VanDerWaalsContact O-N 3.17Å; L270-N272 VanDerWaalsContact C-N 3.33Å; L270-N272 PolarHBondContact O-N 3.28Å; N272-S275 PolarHBondContact O-N 2.98Å; N272-A276 WeakPolarHBondContact O-CB 3.42Å; N272-A276 PolarHBondContact O-N 3.4Å; N272-P289 HydrophobicContact CB-CG 4.32Å |
| 273 | V | 90.9 | Very high | 80.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 174.7 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | A269 L270 S275 A276 L277 I288 P289 Y290 T296 | A269-V273 WeakPolarHBondContact O-CG2 3.48Å; A269-V273 PolarHBondContact O-N 3.42Å; L270-V273 PolarHBondContact O-N 3.09Å; V273-S275 PolarHBondContact O-N 3.44Å; V273-A276 PolarHBondContact O-N 3.27Å; V273-L277 HydrophobicContact CG1-CD1 3.78Å; V273-L277 WeakPolarHBondContact O-CG 3.49Å; V273-L277 PolarHBondContact O-N 3.37Å; V273-I288 HydrophobicContact CB-CG2 4.46Å; V273-I288 HydrophobicContact CG1-CG2 3.95Å; V273-I288 HydrophobicContact CG2-CG2 4.31Å; V273-P289 HydrophobicContact CG2-CG 4.02Å; V273-Y290 HydrophobicContact CG1-CD1 3.85Å; V273-Y290 HydrophobicContact CG1-CE1 3.59Å; V273-Y290 HydrophobicContact CG2-CD1 4.24Å; V273-T296 HydrophobicContact CB-CG2 4.43Å; V273-T296 HydrophobicContact CG2-CG2 3.87Å |
| 274 | I | 89.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -49.5 | 175.7 | -70.1 | -174.3 | 0 | 0 | 0 | 110.3 | L270 A276 L277 C278 L303 Y331 R334 A335 I338 | L270-I274 WeakPolarHBondContact O-CG1 3.44Å; L270-I274 PolarHBondContact O-N 2.88Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 2.87Å; I274-L277 PolarHBondContact O-N 3.05Å; I274-L277 VanDerWaalsContact O-N 3.08Å; I274-C278 PolarHBondContact O-N 3Å; I274-C278 PolarHBondContact O-SG 2.7Å; I274-L303 HydrophobicContact CG1-CD1 4.29Å; I274-Y331 HydrophobicContact CD1-CD1 4.18Å; I274-Y331 HydrophobicContact CD1-CE1 3.35Å; I274-Y331 HydrophobicContact CD1-CE2 4.44Å; I274-Y331 WeakPolarHBondContact CD1-OH 3.33Å; I274-R334 HydrophobicContact CG2-CB 3.86Å; I274-A335 HydrophobicContact CD1-CB 4.12Å; I274-I338 HydrophobicContact CB-CD1 4.14Å; I274-I338 HydrophobicContact CD1-CD1 4.45Å; I274-I338 HydrophobicContact CG1-CD1 3.75Å; I274-I338 HydrophobicContact CG2-CD1 4.07Å |
| 275 | S | 88.3 | Confident | 78.3 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 179.3 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | G271 N272 V273 C278 E279 R334 | G271-S275 WeakPolarHBondContact O-CB 3.37Å; G271-S275 PolarHBondContact O-N 3.12Å; G271-S275 PolarHBondContact O-OG 2.91Å; N272-S275 PolarHBondContact O-N 2.98Å; V273-S275 PolarHBondContact O-N 3.44Å; S275-C278 PolarHBondContact O-N 3.45Å; S275-E279 PolarHBondContact O-N 3.38Å; S275-R334 PolarHBondContact OG-NH1 2.88Å |
| 276 | A | 87.3 | Confident | 77.3 | Confident | 6 Ų | 6 | 67 Ų | 67 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -33.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N272 V273 I274 | N272-A276 WeakPolarHBondContact O-CB 3.42Å; N272-A276 PolarHBondContact O-N 3.4Å; V273-A276 PolarHBondContact O-N 3.27Å; I274-A276 VanDerWaalsContact C-N 3.3Å; I274-A276 PolarHBondContact O-N 2.87Å |
| 277 | L | 86.6 | Confident | 77 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -76.8 | -29.5 | 177 | -72.3 | 167.6 | 0 | 0 | 0 | 113.3 | V273 I274 I288 L303 I338 | V273-L277 HydrophobicContact CG1-CD1 3.78Å; V273-L277 WeakPolarHBondContact O-CG 3.49Å; V273-L277 PolarHBondContact O-N 3.37Å; I274-L277 PolarHBondContact O-N 3.05Å; I274-L277 VanDerWaalsContact O-N 3.08Å; L277-I288 HydrophobicContact CD2-CD1 3.65Å; L277-I288 HydrophobicContact CD2-CG1 4.32Å; L277-I288 HydrophobicContact CG-CG2 4.37Å; L277-L303 HydrophobicContact CD1-CB 4.09Å; L277-L303 WeakPolarHBondContact CD1-O 3.3Å; L277-I338 HydrophobicContact CB-CD1 4.14Å; L277-I338 HydrophobicContact CB-CG1 3.88Å; L277-I338 HydrophobicContact CB-CG2 4.37Å; L277-I338 HydrophobicContact CD1-CD1 3.97Å; L277-I338 HydrophobicContact CD1-CG1 4.43Å; L277-I338 HydrophobicContact CD1-CG2 4.1Å |
| 278 | C | 80.4 | Confident | 76.8 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -79.6 | -22.2 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | I274 S275 R280 R334 L337 | I274-C278 PolarHBondContact O-N 3Å; I274-C278 PolarHBondContact O-SG 2.7Å; S275-C278 PolarHBondContact O-N 3.45Å; C278-R280 PolarHBondContact O-N 2.73Å; C278-R334 PolarHBondContact SG-O 2.97Å; C278-L337 HydrophobicContact CB-CB 4.44Å; C278-L337 HydrophobicContact CB-CD1 4.49Å |
| 279 | E | 74.6 | Confident | 76.8 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | trans | -63.2 | 118.8 | 179.4 | -80.6 | 176.8 | -167.5 | 0 | 0 | 110.2 | S275 D281 A282 R285 | S275-E279 PolarHBondContact O-N 3.38Å; E279-D281 PolarHBondContact O-N 3.37Å; E279-A282 PolarHBondContact O-N 2.68Å; E279-R285 IonicContact OE1-CZ 2.66Å; E279-R285 IonicContact OE1-NE 2.76Å; E279-R285 IonicContact OE1-NH2 3.84Å; E279-R285 PolarHBondContact OE1-NH2 2.96Å; E279-R285 IonicContact OE2-CZ 3.41Å; E279-R285 IonicContact OE2-NE 2.71Å; E279-R285 PolarHBondContact OE2-NE 2.67Å; E279-R285 IonicContact OE2-NH2 3.77Å; E279-R285 PolarHBondContact OE2-NH2 3.4Å | ||
| 280 | R | 54.9 | Low | 76.7 | Confident | 255 Ų | 255 | 72 Ų | 72 | 96% | 0.962 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.8 | 179.7 | -67.5 | -178 | 178.5 | 173 | -0.2 | 112.9 | C278 A282 | C278-R280 PolarHBondContact O-N 2.73Å; R280-A282 VanDerWaalsContact C-N 3.26Å; R280-A282 PolarHBondContact O-N 3.01Å |
| 281 | D | 54.8 | Low | 76.5 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 34.5 | 171.4 | -79.4 | -10.5 | 0 | 0 | 0 | 112.9 | E279 K283 K284 | E279-D281 PolarHBondContact O-N 3.37Å; D281-K283 PolarHBondContact O-N 2.91Å; D281-K284 HydrophobicContact CB-CB 4.43Å; D281-K284 HydrophobicContact CB-CD 3.95Å; D281-K284 HydrophobicContact CB-CG 4.17Å; D281-K284 WeakPolarHBondContact O-CB 3.46Å; D281-K284 PolarHBondContact O-N 3.36Å; D281-K284 VanDerWaalsContact OD2-CE 3.29Å; D281-K284 WeakPolarHBondContact OD2-CE 3.43Å; D281-K284 IonicContact OD2-NZ 2.65Å; D281-K284 PolarHBondContact OD2-NZ 3.2Å |
| 282 | A | 53.8 | Low | 76.4 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -25.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E279 R280 K284 | E279-A282 PolarHBondContact O-N 2.68Å; R280-A282 VanDerWaalsContact C-N 3.26Å; R280-A282 PolarHBondContact O-N 3.01Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 2.87Å |
| 283 | K | 54.9 | Low | 76.5 | Confident | 208 Ų | 208 | 79.1 Ų | 79.1 | 90% | 0.904 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.5 | 172 | -65.9 | -174.8 | 178.1 | -178.5 | 0 | 114.8 | D281 | D281-K283 PolarHBondContact O-N 2.91Š|
| 284 | K | 53.8 | Low | 76.5 | Confident | 163 Ų | 163 | 83 Ų | 83 | 71% | 0.709 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -37.1 | 177.5 | -67.6 | -176.7 | -175.6 | 161.2 | 0 | 112.2 | D281 A282 S286 | D281-K284 HydrophobicContact CB-CB 4.43Å; D281-K284 HydrophobicContact CB-CD 3.95Å; D281-K284 HydrophobicContact CB-CG 4.17Å; D281-K284 WeakPolarHBondContact O-CB 3.46Å; D281-K284 PolarHBondContact O-N 3.36Å; D281-K284 VanDerWaalsContact OD2-CE 3.29Å; D281-K284 WeakPolarHBondContact OD2-CE 3.43Å; D281-K284 IonicContact OD2-NZ 2.65Å; D281-K284 PolarHBondContact OD2-NZ 3.2Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 2.87Å; K284-S286 PolarHBondContact O-N 3.05Å |
| 285 | R | 55.4 | Low | 76.6 | Confident | 131 Ų | 131 | 83 Ų | 83 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | trans | -89.2 | 82.1 | 171.5 | -66.4 | -165 | -163.2 | -135.2 | 9.6 | 110.2 | E279 H287 | E279-R285 IonicContact OE1-CZ 2.66Å; E279-R285 IonicContact OE1-NE 2.76Å; E279-R285 IonicContact OE1-NH2 3.84Å; E279-R285 PolarHBondContact OE1-NH2 2.96Å; E279-R285 IonicContact OE2-CZ 3.41Å; E279-R285 IonicContact OE2-NE 2.71Å; E279-R285 PolarHBondContact OE2-NE 2.67Å; E279-R285 IonicContact OE2-NH2 3.77Å; E279-R285 PolarHBondContact OE2-NH2 3.4Å; R285-H287 PolarHBondContact O-N 3.2Å | ||
| 286 | S | 66.4 | Low | 76.8 | Confident | 124 Ų | 124 | 81.4 Ų | 81.4 | 87% | 0.867 | 38% | 0.382 | S | S | * | . | trans | -60.7 | -9.8 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 115.1 | K284 | K284-S286 PolarHBondContact O-N 3.05Š| ||
| 287 | H | 81.6 | Confident | 77 | Confident | 129 Ų | 129 | 82.9 Ų | 82.9 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | trans | -130.1 | 116.6 | -177.3 | -177.2 | -91.3 | 0 | 0 | 0 | 110.9 | R285 | R285-H287 PolarHBondContact O-N 3.2Š| ||
| 288 | I | 86.3 | Confident | 77.2 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 27% | 0.272 | 39% | 0.385 | S | S | . | . | trans | -91.9 | 129.1 | 173.5 | -59 | 153.7 | 0 | 0 | 0 | 107.9 | V273 L277 Y290 | V273-I288 HydrophobicContact CB-CG2 4.46Å; V273-I288 HydrophobicContact CG1-CG2 3.95Å; V273-I288 HydrophobicContact CG2-CG2 4.31Å; L277-I288 HydrophobicContact CD2-CD1 3.65Å; L277-I288 HydrophobicContact CD2-CG1 4.32Å; L277-I288 HydrophobicContact CG-CG2 4.37Å; I288-Y290 HydrophobicContact CB-CD2 3.85Å; I288-Y290 HydrophobicContact CB-CE2 3.53Å; I288-Y290 HydrophobicContact CD1-CE2 3.91Å; I288-Y290 HydrophobicContact CG1-CE2 4.35Å; I288-Y290 HydrophobicContact CG2-CD1 4.41Å; I288-Y290 HydrophobicContact CG2-CD2 3.69Å; I288-Y290 HydrophobicContact CG2-CE1 4.13Å; I288-Y290 HydrophobicContact CG2-CE2 3.35Å; I288-Y290 HydrophobicContact CG2-CG 4.21Å; I288-Y290 PolarHBondContact O-N 2.81Å | ||
| 289 | P | 89.2 | Confident | 77.7 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 14% | 0.143 | 38% | 0.378 | C | S | . | . | trans | -79.7 | 47.3 | -169.1 | 33.2 | -37.3 | 0 | 0 | 0 | 114.1 | N272 V273 R291 D292 | N272-P289 HydrophobicContact CB-CG 4.32Å; V273-P289 HydrophobicContact CG2-CG 4.02Å; P289-R291 PolarHBondContact O-N 2.68Å; P289-R291 VanDerWaalsContact O-N 3.07Å; P289-D292 WeakPolarHBondContact CB-OD2 3.05Å; P289-D292 PolarHBondContact O-N 3.36Å | ||
| 290 | Y | 89.3 | Confident | 78.4 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -57.4 | -26.2 | 178.4 | -65.1 | -75.2 | 0 | 0 | 0 | 113.1 | V273 I288 T296 R297 Q300 L303 | V273-Y290 HydrophobicContact CG1-CD1 3.85Å; V273-Y290 HydrophobicContact CG1-CE1 3.59Å; V273-Y290 HydrophobicContact CG2-CD1 4.24Å; I288-Y290 HydrophobicContact CB-CD2 3.85Å; I288-Y290 HydrophobicContact CB-CE2 3.53Å; I288-Y290 HydrophobicContact CD1-CE2 3.91Å; I288-Y290 HydrophobicContact CG1-CE2 4.35Å; I288-Y290 HydrophobicContact CG2-CD1 4.41Å; I288-Y290 HydrophobicContact CG2-CD2 3.69Å; I288-Y290 HydrophobicContact CG2-CE1 4.13Å; I288-Y290 HydrophobicContact CG2-CE2 3.35Å; I288-Y290 HydrophobicContact CG2-CG 4.21Å; I288-Y290 PolarHBondContact O-N 2.81Å; Y290-T296 CarbonylContact O-C 3.58Å; Y290-T296 VanDerWaalsContact O-CB 3.24Å; Y290-T296 WeakPolarHBondContact O-CB 3.46Å; Y290-T296 PolarHBondContact O-OG1 2.99Å; Y290-R297 WeakPolarHBondContact O-CG 3.44Å; Y290-R297 PolarHBondContact O-N 2.96Å; Y290-Q300 HydrophobicContact CD1-CB 3.92Å; Y290-Q300 HydrophobicContact CD1-CG 3.84Å; Y290-Q300 HydrophobicContact CD2-CG 4.01Å; Y290-Q300 HydrophobicContact CE1-CB 4.25Å; Y290-Q300 HydrophobicContact CE1-CG 3.99Å; Y290-Q300 HydrophobicContact CE2-CG 4.14Å; Y290-Q300 HydrophobicContact CG-CB 4.26Å; Y290-Q300 HydrophobicContact CG-CG 3.85Å; Y290-L303 WeakPolarHBondContact CE1-O 3.44Å; Y290-L303 PolarHBondContact OH-O 3.15Å |
| 291 | R | 88.4 | Confident | 80 | Confident | 158 Ų | 158 | 70.2 Ų | 70.2 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -80.3 | -7.7 | -176.4 | -72.9 | -176.8 | 173.6 | 152.3 | -3 | 115.5 | E160 P289 S293 R297 | E160-R291 IonicContact OE1-NE 3.46Å; E160-R291 PolarHBondContact OE1-NE 2.87Å; E160-R291 IonicContact OE1-NH2 4Å; E160-R291 IonicContact OE2-CZ 2.7Å; E160-R291 IonicContact OE2-NE 3.96Å; E160-R291 IonicContact OE2-NH2 3.81Å; E160-R291 PolarHBondContact OE2-NH2 2.92Å; P289-R291 PolarHBondContact O-N 2.68Å; P289-R291 VanDerWaalsContact O-N 3.07Å; R291-S293 PolarHBondContact O-N 3.48Å; R291-R297 HydrophobicContact CG-CG 4.44Å |
| 292 | D | 87.8 | Confident | 81.6 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -68 | -23.5 | -174.6 | -72.1 | 12.3 | 0 | 0 | 0 | 113.4 | A269 P289 | A269-D292 HydrophobicContact CB-CB 3.89Å; P289-D292 WeakPolarHBondContact CB-OD2 3.05Å; P289-D292 PolarHBondContact O-N 3.36Å |
| 293 | S | 92 | Very high | 83.2 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -138.1 | 156.1 | 173.6 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | E142 G266 R291 L295 T296 R297 | E142-S293 VanDerWaalsContact CD-OG 3.24Å; E142-S293 VanDerWaalsContact OE1-CB 3.25Å; E142-S293 WeakPolarHBondContact OE1-CB 3.37Å; E142-S293 PolarHBondContact OE1-OG 2.92Å; E142-S293 VanDerWaalsContact OE2-CA 3.26Å; E142-S293 WeakPolarHBondContact OE2-CA 3.48Å; E142-S293 PolarHBondContact OE2-OG 3.23Å; E142-S293 VanDerWaalsContact OE2-OG 3.13Å; G266-S293 WeakPolarHBondContact CA-OG 3.39Å; R291-S293 PolarHBondContact O-N 3.48Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 WeakPolarHBondContact OG-CB 3.47Å; S293-L295 PolarHBondContact OG-N 3.4Å; S293-T296 PolarHBondContact N-OG1 3.4Å; S293-T296 PolarHBondContact O-OG1 3.49Å; S293-R297 WeakPolarHBondContact O-CG 3.47Å; S293-R297 PolarHBondContact O-N 3.49Å |
| 294 | R | 91.3 | Very high | 84.7 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 166.4 | -60 | -49.5 | -179.9 | 149 | 2.3 | 112.4 | E142 I144 I158 R297 L298 | E142-R294 WeakPolarHBondContact O-CG 3.29Å; E142-R294 PolarHBondContact OE2-N 2.98Å; I144-R294 HydrophobicContact CD1-CB 4.14Å; I144-R294 HydrophobicContact CD1-CG 4.27Å; I144-R294 HydrophobicContact CG1-CB 4.29Å; I144-R294 HydrophobicContact CG1-CG 4.38Å; I158-R294 HydrophobicContact CD1-CB 4.01Å; I158-R294 HydrophobicContact CD1-CG 4.41Å; R294-R297 PolarHBondContact O-N 3.29Å; R294-L298 WeakPolarHBondContact O-CG 3.34Å; R294-L298 PolarHBondContact O-N 3.44Å; R294-L298 VanDerWaalsContact O-N 3.09Å |
| 295 | L | 92.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 179.7 | 178 | 66.9 | 0 | 0 | 0 | 111.2 | I139 H207 I209 L241 L267 L270 S293 R297 L298 L299 | I139-L295 HydrophobicContact CD1-CB 4.14Å; I139-L295 HydrophobicContact CD1-CD1 3.97Å; H207-L295 HydrophobicContact CB-CD1 4.26Å; I209-L295 HydrophobicContact CD1-CD1 4.27Å; L241-L295 HydrophobicContact CD2-CD1 3.82Å; L241-L295 HydrophobicContact CD2-CD2 4Å; L267-L295 HydrophobicContact CD2-CD2 4.44Å; L270-L295 HydrophobicContact CD2-CD2 4.21Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 WeakPolarHBondContact OG-CB 3.47Å; S293-L295 PolarHBondContact OG-N 3.4Å; L295-R297 VanDerWaalsContact C-N 3.3Å; L295-R297 PolarHBondContact O-N 2.93Å; L295-L298 PolarHBondContact O-N 2.85Å; L295-L299 HydrophobicContact CD1-CD1 3.84Å; L295-L299 HydrophobicContact CD1-CG 4.3Å; L295-L299 HydrophobicContact CG-CD1 4.08Å; L295-L299 WeakPolarHBondContact O-CG 3.39Å; L295-L299 PolarHBondContact O-N 2.96Å |
| 296 | T | 91.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -27.9 | -180 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | A269 L270 V273 Y290 S293 Q300 | A269-T296 HydrophobicContact CB-CG2 3.89Å; L270-T296 VanDerWaalsContact CA-CG2 3.48Å; L270-T296 HydrophobicContact CB-CG2 4.01Å; L270-T296 HydrophobicContact CD1-CG2 3.77Å; V273-T296 HydrophobicContact CB-CG2 4.43Å; V273-T296 HydrophobicContact CG2-CG2 3.87Å; Y290-T296 CarbonylContact O-C 3.58Å; Y290-T296 VanDerWaalsContact O-CB 3.24Å; Y290-T296 WeakPolarHBondContact O-CB 3.46Å; Y290-T296 PolarHBondContact O-OG1 2.99Å; S293-T296 PolarHBondContact N-OG1 3.4Å; S293-T296 PolarHBondContact O-OG1 3.49Å; T296-Q300 PolarHBondContact O-N 3.28Å |
| 297 | R | 91.2 | Very high | 89.1 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.8 | -43.1 | 170.7 | -66 | 174.9 | 74.7 | -163.8 | -4.9 | 111.2 | I158 E160 V165 Y290 R291 S293 R294 L295 L299 Q300 | I158-R297 HydrophobicContact CD1-CB 3.92Å; E160-R297 IonicContact OE1-CZ 2.9Å; E160-R297 VanDerWaalsContact OE1-CZ 3.24Å; E160-R297 IonicContact OE1-NE 2.84Å; E160-R297 PolarHBondContact OE1-NE 2.95Å; E160-R297 VanDerWaalsContact OE1-NE 3.08Å; E160-R297 IonicContact OE1-NH2 3.84Å; E160-R297 PolarHBondContact OE1-NH2 3.24Å; V165-R297 WeakPolarHBondContact CG2-O 3.34Å; Y290-R297 WeakPolarHBondContact O-CG 3.44Å; Y290-R297 PolarHBondContact O-N 2.96Å; R291-R297 HydrophobicContact CG-CG 4.44Å; S293-R297 WeakPolarHBondContact O-CG 3.47Å; S293-R297 PolarHBondContact O-N 3.49Å; R294-R297 PolarHBondContact O-N 3.29Å; L295-R297 VanDerWaalsContact C-N 3.3Å; L295-R297 PolarHBondContact O-N 2.93Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-L299 PolarHBondContact O-N 2.95Å; R297-Q300 VanDerWaalsContact O-CB 3.27Å; R297-Q300 WeakPolarHBondContact O-CB 3.33Å; R297-Q300 PolarHBondContact O-N 3.05Å |
| 298 | L | 90.8 | Very high | 89.6 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.7 | -28.8 | 179.1 | -66.1 | 172.8 | 0 | 0 | 0 | 113.1 | L137 I139 I144 I158 V165 I167 I209 R294 L295 | L137-L298 HydrophobicContact CD1-CD1 4.43Å; I139-L298 HydrophobicContact CD1-CD1 3.81Å; I144-L298 HydrophobicContact CD1-CD1 4.29Å; I158-L298 HydrophobicContact CD1-CD1 4.37Å; I158-L298 HydrophobicContact CD1-CD2 4.05Å; I158-L298 HydrophobicContact CD1-CG 3.89Å; I158-L298 HydrophobicContact CG1-CD2 4.48Å; V165-L298 HydrophobicContact CG1-CD2 3.88Å; I167-L298 HydrophobicContact CD1-CD1 4.18Å; I167-L298 HydrophobicContact CD1-CD2 3.66Å; I167-L298 HydrophobicContact CG1-CD2 3.92Å; I209-L298 HydrophobicContact CD1-CB 4.41Å; I209-L298 HydrophobicContact CD1-CD1 4.27Å; R294-L298 WeakPolarHBondContact O-CG 3.34Å; R294-L298 PolarHBondContact O-N 3.44Å; R294-L298 VanDerWaalsContact O-N 3.09Å; L295-L298 PolarHBondContact O-N 2.85Å |
| 299 | L | 91.1 | Very high | 90 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 12.6 | 175 | -60.9 | -179.9 | 0 | 0 | 0 | 113.8 | T81 V239 L270 L295 R297 D301 S302 L303 | T81-L299 HydrophobicContact CG2-CD2 4.4Å; V239-L299 HydrophobicContact CG2-CD2 4.22Å; L270-L299 HydrophobicContact CD1-CD1 3.94Å; L270-L299 HydrophobicContact CD2-CD1 4.39Å; L295-L299 HydrophobicContact CD1-CD1 3.84Å; L295-L299 HydrophobicContact CD1-CG 4.3Å; L295-L299 HydrophobicContact CG-CD1 4.08Å; L295-L299 WeakPolarHBondContact O-CG 3.39Å; L295-L299 PolarHBondContact O-N 2.96Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-L299 PolarHBondContact O-N 2.95Å; L299-D301 PolarHBondContact O-N 3.5Å; L299-S302 WeakPolarHBondContact O-CA 3.42Å; L299-S302 WeakPolarHBondContact O-CB 2.84Å; L299-S302 PolarHBondContact O-N 3.06Å; L299-L303 PolarHBondContact O-N 3.05Å |
| 300 | Q | 89.7 | Confident | 90.3 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -43 | -179.1 | -178.9 | 176.6 | -29.9 | 0 | 0 | 112 | Y290 T296 R297 S302 | Y290-Q300 HydrophobicContact CD1-CB 3.92Å; Y290-Q300 HydrophobicContact CD1-CG 3.84Å; Y290-Q300 HydrophobicContact CD2-CG 4.01Å; Y290-Q300 HydrophobicContact CE1-CB 4.25Å; Y290-Q300 HydrophobicContact CE1-CG 3.99Å; Y290-Q300 HydrophobicContact CE2-CG 4.14Å; Y290-Q300 HydrophobicContact CG-CB 4.26Å; Y290-Q300 HydrophobicContact CG-CG 3.85Å; T296-Q300 PolarHBondContact O-N 3.28Å; R297-Q300 VanDerWaalsContact O-CB 3.27Å; R297-Q300 WeakPolarHBondContact O-CB 3.33Å; R297-Q300 PolarHBondContact O-N 3.05Å; Q300-S302 PolarHBondContact O-N 3.35Å |
| 301 | D | 87.9 | Confident | 90.6 | Very high | 38 Ų | 38 | 28.3 Ų | 28.3 | 20% | 0.203 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24 | 174.5 | -71.4 | -22.4 | 0 | 0 | 0 | 112.1 | L299 G305 N306 S307 | L299-D301 PolarHBondContact O-N 3.5Å; D301-G305 CarbonylContact O-C 3.58Å; D301-G305 VanDerWaalsContact O-CA 3.32Å; D301-G305 WeakPolarHBondContact O-CA 3.35Å; D301-N306 CarbonylContact O-C 3.56Å; D301-N306 PolarHBondContact O-N 3.22Å; D301-N306 VanDerWaalsContact O-N 3.12Å; D301-S307 VanDerWaalsContact O-CB 3.27Å; D301-S307 WeakPolarHBondContact O-CB 3.31Å; D301-S307 PolarHBondContact O-N 3.33Å |
| 302 | S | 88.5 | Confident | 91 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -24.4 | -178.1 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | T81 L299 Q300 T309 N340 | T81-S302 WeakPolarHBondContact CG2-OG 3.39Å; T81-S302 WeakPolarHBondContact OG1-CB 3.34Å; T81-S302 PolarHBondContact OG1-OG 3.14Å; L299-S302 WeakPolarHBondContact O-CA 3.42Å; L299-S302 WeakPolarHBondContact O-CB 2.84Å; L299-S302 PolarHBondContact O-N 3.06Å; Q300-S302 PolarHBondContact O-N 3.35Å; S302-T309 WeakPolarHBondContact O-CB 3.18Å; S302-T309 WeakPolarHBondContact O-CG2 3.24Å; S302-T309 PolarHBondContact O-OG1 3Å; S302-N340 PolarHBondContact O-ND2 3.43Å |
| 303 | L | 88.8 | Confident | 91.4 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -127.6 | 95.7 | -173.7 | -65.1 | 176.5 | 0 | 0 | 0 | 110.1 | V8 F83 L270 I274 L277 Y290 L299 I338 | V8-L303 HydrophobicContact CG2-CD2 4.48Å; F83-L303 HydrophobicContact CE1-CD2 4.12Å; F83-L303 HydrophobicContact CZ-CD2 4.23Å; L270-L303 HydrophobicContact CD1-CD1 3.49Å; L270-L303 VanDerWaalsContact CD1-CD1 3.49Å; L270-L303 HydrophobicContact CG-CD1 4.31Å; I274-L303 HydrophobicContact CG1-CD1 4.29Å; L277-L303 HydrophobicContact CD1-CB 4.09Å; L277-L303 WeakPolarHBondContact CD1-O 3.3Å; Y290-L303 WeakPolarHBondContact CE1-O 3.44Å; Y290-L303 PolarHBondContact OH-O 3.15Å; L299-L303 PolarHBondContact O-N 3.05Å; L303-I338 HydrophobicContact CD2-CD1 4.2Å |
| 304 | G | 85.3 | Confident | 91.6 | Very high | 34 Ų | 34 | 17.1 Ų | 17.1 | 35% | 0.351 | 10% | 0.096 | S | C | . | . | S | Bend | trans | 86.5 | 6.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N340 | G304-N340 WeakPolarHBondContact CA-OD1 3.44Å; G304-N340 PolarHBondContact N-OD1 3.45Å |
| 305 | G | 87.8 | Confident | 91.8 | Very high | 18 Ų | 18 | 13.3 Ų | 13.3 | 19% | 0.186 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -117.4 | -155.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D301 S307 K341 | D301-G305 CarbonylContact O-C 3.58Å; D301-G305 VanDerWaalsContact O-CA 3.32Å; D301-G305 WeakPolarHBondContact O-CA 3.35Å; G305-S307 PolarHBondContact O-N 2.92Å; G305-K341 PolarHBondContact O-N 3.39Å |
| 306 | N | 88.6 | Confident | 91.9 | Very high | 33 Ų | 33 | 13.3 Ų | 13.3 | 18% | 0.176 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -90.7 | 70.9 | -178.8 | 178.8 | 12.3 | 0 | 0 | 0 | 111.8 | N79 D301 K341 I343 N345 | N79-N306 VanDerWaalsContact CB-O 3.26Å; N79-N306 WeakPolarHBondContact CB-O 3.39Å; N79-N306 PolarHBondContact ND2-O 3.32Å; D301-N306 CarbonylContact O-C 3.56Å; D301-N306 PolarHBondContact O-N 3.22Å; D301-N306 VanDerWaalsContact O-N 3.12Å; N306-K341 WeakPolarHBondContact CA-O 3.37Å; N306-I343 PolarHBondContact OD1-N 3.14Å; N306-I343 PolarHBondContact OD1-O 3.14Å; N306-N345 PolarHBondContact ND2-OD1 3.17Å |
| 307 | S | 91.5 | Very high | 92 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -157.3 | 139 | 172 | -159 | 0 | 0 | 0 | 0 | 111.7 | A80 T81 D301 G305 T309 N340 | A80-S307 VanDerWaalsContact C-OG 3.24Å; A80-S307 WeakPolarHBondContact CA-OG 3.25Å; A80-S307 PolarHBondContact N-OG 3.47Å; T81-S307 PolarHBondContact N-OG 2.95Å; T81-S307 PolarHBondContact OG1-OG 2.8Å; D301-S307 VanDerWaalsContact O-CB 3.27Å; D301-S307 WeakPolarHBondContact O-CB 3.31Å; D301-S307 PolarHBondContact O-N 3.33Å; G305-S307 PolarHBondContact O-N 2.92Å; S307-T309 PolarHBondContact O-N 2.89Å; S307-T309 PolarHBondContact O-OG1 3.07Å; S307-N340 WeakPolarHBondContact O-CB 3.25Å; S307-N340 PolarHBondContact O-ND2 3.49Å |
| 308 | A | 92.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 11% | 0.107 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 107.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | N79 A80 T81 P342 | N79-A308 PolarHBondContact O-N 2.84Å; A80-A308 VanDerWaalsContact CA-O 3.26Å; A80-A308 WeakPolarHBondContact CA-O 3.46Å; T81-A308 PolarHBondContact N-O 2.72Å; A308-P342 HydrophobicContact CB-CG 4.12Å |
| 309 | T | 94.7 | Very high | 92 | Very high | 9 Ų | 9 | 13.1 Ų | 13.1 | 6% | 0.055 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.9 | -164.4 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | V8 K9 T81 F83 S302 S307 N340 | V8-T309 HydrophobicContact CG1-CG2 4.12Å; V8-T309 HydrophobicContact CG2-CG2 4.48Å; K9-T309 PolarHBondContact N-O 3.44Å; T81-T309 HydrophobicContact CG2-CG2 4.37Å; T81-T309 CarbonylContact O-C 3.55Å; T81-T309 VanDerWaalsContact O-CA 3.3Å; T81-T309 WeakPolarHBondContact O-CA 3.41Å; F83-T309 HydrophobicContact CD1-CG2 4Å; F83-T309 HydrophobicContact CE1-CG2 3.62Å; S302-T309 WeakPolarHBondContact O-CB 3.18Å; S302-T309 WeakPolarHBondContact O-CG2 3.24Å; S302-T309 PolarHBondContact O-OG1 3Å; S307-T309 PolarHBondContact O-N 2.89Å; S307-T309 PolarHBondContact O-OG1 3.07Å; T309-N340 WeakPolarHBondContact CB-ND2 3.36Å; T309-N340 PolarHBondContact OG1-ND2 3.23Å; T309-N340 VanDerWaalsContact OG1-ND2 3.08Å |
| 310 | L | 95.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.3 | 174.9 | 174.3 | 65.2 | 0 | 0 | 0 | 109.5 | K9 Y51 A66 M70 T81 L82 F83 L312 | K9-L310 HydrophobicContact CB-CD1 3.92Å; K9-L310 CarbonylContact O-C 3.58Å; K9-L310 WeakPolarHBondContact O-CA 2.96Å; Y51-L310 HydrophobicContact CD2-CD1 4.48Å; Y51-L310 HydrophobicContact CE2-CD1 4.36Å; A66-L310 HydrophobicContact CB-CD2 3.92Å; A66-L310 WeakPolarHBondContact O-CD2 3.49Å; M70-L310 HydrophobicContact CE-CB 4.1Å; M70-L310 HydrophobicContact SD-CB 3.57Å; M70-L310 VanDerWaalsContact SD-CB 3.57Å; M70-L310 HydrophobicContact SD-CD2 3.65Å; M70-L310 HydrophobicContact SD-CG 4.27Å; T81-L310 PolarHBondContact O-N 3.32Å; L82-L310 WeakPolarHBondContact CA-O 3.27Å; L82-L310 HydrophobicContact CD1-CD2 3.83Å; L82-L310 HydrophobicContact CG-CB 4.5Å; L82-L310 HydrophobicContact CG-CD2 4Å; L82-L310 HydrophobicContact CG-CG 4.39Å; F83-L310 PolarHBondContact N-O 3.22Å; L310-L312 HydrophobicContact CD1-CD2 4.29Å; L310-L312 HydrophobicContact CD2-CD2 4.25Å; L310-L312 HydrophobicContact CD2-CG 4.38Å; L310-L312 HydrophobicContact CG-CD2 4.27Å; L310-L312 HydrophobicContact CG-CG 4.35Å |
| 311 | M | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.8 | 166.7 | 178.8 | 179.3 | 173 | 0 | 0 | 109.4 | V8 K9 V10 G11 F83 Y85 A313 Y331 A332 A335 | V8-M311 HydrophobicContact CG1-CB 4.46Å; K9-M311 PolarHBondContact O-N 3.09Å; V10-M311 WeakPolarHBondContact CA-O 3.25Å; V10-M311 HydrophobicContact CG2-CB 4.35Å; G11-M311 PolarHBondContact N-O 3.4Å; F83-M311 HydrophobicContact CD2-CB 4.5Å; F83-M311 HydrophobicContact CD2-CG 4.15Å; F83-M311 HydrophobicContact CE1-CB 4.07Å; F83-M311 HydrophobicContact CE2-CB 3.86Å; F83-M311 HydrophobicContact CE2-CG 3.49Å; F83-M311 VanDerWaalsContact CE2-CG 3.49Å; F83-M311 HydrophobicContact CE2-SD 3.93Å; F83-M311 HydrophobicContact CZ-CB 3.62Å; F83-M311 HydrophobicContact CZ-CG 3.75Å; F83-M311 HydrophobicContact CZ-SD 4.11Å; Y85-M311 HydrophobicContact CD1-CE 3.65Å; Y85-M311 HydrophobicContact CG-CE 3.76Å; M311-A313 HydrophobicContact CE-CB 4.1Å; M311-Y331 HydrophobicContact CE-CD1 3.59Å; M311-Y331 HydrophobicContact CE-CE1 4.03Å; M311-Y331 HydrophobicContact SD-CD1 4.22Å; M311-Y331 HydrophobicContact SD-CE1 4.41Å; M311-A332 HydrophobicContact CE-CB 3.98Å; M311-A332 HydrophobicContact SD-CB 4.29Å; M311-A335 HydrophobicContact SD-CB 3.63Å |
| 312 | L | 96.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 107.3 | 166.7 | -67 | -178.2 | 0 | 0 | 0 | 109.9 | G11 A66 L82 F83 A84 Y85 T95 I111 L310 C314 | G11-L312 CarbonylContact O-C 3.42Å; G11-L312 WeakPolarHBondContact O-CA 3.48Å; A66-L312 HydrophobicContact CB-CD2 4.42Å; L82-L312 HydrophobicContact CD2-CD1 3.94Å; L82-L312 HydrophobicContact CD2-CG 4.43Å; L82-L312 HydrophobicContact CG-CD1 4.45Å; F83-L312 PolarHBondContact O-N 2.91Å; A84-L312 CarbonylContact C-O 3.51Å; A84-L312 WeakPolarHBondContact CA-O 3.29Å; Y85-L312 PolarHBondContact N-O 3.27Å; T95-L312 HydrophobicContact CG2-CD1 3.96Å; I111-L312 HydrophobicContact CD1-CD1 3.31Å; L310-L312 HydrophobicContact CD1-CD2 4.29Å; L310-L312 HydrophobicContact CD2-CD2 4.25Å; L310-L312 HydrophobicContact CD2-CG 4.38Å; L310-L312 HydrophobicContact CG-CD2 4.27Å; L310-L312 HydrophobicContact CG-CG 4.35Å; L312-C314 PolarHBondContact O-N 2.69Å |
| 313 | A | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 99 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G11 V12 R13 Y85 M311 T328 A332 | G11-A313 PolarHBondContact O-N 2.94Å; V12-A313 WeakPolarHBondContact CA-O 3.44Å; V12-A313 HydrophobicContact CG2-CB 4.13Å; R13-A313 PolarHBondContact N-O 3.47Å; Y85-A313 CarbonylContact O-C 3.55Å; Y85-A313 WeakPolarHBondContact O-CA 3.31Å; M311-A313 HydrophobicContact CE-CB 4.1Å; A313-T328 HydrophobicContact CB-CG2 3.95Å; A313-A332 HydrophobicContact CB-CB 3.95Å |
| 314 | C | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.3 | 178 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | R13 Y85 S90 K92 L312 | R13-C314 WeakPolarHBondContact O-CA 3.36Å; Y85-C314 PolarHBondContact O-N 3.44Å; S90-C314 WeakPolarHBondContact CB-O 3.43Å; S90-C314 WeakPolarHBondContact OG-CB 3.47Å; S90-C314 PolarHBondContact OG-O 3.08Å; K92-C314 HydrophobicContact CG-CB 3.9Å; L312-C314 PolarHBondContact O-N 2.69Å |
| 315 | V | 96 | Very high | 92.7 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 153.4 | -174 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | V12 R13 V14 R15 L30 T325 T328 | V12-V315 HydrophobicContact CG1-CG2 3.87Å; R13-V315 PolarHBondContact O-N 2.88Å; V14-V315 HydrophobicContact CB-CG2 4.29Å; V14-V315 HydrophobicContact CG1-CG2 4.42Å; V14-V315 HydrophobicContact CG2-CG2 3.78Å; R15-V315 PolarHBondContact N-O 3.14Å; L30-V315 HydrophobicContact CD1-CG2 4.06Å; V315-T325 HydrophobicContact CB-CG2 3.81Å; V315-T325 HydrophobicContact CG1-CG2 3.98Å; V315-T325 HydrophobicContact CG2-CG2 4.27Å; V315-T328 HydrophobicContact CG1-CG2 3.54Å |
| 316 | S | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -90.1 | 139 | 168.2 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | R15 E21 A318 T325 | R15-S316 PolarHBondContact NH1-OG 3.45Å; R15-S316 PolarHBondContact NH2-OG 3.07Å; E21-S316 PolarHBondContact OE1-OG 2.79Å; S316-A318 VanDerWaalsContact C-N 3.28Å; S316-A318 PolarHBondContact OG-N 3.24Å; S316-T325 PolarHBondContact O-OG1 3.3Å | ||
| 317 | P | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -74.4 | -16.2 | 171 | 29.8 | -33.6 | 0 | 0 | 0 | 113 | V14 R15 L17 T28 C29 L30 E55 D319 | V14-P317 HydrophobicContact CG1-CB 3.75Å; V14-P317 HydrophobicContact CG1-CG 4.01Å; R15-P317 WeakPolarHBondContact O-CD 3.5Å; R15-P317 WeakPolarHBondContact O-CG 3.27Å; L17-P317 HydrophobicContact CD2-CG 3.89Å; L17-P317 HydrophobicContact CG-CG 4.06Å; T28-P317 CarbonylContact C-O 3.59Å; T28-P317 WeakPolarHBondContact CA-O 3.32Å; T28-P317 HydrophobicContact CG2-CB 3.97Å; C29-P317 PolarHBondContact N-O 3.25Å; C29-P317 PolarHBondContact SG-O 2.95Å; L30-P317 HydrophobicContact CD1-CB 4.47Å; E55-P317 HydrophobicContact CG-CG 4.49Å; P317-D319 PolarHBondContact O-N 2.86Å | ||
| 318 | A | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 133.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L17 E21 S316 I320 N321 M322 | L17-A318 HydrophobicContact CD2-CB 3.68Å; E21-A318 HydrophobicContact CB-CB 4.32Å; E21-A318 HydrophobicContact CG-CB 3.9Å; E21-A318 VanDerWaalsContact OE1-CB 3.26Å; E21-A318 WeakPolarHBondContact OE1-CB 3.35Å; S316-A318 VanDerWaalsContact C-N 3.28Å; S316-A318 PolarHBondContact OG-N 3.24Å; A318-I320 VanDerWaalsContact C-N 3.33Å; A318-I320 HydrophobicContact CB-CG2 3.95Å; A318-I320 PolarHBondContact O-N 3.27Å; A318-N321 CarbonylContact O-C 3.52Å; A318-N321 WeakPolarHBondContact O-CA 3.36Å; A318-N321 WeakPolarHBondContact O-CB 3.22Å; A318-N321 PolarHBondContact O-N 3.29Å; A318-M322 PolarHBondContact O-N 3.08Å |
| 319 | D | 90.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 19.2 Ų | 19.2 | 34% | 0.337 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | -52.9 | -40.5 | 173.5 | 50.9 | 11.2 | 0 | 0 | 0 | 114.3 | S26 S27 C29 P317 N321 M322 | S26-D319 WeakPolarHBondContact CA-OD1 3.35Å; S26-D319 WeakPolarHBondContact CB-OD1 3.47Å; S27-D319 WeakPolarHBondContact CA-OD2 3.4Å; S27-D319 WeakPolarHBondContact CB-OD2 3.46Å; S27-D319 VanDerWaalsContact N-CG 3.28Å; S27-D319 PolarHBondContact N-OD1 2.63Å; S27-D319 PolarHBondContact N-OD2 3.32Å; S27-D319 PolarHBondContact O-N 3.07Å; S27-D319 PolarHBondContact OG-OD2 2.95Å; C29-D319 HydrophobicContact CB-CB 4.21Å; P317-D319 PolarHBondContact O-N 2.86Å; D319-N321 PolarHBondContact O-N 3.42Å; D319-M322 WeakPolarHBondContact O-CB 3.4Å; D319-M322 PolarHBondContact O-N 3.09Å |
| 320 | I | 89.3 | Confident | 93.4 | Very high | 96 Ų | 96 | 25 Ų | 25 | 49% | 0.492 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -56.2 | -25.1 | 172.7 | -164 | 172.4 | 0 | 0 | 0 | 113.1 | K249 A318 | K249-I320 PolarHBondContact NZ-O 3.36Å; A318-I320 VanDerWaalsContact C-N 3.33Å; A318-I320 HydrophobicContact CB-CG2 3.95Å; A318-I320 PolarHBondContact O-N 3.27Å |
| 321 | N | 90.1 | Very high | 93.3 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 12% | 0.118 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -101.3 | 0.7 | 179.5 | -75.5 | -48.1 | 0 | 0 | 0 | 113.7 | E21 Q87 A318 D319 E323 E324 T325 | E21-N321 PolarHBondContact OE1-ND2 3.46Å; Q87-N321 VanDerWaalsContact NE2-CG 3.35Å; Q87-N321 PolarHBondContact NE2-OD1 2.95Å; Q87-N321 PolarHBondContact OE1-OD1 2.83Å; A318-N321 CarbonylContact O-C 3.52Å; A318-N321 WeakPolarHBondContact O-CA 3.36Å; A318-N321 WeakPolarHBondContact O-CB 3.22Å; A318-N321 PolarHBondContact O-N 3.29Å; D319-N321 PolarHBondContact O-N 3.42Å; N321-E323 VanDerWaalsContact C-N 3.3Å; N321-E323 PolarHBondContact O-N 3.11Å; N321-E323 VanDerWaalsContact O-N 3.13Å; N321-E324 PolarHBondContact O-N 3.48Å; N321-T325 PolarHBondContact O-N 2.94Å |
| 322 | M | 90.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 25.1 Ų | 25.1 | 28% | 0.276 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -52.2 | -39.6 | -174.5 | -173 | -166.4 | -173.8 | 0 | 0 | 114 | C29 I41 A318 D319 L326 | C29-M322 HydrophobicContact CB-CB 4.41Å; C29-M322 HydrophobicContact CB-CG 4.24Å; I41-M322 HydrophobicContact CD1-CG 3.81Å; I41-M322 HydrophobicContact CG1-CE 3.85Å; I41-M322 HydrophobicContact CG1-CG 3.87Å; A318-M322 PolarHBondContact O-N 3.08Å; D319-M322 WeakPolarHBondContact O-CB 3.4Å; D319-M322 PolarHBondContact O-N 3.09Å; M322-L326 VanDerWaalsContact O-CB 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.29Å; M322-L326 PolarHBondContact O-N 2.9Å |
| 323 | E | 90.1 | Very high | 93 | Very high | 95 Ų | 95 | 27.6 Ų | 27.6 | 44% | 0.444 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 179.3 | -163.2 | -166.2 | 164.7 | 0 | 0 | 112.2 | R246 N321 L326 N327 | R246-E323 IonicContact CZ-OE1 3.58Å; R246-E323 IonicContact NH1-OE1 3.24Å; R246-E323 PolarHBondContact NH1-OE1 3.07Å; R246-E323 IonicContact NH2-OE1 3.47Å; N321-E323 VanDerWaalsContact C-N 3.3Å; N321-E323 PolarHBondContact O-N 3.11Å; N321-E323 VanDerWaalsContact O-N 3.13Å; E323-L326 PolarHBondContact O-N 3.4Å; E323-N327 WeakPolarHBondContact O-CB 3.46Å; E323-N327 PolarHBondContact O-N 3.37Å; E323-N327 PolarHBondContact O-ND2 3.24Å |
| 324 | E | 92.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -78.4 | -33 | -177.9 | -61.2 | -64.5 | -164.3 | 0 | 0 | 111.9 | Q87 R246 K249 N321 N327 T328 | Q87-E324 HydrophobicContact CB-CB 4.42Å; R246-E324 PolarHBondContact N-OE1 2.82Å; K249-E324 HydrophobicContact CD-CG 4.14Å; N321-E324 PolarHBondContact O-N 3.48Å; E324-N327 PolarHBondContact O-N 3.38Å; E324-N327 PolarHBondContact OE2-ND2 2.89Å; E324-T328 VanDerWaalsContact O-CB 3.28Å; E324-T328 WeakPolarHBondContact O-CB 3.38Å; E324-T328 PolarHBondContact O-N 3.42Å; E324-T328 PolarHBondContact O-OG1 2.98Å |
| 325 | T | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 164.4 | -68.7 | 0 | 0 | 0 | 0 | 110.4 | L30 I41 V315 S316 N321 N327 T328 L329 | L30-T325 HydrophobicContact CD1-CG2 4.19Å; L30-T325 HydrophobicContact CD2-CG2 4.06Å; L30-T325 HydrophobicContact CG-CG2 4.49Å; I41-T325 HydrophobicContact CD1-CG2 3.63Å; V315-T325 HydrophobicContact CB-CG2 3.81Å; V315-T325 HydrophobicContact CG1-CG2 3.98Å; V315-T325 HydrophobicContact CG2-CG2 4.27Å; S316-T325 PolarHBondContact O-OG1 3.3Å; N321-T325 PolarHBondContact O-N 2.94Å; T325-N327 PolarHBondContact O-N 3.16Å; T325-T328 WeakPolarHBondContact O-CB 3.44Å; T325-T328 PolarHBondContact O-N 3.31Å; T325-T328 VanDerWaalsContact O-N 3.15Å; T325-L329 HydrophobicContact CG2-CD1 3.89Å; T325-L329 HydrophobicContact CG2-CG 4.35Å; T325-L329 VanDerWaalsContact O-CG 3.23Å; T325-L329 WeakPolarHBondContact O-CG 3.32Å; T325-L329 PolarHBondContact O-N 3.38Å |
| 326 | L | 93.2 | Very high | 92.4 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 10% | 0.099 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.1 | -179.6 | 62.4 | 0 | 0 | 0 | 112.7 | I41 K45 F47 M322 E323 T328 L329 R330 | I41-L326 HydrophobicContact CD1-CB 4.04Å; I41-L326 HydrophobicContact CG2-CD1 3.9Å; K45-L326 HydrophobicContact CD-CD1 4.13Å; K45-L326 HydrophobicContact CD-CD2 4.36Å; F47-L326 HydrophobicContact CE2-CD1 3.74Å; F47-L326 HydrophobicContact CZ-CD1 3.73Å; M322-L326 VanDerWaalsContact O-CB 3.25Å; M322-L326 WeakPolarHBondContact O-CB 3.29Å; M322-L326 PolarHBondContact O-N 2.9Å; E323-L326 PolarHBondContact O-N 3.4Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-L329 PolarHBondContact O-N 2.66Å; L326-R330 HydrophobicContact CD1-CG 4.38Å; L326-R330 WeakPolarHBondContact O-CB 3.45Å; L326-R330 WeakPolarHBondContact O-CG 3.3Å; L326-R330 PolarHBondContact O-N 2.89Å |
| 327 | N | 92.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 174.4 | -71 | -34.8 | 0 | 0 | 0 | 111 | R246 E323 E324 T325 R330 Y331 | R246-N327 PolarHBondContact NE-ND2 3.36Å; R246-N327 PolarHBondContact NH2-ND2 3.25Å; R246-N327 VanDerWaalsContact NH2-ND2 3.12Å; R246-N327 PolarHBondContact NH2-OD1 2.93Å; E323-N327 WeakPolarHBondContact O-CB 3.46Å; E323-N327 PolarHBondContact O-N 3.37Å; E323-N327 PolarHBondContact O-ND2 3.24Å; E324-N327 PolarHBondContact O-N 3.38Å; E324-N327 PolarHBondContact OE2-ND2 2.89Å; T325-N327 PolarHBondContact O-N 3.16Å; N327-R330 PolarHBondContact O-N 2.92Å; N327-Y331 VanDerWaalsContact O-CB 3.32Å; N327-Y331 WeakPolarHBondContact O-CB 3.4Å; N327-Y331 PolarHBondContact O-N 2.88Å |
| 328 | T | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 177.6 | -62 | 0 | 0 | 0 | 0 | 111.9 | Y85 A313 V315 E324 T325 L326 Y331 A332 | Y85-T328 HydrophobicContact CD1-CG2 3.99Å; Y85-T328 HydrophobicContact CE1-CG2 4.17Å; A313-T328 HydrophobicContact CB-CG2 3.95Å; V315-T328 HydrophobicContact CG1-CG2 3.54Å; E324-T328 VanDerWaalsContact O-CB 3.28Å; E324-T328 WeakPolarHBondContact O-CB 3.38Å; E324-T328 PolarHBondContact O-N 3.42Å; E324-T328 PolarHBondContact O-OG1 2.98Å; T325-T328 WeakPolarHBondContact O-CB 3.44Å; T325-T328 PolarHBondContact O-N 3.31Å; T325-T328 VanDerWaalsContact O-N 3.15Å; L326-T328 VanDerWaalsContact C-N 3.33Å; T328-Y331 WeakPolarHBondContact O-CB 3.45Å; T328-Y331 PolarHBondContact O-N 3.4Å; T328-A332 VanDerWaalsContact O-CB 3.3Å; T328-A332 WeakPolarHBondContact O-CB 3.36Å; T328-A332 PolarHBondContact O-N 3.03Å |
| 329 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.8 | -66.5 | 169 | 0 | 0 | 0 | 112.4 | V12 L39 I41 F47 F49 T325 L326 Y331 A332 D333 | V12-L329 HydrophobicContact CG1-CD2 4Å; V12-L329 HydrophobicContact CG2-CD2 3.84Å; L39-L329 HydrophobicContact CD1-CD1 3.5Å; L39-L329 VanDerWaalsContact CD1-CD1 3.5Å; L39-L329 HydrophobicContact CD1-CD2 3.71Å; L39-L329 HydrophobicContact CD1-CG 4.22Å; L39-L329 HydrophobicContact CD2-CD2 3.82Å; L39-L329 HydrophobicContact CG-CD2 4.37Å; I41-L329 HydrophobicContact CB-CD1 4.25Å; I41-L329 HydrophobicContact CD1-CD1 4.08Å; I41-L329 HydrophobicContact CG2-CD1 4.08Å; F47-L329 HydrophobicContact CD1-CB 4.34Å; F47-L329 HydrophobicContact CD2-CB 4.24Å; F47-L329 HydrophobicContact CD2-CD1 4.16Å; F47-L329 HydrophobicContact CE1-CB 4.28Å; F47-L329 HydrophobicContact CE2-CB 4.17Å; F47-L329 HydrophobicContact CE2-CD1 4.29Å; F47-L329 HydrophobicContact CG-CB 4.32Å; F47-L329 HydrophobicContact CZ-CB 4.2Å; F49-L329 HydrophobicContact CE2-CD2 3.76Å; F49-L329 HydrophobicContact CZ-CB 4.38Å; F49-L329 HydrophobicContact CZ-CD2 3.86Å; T325-L329 HydrophobicContact CG2-CD1 3.89Å; T325-L329 HydrophobicContact CG2-CG 4.35Å; T325-L329 VanDerWaalsContact O-CG 3.23Å; T325-L329 WeakPolarHBondContact O-CG 3.32Å; T325-L329 PolarHBondContact O-N 3.38Å; L326-L329 PolarHBondContact O-N 2.66Å; L329-Y331 VanDerWaalsContact C-N 3.28Å; L329-Y331 PolarHBondContact O-N 2.78Å; L329-A332 PolarHBondContact O-N 3.14Å; L329-D333 PolarHBondContact O-N 3.46Å |
| 330 | R | 93.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 44.3 Ų | 44.3 | 49% | 0.494 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.3 | -27.6 | 174 | -73.1 | 173.1 | 167.3 | -177.5 | -5.1 | 113.4 | F47 L326 N327 R334 | F47-R330 HydrophobicContact CE1-CG 4.01Å; F47-R330 HydrophobicContact CZ-CG 3.88Å; L326-R330 HydrophobicContact CD1-CG 4.38Å; L326-R330 WeakPolarHBondContact O-CB 3.45Å; L326-R330 WeakPolarHBondContact O-CG 3.3Å; L326-R330 PolarHBondContact O-N 2.89Å; N327-R330 PolarHBondContact O-N 2.92Å; R330-R334 WeakPolarHBondContact O-CG 3.33Å; R330-R334 PolarHBondContact O-NE 2.74Å; R330-R334 VanDerWaalsContact O-NE 3.08Å |
| 331 | Y | 93.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.7 | -45.8 | 172.8 | -169.2 | -77 | 0 | 0 | 0 | 110.5 | Y85 L270 I274 M311 N327 T328 L329 R334 A335 | Y85-Y331 HydrophobicContact CD1-CD1 4.21Å; Y85-Y331 HydrophobicContact CD2-CD1 4.46Å; Y85-Y331 AromaticContact CD2-CE1 3.98Å; Y85-Y331 HydrophobicContact CD2-CE1 3.98Å; Y85-Y331 AromaticContact CE1-CD1 3.97Å; Y85-Y331 HydrophobicContact CE1-CD1 3.97Å; Y85-Y331 HydrophobicContact CE1-CD2 4.33Å; Y85-Y331 HydrophobicContact CE1-CE1 4.39Å; Y85-Y331 AromaticContact CE1-CG 3.92Å; Y85-Y331 HydrophobicContact CE1-CG 3.92Å; Y85-Y331 HydrophobicContact CE2-CD1 4.18Å; Y85-Y331 HydrophobicContact CE2-CD2 4.25Å; Y85-Y331 AromaticContact CE2-CE1 3.79Å; Y85-Y331 HydrophobicContact CE2-CE1 3.79Å; Y85-Y331 AromaticContact CE2-CE2 3.89Å; Y85-Y331 HydrophobicContact CE2-CE2 3.89Å; Y85-Y331 HydrophobicContact CE2-CG 4.38Å; Y85-Y331 AromaticContact CE2-CZ 3.63Å; Y85-Y331 HydrophobicContact CG-CD1 4.48Å; Y85-Y331 HydrophobicContact CG-CE1 4.35Å; Y85-Y331 AromaticContact CZ-CD1 3.94Å; Y85-Y331 AromaticContact CZ-CD2 3.75Å; Y85-Y331 AromaticContact CZ-CE2 3.85Å; Y85-Y331 AromaticContact CZ-CG 3.79Å; Y85-Y331 AromaticContact CZ-CZ 3.98Å; Y85-Y331 WeakPolarHBondContact OH-CD2 3.38Å; L270-Y331 WeakPolarHBondContact CB-OH 3.5Å; L270-Y331 VanDerWaalsContact CD2-OH 3.23Å; L270-Y331 WeakPolarHBondContact CD2-OH 3.35Å; L270-Y331 WeakPolarHBondContact CG-OH 3.45Å; I274-Y331 HydrophobicContact CD1-CD1 4.18Å; I274-Y331 HydrophobicContact CD1-CE1 3.35Å; I274-Y331 HydrophobicContact CD1-CE2 4.44Å; I274-Y331 WeakPolarHBondContact CD1-OH 3.33Å; M311-Y331 HydrophobicContact CE-CD1 3.59Å; M311-Y331 HydrophobicContact CE-CE1 4.03Å; M311-Y331 HydrophobicContact SD-CD1 4.22Å; M311-Y331 HydrophobicContact SD-CE1 4.41Å; N327-Y331 VanDerWaalsContact O-CB 3.32Å; N327-Y331 WeakPolarHBondContact O-CB 3.4Å; N327-Y331 PolarHBondContact O-N 2.88Å; T328-Y331 WeakPolarHBondContact O-CB 3.45Å; T328-Y331 PolarHBondContact O-N 3.4Å; L329-Y331 VanDerWaalsContact C-N 3.28Å; L329-Y331 PolarHBondContact O-N 2.78Å; Y331-R334 PolarHBondContact O-N 3.44Å; Y331-A335 PolarHBondContact O-N 3.38Å |
| 332 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V10 F49 M311 A313 T328 L329 R334 A335 R336 | V10-A332 HydrophobicContact CG1-CB 3.71Å; F49-A332 HydrophobicContact CD1-CB 4.47Å; F49-A332 HydrophobicContact CE1-CB 3.71Å; F49-A332 HydrophobicContact CZ-CB 4.3Å; M311-A332 HydrophobicContact CE-CB 3.98Å; M311-A332 HydrophobicContact SD-CB 4.29Å; A313-A332 HydrophobicContact CB-CB 3.95Å; T328-A332 VanDerWaalsContact O-CB 3.3Å; T328-A332 WeakPolarHBondContact O-CB 3.36Å; T328-A332 PolarHBondContact O-N 3.03Å; L329-A332 PolarHBondContact O-N 3.14Å; A332-R334 PolarHBondContact O-N 2.97Å; A332-A335 WeakPolarHBondContact O-CB 3.14Å; A332-A335 PolarHBondContact O-N 2.85Å; A332-R336 PolarHBondContact O-N 3.12Å; A332-R336 VanDerWaalsContact O-N 3.09Å |
| 333 | D | 92.6 | Very high | 91.4 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 178.7 | -179.5 | 58 | 0 | 0 | 0 | 112.1 | F47 F49 L329 R336 | F47-D333 HydrophobicContact CD1-CB 4.32Å; F49-D333 HydrophobicContact CE1-CB 4.19Å; L329-D333 PolarHBondContact O-N 3.46Å; D333-R336 IonicContact OD1-CZ 2.8Å; D333-R336 IonicContact OD1-NE 3.25Å; D333-R336 IonicContact OD1-NH2 2.8Å; D333-R336 PolarHBondContact OD1-NH2 3.42Å |
| 334 | R | 92.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 32% | 0.317 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.1 | -51.4 | 169.2 | -75 | -177.4 | -66.2 | 161.2 | 1.6 | 111.1 | I274 S275 C278 R330 Y331 A332 R336 L337 | I274-R334 HydrophobicContact CG2-CB 3.86Å; S275-R334 PolarHBondContact OG-NH1 2.88Å; C278-R334 PolarHBondContact SG-O 2.97Å; R330-R334 WeakPolarHBondContact O-CG 3.33Å; R330-R334 PolarHBondContact O-NE 2.74Å; R330-R334 VanDerWaalsContact O-NE 3.08Å; Y331-R334 PolarHBondContact O-N 3.44Å; A332-R334 PolarHBondContact O-N 2.97Å; R334-R336 PolarHBondContact O-N 3.41Å; R334-R336 VanDerWaalsContact O-N 3.15Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 2.85Å |
| 335 | A | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.6 | -39.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V10 I274 M311 Y331 A332 L337 I338 | V10-A335 HydrophobicContact CG2-CB 4.46Å; I274-A335 HydrophobicContact CD1-CB 4.12Å; M311-A335 HydrophobicContact SD-CB 3.63Å; Y331-A335 PolarHBondContact O-N 3.38Å; A332-A335 WeakPolarHBondContact O-CB 3.14Å; A332-A335 PolarHBondContact O-N 2.85Å; A335-L337 PolarHBondContact O-N 2.92Å; A335-I338 WeakPolarHBondContact O-CB 3.39Å; A335-I338 WeakPolarHBondContact O-CG1 3.46Å; A335-I338 PolarHBondContact O-N 2.95Å |
| 336 | R | 91.7 | Very high | 89.9 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 29% | 0.291 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -26.4 | 176.5 | -168.6 | 176.2 | 56.1 | 158.6 | -9.7 | 114.5 | S7 V10 G48 A332 D333 R334 I338 | S7-R336 WeakPolarHBondContact CB-O 3.46Å; V10-R336 HydrophobicContact CB-CB 4.41Å; V10-R336 HydrophobicContact CG2-CB 3.68Å; V10-R336 HydrophobicContact CG2-CG 4.28Å; G48-R336 PolarHBondContact O-NH1 3.26Å; G48-R336 PolarHBondContact O-NH2 3.13Å; G48-R336 VanDerWaalsContact O-NH2 3.1Å; A332-R336 PolarHBondContact O-N 3.12Å; A332-R336 VanDerWaalsContact O-N 3.09Å; D333-R336 IonicContact OD1-CZ 2.8Å; D333-R336 IonicContact OD1-NE 3.25Å; D333-R336 IonicContact OD1-NH2 2.8Å; D333-R336 PolarHBondContact OD1-NH2 3.42Å; R334-R336 PolarHBondContact O-N 3.41Å; R334-R336 VanDerWaalsContact O-N 3.15Å; R336-I338 VanDerWaalsContact C-N 3.29Å; R336-I338 PolarHBondContact O-N 3.39Å |
| 337 | L | 89.8 | Confident | 88.6 | Confident | 101 Ų | 101 | 53.2 Ų | 53.2 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13.6 | 179.2 | -58.5 | 175.9 | 0 | 0 | 0 | 113.2 | C278 R334 A335 | C278-L337 HydrophobicContact CB-CB 4.44Å; C278-L337 HydrophobicContact CB-CD1 4.49Å; R334-L337 WeakPolarHBondContact O-CB 3.4Å; R334-L337 PolarHBondContact O-N 2.85Å; A335-L337 PolarHBondContact O-N 2.92Å |
| 338 | I | 90.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 131.6 | 178.3 | -58.6 | 175.7 | 0 | 0 | 0 | 109.2 | S7 V8 I274 L277 L303 A335 R336 | S7-I338 CarbonylContact C-O 3.56Å; S7-I338 VanDerWaalsContact CA-O 3.29Å; S7-I338 WeakPolarHBondContact CA-O 3.09Å; V8-I338 HydrophobicContact CG2-CB 3.85Å; V8-I338 HydrophobicContact CG2-CG2 3.97Å; V8-I338 PolarHBondContact N-O 3.23Å; I274-I338 HydrophobicContact CB-CD1 4.14Å; I274-I338 HydrophobicContact CD1-CD1 4.45Å; I274-I338 HydrophobicContact CG1-CD1 3.75Å; I274-I338 HydrophobicContact CG2-CD1 4.07Å; L277-I338 HydrophobicContact CB-CD1 4.14Å; L277-I338 HydrophobicContact CB-CG1 3.88Å; L277-I338 HydrophobicContact CB-CG2 4.37Å; L277-I338 HydrophobicContact CD1-CD1 3.97Å; L277-I338 HydrophobicContact CD1-CG1 4.43Å; L277-I338 HydrophobicContact CD1-CG2 4.1Å; L303-I338 HydrophobicContact CD2-CD1 4.2Å; A335-I338 WeakPolarHBondContact O-CB 3.39Å; A335-I338 WeakPolarHBondContact O-CG1 3.46Å; A335-I338 PolarHBondContact O-N 2.95Å; R336-I338 VanDerWaalsContact C-N 3.29Å; R336-I338 PolarHBondContact O-N 3.39Å |
| 339 | K | 88.6 | Confident | 85.7 | Confident | 151 Ų | 151 | 60.6 Ų | 60.6 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.6 | 173.7 | -62.1 | -174.7 | 178.4 | -171.1 | 0 | 110 | ||
| 340 | N | 90.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 158.6 | 170.2 | -70.1 | 7 | 0 | 0 | 0 | 109.6 | D5 T6 S302 G304 S307 T309 | D5-N340 WeakPolarHBondContact CA-O 3.33Å; T6-N340 PolarHBondContact N-O 3.03Å; T6-N340 PolarHBondContact O-N 3.43Å; S302-N340 PolarHBondContact O-ND2 3.43Å; G304-N340 WeakPolarHBondContact CA-OD1 3.44Å; G304-N340 PolarHBondContact N-OD1 3.45Å; S307-N340 WeakPolarHBondContact O-CB 3.25Å; S307-N340 PolarHBondContact O-ND2 3.49Å; T309-N340 WeakPolarHBondContact CB-ND2 3.36Å; T309-N340 PolarHBondContact OG1-ND2 3.23Å; T309-N340 VanDerWaalsContact OG1-ND2 3.08Å |
| 341 | K | 87.7 | Confident | 82.5 | Confident | 116 Ų | 116 | 66.6 Ų | 66.6 | 50% | 0.504 | 32% | 0.318 | S | S | . | . | trans | -124.8 | 86.7 | 173.2 | -172.8 | 173.9 | -179.4 | 175.7 | 0 | 109.6 | G305 N306 I343 | G305-K341 PolarHBondContact O-N 3.39Å; N306-K341 WeakPolarHBondContact CA-O 3.37Å; K341-I343 HydrophobicContact CG-CG1 4.38Å; K341-I343 PolarHBondContact O-N 3.34Å | ||
| 342 | P | 87.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | trans | -65.5 | 124.5 | 175.5 | -16.7 | 31.3 | 0 | 0 | 0 | 110.2 | I3 T6 Y78 A308 | I3-P342 HydrophobicContact CG2-CB 4.46Å; I3-P342 HydrophobicContact CG2-CG 4.17Å; T6-P342 VanDerWaalsContact OG1-CD 3.22Å; T6-P342 WeakPolarHBondContact OG1-CD 3.22Å; T6-P342 VanDerWaalsContact OG1-CG 3.26Å; T6-P342 WeakPolarHBondContact OG1-CG 3.31Å; Y78-P342 HydrophobicContact CD1-CB 3.97Å; A308-P342 HydrophobicContact CB-CG 4.12Å | ||
| 343 | I | 85.5 | Confident | 79.5 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | trans | -113.8 | 143.8 | 178.9 | -60.3 | 167 | 0 | 0 | 0 | 107.9 | N306 K341 N345 | N306-I343 PolarHBondContact OD1-N 3.14Å; N306-I343 PolarHBondContact OD1-O 3.14Å; K341-I343 HydrophobicContact CG-CG1 4.38Å; K341-I343 PolarHBondContact O-N 3.34Å; I343-N345 PolarHBondContact O-N 2.81Å | ||
| 344 | L | 83.8 | Confident | 78.2 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 107.3 | 172.1 | -175.9 | 67.5 | 0 | 0 | 0 | 109.3 | K76 Y78 L232 R346 | K76-L344 WeakPolarHBondContact O-CD1 3.3Å; Y78-L344 HydrophobicContact CE1-CB 4.29Å; Y78-L344 HydrophobicContact CE2-CD1 4.3Å; L232-L344 HydrophobicContact CD1-CD1 4Å; L232-L344 HydrophobicContact CD1-CG 4.49Å; L232-L344 HydrophobicContact CD2-CD1 4.48Å; L232-L344 HydrophobicContact CD2-CD2 4.35Å; L232-L344 HydrophobicContact CD2-CG 4.16Å; L344-R346 PolarHBondContact O-N 2.97Å |
| 345 | N | 80.7 | Confident | 76.6 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | trans | -80.6 | 114.7 | -175.4 | -37.7 | -84.6 | 0 | 0 | 0 | 110.5 | G77 N79 L232 T233 N306 I343 | G77-N345 PolarHBondContact O-N 3.47Å; G77-N345 PolarHBondContact O-ND2 3.4Å; N79-N345 VanDerWaalsContact CG-ND2 3.31Å; N79-N345 PolarHBondContact ND2-ND2 3.19Å; N79-N345 PolarHBondContact ND2-OD1 2.75Å; N79-N345 PolarHBondContact OD1-ND2 2.62Å; N79-N345 VanDerWaalsContact OD1-ND2 3.08Å; L232-N345 CarbonylContact C-O 3.57Å; L232-N345 VanDerWaalsContact CA-O 3.29Å; L232-N345 WeakPolarHBondContact CA-O 3.42Å; T233-N345 PolarHBondContact N-O 3.27Å; T233-N345 WeakPolarHBondContact O-CB 3.4Å; T233-N345 PolarHBondContact O-ND2 2.86Å; T233-N345 WeakPolarHBondContact OG1-CB 3.37Å; N306-N345 PolarHBondContact ND2-OD1 3.17Å; I343-N345 PolarHBondContact O-N 2.81Å | ||
| 346 | R | 79.5 | Confident | 75.2 | Confident | 167 Ų | 167 | 79.8 Ų | 79.8 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -82.7 | 136.8 | 167.1 | -60.3 | 169.7 | -170.7 | -146.1 | 8.9 | 108.6 | D230 L232 L344 | D230-R346 HydrophobicContact CB-CB 4.44Å; D230-R346 HydrophobicContact CB-CG 4.13Å; D230-R346 VanDerWaalsContact OD2-CD 3.25Å; D230-R346 WeakPolarHBondContact OD2-CD 3.14Å; D230-R346 IonicContact OD2-CZ 2.84Å; D230-R346 IonicContact OD2-NE 3.24Å; D230-R346 IonicContact OD2-NH1 3.96Å; D230-R346 PolarHBondContact OD2-NH1 2.9Å; L232-R346 HydrophobicContact CD2-CG 3.96Å; L344-R346 PolarHBondContact O-N 2.97Å |
| 347 | A | 66.7 | Low | 74.3 | Confident | 17 Ų | 17 | 80.3 Ų | 80.3 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 143.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L215 T231 T233 | L215-A347 HydrophobicContact CD1-CB 4.47Å; T231-A347 HydrophobicContact CG2-CB 3.84Å; T231-A347 WeakPolarHBondContact O-CB 3.26Å; T231-A347 PolarHBondContact O-N 3.26Å; T233-A347 HydrophobicContact CG2-CB 4.09Å |
| 348 | D | 66.8 | Low | 73.3 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 129.3 | 167.4 | -167.9 | -44.9 | 0 | 0 | 0 | 107.7 | K350 D351 A352 | D348-K350 PolarHBondContact O-N 2.69Å; D348-K350 PolarHBondContact OD1-N 2.94Å; D348-K350 VanDerWaalsContact OD1-N 3.12Å; D348-D351 HydrophobicContact CB-CB 4.42Å; D348-D351 PolarHBondContact O-N 3.5Å; D348-A352 PolarHBondContact O-N 2.88Å; D348-A352 VanDerWaalsContact O-N 3.08Å |
| 349 | P | 57.7 | Low | 72.3 | Confident | 104 Ų | 104 | 88 Ų | 88 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -53.7 | -28.5 | -179.5 | 18.2 | -31.8 | 0 | 0 | 0 | 112.8 | E353 | P349-E353 WeakPolarHBondContact O-CB 3.34Å; P349-E353 PolarHBondContact O-N 2.69Å |
| 350 | K | 63.1 | Low | 71.4 | Confident | 154 Ų | 154 | 85.1 Ų | 85.1 | 67% | 0.67 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 173.3 | -66.3 | 173.9 | -177.8 | 168.2 | 0 | 113 | D348 E353 L354 | D348-K350 PolarHBondContact O-N 2.69Å; D348-K350 PolarHBondContact OD1-N 2.94Å; D348-K350 VanDerWaalsContact OD1-N 3.12Å; K350-E353 PolarHBondContact O-N 2.89Å; K350-L354 WeakPolarHBondContact O-CB 3.43Å; K350-L354 PolarHBondContact O-N 3.36Å |
| 351 | D | 59.3 | Low | 70.6 | Confident | 103 Ų | 103 | 88.3 Ų | 88.3 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.6 | -37.1 | 179.3 | -77.4 | -24.3 | 0 | 0 | 0 | 111 | D348 L354 A355 | D348-D351 HydrophobicContact CB-CB 4.42Å; D348-D351 PolarHBondContact O-N 3.5Å; D351-L354 PolarHBondContact O-N 3.19Å; D351-A355 WeakPolarHBondContact O-CB 3.39Å; D351-A355 PolarHBondContact O-N 2.67Å |
| 352 | A | 56.7 | Low | 69.6 | Low | 24 Ų | 24 | 85.4 Ų | 85.4 | 20% | 0.198 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T231 D348 A355 K356 | T231-A352 HydrophobicContact CG2-CB 4.37Å; D348-A352 PolarHBondContact O-N 2.88Å; D348-A352 VanDerWaalsContact O-N 3.08Å; A352-A355 PolarHBondContact O-N 3.12Å; A352-K356 PolarHBondContact O-N 3.02Å |
| 353 | E | 66.7 | Low | 68.5 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 176.2 | -174 | 162.2 | -146.3 | 0 | 0 | 112.4 | P349 K350 A355 K356 L357 | P349-E353 WeakPolarHBondContact O-CB 3.34Å; P349-E353 PolarHBondContact O-N 2.69Å; K350-E353 PolarHBondContact O-N 2.89Å; E353-A355 VanDerWaalsContact C-N 3.31Å; E353-A355 PolarHBondContact O-N 2.96Å; E353-K356 WeakPolarHBondContact O-CB 3.29Å; E353-K356 PolarHBondContact O-N 3.3Å; E353-L357 HydrophobicContact CG-CD1 4.27Å; E353-L357 WeakPolarHBondContact O-CG 3.32Å; E353-L357 PolarHBondContact O-N 3.33Å |
| 354 | L | 65.2 | Low | 67.7 | Low | 83 Ų | 83 | 90.4 Ų | 90.4 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 176 | -151.5 | 81 | 0 | 0 | 0 | 112 | K350 D351 R358 | K350-L354 WeakPolarHBondContact O-CB 3.43Å; K350-L354 PolarHBondContact O-N 3.36Å; D351-L354 PolarHBondContact O-N 3.19Å; L354-R358 WeakPolarHBondContact O-CG 3.5Å; L354-R358 PolarHBondContact O-N 3.32Å; L354-R358 VanDerWaalsContact O-N 3.08Å |
| 355 | A | 59 | Low | 67.1 | Low | 32 Ų | 32 | 93.1 Ų | 93.1 | 26% | 0.264 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L215 D351 A352 E353 L357 R358 V359 | L215-A355 HydrophobicContact CD2-CB 4.28Å; D351-A355 WeakPolarHBondContact O-CB 3.39Å; D351-A355 PolarHBondContact O-N 2.67Å; A352-A355 PolarHBondContact O-N 3.12Å; E353-A355 VanDerWaalsContact C-N 3.31Å; E353-A355 PolarHBondContact O-N 2.96Å; A355-L357 VanDerWaalsContact C-N 3.34Å; A355-L357 PolarHBondContact O-N 3.4Å; A355-R358 PolarHBondContact O-N 3.31Å; A355-V359 PolarHBondContact O-N 3.34Å; A355-V359 VanDerWaalsContact O-N 3.13Å |
| 356 | K | 63.7 | Low | 66.2 | Low | 160 Ų | 160 | 94.2 Ų | 94.2 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.4 | -46.7 | 174.7 | -175.9 | -179.6 | -179.4 | -179.8 | 0 | 111.5 | A352 E353 V359 L360 | A352-K356 PolarHBondContact O-N 3.02Å; E353-K356 WeakPolarHBondContact O-CB 3.29Å; E353-K356 PolarHBondContact O-N 3.3Å; K356-V359 PolarHBondContact O-N 2.98Å; K356-L360 WeakPolarHBondContact O-CB 3.49Å; K356-L360 PolarHBondContact O-N 2.66Å |
| 357 | L | 71.9 | Confident | 65.4 | Low | 89 Ų | 89 | 95 Ų | 95 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 177.3 | -72.1 | 169.8 | 0 | 0 | 0 | 112.5 | E353 A355 L360 V361 | E353-L357 HydrophobicContact CG-CD1 4.27Å; E353-L357 WeakPolarHBondContact O-CG 3.32Å; E353-L357 PolarHBondContact O-N 3.33Å; A355-L357 VanDerWaalsContact C-N 3.34Å; A355-L357 PolarHBondContact O-N 3.4Å; L357-L360 PolarHBondContact O-N 3.19Å; L357-V361 WeakPolarHBondContact O-CB 3.4Å; L357-V361 VanDerWaalsContact O-CG2 3.28Å; L357-V361 WeakPolarHBondContact O-CG2 3.44Å; L357-V361 PolarHBondContact O-N 3.49Å |
| 358 | R | 70.2 | Confident | 65.2 | Low | 173 Ų | 173 | 100.1 Ų | 100.1 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 178.4 | -76.5 | 175.3 | -179.6 | 176.7 | 2.1 | 113 | L354 A355 V361 A362 | L354-R358 WeakPolarHBondContact O-CG 3.5Å; L354-R358 PolarHBondContact O-N 3.32Å; L354-R358 VanDerWaalsContact O-N 3.08Å; A355-R358 PolarHBondContact O-N 3.31Å; R358-V361 PolarHBondContact O-N 3.45Å; R358-A362 PolarHBondContact O-N 3.4Å |
| 359 | V | 67.9 | Low | 64.9 | Low | 90 Ų | 90 | 101 Ų | 101 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | A355 K356 V361 A362 Q363 | A355-V359 PolarHBondContact O-N 3.34Å; A355-V359 VanDerWaalsContact O-N 3.13Å; K356-V359 PolarHBondContact O-N 2.98Å; V359-V361 PolarHBondContact O-N 3Å; V359-A362 PolarHBondContact O-N 3.47Å; V359-Q363 PolarHBondContact O-N 2.9Å |
| 360 | L | 70.7 | Confident | 64.3 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.4 | -160 | 92.2 | 0 | 0 | 0 | 111.6 | K356 L357 Q363 L364 | K356-L360 WeakPolarHBondContact O-CB 3.49Å; K356-L360 PolarHBondContact O-N 2.66Å; L357-L360 PolarHBondContact O-N 3.19Å; L360-Q363 PolarHBondContact O-N 2.65Å; L360-L364 HydrophobicContact CD2-CD1 3.95Å; L360-L364 HydrophobicContact CG-CD1 4.07Å; L360-L364 WeakPolarHBondContact O-CB 3.35Å; L360-L364 VanDerWaalsContact O-CG 3.23Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.17Å |
| 361 | V | 72.7 | Confident | 63 | Low | 71 Ų | 71 | 98 Ų | 98 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.4 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | L357 R358 V359 L364 Q365 | L357-V361 WeakPolarHBondContact O-CB 3.4Å; L357-V361 VanDerWaalsContact O-CG2 3.28Å; L357-V361 WeakPolarHBondContact O-CG2 3.44Å; L357-V361 PolarHBondContact O-N 3.49Å; R358-V361 PolarHBondContact O-N 3.45Å; V359-V361 PolarHBondContact O-N 3Å; V361-L364 PolarHBondContact O-N 2.96Å; V361-Q365 HydrophobicContact CG1-CG 4.31Å; V361-Q365 WeakPolarHBondContact O-CB 3.32Å; V361-Q365 VanDerWaalsContact O-CG 3.27Å; V361-Q365 WeakPolarHBondContact O-CG 3.29Å; V361-Q365 PolarHBondContact O-N 3.25Å |
| 362 | A | 66.3 | Low | 61.8 | Low | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R358 V359 Q365 A366 | R358-A362 PolarHBondContact O-N 3.4Å; V359-A362 PolarHBondContact O-N 3.47Å; A362-Q365 PolarHBondContact O-N 2.93Å; A362-A366 WeakPolarHBondContact O-CB 3.43Å; A362-A366 PolarHBondContact O-N 3.27Å |
| 363 | Q | 64.3 | Low | 60.5 | Low | 113 Ų | 113 | 102.2 Ų | 102.2 | 53% | 0.528 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -38.8 | 174.8 | -74.1 | -174.7 | -11.1 | 0 | 0 | 112.7 | V359 L360 R367 | V359-Q363 PolarHBondContact O-N 2.9Å; L360-Q363 PolarHBondContact O-N 2.65Å; Q363-R367 WeakPolarHBondContact O-CG 3.37Å; Q363-R367 PolarHBondContact O-N 3.12Å |
| 364 | L | 70.2 | Confident | 58.5 | Low | 84 Ų | 84 | 101.7 Ų | 101.7 | 44% | 0.44 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -41.1 | 176.4 | -73.6 | 169 | 0 | 0 | 0 | 111.5 | L360 V361 R367 L368 | L360-L364 HydrophobicContact CD2-CD1 3.95Å; L360-L364 HydrophobicContact CG-CD1 4.07Å; L360-L364 WeakPolarHBondContact O-CB 3.35Å; L360-L364 VanDerWaalsContact O-CG 3.23Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.17Å; V361-L364 PolarHBondContact O-N 2.96Å; L364-R367 PolarHBondContact O-N 3.47Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.2Å; L364-L368 PolarHBondContact O-N 3.29Å |
| 365 | Q | 70.4 | Confident | 56.8 | Low | 116 Ų | 116 | 107.9 Ų | 107.9 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.5 | -46.9 | 174.1 | -75.9 | 171.6 | -21.2 | 0 | 0 | 111.4 | V361 A362 R367 L368 T369 | V361-Q365 HydrophobicContact CG1-CG 4.31Å; V361-Q365 WeakPolarHBondContact O-CB 3.32Å; V361-Q365 VanDerWaalsContact O-CG 3.27Å; V361-Q365 WeakPolarHBondContact O-CG 3.29Å; V361-Q365 PolarHBondContact O-N 3.25Å; A362-Q365 PolarHBondContact O-N 2.93Å; Q365-R367 VanDerWaalsContact C-N 3.27Å; Q365-R367 PolarHBondContact O-N 3.38Å; Q365-L368 PolarHBondContact O-N 3.34Å; Q365-L368 VanDerWaalsContact O-N 3.14Å; Q365-T369 PolarHBondContact O-N 2.92Å; Q365-T369 PolarHBondContact O-OG1 3.37Å |
| 366 | A | 60.6 | Low | 55.3 | Low | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.7 | -30.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A362 T369 N370 | A362-A366 WeakPolarHBondContact O-CB 3.43Å; A362-A366 PolarHBondContact O-N 3.27Å; A366-T369 WeakPolarHBondContact CA-OG1 3.39Å; A366-T369 PolarHBondContact O-OG1 3.46Å; A366-N370 WeakPolarHBondContact O-CB 3.43Å; A366-N370 PolarHBondContact O-N 3Å; A366-N370 PolarHBondContact O-OD1 2.82Å |
| 367 | R | 63.3 | Low | 53.4 | Low | 185 Ų | 185 | 110.5 Ų | 110.5 | 70% | 0.698 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.5 | -36.7 | 172.3 | -77.6 | 178.1 | 172.8 | 178.7 | -0.9 | 112.7 | Q363 L364 Q365 N370 G371 | Q363-R367 WeakPolarHBondContact O-CG 3.37Å; Q363-R367 PolarHBondContact O-N 3.12Å; L364-R367 PolarHBondContact O-N 3.47Å; Q365-R367 VanDerWaalsContact C-N 3.27Å; Q365-R367 PolarHBondContact O-N 3.38Å; R367-N370 PolarHBondContact O-N 2.81Å; R367-G371 PolarHBondContact O-N 2.77Å |
| 368 | L | 63.2 | Low | 51.4 | Low | 123 Ų | 123 | 114.4 Ų | 114.4 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -40.7 | 177.4 | -72.4 | 167.9 | 0 | 0 | 0 | 111.9 | L364 Q365 N370 G371 S372 | L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.2Å; L364-L368 PolarHBondContact O-N 3.29Å; Q365-L368 PolarHBondContact O-N 3.34Å; Q365-L368 VanDerWaalsContact O-N 3.14Å; L368-N370 VanDerWaalsContact C-N 3.3Å; L368-N370 PolarHBondContact O-N 3.43Å; L368-G371 PolarHBondContact O-N 2.68Å; L368-S372 PolarHBondContact O-OG 3.01Å |
| 369 | T | 60 | Low | 49.3 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.7 | -37.2 | 174.1 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | Q365 A366 | Q365-T369 PolarHBondContact O-N 2.92Å; Q365-T369 PolarHBondContact O-OG1 3.37Å; A366-T369 WeakPolarHBondContact CA-OG1 3.39Å; A366-T369 PolarHBondContact O-OG1 3.46Å |
| 370 | N | 45.2 | Very low | 47.7 | Very low | 144 Ų | 144 | 112.4 Ų | 112.4 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -86.7 | -10.4 | -178.6 | -64.9 | 3.2 | 0 | 0 | 0 | 113.7 | A366 R367 L368 | A366-N370 WeakPolarHBondContact O-CB 3.43Å; A366-N370 PolarHBondContact O-N 3Å; A366-N370 PolarHBondContact O-OD1 2.82Å; R367-N370 PolarHBondContact O-N 2.81Å; L368-N370 VanDerWaalsContact C-N 3.3Å; L368-N370 PolarHBondContact O-N 3.43Å |
| 371 | G | 34.9 | Very low | 45.4 | Very low | 52 Ų | 52 | 114.1 Ų | 114.1 | 54% | 0.536 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.7 | 14.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R367 L368 S373 | R367-G371 PolarHBondContact O-N 2.77Å; L368-G371 PolarHBondContact O-N 2.68Å; G371-S373 VanDerWaalsContact C-N 3.29Å; G371-S373 PolarHBondContact O-N 3.29Å |
| 372 | S | 35.6 | Very low | 43.3 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -79.8 | 67.7 | -173.9 | -69.5 | 0 | 0 | 0 | 0 | 113.5 | L368 | L368-S372 PolarHBondContact O-OG 3.01Š| ||
| 373 | S | 29.5 | Very low | 41.2 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -141.8 | 120.6 | 157.9 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | G371 | G371-S373 VanDerWaalsContact C-N 3.29Å; G371-S373 PolarHBondContact O-N 3.29Å |
| 374 | C | 24.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | 61.7 | 106.4 | 168.3 | -161.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 375 | F | 29.6 | Very low | 37.2 | Very low | 214 Ų | 214 | 126.6 Ų | 126.6 | 94% | 0.939 | 73% | 0.725 | S | S | * | * | -149.9 | 140.6 | 127.8 | -94.2 | -68.8 | 0 | 0 | 0 | 110.3 | |||||
| 376 | P | 27.3 | Very low | 35.1 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | trans | -112.8 | 164.7 | -168.1 | 42 | -34.6 | 0 | 0 | 0 | 115.2 | ||||
| 377 | L | 23.6 | Very low | 33.4 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 62.5 | 124.7 | 153.9 | -65.3 | 155.7 | 0 | 0 | 0 | 119.3 | ||||
| 378 | L | 28.4 | Very low | 32.1 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | -162.8 | 124.7 | 101.3 | -125.8 | 81.3 | 0 | 0 | 0 | 114.4 | |||||
| 379 | S | 28 | Very low | 30.2 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 7.2 | 142.3 | 158.2 | -147.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 380 | P | 33.4 | Very low | 28.6 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -98.8 | 169.5 | 175 | 37.7 | -30.9 | 0 | 0 | 0 | 114.8 | ||||
| 381 | C | 23 | Very low | 27.6 | Very low | 126 Ų | 126 | 132 Ų | 132 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -147.4 | 157.1 | 173.2 | -95.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 382 | P | 27.2 | Very low | 27.3 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -107.4 | 157.3 | -134.4 | 1.7 | 20.1 | 0 | 0 | 0 | 117.1 | ||||
| 383 | K | 23.7 | Very low | 26.8 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 141.4 | 174.4 | -59.3 | 171 | -179.4 | 174.3 | 0 | 110.9 | D532 | K383-D532 IonicContact NZ-OD1 3.58Å; K383-D532 PolarHBondContact NZ-OD1 2.84Å | ||
| 384 | T | 25.9 | Very low | 27 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -123.3 | 150.7 | 167.1 | 7.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 385 | I | 23.7 | Very low | 27.2 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -104.3 | 131.8 | -161.2 | -63.1 | 157.2 | 0 | 0 | 0 | 111 | ||||
| 386 | I | 26.6 | Very low | 27.1 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -136.2 | 135.5 | 156.4 | -59.3 | -175.5 | 0 | 0 | 0 | 109.8 | ||||
| 387 | K | 24 | Very low | 27.2 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | trans | -90.9 | 159.9 | -174.7 | -76.2 | 177.5 | 175.8 | 176.7 | 0 | 113 | ||||
| 388 | P | 37.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -88.3 | 155.6 | 179.5 | 36 | -35.6 | 0 | 0 | 0 | 113.4 | ||||
| 389 | L | 23.5 | Very low | 28.2 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 116.8 | 168.2 | -97.4 | 133.3 | 0 | 0 | 0 | 113.1 | ||||
| 390 | S | 25.2 | Very low | 28.6 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | 39.1 | 130.5 | 140.6 | 58.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 391 | A | 24.6 | Very low | 29.3 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -52.8 | 157.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 392 | T | 28.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 139 Ų | 139 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -137.7 | 132.2 | 160.9 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 393 | T | 25.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -44.8 | 137.2 | 176.6 | -50.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 394 | I | 32.4 | Very low | 32 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -115.2 | 134.1 | 154.2 | -65.1 | -178.1 | 0 | 0 | 0 | 107.9 | ||||
| 395 | N | 30.1 | Very low | 33.5 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -89.2 | 160 | -156.6 | -140.3 | -3.8 | 0 | 0 | 0 | 113.7 | ||||
| 396 | N | 27.8 | Very low | 35.4 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -65 | 148 | 171.4 | -67.7 | -39.2 | 0 | 0 | 0 | 111.8 | ||||
| 397 | N | 29.1 | Very low | 37.4 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | 168.7 | 120.5 | 130.8 | -86.6 | -8.9 | 0 | 0 | 0 | 111.9 | ||||
| 398 | S | 34.7 | Very low | 39.3 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | trans | 170 | 120.1 | 139.8 | -86.2 | 0 | 0 | 0 | 0 | 109.8 | R1025 | S398-R1025 PolarHBondContact OG-NH2 3.12Š| ||
| 399 | T | 38.6 | Very low | 40.9 | Very low | 139 Ų | 139 | 121 Ų | 121 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | trans | -79.1 | 116.9 | -177.6 | 37.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 400 | N | 35.1 | Very low | 43.2 | Very low | 171 Ų | 171 | 117.2 Ų | 117.2 | 91% | 0.914 | 67% | 0.67 | S | S | * | * | trans | -167 | 23.1 | 158.2 | -107.8 | -19.3 | 0 | 0 | 0 | 114.4 | ||||
| 401 | S | 48.8 | Very low | 45.3 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | trans | -105.9 | 10.4 | -168.6 | -166.2 | 0 | 0 | 0 | 0 | 115.7 | F403 S404 S405 | S401-F403 PolarHBondContact O-N 3.08Å; S401-S404 PolarHBondContact O-OG 3.02Å; S401-S404 VanDerWaalsContact O-OG 3.05Å; S401-S404 PolarHBondContact OG-OG 3.37Å; S401-S404 VanDerWaalsContact OG-OG 3.14Å; S401-S405 WeakPolarHBondContact O-CB 3.13Å; S401-S405 PolarHBondContact O-N 3.07Å; S401-S405 VanDerWaalsContact O-N 3.15Å | ||
| 402 | Q | 42 | Very low | 47.6 | Very low | 174 Ų | 174 | 115 Ų | 115 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -40.9 | -173.2 | -75.9 | 179.6 | -17 | 0 | 0 | 113 | S404 S405 E406 | Q402-S404 PolarHBondContact O-N 2.84Å; Q402-S405 PolarHBondContact O-N 3.49Å; Q402-E406 PolarHBondContact O-N 2.99Å |
| 403 | F | 38.9 | Very low | 49.9 | Very low | 198 Ų | 198 | 113 Ų | 113 | 87% | 0.868 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.9 | -31.5 | -176.3 | -147 | -88.7 | 0 | 0 | 0 | 113.7 | S401 | S401-F403 PolarHBondContact O-N 3.08Å |
| 404 | S | 50.7 | Low | 52.3 | Low | 65 Ų | 65 | 114.3 Ų | 114.3 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.8 | -33.1 | 173.7 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | S401 Q402 L407 V408 | S401-S404 PolarHBondContact O-OG 3.02Å; S401-S404 VanDerWaalsContact O-OG 3.05Å; S401-S404 PolarHBondContact OG-OG 3.37Å; S401-S404 VanDerWaalsContact OG-OG 3.14Å; Q402-S404 PolarHBondContact O-N 2.84Å; S404-L407 PolarHBondContact O-N 3Å; S404-V408 VanDerWaalsContact O-CG2 3.32Å; S404-V408 WeakPolarHBondContact O-CG2 3.23Å; S404-V408 PolarHBondContact O-N 2.95Å; S404-V408 VanDerWaalsContact O-N 3.16Å |
| 405 | S | 57.2 | Low | 53.9 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 43% | 0.434 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.4 | -45 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | S401 Q402 L407 V408 T409 | S401-S405 WeakPolarHBondContact O-CB 3.13Å; S401-S405 PolarHBondContact O-N 3.07Å; S401-S405 VanDerWaalsContact O-N 3.15Å; Q402-S405 PolarHBondContact O-N 3.49Å; S405-L407 VanDerWaalsContact C-N 3.34Å; S405-L407 PolarHBondContact O-N 2.8Å; S405-V408 PolarHBondContact O-N 2.94Å; S405-T409 WeakPolarHBondContact O-CG2 3.41Å; S405-T409 PolarHBondContact O-N 2.93Å; S405-T409 PolarHBondContact O-OG1 3.13Å |
| 406 | E | 63.7 | Low | 56.3 | Low | 124 Ų | 124 | 110.9 Ų | 110.9 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.5 | -39.2 | -179.3 | -164 | 64.3 | -140.2 | 0 | 0 | 112.5 | Q402 T409 N410 | Q402-E406 PolarHBondContact O-N 2.99Å; E406-T409 WeakPolarHBondContact CA-OG1 3.47Å; E406-T409 PolarHBondContact O-OG1 3.13Å; E406-N410 WeakPolarHBondContact O-CB 3.42Å; E406-N410 PolarHBondContact O-N 3.45Å; E406-N410 VanDerWaalsContact O-N 3.13Å; E406-N410 PolarHBondContact O-ND2 3Å; E406-N410 PolarHBondContact OE1-ND2 3.03Å |
| 407 | L | 67 | Low | 58.8 | Low | 104 Ų | 104 | 111.8 Ų | 111.8 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.2 | -43.5 | 177.5 | -160.5 | 83.4 | 0 | 0 | 0 | 111.3 | S404 S405 N410 L411 | S404-L407 PolarHBondContact O-N 3Å; S405-L407 VanDerWaalsContact C-N 3.34Å; S405-L407 PolarHBondContact O-N 2.8Å; L407-N410 PolarHBondContact O-N 2.95Å; L407-L411 WeakPolarHBondContact O-CG 3.35Å; L407-L411 PolarHBondContact O-N 3.16Å |
| 408 | V | 65.3 | Low | 61 | Low | 68 Ų | 68 | 108.6 Ų | 108.6 | 41% | 0.412 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.3 | -41.3 | 179.2 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | S404 S405 L411 M412 | S404-V408 VanDerWaalsContact O-CG2 3.32Å; S404-V408 WeakPolarHBondContact O-CG2 3.23Å; S404-V408 PolarHBondContact O-N 2.95Å; S404-V408 VanDerWaalsContact O-N 3.16Å; S405-V408 PolarHBondContact O-N 2.94Å; V408-L411 PolarHBondContact O-N 3.41Å; V408-M412 HydrophobicContact CG1-CE 3.88Å; V408-M412 HydrophobicContact CG1-CG 4.46Å; V408-M412 HydrophobicContact CG1-SD 4.25Å; V408-M412 WeakPolarHBondContact O-CB 3.39Å; V408-M412 VanDerWaalsContact O-CG 3.3Å; V408-M412 WeakPolarHBondContact O-CG 3.26Å; V408-M412 PolarHBondContact O-N 3.41Å |
| 409 | T | 69.5 | Low | 62.9 | Low | 55 Ų | 55 | 109.5 Ų | 109.5 | 34% | 0.337 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.2 | -39.4 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 112 | S405 E406 M412 N413 | S405-T409 WeakPolarHBondContact O-CG2 3.41Å; S405-T409 PolarHBondContact O-N 2.93Å; S405-T409 PolarHBondContact O-OG1 3.13Å; E406-T409 WeakPolarHBondContact CA-OG1 3.47Å; E406-T409 PolarHBondContact O-OG1 3.13Å; T409-M412 PolarHBondContact O-N 3.15Å; T409-N413 WeakPolarHBondContact O-CB 3.33Å; T409-N413 VanDerWaalsContact O-CG 3.32Å; T409-N413 PolarHBondContact O-N 2.91Å; T409-N413 PolarHBondContact O-ND2 3.05Å |
| 410 | N | 72.8 | Confident | 64.8 | Low | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 174.6 | -82 | -63.7 | 0 | 0 | 0 | 112.7 | E406 L407 N413 K414 | E406-N410 WeakPolarHBondContact O-CB 3.42Å; E406-N410 PolarHBondContact O-N 3.45Å; E406-N410 VanDerWaalsContact O-N 3.13Å; E406-N410 PolarHBondContact O-ND2 3Å; E406-N410 PolarHBondContact OE1-ND2 3.03Å; L407-N410 PolarHBondContact O-N 2.95Å; N410-N413 PolarHBondContact O-N 3.03Å; N410-K414 PolarHBondContact O-N 3.41Å |
| 411 | L | 69.4 | Low | 67 | Low | 41 Ų | 41 | 103.5 Ų | 103.5 | 22% | 0.215 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65 | -43 | 172.1 | -76.4 | 167.4 | 0 | 0 | 0 | 112 | L407 V408 N413 K414 N415 L1003 L1010 | L407-L411 WeakPolarHBondContact O-CG 3.35Å; L407-L411 PolarHBondContact O-N 3.16Å; V408-L411 PolarHBondContact O-N 3.41Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 3Å; L411-K414 PolarHBondContact O-N 3.46Å; L411-N415 PolarHBondContact O-N 2.9Å; L411-L1003 HydrophobicContact CD2-CD2 4.47Å; L411-L1010 HydrophobicContact CD1-CD1 4.46Å |
| 412 | M | 71.7 | Confident | 68.3 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 174 | -76.1 | -178.2 | 174.1 | 0 | 0 | 112.4 | V408 T409 N415 R416 | V408-M412 HydrophobicContact CG1-CE 3.88Å; V408-M412 HydrophobicContact CG1-CG 4.46Å; V408-M412 HydrophobicContact CG1-SD 4.25Å; V408-M412 WeakPolarHBondContact O-CB 3.39Å; V408-M412 VanDerWaalsContact O-CG 3.3Å; V408-M412 WeakPolarHBondContact O-CG 3.26Å; V408-M412 PolarHBondContact O-N 3.41Å; T409-M412 PolarHBondContact O-N 3.15Å; M412-N415 PolarHBondContact O-N 3.38Å; M412-R416 WeakPolarHBondContact O-CB 3.05Å; M412-R416 PolarHBondContact O-N 3.05Å |
| 413 | N | 77.5 | Confident | 70.3 | Confident | 86 Ų | 86 | 104 Ų | 104 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -36 | 176 | -75.7 | -26.7 | 0 | 0 | 0 | 112.4 | T409 N410 L411 K417 | T409-N413 WeakPolarHBondContact O-CB 3.33Å; T409-N413 VanDerWaalsContact O-CG 3.32Å; T409-N413 PolarHBondContact O-N 2.91Å; T409-N413 PolarHBondContact O-ND2 3.05Å; N410-N413 PolarHBondContact O-N 3.03Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 3Å; N413-K417 PolarHBondContact O-N 3.12Å; N413-K417 VanDerWaalsContact O-N 3.17Å |
| 414 | K | 76.1 | Confident | 72.3 | Confident | 146 Ų | 146 | 100.7 Ų | 100.7 | 64% | 0.635 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -47.8 | 170.1 | -85.4 | -176.3 | 174 | -179.8 | 0 | 111.9 | N410 L411 R416 K417 L418 | N410-K414 PolarHBondContact O-N 3.41Å; L411-K414 PolarHBondContact O-N 3.46Å; K414-R416 VanDerWaalsContact C-N 3.32Å; K414-R416 PolarHBondContact O-N 3.26Å; K414-K417 PolarHBondContact O-N 3.4Å; K414-K417 VanDerWaalsContact O-N 3.15Å; K414-L418 PolarHBondContact O-N 3.05Å |
| 415 | N | 65.5 | Low | 73.3 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.9 | -46 | 175.7 | -96.5 | 9.3 | 0 | 0 | 0 | 111.3 | L411 M412 K417 L418 E419 | L411-N415 PolarHBondContact O-N 2.9Å; M412-N415 PolarHBondContact O-N 3.38Å; N415-K417 VanDerWaalsContact C-N 3.27Å; N415-K417 PolarHBondContact O-N 3.26Å; N415-L418 PolarHBondContact O-N 3.34Å; N415-L418 VanDerWaalsContact O-N 3.15Å; N415-E419 WeakPolarHBondContact O-CB 3.46Å; N415-E419 WeakPolarHBondContact O-CG 3.46Å; N415-E419 PolarHBondContact O-N 3.02Å |
| 416 | R | 80.5 | Confident | 74.2 | Confident | 166 Ų | 166 | 101.2 Ų | 101.2 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -32.1 | 179.5 | -160.1 | -179.2 | -65.6 | 172.5 | 0.3 | 112.9 | M412 K414 S420 | M412-R416 WeakPolarHBondContact O-CB 3.05Å; M412-R416 PolarHBondContact O-N 3.05Å; K414-R416 VanDerWaalsContact C-N 3.32Å; K414-R416 PolarHBondContact O-N 3.26Å; R416-S420 PolarHBondContact O-N 2.81Å |
| 417 | K | 80.4 | Confident | 75 | Confident | 156 Ų | 156 | 97.9 Ų | 97.9 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.6 | -49.4 | 171 | -78 | -175.4 | 175.5 | -176.1 | 0 | 111.8 | N413 K414 N415 E419 S420 E421 | N413-K417 PolarHBondContact O-N 3.12Å; N413-K417 VanDerWaalsContact O-N 3.17Å; K414-K417 PolarHBondContact O-N 3.4Å; K414-K417 VanDerWaalsContact O-N 3.15Å; N415-K417 VanDerWaalsContact C-N 3.27Å; N415-K417 PolarHBondContact O-N 3.26Å; K417-E419 VanDerWaalsContact C-N 3.31Å; K417-E419 PolarHBondContact O-N 3.35Å; K417-S420 PolarHBondContact O-N 3.02Å; K417-S420 PolarHBondContact O-OG 3.47Å; K417-E421 PolarHBondContact O-N 3.06Å |
| 418 | L | 76.3 | Confident | 75.5 | Confident | 77 Ų | 77 | 98.5 Ų | 98.5 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 178.1 | -71.5 | 168.7 | 0 | 0 | 0 | 112.4 | K414 N415 S420 E421 K422 | K414-L418 PolarHBondContact O-N 3.05Å; N415-L418 PolarHBondContact O-N 3.34Å; N415-L418 VanDerWaalsContact O-N 3.15Å; L418-S420 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 2.8Å; L418-K422 VanDerWaalsContact O-CB 3.28Å; L418-K422 WeakPolarHBondContact O-CB 3.43Å; L418-K422 PolarHBondContact O-N 3.5Å |
| 419 | E | 73.2 | Confident | 75.9 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 171.3 | -75.3 | 175.9 | 160.3 | 0 | 0 | 112 | N415 K417 L423 | N415-E419 WeakPolarHBondContact O-CB 3.46Å; N415-E419 WeakPolarHBondContact O-CG 3.46Å; N415-E419 PolarHBondContact O-N 3.02Å; K417-E419 VanDerWaalsContact C-N 3.31Å; K417-E419 PolarHBondContact O-N 3.35Å; E419-L423 WeakPolarHBondContact O-CB 3.26Å; E419-L423 PolarHBondContact O-N 3.48Å |
| 420 | S | 80.1 | Confident | 76.1 | Confident | 71 Ų | 71 | 102.8 Ų | 102.8 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70 | -35.3 | 176.4 | 73.4 | 0 | 0 | 0 | 0 | 113.2 | R416 K417 L418 L423 L424 | R416-S420 PolarHBondContact O-N 2.81Å; K417-S420 PolarHBondContact O-N 3.02Å; K417-S420 PolarHBondContact O-OG 3.47Å; L418-S420 VanDerWaalsContact C-N 3.34Å; S420-L423 PolarHBondContact O-N 3.36Å; S420-L424 PolarHBondContact O-N 3.43Å; S420-L424 VanDerWaalsContact O-N 3.09Å |
| 421 | E | 81 | Confident | 76.2 | Confident | 114 Ų | 114 | 104.6 Ų | 104.6 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.6 | -44 | 174.9 | -174.6 | 174 | -176.3 | 0 | 0 | 111.2 | K417 L418 L423 L424 L425 | K417-E421 PolarHBondContact O-N 3.06Å; L418-E421 PolarHBondContact O-N 2.8Å; E421-L423 VanDerWaalsContact C-N 3.29Å; E421-L423 PolarHBondContact O-N 3.19Å; E421-L424 WeakPolarHBondContact O-CB 3.44Å; E421-L424 PolarHBondContact O-N 2.84Å; E421-L424 VanDerWaalsContact O-N 3.11Å; E421-L425 HydrophobicContact CG-CD1 4.35Å; E421-L425 WeakPolarHBondContact O-CG 3.32Å; E421-L425 PolarHBondContact O-N 2.94Å |
| 422 | K | 76.2 | Confident | 75.7 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.4 | -42.6 | 170.7 | 178 | 179.2 | 177.6 | 177 | 0 | 111.9 | L418 L424 L425 C426 | L418-K422 VanDerWaalsContact O-CB 3.28Å; L418-K422 WeakPolarHBondContact O-CB 3.43Å; L418-K422 PolarHBondContact O-N 3.5Å; K422-L424 VanDerWaalsContact C-N 3.31Å; K422-L424 PolarHBondContact O-N 2.81Å; K422-L425 PolarHBondContact O-N 2.8Å; K422-C426 WeakPolarHBondContact O-CB 3.43Å; K422-C426 PolarHBondContact O-N 3.26Å; K422-C426 PolarHBondContact O-SG 2.96Å |
| 423 | L | 82.4 | Confident | 75.8 | Confident | 130 Ų | 130 | 104.1 Ų | 104.1 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -36 | 177.6 | -166.3 | 72.3 | 0 | 0 | 0 | 111.9 | E419 S420 E421 A427 | E419-L423 WeakPolarHBondContact O-CB 3.26Å; E419-L423 PolarHBondContact O-N 3.48Å; S420-L423 PolarHBondContact O-N 3.36Å; E421-L423 VanDerWaalsContact C-N 3.29Å; E421-L423 PolarHBondContact O-N 3.19Å; L423-A427 PolarHBondContact O-N 3.23Å; L423-A427 VanDerWaalsContact O-N 3.13Å |
| 424 | L | 82.5 | Confident | 75.4 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -47.9 | 174.9 | -156 | 83.8 | 0 | 0 | 0 | 111.3 | S420 E421 K422 C426 A427 E428 | S420-L424 PolarHBondContact O-N 3.43Å; S420-L424 VanDerWaalsContact O-N 3.09Å; E421-L424 WeakPolarHBondContact O-CB 3.44Å; E421-L424 PolarHBondContact O-N 2.84Å; E421-L424 VanDerWaalsContact O-N 3.11Å; K422-L424 VanDerWaalsContact C-N 3.31Å; K422-L424 PolarHBondContact O-N 2.81Å; L424-C426 VanDerWaalsContact C-N 3.34Å; L424-C426 PolarHBondContact O-N 3.23Å; L424-A427 PolarHBondContact O-N 3.41Å; L424-A427 VanDerWaalsContact O-N 3.13Å; L424-E428 PolarHBondContact O-N 3.46Å |
| 425 | L | 71.9 | Confident | 75 | Confident | 80 Ų | 80 | 106.6 Ų | 106.6 | 42% | 0.419 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 177 | -71.8 | 166.8 | 0 | 0 | 0 | 112.4 | E421 K422 E428 L429 | E421-L425 HydrophobicContact CG-CD1 4.35Å; E421-L425 WeakPolarHBondContact O-CG 3.32Å; E421-L425 PolarHBondContact O-N 2.94Å; K422-L425 PolarHBondContact O-N 2.8Å; L425-E428 PolarHBondContact O-N 2.87Å; L425-L429 WeakPolarHBondContact O-CB 3.41Å; L425-L429 PolarHBondContact O-N 2.89Å |
| 426 | C | 75.2 | Confident | 74.5 | Confident | 57 Ų | 57 | 107.7 Ų | 107.7 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 171.7 | -74.1 | 0 | 0 | 0 | 0 | 111.9 | K422 L424 E428 L429 D430 | K422-C426 WeakPolarHBondContact O-CB 3.43Å; K422-C426 PolarHBondContact O-N 3.26Å; K422-C426 PolarHBondContact O-SG 2.96Å; L424-C426 VanDerWaalsContact C-N 3.34Å; L424-C426 PolarHBondContact O-N 3.23Å; C426-E428 VanDerWaalsContact C-N 3.32Å; C426-E428 PolarHBondContact O-N 3.26Å; C426-L429 WeakPolarHBondContact O-CB 3.47Å; C426-L429 PolarHBondContact O-N 3.02Å; C426-D430 VanDerWaalsContact O-CG 3.28Å; C426-D430 PolarHBondContact O-N 3.38Å |
| 427 | A | 80.9 | Confident | 73.6 | Confident | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.2 | -29.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L423 L424 Q431 | L423-A427 PolarHBondContact O-N 3.23Å; L423-A427 VanDerWaalsContact O-N 3.13Å; L424-A427 PolarHBondContact O-N 3.41Å; L424-A427 VanDerWaalsContact O-N 3.13Å; A427-Q431 PolarHBondContact O-N 2.58Å; A427-Q431 VanDerWaalsContact O-N 3.14Å |
| 428 | E | 76.4 | Confident | 72.5 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.5 | -40.2 | 172.8 | -171.1 | 168.7 | -155.2 | 0 | 0 | 111.7 | L424 L425 C426 Q431 T432 | L424-E428 PolarHBondContact O-N 3.46Å; L425-E428 PolarHBondContact O-N 2.87Å; C426-E428 VanDerWaalsContact C-N 3.32Å; C426-E428 PolarHBondContact O-N 3.26Å; E428-Q431 PolarHBondContact O-N 3.08Å; E428-T432 PolarHBondContact O-N 2.98Å; E428-T432 PolarHBondContact O-OG1 3.45Å |
| 429 | L | 73.7 | Confident | 71.4 | Confident | 108 Ų | 108 | 104.6 Ų | 104.6 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -45.9 | 170.6 | -180 | 63.6 | 0 | 0 | 0 | 111.5 | L425 C426 Q431 T432 V433 | L425-L429 WeakPolarHBondContact O-CB 3.41Å; L425-L429 PolarHBondContact O-N 2.89Å; C426-L429 WeakPolarHBondContact O-CB 3.47Å; C426-L429 PolarHBondContact O-N 3.02Å; L429-Q431 PolarHBondContact O-N 3.13Å; L429-T432 WeakPolarHBondContact O-CB 3.45Å; L429-T432 PolarHBondContact O-N 3.45Å; L429-V433 WeakPolarHBondContact O-CG2 3.32Å; L429-V433 PolarHBondContact O-N 3.05Å |
| 430 | D | 74.8 | Confident | 70.5 | Confident | 106 Ų | 106 | 105.8 Ų | 105.8 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 177 | -70.9 | -24.3 | 0 | 0 | 0 | 111.5 | C426 T432 V433 E434 | C426-D430 VanDerWaalsContact O-CG 3.28Å; C426-D430 PolarHBondContact O-N 3.38Å; D430-T432 VanDerWaalsContact C-N 3.28Å; D430-T432 PolarHBondContact O-N 2.67Å; D430-V433 PolarHBondContact O-N 3.08Å; D430-E434 PolarHBondContact O-N 2.76Å |
| 431 | Q | 74.7 | Confident | 68.8 | Low | 121 Ų | 121 | 111.4 Ų | 111.4 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -34.5 | 173.5 | -84.3 | -170 | 10.3 | 0 | 0 | 113.3 | A427 E428 L429 E434 K435 | A427-Q431 PolarHBondContact O-N 2.58Å; A427-Q431 VanDerWaalsContact O-N 3.14Å; E428-Q431 PolarHBondContact O-N 3.08Å; L429-Q431 PolarHBondContact O-N 3.13Å; Q431-E434 PolarHBondContact O-N 3.19Å; Q431-K435 PolarHBondContact O-N 3.2Å |
| 432 | T | 59.3 | Low | 67.1 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.1 | -39.3 | 179 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | E428 L429 D430 K435 M436 | E428-T432 PolarHBondContact O-N 2.98Å; E428-T432 PolarHBondContact O-OG1 3.45Å; L429-T432 WeakPolarHBondContact O-CB 3.45Å; L429-T432 PolarHBondContact O-N 3.45Å; D430-T432 VanDerWaalsContact C-N 3.28Å; D430-T432 PolarHBondContact O-N 2.67Å; T432-K435 PolarHBondContact O-N 2.96Å; T432-M436 PolarHBondContact O-N 3.37Å; T432-M436 VanDerWaalsContact O-N 3.07Å |
| 433 | V | 73.2 | Confident | 65.9 | Low | 60 Ų | 60 | 110.2 Ų | 110.2 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.4 | -40.6 | 171.8 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L429 D430 M436 N437 | L429-V433 WeakPolarHBondContact O-CG2 3.32Å; L429-V433 PolarHBondContact O-N 3.05Å; D430-V433 PolarHBondContact O-N 3.08Å; V433-M436 WeakPolarHBondContact O-CB 3.49Å; V433-M436 PolarHBondContact O-N 3.42Å; V433-M436 VanDerWaalsContact O-N 3.14Å; V433-N437 PolarHBondContact O-N 3.09Å; V433-N437 PolarHBondContact O-ND2 2.91Å |
| 434 | E | 69.5 | Low | 64.4 | Low | 141 Ų | 141 | 110 Ų | 110 | 66% | 0.659 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 175.7 | -113.5 | 178.5 | 178.1 | 0 | 0 | 111.8 | D430 Q431 M436 N437 E438 | D430-E434 PolarHBondContact O-N 2.76Å; Q431-E434 PolarHBondContact O-N 3.19Å; E434-M436 VanDerWaalsContact C-N 3.31Å; E434-M436 PolarHBondContact O-N 3.27Å; E434-N437 PolarHBondContact O-N 2.57Å; E434-E438 PolarHBondContact O-N 3.02Å |
| 435 | K | 66.8 | Low | 62.6 | Low | 144 Ų | 144 | 108.1 Ų | 108.1 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.5 | -39 | 172.1 | -83.3 | -176.7 | 171.8 | -177.2 | 0 | 112.8 | Q431 T432 E438 L439 | Q431-K435 PolarHBondContact O-N 3.2Å; T432-K435 PolarHBondContact O-N 2.96Å; K435-E438 WeakPolarHBondContact O-CB 3.48Å; K435-E438 PolarHBondContact O-N 3.4Å; K435-L439 PolarHBondContact O-N 3.49Å |
| 436 | M | 55.2 | Low | 61.6 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.3 | -146.7 | -155.9 | -37.6 | 0 | 0 | 111.2 | T432 V433 E434 E438 L439 Y440 | T432-M436 PolarHBondContact O-N 3.37Å; T432-M436 VanDerWaalsContact O-N 3.07Å; V433-M436 WeakPolarHBondContact O-CB 3.49Å; V433-M436 PolarHBondContact O-N 3.42Å; V433-M436 VanDerWaalsContact O-N 3.14Å; E434-M436 VanDerWaalsContact C-N 3.31Å; E434-M436 PolarHBondContact O-N 3.27Å; M436-E438 VanDerWaalsContact C-N 3.27Å; M436-E438 PolarHBondContact O-N 2.78Å; M436-L439 WeakPolarHBondContact O-CB 3.42Å; M436-L439 PolarHBondContact O-N 2.96Å; M436-Y440 HydrophobicContact CG-CD2 4.48Å; M436-Y440 HydrophobicContact CG-CE2 4.16Å; M436-Y440 WeakPolarHBondContact O-CD2 3.45Å; M436-Y440 PolarHBondContact O-N 3.19Å; M436-Y440 HydrophobicContact SD-CE2 3.85Å |
| 437 | N | 62.7 | Low | 60.6 | Low | 90 Ų | 90 | 107.9 Ų | 107.9 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -30.7 | 174.4 | -70.1 | -29.5 | 0 | 0 | 0 | 112.6 | V433 E434 Y440 R441 | V433-N437 PolarHBondContact O-N 3.09Å; V433-N437 PolarHBondContact O-ND2 2.91Å; E434-N437 PolarHBondContact O-N 2.57Å; N437-Y440 PolarHBondContact O-N 2.97Å; N437-R441 PolarHBondContact O-N 2.81Å |
| 438 | E | 57.7 | Low | 59.4 | Low | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -41.4 | 173.4 | -148.3 | 161.6 | -140.8 | 0 | 0 | 111 | E434 K435 M436 R441 N442 | E434-E438 PolarHBondContact O-N 3.02Å; K435-E438 WeakPolarHBondContact O-CB 3.48Å; K435-E438 PolarHBondContact O-N 3.4Å; M436-E438 VanDerWaalsContact C-N 3.27Å; M436-E438 PolarHBondContact O-N 2.78Å; E438-R441 WeakPolarHBondContact O-CB 3.49Å; E438-R441 PolarHBondContact O-N 2.84Å; E438-N442 PolarHBondContact O-N 2.87Å; E438-N442 VanDerWaalsContact O-N 3.16Å; E438-N442 PolarHBondContact O-OD1 3.42Å |
| 439 | L | 51.9 | Low | 58.5 | Low | 117 Ų | 117 | 109 Ų | 109 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 170.7 | -65.9 | 172.5 | 0 | 0 | 0 | 112.7 | K435 M436 R441 N442 N443 | K435-L439 PolarHBondContact O-N 3.49Å; M436-L439 WeakPolarHBondContact O-CB 3.42Å; M436-L439 PolarHBondContact O-N 2.96Å; L439-R441 VanDerWaalsContact C-N 3.31Å; L439-R441 PolarHBondContact O-N 3.32Å; L439-N442 PolarHBondContact O-N 2.88Å; L439-N443 PolarHBondContact O-N 2.9Å |
| 440 | Y | 53.8 | Low | 57.6 | Low | 150 Ų | 150 | 107.9 Ų | 107.9 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -34 | 172.3 | -82.3 | -68.7 | 0 | 0 | 0 | 112.8 | M436 N437 N443 F444 | M436-Y440 HydrophobicContact CG-CD2 4.48Å; M436-Y440 HydrophobicContact CG-CE2 4.16Å; M436-Y440 WeakPolarHBondContact O-CD2 3.45Å; M436-Y440 PolarHBondContact O-N 3.19Å; M436-Y440 HydrophobicContact SD-CE2 3.85Å; N437-Y440 PolarHBondContact O-N 2.97Å; Y440-N443 WeakPolarHBondContact O-CB 3.41Å; Y440-N443 PolarHBondContact O-N 2.95Å; Y440-F444 PolarHBondContact O-N 3.46Å |
| 441 | R | 45 | Very low | 57.2 | Low | 188 Ų | 188 | 107.5 Ų | 107.5 | 71% | 0.709 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -35.8 | 172.4 | -86.9 | -172.1 | 176.1 | 146.4 | 1.6 | 113.1 | N437 E438 L439 N443 F444 | N437-R441 PolarHBondContact O-N 2.81Å; E438-R441 WeakPolarHBondContact O-CB 3.49Å; E438-R441 PolarHBondContact O-N 2.84Å; L439-R441 VanDerWaalsContact C-N 3.31Å; L439-R441 PolarHBondContact O-N 3.32Å; R441-N443 PolarHBondContact O-N 3.06Å; R441-F444 WeakPolarHBondContact O-CA 3.49Å; R441-F444 VanDerWaalsContact O-CB 3.27Å; R441-F444 WeakPolarHBondContact O-CB 3.5Å; R441-F444 PolarHBondContact O-N 3.04Å |
| 442 | N | 45 | Very low | 57 | Low | 103 Ų | 103 | 105.4 Ų | 105.4 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -24.1 | 176.1 | -61.9 | -8.8 | 0 | 0 | 0 | 111.9 | E438 L439 F444 | E438-N442 PolarHBondContact O-N 2.87Å; E438-N442 VanDerWaalsContact O-N 3.16Å; E438-N442 PolarHBondContact O-OD1 3.42Å; L439-N442 PolarHBondContact O-N 2.88Å; N442-F444 VanDerWaalsContact C-N 3.35Å |
| 443 | N | 51.3 | Low | 57.3 | Low | 119 Ų | 119 | 104.7 Ų | 104.7 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.3 | -24.6 | 168.1 | -93.4 | -25.5 | 0 | 0 | 0 | 113.3 | L439 Y440 R441 D445 A446 | L439-N443 PolarHBondContact O-N 2.9Å; Y440-N443 WeakPolarHBondContact O-CB 3.41Å; Y440-N443 PolarHBondContact O-N 2.95Å; R441-N443 PolarHBondContact O-N 3.06Å; N443-D445 VanDerWaalsContact C-N 3.28Å; N443-D445 PolarHBondContact O-N 3Å; N443-A446 VanDerWaalsContact O-CB 3.28Å; N443-A446 WeakPolarHBondContact O-CB 3.37Å; N443-A446 PolarHBondContact O-N 3.31Å |
| 444 | F | 51.9 | Low | 57.1 | Low | 124 Ų | 124 | 104.5 Ų | 104.5 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.8 | -20.3 | 177.2 | 172.5 | -95.1 | 0 | 0 | 0 | 112.5 | Y440 R441 N442 A446 D447 | Y440-F444 PolarHBondContact O-N 3.46Å; R441-F444 WeakPolarHBondContact O-CA 3.49Å; R441-F444 VanDerWaalsContact O-CB 3.27Å; R441-F444 WeakPolarHBondContact O-CB 3.5Å; R441-F444 PolarHBondContact O-N 3.04Å; N442-F444 VanDerWaalsContact C-N 3.35Å; F444-A446 PolarHBondContact O-N 3.42Å; F444-A446 VanDerWaalsContact O-N 3.11Å; F444-D447 HydrophobicContact CD2-CB 4.4Å; F444-D447 WeakPolarHBondContact CD2-OD2 3.3Å; F444-D447 HydrophobicContact CE2-CB 4.36Å; F444-D447 WeakPolarHBondContact O-CB 3.18Å; F444-D447 PolarHBondContact O-N 2.79Å |
| 445 | D | 43.5 | Very low | 57.3 | Low | 91 Ų | 91 | 100.2 Ų | 100.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -14.2 | 170.7 | -74.1 | -47.7 | 0 | 0 | 0 | 113.3 | N443 D447 N448 L449 | N443-D445 VanDerWaalsContact C-N 3.28Å; N443-D445 PolarHBondContact O-N 3Å; D445-D447 VanDerWaalsContact C-N 3.27Å; D445-D447 PolarHBondContact O-N 3.48Å; D445-N448 WeakPolarHBondContact O-CB 3.37Å; D445-N448 PolarHBondContact O-N 2.9Å; D445-N448 PolarHBondContact OD1-ND2 3.26Å; D445-L449 PolarHBondContact O-N 3.08Å |
| 446 | A | 50.9 | Low | 57.6 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -24.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N443 F444 L449 R450 | N443-A446 VanDerWaalsContact O-CB 3.28Å; N443-A446 WeakPolarHBondContact O-CB 3.37Å; N443-A446 PolarHBondContact O-N 3.31Å; F444-A446 PolarHBondContact O-N 3.42Å; F444-A446 VanDerWaalsContact O-N 3.11Å; A446-L449 WeakPolarHBondContact O-CB 3.42Å; A446-L449 PolarHBondContact O-N 3.49Å; A446-R450 PolarHBondContact O-N 3.2Å |
| 447 | D | 53.4 | Low | 58.4 | Low | 71 Ų | 71 | 95.4 Ų | 95.4 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.1 | -30.5 | 172.7 | -70.4 | -46.4 | 0 | 0 | 0 | 111.4 | F444 D445 L449 R450 D451 | F444-D447 HydrophobicContact CD2-CB 4.4Å; F444-D447 WeakPolarHBondContact CD2-OD2 3.3Å; F444-D447 HydrophobicContact CE2-CB 4.36Å; F444-D447 WeakPolarHBondContact O-CB 3.18Å; F444-D447 PolarHBondContact O-N 2.79Å; D445-D447 VanDerWaalsContact C-N 3.27Å; D445-D447 PolarHBondContact O-N 3.48Å; D447-L449 VanDerWaalsContact C-N 3.27Å; D447-L449 PolarHBondContact O-N 2.85Å; D447-R450 VanDerWaalsContact O-CB 3.27Å; D447-R450 WeakPolarHBondContact O-CB 2.96Å; D447-R450 PolarHBondContact O-N 3.38Å; D447-R450 VanDerWaalsContact O-N 3.12Å; D447-D451 PolarHBondContact O-N 3.26Å; D447-D451 VanDerWaalsContact O-N 3.16Å |
| 448 | N | 57.6 | Low | 59.1 | Low | 79 Ų | 79 | 96.6 Ų | 96.6 | 42% | 0.422 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 170.2 | -69.8 | -40.2 | 0 | 0 | 0 | 111.8 | D445 R450 T452 | D445-N448 WeakPolarHBondContact O-CB 3.37Å; D445-N448 PolarHBondContact O-N 2.9Å; D445-N448 PolarHBondContact OD1-ND2 3.26Å; N448-R450 VanDerWaalsContact C-N 3.34Å; N448-T452 PolarHBondContact O-N 3.08Å; N448-T452 PolarHBondContact O-OG1 2.84Å |
| 449 | L | 56.4 | Low | 60 | Low | 116 Ų | 116 | 95.3 Ų | 95.3 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66 | -36.4 | 173 | -175 | 66.2 | 0 | 0 | 0 | 111.6 | D445 A446 D447 T452 V453 | D445-L449 PolarHBondContact O-N 3.08Å; A446-L449 WeakPolarHBondContact O-CB 3.42Å; A446-L449 PolarHBondContact O-N 3.49Å; D447-L449 VanDerWaalsContact C-N 3.27Å; D447-L449 PolarHBondContact O-N 2.85Å; L449-T452 WeakPolarHBondContact O-CB 3.17Å; L449-T452 PolarHBondContact O-N 3.37Å; L449-V453 WeakPolarHBondContact O-CG2 3.31Å; L449-V453 PolarHBondContact O-N 2.9Å; L449-V453 VanDerWaalsContact O-N 3.11Å |
| 450 | R | 56.1 | Low | 61.1 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 175.4 | 177.3 | -167.8 | 174.8 | 155.3 | -1.1 | 111.9 | A446 D447 N448 T452 V453 I454 F499 N503 | A446-R450 PolarHBondContact O-N 3.2Å; D447-R450 VanDerWaalsContact O-CB 3.27Å; D447-R450 WeakPolarHBondContact O-CB 2.96Å; D447-R450 PolarHBondContact O-N 3.38Å; D447-R450 VanDerWaalsContact O-N 3.12Å; N448-R450 VanDerWaalsContact C-N 3.34Å; R450-T452 VanDerWaalsContact C-N 3.28Å; R450-T452 PolarHBondContact O-N 3.12Å; R450-V453 PolarHBondContact O-N 3.4Å; R450-V453 VanDerWaalsContact O-N 3.17Å; R450-I454 PolarHBondContact O-N 3.2Å; R450-I454 VanDerWaalsContact O-N 3.15Å; R450-F499 HydrophobicContact CG-CE1 4.02Å; R450-F499 HydrophobicContact CG-CZ 3.87Å; R450-N503 PolarHBondContact NH1-ND2 2.84Å; R450-N503 PolarHBondContact NH2-ND2 2.67Å |
| 451 | D | 66.2 | Low | 62.3 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 178.2 | -74.4 | -11.3 | 0 | 0 | 0 | 112.2 | D447 V453 I454 S455 | D447-D451 PolarHBondContact O-N 3.26Å; D447-D451 VanDerWaalsContact O-N 3.16Å; D451-V453 VanDerWaalsContact C-N 3.35Å; D451-V453 PolarHBondContact O-N 2.97Å; D451-I454 PolarHBondContact O-N 2.9Å; D451-S455 PolarHBondContact O-N 3.36Å; D451-S455 VanDerWaalsContact O-N 3.09Å |
| 452 | T | 69.7 | Low | 63.8 | Low | 78 Ų | 78 | 84.5 Ų | 84.5 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 172.6 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | N448 L449 R450 I454 S455 E456 | N448-T452 PolarHBondContact O-N 3.08Å; N448-T452 PolarHBondContact O-OG1 2.84Å; L449-T452 WeakPolarHBondContact O-CB 3.17Å; L449-T452 PolarHBondContact O-N 3.37Å; R450-T452 VanDerWaalsContact C-N 3.28Å; R450-T452 PolarHBondContact O-N 3.12Å; T452-I454 PolarHBondContact O-N 3.27Å; T452-S455 WeakPolarHBondContact O-CB 3.11Å; T452-S455 PolarHBondContact O-N 2.93Å; T452-E456 PolarHBondContact O-N 2.66Å; T452-E456 VanDerWaalsContact O-N 3.13Å |
| 453 | V | 64.8 | Low | 65.5 | Low | 66 Ų | 66 | 85 Ų | 85 | 40% | 0.4 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | L449 R450 D451 S455 E456 L457 F499 | L449-V453 WeakPolarHBondContact O-CG2 3.31Å; L449-V453 PolarHBondContact O-N 2.9Å; L449-V453 VanDerWaalsContact O-N 3.11Å; R450-V453 PolarHBondContact O-N 3.4Å; R450-V453 VanDerWaalsContact O-N 3.17Å; D451-V453 VanDerWaalsContact C-N 3.35Å; D451-V453 PolarHBondContact O-N 2.97Å; V453-S455 VanDerWaalsContact C-N 3.33Å; V453-S455 PolarHBondContact O-N 3.17Å; V453-E456 PolarHBondContact O-N 3.41Å; V453-L457 HydrophobicContact CG1-CD1 4.42Å; V453-L457 WeakPolarHBondContact O-CG 3.25Å; V453-L457 PolarHBondContact O-N 2.89Å; V453-L457 VanDerWaalsContact O-N 3.12Å; V453-F499 HydrophobicContact CG1-CE2 4.45Å; V453-F499 HydrophobicContact CG1-CZ 4.43Å |
| 454 | I | 70.3 | Confident | 66.7 | Low | 55 Ų | 55 | 80.2 Ų | 80.2 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 173.5 | -62.5 | 171.4 | 0 | 0 | 0 | 110.5 | R450 D451 T452 E456 L457 Q458 F499 | R450-I454 PolarHBondContact O-N 3.2Å; R450-I454 VanDerWaalsContact O-N 3.15Å; D451-I454 PolarHBondContact O-N 2.9Å; T452-I454 PolarHBondContact O-N 3.27Å; I454-E456 PolarHBondContact O-N 3.46Å; I454-L457 PolarHBondContact O-N 3.09Å; I454-Q458 WeakPolarHBondContact O-CG 3.3Å; I454-Q458 PolarHBondContact O-N 3.43Å; I454-Q458 VanDerWaalsContact O-N 3.13Å; I454-F499 HydrophobicContact CD1-CD1 4.34Å; I454-F499 HydrophobicContact CD1-CE1 3.85Å; I454-F499 HydrophobicContact CG1-CD1 3.94Å; I454-F499 HydrophobicContact CG1-CE1 3.46Å; I454-F499 VanDerWaalsContact CG1-CE1 3.46Å; I454-F499 HydrophobicContact CG1-CZ 4.35Å |
| 455 | S | 72.9 | Confident | 68 | Low | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 179.6 | -168.8 | 0 | 0 | 0 | 0 | 112.6 | D451 T452 V453 Q458 K459 | D451-S455 PolarHBondContact O-N 3.36Å; D451-S455 VanDerWaalsContact O-N 3.09Å; T452-S455 WeakPolarHBondContact O-CB 3.11Å; T452-S455 PolarHBondContact O-N 2.93Å; V453-S455 VanDerWaalsContact C-N 3.33Å; V453-S455 PolarHBondContact O-N 3.17Å; S455-Q458 PolarHBondContact O-N 3.2Å; S455-K459 WeakPolarHBondContact O-CG 3.43Å; S455-K459 PolarHBondContact O-N 2.94Å |
| 456 | E | 72.4 | Confident | 69.7 | Low | 94 Ų | 94 | 77.1 Ų | 77.1 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 175.5 | -67.1 | -53.5 | 138.4 | 0 | 0 | 112.5 | T452 V453 I454 Q458 K459 V460 | T452-E456 PolarHBondContact O-N 2.66Å; T452-E456 VanDerWaalsContact O-N 3.13Å; V453-E456 PolarHBondContact O-N 3.41Å; I454-E456 PolarHBondContact O-N 3.46Å; E456-Q458 VanDerWaalsContact C-N 3.31Å; E456-Q458 PolarHBondContact O-N 2.77Å; E456-K459 WeakPolarHBondContact O-CB 3.35Å; E456-K459 PolarHBondContact O-N 3.22Å; E456-K459 VanDerWaalsContact O-N 3.1Å; E456-K459 IonicContact OE1-NZ 3.38Å; E456-K459 PolarHBondContact OE1-NZ 3.31Å; E456-K459 WeakPolarHBondContact OE2-CD 3.28Å; E456-K459 IonicContact OE2-NZ 2.67Å; E456-V460 PolarHBondContact O-N 3.36Å; E456-V460 VanDerWaalsContact O-N 3.11Å |
| 457 | L | 73.5 | Confident | 71 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.4 | -71.9 | 172.5 | 0 | 0 | 0 | 112.2 | V453 I454 K459 V460 E461 | V453-L457 HydrophobicContact CG1-CD1 4.42Å; V453-L457 WeakPolarHBondContact O-CG 3.25Å; V453-L457 PolarHBondContact O-N 2.89Å; V453-L457 VanDerWaalsContact O-N 3.12Å; I454-L457 PolarHBondContact O-N 3.09Å; L457-K459 VanDerWaalsContact C-N 3.33Å; L457-K459 PolarHBondContact O-N 3.01Å; L457-V460 PolarHBondContact O-N 3.01Å; L457-E461 PolarHBondContact O-N 2.77Å |
| 458 | Q | 76.4 | Confident | 72.1 | Confident | 116 Ų | 116 | 77.1 Ų | 77.1 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 174.9 | -70.4 | 176 | -11.8 | 0 | 0 | 112.9 | I454 S455 E456 E461 S462 | I454-Q458 WeakPolarHBondContact O-CG 3.3Å; I454-Q458 PolarHBondContact O-N 3.43Å; I454-Q458 VanDerWaalsContact O-N 3.13Å; S455-Q458 PolarHBondContact O-N 3.2Å; E456-Q458 VanDerWaalsContact C-N 3.31Å; E456-Q458 PolarHBondContact O-N 2.77Å; Q458-E461 WeakPolarHBondContact O-CB 3.46Å; Q458-E461 PolarHBondContact O-N 3.1Å; Q458-S462 PolarHBondContact O-N 2.96Å |
| 459 | K | 78 | Confident | 72.9 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 173.3 | -67.2 | 169.2 | -165.2 | 172.5 | 0 | 111.3 | S455 E456 L457 E461 S462 I463 | S455-K459 WeakPolarHBondContact O-CG 3.43Å; S455-K459 PolarHBondContact O-N 2.94Å; E456-K459 WeakPolarHBondContact O-CB 3.35Å; E456-K459 PolarHBondContact O-N 3.22Å; E456-K459 VanDerWaalsContact O-N 3.1Å; E456-K459 IonicContact OE1-NZ 3.38Å; E456-K459 PolarHBondContact OE1-NZ 3.31Å; E456-K459 WeakPolarHBondContact OE2-CD 3.28Å; E456-K459 IonicContact OE2-NZ 2.67Å; L457-K459 VanDerWaalsContact C-N 3.33Å; L457-K459 PolarHBondContact O-N 3.01Å; K459-E461 VanDerWaalsContact C-N 3.33Å; K459-E461 PolarHBondContact O-N 2.9Å; K459-S462 PolarHBondContact O-N 3.14Å; K459-I463 WeakPolarHBondContact O-CG1 3.35Å; K459-I463 PolarHBondContact O-N 2.92Å |
| 460 | V | 74.2 | Confident | 73.9 | Confident | 72 Ų | 72 | 77 Ų | 77 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.9 | -175 | 0 | 0 | 0 | 0 | 110.8 | E456 L457 S462 I463 L464 L492 | E456-V460 PolarHBondContact O-N 3.36Å; E456-V460 VanDerWaalsContact O-N 3.11Å; L457-V460 PolarHBondContact O-N 3.01Å; V460-S462 VanDerWaalsContact C-N 3.34Å; V460-S462 PolarHBondContact O-N 3.28Å; V460-I463 PolarHBondContact O-N 3.06Å; V460-L464 WeakPolarHBondContact O-CB 3.43Å; V460-L464 PolarHBondContact O-N 3.47Å; V460-L492 HydrophobicContact CB-CD1 3.96Å; V460-L492 HydrophobicContact CG1-CD1 3.45Å; V460-L492 VanDerWaalsContact CG1-CD1 3.45Å |
| 461 | E | 77.9 | Confident | 74.8 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.5 | -44 | 173.3 | -166.1 | -177.2 | 171.4 | 0 | 0 | 112.2 | L457 Q458 K459 I463 L464 N465 L492 | L457-E461 PolarHBondContact O-N 2.77Å; Q458-E461 WeakPolarHBondContact O-CB 3.46Å; Q458-E461 PolarHBondContact O-N 3.1Å; K459-E461 VanDerWaalsContact C-N 3.33Å; K459-E461 PolarHBondContact O-N 2.9Å; E461-I463 PolarHBondContact O-N 3.43Å; E461-L464 PolarHBondContact O-N 3.1Å; E461-N465 WeakPolarHBondContact O-CB 3.41Å; E461-N465 PolarHBondContact O-N 3.44Å; E461-N465 PolarHBondContact O-ND2 3.34Å; E461-L492 HydrophobicContact CB-CD2 3.8Å; E461-L492 HydrophobicContact CG-CD2 3.93Å |
| 462 | S | 78.5 | Confident | 75.1 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 176 | -174 | 0 | 0 | 0 | 0 | 113 | Q458 K459 V460 S466 | Q458-S462 PolarHBondContact O-N 2.96Å; K459-S462 PolarHBondContact O-N 3.14Å; V460-S462 VanDerWaalsContact C-N 3.34Å; V460-S462 PolarHBondContact O-N 3.28Å; S462-S466 WeakPolarHBondContact O-CB 3.48Å; S462-S466 PolarHBondContact O-N 3.15Å; S462-S466 VanDerWaalsContact O-N 3.15Å; S462-S466 PolarHBondContact O-OG 3.07Å |
| 463 | I | 78.8 | Confident | 75.4 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 59% | 0.585 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.2 | -44.6 | 176.5 | -67.6 | 165.5 | 0 | 0 | 0 | 110.2 | K459 V460 E461 N465 S466 L467 | K459-I463 WeakPolarHBondContact O-CG1 3.35Å; K459-I463 PolarHBondContact O-N 2.92Å; V460-I463 PolarHBondContact O-N 3.06Å; E461-I463 PolarHBondContact O-N 3.43Å; I463-N465 PolarHBondContact O-N 2.66Å; I463-S466 WeakPolarHBondContact O-CB 3.44Å; I463-S466 PolarHBondContact O-N 2.98Å; I463-S466 VanDerWaalsContact O-N 3.17Å; I463-L467 PolarHBondContact O-N 3.25Å |
| 464 | L | 77.8 | Confident | 76 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 9% | 0.094 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 179.1 | -171.2 | 66.5 | 0 | 0 | 0 | 111.5 | V460 E461 S466 L467 K468 L488 E489 L492 | V460-L464 WeakPolarHBondContact O-CB 3.43Å; V460-L464 PolarHBondContact O-N 3.47Å; E461-L464 PolarHBondContact O-N 3.1Å; L464-S466 VanDerWaalsContact C-N 3.33Å; L464-S466 PolarHBondContact O-N 3.27Å; L464-L467 WeakPolarHBondContact O-CB 3.38Å; L464-L467 PolarHBondContact O-N 3.5Å; L464-K468 WeakPolarHBondContact O-CB 3.47Å; L464-K468 PolarHBondContact O-N 2.96Å; L464-L488 HydrophobicContact CD1-CB 3.9Å; L464-L488 HydrophobicContact CD1-CD1 4.23Å; L464-L488 HydrophobicContact CD2-CB 4.38Å; L464-E489 HydrophobicContact CD2-CB 4.4Å; L464-E489 HydrophobicContact CD2-CG 3.65Å; L464-E489 HydrophobicContact CG-CG 4.29Å; L464-L492 HydrophobicContact CD2-CB 4.45Å; L464-L492 HydrophobicContact CD2-CD1 4.48Å |
| 465 | N | 79.3 | Confident | 75.9 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 173.9 | -82.9 | -61.7 | 0 | 0 | 0 | 112.7 | E461 I463 K468 Q469 | E461-N465 WeakPolarHBondContact O-CB 3.41Å; E461-N465 PolarHBondContact O-N 3.44Å; E461-N465 PolarHBondContact O-ND2 3.34Å; I463-N465 PolarHBondContact O-N 2.66Å; N465-K468 PolarHBondContact O-N 3.39Å; N465-Q469 PolarHBondContact O-N 3.44Å |
| 466 | S | 78.5 | Confident | 75.3 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 112 | S462 I463 L464 Q469 F470 | S462-S466 WeakPolarHBondContact O-CB 3.48Å; S462-S466 PolarHBondContact O-N 3.15Å; S462-S466 VanDerWaalsContact O-N 3.15Å; S462-S466 PolarHBondContact O-OG 3.07Å; I463-S466 WeakPolarHBondContact O-CB 3.44Å; I463-S466 PolarHBondContact O-N 2.98Å; I463-S466 VanDerWaalsContact O-N 3.17Å; L464-S466 VanDerWaalsContact C-N 3.33Å; L464-S466 PolarHBondContact O-N 3.27Å; S466-Q469 PolarHBondContact O-N 2.86Å; S466-F470 PolarHBondContact O-N 3.38Å |
| 467 | L | 77.6 | Confident | 74.7 | Confident | 80 Ų | 80 | 89.1 Ų | 89.1 | 42% | 0.419 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 175 | -174.2 | 72.1 | 0 | 0 | 0 | 111.3 | I463 L464 Q469 F470 V471 I485 | I463-L467 PolarHBondContact O-N 3.25Å; L464-L467 WeakPolarHBondContact O-CB 3.38Å; L464-L467 PolarHBondContact O-N 3.5Å; L467-Q469 VanDerWaalsContact C-N 3.3Å; L467-Q469 PolarHBondContact O-N 3.05Å; L467-F470 PolarHBondContact O-N 3.18Å; L467-V471 WeakPolarHBondContact O-CG2 3.33Å; L467-V471 PolarHBondContact O-N 2.85Å; L467-I485 HydrophobicContact CD2-CG1 4.47Å |
| 468 | K | 76.7 | Confident | 74.6 | Confident | 50 Ų | 50 | 88.4 Ų | 88.4 | 22% | 0.217 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59 | -40.7 | 176.6 | -168 | 179.7 | -165.8 | 174.3 | 0 | 111.9 | L464 N465 R472 I485 E489 | L464-K468 WeakPolarHBondContact O-CB 3.47Å; L464-K468 PolarHBondContact O-N 2.96Å; N465-K468 PolarHBondContact O-N 3.39Å; K468-R472 PolarHBondContact O-N 3.38Å; K468-R472 VanDerWaalsContact O-N 3.07Å; K468-I485 HydrophobicContact CB-CG2 4.05Å; K468-I485 HydrophobicContact CD-CG2 4.41Å; K468-I485 HydrophobicContact CG-CG2 4.03Å; K468-E489 VanDerWaalsContact CD-OE1 3.24Å; K468-E489 WeakPolarHBondContact CD-OE1 3.43Å; K468-E489 WeakPolarHBondContact CE-OE1 3.48Å; K468-E489 WeakPolarHBondContact CE-OE2 3.48Å; K468-E489 IonicContact NZ-OE1 2.75Å; K468-E489 PolarHBondContact NZ-OE1 2.67Å; K468-E489 IonicContact NZ-OE2 3.95Å; K468-E489 PolarHBondContact NZ-OE2 3.45Å |
| 469 | Q | 75.4 | Confident | 74.5 | Confident | 81 Ų | 81 | 87.3 Ų | 87.3 | 38% | 0.379 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.3 | -172.8 | 54.2 | 31.6 | 0 | 0 | 111.9 | N465 S466 L467 V471 R472 D473 | N465-Q469 PolarHBondContact O-N 3.44Å; S466-Q469 PolarHBondContact O-N 2.86Å; L467-Q469 VanDerWaalsContact C-N 3.3Å; L467-Q469 PolarHBondContact O-N 3.05Å; Q469-V471 VanDerWaalsContact C-N 3.29Å; Q469-V471 PolarHBondContact O-N 2.89Å; Q469-R472 PolarHBondContact O-N 3.25Å; Q469-D473 PolarHBondContact NE2-OD1 3.01Å; Q469-D473 PolarHBondContact NE2-OD2 2.71Å; Q469-D473 VanDerWaalsContact O-CG 3.26Å; Q469-D473 PolarHBondContact O-N 3.25Å |
| 470 | F | 77.2 | Confident | 74.5 | Confident | 112 Ų | 112 | 90.4 Ų | 90.4 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.8 | -40.1 | 176.2 | 179 | -94.9 | 0 | 0 | 0 | 112.8 | S466 L467 D473 K474 F475 | S466-F470 PolarHBondContact O-N 3.38Å; L467-F470 PolarHBondContact O-N 3.18Å; F470-D473 PolarHBondContact O-N 2.83Å; F470-K474 HydrophobicContact CD2-CG 4.25Å; F470-K474 HydrophobicContact CE1-CG 4.24Å; F470-K474 HydrophobicContact CE2-CG 3.94Å; F470-K474 HydrophobicContact CZ-CG 3.94Å; F470-K474 VanDerWaalsContact O-CB 3.29Å; F470-K474 WeakPolarHBondContact O-CB 3.36Å; F470-K474 WeakPolarHBondContact O-CG 3.42Å; F470-K474 PolarHBondContact O-N 3.32Å; F470-F475 HydrophobicContact CE1-CE2 4.14Å |
| 471 | V | 74.2 | Confident | 74.4 | Confident | 8 Ų | 8 | 91 Ų | 91 | 5% | 0.048 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.6 | -38.7 | 179.8 | 169.6 | 0 | 0 | 0 | 0 | 112 | L467 Q469 K474 F475 L481 I485 | L467-V471 WeakPolarHBondContact O-CG2 3.33Å; L467-V471 PolarHBondContact O-N 2.85Å; Q469-V471 VanDerWaalsContact C-N 3.29Å; Q469-V471 PolarHBondContact O-N 2.89Å; V471-K474 PolarHBondContact O-N 2.99Å; V471-F475 HydrophobicContact CG1-CB 4.3Å; V471-F475 CarbonylContact O-C 3.57Å; V471-F475 VanDerWaalsContact O-CA 3.31Å; V471-F475 WeakPolarHBondContact O-CA 3.34Å; V471-F475 WeakPolarHBondContact O-CB 3.23Å; V471-F475 PolarHBondContact O-N 2.74Å; V471-L481 HydrophobicContact CB-CD2 4.48Å; V471-L481 HydrophobicContact CG1-CD2 3.82Å; V471-L481 HydrophobicContact CG2-CD2 3.76Å; V471-I485 HydrophobicContact CB-CD1 3.84Å; V471-I485 HydrophobicContact CG1-CD1 3.88Å; V471-I485 HydrophobicContact CG2-CD1 3.77Å |
| 472 | R | 73.3 | Confident | 74.4 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 168.2 | -78.7 | -172.7 | -67.5 | -113.1 | -1.6 | 112.1 | K468 Q469 K474 N476 | K468-R472 PolarHBondContact O-N 3.38Å; K468-R472 VanDerWaalsContact O-N 3.07Å; Q469-R472 PolarHBondContact O-N 3.25Å; R472-K474 VanDerWaalsContact C-N 3.28Å; R472-K474 PolarHBondContact O-N 2.8Å; R472-N476 PolarHBondContact O-ND2 3.39Å; R472-N476 PolarHBondContact O-OD1 3.47Å; R472-N476 VanDerWaalsContact O-OD1 3.05Å |
| 473 | D | 76 | Confident | 74.4 | Confident | 113 Ų | 113 | 89.7 Ų | 89.7 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.1 | -21 | -175.1 | -66.8 | -23.4 | 0 | 0 | 0 | 113.7 | Q469 F470 | Q469-D473 PolarHBondContact NE2-OD1 3.01Å; Q469-D473 PolarHBondContact NE2-OD2 2.71Å; Q469-D473 VanDerWaalsContact O-CG 3.26Å; Q469-D473 PolarHBondContact O-N 3.25Å; F470-D473 PolarHBondContact O-N 2.83Å |
| 474 | K | 76.6 | Confident | 74.5 | Confident | 138 Ų | 138 | 91.1 Ų | 91.1 | 60% | 0.6 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -116.3 | -29.2 | -174.1 | -69.6 | -74.2 | -177.5 | 178.7 | 0 | 115.4 | F470 V471 R472 | F470-K474 HydrophobicContact CD2-CG 4.25Å; F470-K474 HydrophobicContact CE1-CG 4.24Å; F470-K474 HydrophobicContact CE2-CG 3.94Å; F470-K474 HydrophobicContact CZ-CG 3.94Å; F470-K474 VanDerWaalsContact O-CB 3.29Å; F470-K474 WeakPolarHBondContact O-CB 3.36Å; F470-K474 WeakPolarHBondContact O-CG 3.42Å; F470-K474 PolarHBondContact O-N 3.32Å; V471-K474 PolarHBondContact O-N 2.99Å; R472-K474 VanDerWaalsContact C-N 3.28Å; R472-K474 PolarHBondContact O-N 2.8Å |
| 475 | F | 69.3 | Low | 74.5 | Confident | 107 Ų | 107 | 90.8 Ų | 90.8 | 47% | 0.469 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -140.9 | 39.7 | -163.2 | -60.8 | -75.1 | 0 | 0 | 0 | 112.3 | F470 V471 E477 S478 | F470-F475 HydrophobicContact CE1-CE2 4.14Å; V471-F475 HydrophobicContact CG1-CB 4.3Å; V471-F475 CarbonylContact O-C 3.57Å; V471-F475 VanDerWaalsContact O-CA 3.31Å; V471-F475 WeakPolarHBondContact O-CA 3.34Å; V471-F475 WeakPolarHBondContact O-CB 3.23Å; V471-F475 PolarHBondContact O-N 2.74Å; F475-E477 PolarHBondContact O-N 2.97Å; F475-S478 PolarHBondContact O-N 2.8Å; F475-S478 VanDerWaalsContact O-N 3.09Å; F475-S478 PolarHBondContact O-OG 2.81Å; F475-S478 VanDerWaalsContact O-OG 3.11Å |
| 476 | N | 59.1 | Low | 74.5 | Confident | 122 Ų | 122 | 92 Ų | 92 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -13.4 | 175.5 | -97.5 | -17.3 | 0 | 0 | 0 | 115.1 | R472 | R472-N476 PolarHBondContact O-ND2 3.39Å; R472-N476 PolarHBondContact O-OD1 3.47Å; R472-N476 VanDerWaalsContact O-OD1 3.05Å |
| 477 | E | 59.9 | Low | 74.4 | Confident | 189 Ų | 189 | 93.4 Ų | 93.4 | 88% | 0.883 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 2.2 | -178.9 | -62.3 | -176.4 | 173.5 | 0 | 0 | 114.4 | F475 P479 | F475-E477 PolarHBondContact O-N 2.97Å; E477-P479 WeakPolarHBondContact O-CD 3.44Å |
| 478 | S | 72.5 | Confident | 74.5 | Confident | 27 Ų | 27 | 92.3 Ų | 92.3 | 19% | 0.189 | 45% | 0.447 | C | S | . | . | trans | -102.7 | 88.9 | 178.8 | 63.5 | 0 | 0 | 0 | 0 | 112.6 | F475 E480 L481 I482 | F475-S478 PolarHBondContact O-N 2.8Å; F475-S478 VanDerWaalsContact O-N 3.09Å; F475-S478 PolarHBondContact O-OG 2.81Å; F475-S478 VanDerWaalsContact O-OG 3.11Å; S478-E480 VanDerWaalsContact C-N 3.28Å; S478-E480 PolarHBondContact O-N 3.38Å; S478-L481 PolarHBondContact O-N 2.87Å; S478-L481 WeakPolarHBondContact OG-CB 3.31Å; S478-I482 WeakPolarHBondContact O-CG1 3.41Å; S478-I482 PolarHBondContact O-N 3.36Å | ||
| 479 | P | 74.4 | Confident | 74.4 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 60% | 0.604 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.9 | -32.7 | -177.5 | 26.2 | -35.3 | 0 | 0 | 0 | 112.9 | E477 L481 I482 S483 | E477-P479 WeakPolarHBondContact O-CD 3.44Å; P479-L481 VanDerWaalsContact C-N 3.35Å; P479-L481 PolarHBondContact O-N 2.88Å; P479-I482 PolarHBondContact O-N 3.43Å; P479-S483 WeakPolarHBondContact O-CB 3.43Å; P479-S483 PolarHBondContact O-N 3.46Å |
| 480 | E | 76.5 | Confident | 74.4 | Confident | 163 Ų | 163 | 93.3 Ų | 93.3 | 76% | 0.762 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 177.7 | -63.4 | 152.2 | 178.2 | 0 | 0 | 111.7 | S478 S483 Y484 | S478-E480 VanDerWaalsContact C-N 3.28Å; S478-E480 PolarHBondContact O-N 3.38Å; E480-S483 PolarHBondContact O-N 2.69Å; E480-Y484 PolarHBondContact O-N 2.75Å; E480-Y484 VanDerWaalsContact O-N 3.08Å |
| 481 | L | 74 | Confident | 74.3 | Confident | 84 Ų | 84 | 92.8 Ų | 92.8 | 44% | 0.44 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.7 | -34.9 | -179.5 | -133.9 | 104.6 | 0 | 0 | 0 | 111.8 | V471 S478 P479 I485 | V471-L481 HydrophobicContact CB-CD2 4.48Å; V471-L481 HydrophobicContact CG1-CD2 3.82Å; V471-L481 HydrophobicContact CG2-CD2 3.76Å; S478-L481 PolarHBondContact O-N 2.87Å; S478-L481 WeakPolarHBondContact OG-CB 3.31Å; P479-L481 VanDerWaalsContact C-N 3.35Å; P479-L481 PolarHBondContact O-N 2.88Å; L481-I485 WeakPolarHBondContact O-CG1 3.48Å; L481-I485 PolarHBondContact O-N 3.23Å; L481-I485 VanDerWaalsContact O-N 3.16Å |
| 482 | I | 76.5 | Confident | 74.2 | Confident | 64 Ų | 64 | 93.4 Ų | 93.4 | 33% | 0.328 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 174.1 | -64.7 | 168.3 | 0 | 0 | 0 | 109.6 | S478 P479 Y484 I485 Q486 | S478-I482 WeakPolarHBondContact O-CG1 3.41Å; S478-I482 PolarHBondContact O-N 3.36Å; P479-I482 PolarHBondContact O-N 3.43Å; I482-Y484 VanDerWaalsContact C-N 3.33Å; I482-Y484 PolarHBondContact O-N 2.76Å; I482-I485 PolarHBondContact O-N 3.08Å; I482-Q486 PolarHBondContact O-N 3.44Å |
| 483 | S | 79.3 | Confident | 74.2 | Confident | 65 Ų | 65 | 92.4 Ų | 92.4 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.8 | -45.5 | 175.7 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | P479 E480 Q486 E487 | P479-S483 WeakPolarHBondContact O-CB 3.43Å; P479-S483 PolarHBondContact O-N 3.46Å; E480-S483 PolarHBondContact O-N 2.69Å; S483-Q486 WeakPolarHBondContact O-CB 3.39Å; S483-Q486 PolarHBondContact O-N 3.05Å; S483-Q486 VanDerWaalsContact O-N 3.16Å; S483-E487 PolarHBondContact O-N 3.49Å |
| 484 | Y | 80.3 | Confident | 74 | Confident | 145 Ų | 145 | 88.3 Ų | 88.3 | 57% | 0.569 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.9 | -36.5 | -178.9 | -170.1 | -108.1 | 0 | 0 | 0 | 113.4 | E480 I482 Q486 E487 L488 | E480-Y484 PolarHBondContact O-N 2.75Å; E480-Y484 VanDerWaalsContact O-N 3.08Å; I482-Y484 VanDerWaalsContact C-N 3.33Å; I482-Y484 PolarHBondContact O-N 2.76Å; Y484-Q486 VanDerWaalsContact C-N 3.25Å; Y484-Q486 PolarHBondContact O-N 3.46Å; Y484-E487 PolarHBondContact O-N 3.31Å; Y484-L488 HydrophobicContact CD1-CD1 4.17Å; Y484-L488 HydrophobicContact CE1-CD1 3.89Å; Y484-L488 HydrophobicContact CE1-CG 4.42Å; Y484-L488 WeakPolarHBondContact O-CG 3.48Å; Y484-L488 PolarHBondContact O-N 3.47Å; Y484-L488 VanDerWaalsContact O-N 3.16Å |
| 485 | I | 79.1 | Confident | 73.6 | Confident | 11 Ų | 11 | 86 Ų | 86 | 6% | 0.056 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 172.7 | -69.3 | 167.7 | 0 | 0 | 0 | 110.7 | L467 K468 V471 L481 I482 L488 E489 | L467-I485 HydrophobicContact CD2-CG1 4.47Å; K468-I485 HydrophobicContact CB-CG2 4.05Å; K468-I485 HydrophobicContact CD-CG2 4.41Å; K468-I485 HydrophobicContact CG-CG2 4.03Å; V471-I485 HydrophobicContact CB-CD1 3.84Å; V471-I485 HydrophobicContact CG1-CD1 3.88Å; V471-I485 HydrophobicContact CG2-CD1 3.77Å; L481-I485 WeakPolarHBondContact O-CG1 3.48Å; L481-I485 PolarHBondContact O-N 3.23Å; L481-I485 VanDerWaalsContact O-N 3.16Å; I482-I485 PolarHBondContact O-N 3.08Å; I485-L488 PolarHBondContact O-N 3.13Å; I485-E489 PolarHBondContact O-N 2.77Å |
| 486 | Q | 77.6 | Confident | 73.6 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.3 | -38.1 | 179.5 | -145.4 | 148.2 | -20.7 | 0 | 0 | 112 | I482 S483 Y484 L488 E489 D490 | I482-Q486 PolarHBondContact O-N 3.44Å; S483-Q486 WeakPolarHBondContact O-CB 3.39Å; S483-Q486 PolarHBondContact O-N 3.05Å; S483-Q486 VanDerWaalsContact O-N 3.16Å; Y484-Q486 VanDerWaalsContact C-N 3.25Å; Y484-Q486 PolarHBondContact O-N 3.46Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.46Å; Q486-E489 WeakPolarHBondContact O-CB 3.47Å; Q486-E489 PolarHBondContact O-N 2.78Å; Q486-E489 VanDerWaalsContact O-N 3.17Å; Q486-D490 PolarHBondContact O-N 3.37Å |
| 487 | E | 78.1 | Confident | 73.9 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 49% | 0.486 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 168.7 | -73 | 178.5 | -175.4 | 0 | 0 | 112.2 | S483 Y484 D490 I491 | S483-E487 PolarHBondContact O-N 3.49Å; Y484-E487 PolarHBondContact O-N 3.31Å; E487-D490 PolarHBondContact O-N 2.93Å; E487-I491 VanDerWaalsContact O-CG1 3.28Å; E487-I491 WeakPolarHBondContact O-CG1 3.21Å; E487-I491 PolarHBondContact O-N 3.45Å |
| 488 | L | 78 | Confident | 74 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 175.2 | -69.4 | 173.3 | 0 | 0 | 0 | 112.4 | L464 Y484 I485 Q486 L492 | L464-L488 HydrophobicContact CD1-CB 3.9Å; L464-L488 HydrophobicContact CD1-CD1 4.23Å; L464-L488 HydrophobicContact CD2-CB 4.38Å; Y484-L488 HydrophobicContact CD1-CD1 4.17Å; Y484-L488 HydrophobicContact CE1-CD1 3.89Å; Y484-L488 HydrophobicContact CE1-CG 4.42Å; Y484-L488 WeakPolarHBondContact O-CG 3.48Å; Y484-L488 PolarHBondContact O-N 3.47Å; Y484-L488 VanDerWaalsContact O-N 3.16Å; I485-L488 PolarHBondContact O-N 3.13Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 3.46Å; L488-L492 VanDerWaalsContact O-CB 3.26Å; L488-L492 WeakPolarHBondContact O-CB 3.34Å; L488-L492 PolarHBondContact O-N 3.25Å |
| 489 | E | 75.1 | Confident | 73.3 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 172.3 | -75.1 | -176.8 | 143.1 | 0 | 0 | 112 | L464 K468 I485 Q486 I491 L492 T493 | L464-E489 HydrophobicContact CD2-CB 4.4Å; L464-E489 HydrophobicContact CD2-CG 3.65Å; L464-E489 HydrophobicContact CG-CG 4.29Å; K468-E489 VanDerWaalsContact CD-OE1 3.24Å; K468-E489 WeakPolarHBondContact CD-OE1 3.43Å; K468-E489 WeakPolarHBondContact CE-OE1 3.48Å; K468-E489 WeakPolarHBondContact CE-OE2 3.48Å; K468-E489 IonicContact NZ-OE1 2.75Å; K468-E489 PolarHBondContact NZ-OE1 2.67Å; K468-E489 IonicContact NZ-OE2 3.95Å; K468-E489 PolarHBondContact NZ-OE2 3.45Å; I485-E489 PolarHBondContact O-N 2.77Å; Q486-E489 WeakPolarHBondContact O-CB 3.47Å; Q486-E489 PolarHBondContact O-N 2.78Å; Q486-E489 VanDerWaalsContact O-N 3.17Å; E489-I491 PolarHBondContact O-N 3.36Å; E489-L492 PolarHBondContact O-N 3Å; E489-T493 WeakPolarHBondContact O-CB 3.35Å; E489-T493 PolarHBondContact O-N 3.01Å; E489-T493 PolarHBondContact O-OG1 3.33Å |
| 490 | D | 76.6 | Confident | 72.3 | Confident | 116 Ų | 116 | 79.8 Ų | 79.8 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 177.8 | -73.9 | -25.4 | 0 | 0 | 0 | 111.6 | Q486 E487 G494 | Q486-D490 PolarHBondContact O-N 3.37Å; E487-D490 PolarHBondContact O-N 2.93Å; D490-G494 PolarHBondContact O-N 2.78Å |
| 491 | I | 74.6 | Confident | 71.1 | Confident | 102 Ų | 102 | 78 Ų | 78 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -47.6 | 174.5 | -68.5 | 164.8 | 0 | 0 | 0 | 111 | E487 E489 G494 L495 | E487-I491 VanDerWaalsContact O-CG1 3.28Å; E487-I491 WeakPolarHBondContact O-CG1 3.21Å; E487-I491 PolarHBondContact O-N 3.45Å; E489-I491 PolarHBondContact O-N 3.36Å; I491-G494 PolarHBondContact O-N 3.33Å; I491-L495 HydrophobicContact CG2-CD1 4.22Å; I491-L495 WeakPolarHBondContact O-CG 3.31Å; I491-L495 PolarHBondContact O-N 2.93Å |
| 492 | L | 71.2 | Confident | 70 | Confident | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.105 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -176 | -164.9 | 135.8 | 0 | 0 | 0 | 111.7 | V460 E461 L464 L488 E489 G494 L495 I496 | V460-L492 HydrophobicContact CB-CD1 3.96Å; V460-L492 HydrophobicContact CG1-CD1 3.45Å; V460-L492 VanDerWaalsContact CG1-CD1 3.45Å; E461-L492 HydrophobicContact CB-CD2 3.8Å; E461-L492 HydrophobicContact CG-CD2 3.93Å; L464-L492 HydrophobicContact CD2-CB 4.45Å; L464-L492 HydrophobicContact CD2-CD1 4.48Å; L488-L492 VanDerWaalsContact O-CB 3.26Å; L488-L492 WeakPolarHBondContact O-CB 3.34Å; L488-L492 PolarHBondContact O-N 3.25Å; E489-L492 PolarHBondContact O-N 3Å; L492-G494 VanDerWaalsContact C-N 3.33Å; L492-L495 PolarHBondContact O-N 3.44Å; L492-I496 HydrophobicContact CD2-CD1 3.62Å; L492-I496 HydrophobicContact CD2-CG1 4.46Å; L492-I496 WeakPolarHBondContact O-CG1 3.26Å; L492-I496 PolarHBondContact O-N 3.29Å |
| 493 | T | 73.4 | Confident | 68.5 | Low | 84 Ų | 84 | 79.5 Ų | 79.5 | 52% | 0.515 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 170 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | E489 I496 K497 | E489-T493 WeakPolarHBondContact O-CB 3.35Å; E489-T493 PolarHBondContact O-N 3.01Å; E489-T493 PolarHBondContact O-OG1 3.33Å; T493-I496 PolarHBondContact O-N 2.94Å; T493-K497 WeakPolarHBondContact O-CB 3.46Å; T493-K497 PolarHBondContact O-N 3.38Å |
| 494 | G | 72.3 | Confident | 66.6 | Low | 26 Ų | 26 | 83.7 Ų | 83.7 | 27% | 0.268 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D490 I491 L492 K497 I498 | D490-G494 PolarHBondContact O-N 2.78Å; I491-G494 PolarHBondContact O-N 3.33Å; L492-G494 VanDerWaalsContact C-N 3.33Å; G494-K497 PolarHBondContact O-N 3.13Å; G494-I498 WeakPolarHBondContact O-CB 3.38Å; G494-I498 WeakPolarHBondContact O-CD1 3.42Å; G494-I498 VanDerWaalsContact O-CG1 3.23Å; G494-I498 WeakPolarHBondContact O-CG1 3.32Å; G494-I498 PolarHBondContact O-N 3.01Å |
| 495 | L | 68.4 | Low | 64.5 | Low | 90 Ų | 90 | 82.7 Ų | 82.7 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 175.9 | -72.1 | 169.6 | 0 | 0 | 0 | 112 | I491 L492 K497 I498 F499 | I491-L495 HydrophobicContact CG2-CD1 4.22Å; I491-L495 WeakPolarHBondContact O-CG 3.31Å; I491-L495 PolarHBondContact O-N 2.93Å; L492-L495 PolarHBondContact O-N 3.44Å; L495-K497 VanDerWaalsContact C-N 3.25Å; L495-K497 PolarHBondContact O-N 2.95Å; L495-I498 PolarHBondContact O-N 3.24Å; L495-F499 WeakPolarHBondContact O-CB 3.37Å; L495-F499 PolarHBondContact O-N 3.4Å |
| 496 | I | 68 | Low | 62.7 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60 | -38.6 | 175.4 | -70.6 | 174 | 0 | 0 | 0 | 110.7 | L492 T493 N500 | L492-I496 HydrophobicContact CD2-CD1 3.62Å; L492-I496 HydrophobicContact CD2-CG1 4.46Å; L492-I496 WeakPolarHBondContact O-CG1 3.26Å; L492-I496 PolarHBondContact O-N 3.29Å; T493-I496 PolarHBondContact O-N 2.94Å; I496-N500 VanDerWaalsContact CG2-ND2 3.29Å; I496-N500 WeakPolarHBondContact CG2-ND2 3.41Å; I496-N500 VanDerWaalsContact O-CB 3.27Å; I496-N500 WeakPolarHBondContact O-CB 3.3Å; I496-N500 PolarHBondContact O-N 2.92Å; I496-N500 PolarHBondContact O-ND2 2.79Å |
| 497 | K | 66.1 | Low | 60.8 | Low | 115 Ų | 115 | 86.6 Ų | 86.6 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.4 | -49 | 178.3 | -176.5 | 175.6 | 179.2 | -175.5 | 0 | 111.5 | T493 G494 L495 F499 N500 E501 | T493-K497 WeakPolarHBondContact O-CB 3.46Å; T493-K497 PolarHBondContact O-N 3.38Å; G494-K497 PolarHBondContact O-N 3.13Å; L495-K497 VanDerWaalsContact C-N 3.25Å; L495-K497 PolarHBondContact O-N 2.95Å; K497-F499 VanDerWaalsContact C-N 3.3Å; K497-F499 PolarHBondContact O-N 2.93Å; K497-N500 PolarHBondContact O-N 2.89Å; K497-E501 WeakPolarHBondContact CE-OE1 3.25Å; K497-E501 VanDerWaalsContact CE-OE2 3.25Å; K497-E501 WeakPolarHBondContact CE-OE2 3.48Å; K497-E501 VanDerWaalsContact CG-CD 3.47Å; K497-E501 HydrophobicContact CG-CG 4.04Å; K497-E501 WeakPolarHBondContact CG-OE2 3.18Å; K497-E501 IonicContact NZ-OE1 3.81Å; K497-E501 VanDerWaalsContact O-CB 3.28Å; K497-E501 WeakPolarHBondContact O-CB 3.33Å; K497-E501 WeakPolarHBondContact O-CG 3.39Å; K497-E501 PolarHBondContact O-N 2.97Å |
| 498 | I | 61.8 | Low | 59.1 | Low | 109 Ų | 109 | 89.2 Ų | 89.2 | 56% | 0.559 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.7 | -44.2 | 175 | -70.6 | 163.3 | 0 | 0 | 0 | 110.6 | G494 L495 N500 S502 | G494-I498 WeakPolarHBondContact O-CB 3.38Å; G494-I498 WeakPolarHBondContact O-CD1 3.42Å; G494-I498 VanDerWaalsContact O-CG1 3.23Å; G494-I498 WeakPolarHBondContact O-CG1 3.32Å; G494-I498 PolarHBondContact O-N 3.01Å; L495-I498 PolarHBondContact O-N 3.24Å; I498-N500 PolarHBondContact O-N 2.82Å; I498-S502 VanDerWaalsContact O-CB 3.25Å; I498-S502 WeakPolarHBondContact O-CB 3.5Å; I498-S502 PolarHBondContact O-N 2.87Å; I498-S502 VanDerWaalsContact O-N 3.07Å; I498-S502 PolarHBondContact O-OG 2.88Å |
| 499 | F | 57.4 | Low | 57.4 | Low | 70 Ų | 70 | 91 Ų | 91 | 31% | 0.307 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.2 | -35.3 | -178.8 | -150.9 | -92.1 | 0 | 0 | 0 | 112.9 | R450 V453 I454 L495 K497 | R450-F499 HydrophobicContact CG-CE1 4.02Å; R450-F499 HydrophobicContact CG-CZ 3.87Å; V453-F499 HydrophobicContact CG1-CE2 4.45Å; V453-F499 HydrophobicContact CG1-CZ 4.43Å; I454-F499 HydrophobicContact CD1-CD1 4.34Å; I454-F499 HydrophobicContact CD1-CE1 3.85Å; I454-F499 HydrophobicContact CG1-CD1 3.94Å; I454-F499 HydrophobicContact CG1-CE1 3.46Å; I454-F499 VanDerWaalsContact CG1-CE1 3.46Å; I454-F499 HydrophobicContact CG1-CZ 4.35Å; L495-F499 WeakPolarHBondContact O-CB 3.37Å; L495-F499 PolarHBondContact O-N 3.4Å; K497-F499 VanDerWaalsContact C-N 3.3Å; K497-F499 PolarHBondContact O-N 2.93Å |
| 500 | N | 54 | Low | 55.9 | Low | 72 Ų | 72 | 93.1 Ų | 93.1 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.5 | -45.4 | 176.1 | -80.3 | -54 | 0 | 0 | 0 | 113.3 | I496 K497 I498 S502 N503 K504 | I496-N500 VanDerWaalsContact CG2-ND2 3.29Å; I496-N500 WeakPolarHBondContact CG2-ND2 3.41Å; I496-N500 VanDerWaalsContact O-CB 3.27Å; I496-N500 WeakPolarHBondContact O-CB 3.3Å; I496-N500 PolarHBondContact O-N 2.92Å; I496-N500 PolarHBondContact O-ND2 2.79Å; K497-N500 PolarHBondContact O-N 2.89Å; I498-N500 PolarHBondContact O-N 2.82Å; N500-S502 PolarHBondContact O-N 2.87Å; N500-N503 PolarHBondContact O-N 3.49Å; N500-K504 WeakPolarHBondContact O-CG 3.28Å; N500-K504 PolarHBondContact O-N 2.87Å; N500-K504 VanDerWaalsContact O-N 3.14Å |
| 501 | E | 51.3 | Low | 54.5 | Low | 127 Ų | 127 | 94.5 Ų | 94.5 | 59% | 0.593 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.3 | -29.1 | -179.7 | -72.2 | -177.5 | 157 | 0 | 0 | 111.7 | K497 N503 | K497-E501 WeakPolarHBondContact CE-OE1 3.25Å; K497-E501 VanDerWaalsContact CE-OE2 3.25Å; K497-E501 WeakPolarHBondContact CE-OE2 3.48Å; K497-E501 VanDerWaalsContact CG-CD 3.47Å; K497-E501 HydrophobicContact CG-CG 4.04Å; K497-E501 WeakPolarHBondContact CG-OE2 3.18Å; K497-E501 IonicContact NZ-OE1 3.81Å; K497-E501 VanDerWaalsContact O-CB 3.28Å; K497-E501 WeakPolarHBondContact O-CB 3.33Å; K497-E501 WeakPolarHBondContact O-CG 3.39Å; K497-E501 PolarHBondContact O-N 2.97Å; E501-N503 PolarHBondContact O-N 3.44Å; E501-N503 VanDerWaalsContact O-N 3.12Å |
| 502 | S | 51 | Low | 53.2 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.3 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 114.5 | I498 N500 | I498-S502 VanDerWaalsContact O-CB 3.25Å; I498-S502 WeakPolarHBondContact O-CB 3.5Å; I498-S502 PolarHBondContact O-N 2.87Å; I498-S502 VanDerWaalsContact O-N 3.07Å; I498-S502 PolarHBondContact O-OG 2.88Å; N500-S502 PolarHBondContact O-N 2.87Å |
| 503 | N | 45.8 | Very low | 52 | Low | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.9 | 26.7 | -177.4 | -94.8 | -52.6 | 0 | 0 | 0 | 116.2 | R450 N500 E501 I505 | R450-N503 PolarHBondContact NH1-ND2 2.84Å; R450-N503 PolarHBondContact NH2-ND2 2.67Å; N500-N503 PolarHBondContact O-N 3.49Å; E501-N503 PolarHBondContact O-N 3.44Å; E501-N503 VanDerWaalsContact O-N 3.12Å; N503-I505 PolarHBondContact O-N 3.23Å |
| 504 | K | 38.6 | Very low | 50.7 | Low | 152 Ų | 152 | 101.1 Ų | 101.1 | 66% | 0.661 | 51% | 0.512 | S | S | * | . | trans | -77.1 | 50.4 | 174.2 | -97.2 | -176.6 | 177.8 | -175.6 | 0 | 114.1 | N500 | N500-K504 WeakPolarHBondContact O-CG 3.28Å; N500-K504 PolarHBondContact O-N 2.87Å; N500-K504 VanDerWaalsContact O-N 3.14Å | ||
| 505 | I | 35.5 | Very low | 50.1 | Low | 125 Ų | 125 | 105.4 Ų | 105.4 | 64% | 0.641 | 52% | 0.523 | S | S | * | . | trans | -119.6 | 89.3 | 153.7 | -55.6 | 178 | 0 | 0 | 0 | 104.3 | N503 L510 | N503-I505 PolarHBondContact O-N 3.23Å; I505-L510 HydrophobicContact CG2-CB 4.37Å; I505-L510 HydrophobicContact CG2-CD1 3.58Å; I505-L510 HydrophobicContact CG2-CG 3.6Å | ||
| 506 | T | 41.4 | Very low | 49.2 | Very low | 62 Ų | 62 | 107.1 Ų | 107.1 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | trans | -70.5 | 150.5 | 177.8 | 73 | 0 | 0 | 0 | 0 | 109 | E508 D509 L510 | T506-E508 PolarHBondContact O-N 2.83Å; T506-D509 WeakPolarHBondContact CB-OD2 3.3Å; T506-D509 WeakPolarHBondContact CG2-OD2 3.42Å; T506-D509 PolarHBondContact N-OD2 3.13Å; T506-D509 PolarHBondContact O-N 3Å; T506-D509 VanDerWaalsContact O-N 3.11Å; T506-D509 PolarHBondContact OG1-N 3.15Å; T506-D509 PolarHBondContact OG1-OD2 2.94Å; T506-L510 WeakPolarHBondContact O-CB 3.25Å; T506-L510 PolarHBondContact O-N 2.95Å | ||
| 507 | N | 39.3 | Very low | 48 | Very low | 132 Ų | 132 | 108.1 Ų | 108.1 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.7 | -23.5 | 174.1 | -88.2 | -27.1 | 0 | 0 | 0 | 111.9 | E511 | N507-E511 WeakPolarHBondContact O-CA 3.23Å; N507-E511 WeakPolarHBondContact O-CB 3.47Å; N507-E511 PolarHBondContact O-N 2.94Å |
| 508 | E | 42.3 | Very low | 47.1 | Very low | 158 Ų | 158 | 105.5 Ų | 105.5 | 74% | 0.738 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.4 | -38.9 | 172.7 | -65.2 | -175.1 | 165 | 0 | 0 | 112.3 | T506 L510 H512 | T506-E508 PolarHBondContact O-N 2.83Å; E508-L510 VanDerWaalsContact C-N 3.34Å; E508-H512 WeakPolarHBondContact O-CA 3.44Å; E508-H512 WeakPolarHBondContact O-CB 3.49Å; E508-H512 PolarHBondContact O-N 2.83Å |
| 509 | D | 42.4 | Very low | 46.4 | Very low | 96 Ų | 96 | 103.7 Ų | 103.7 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 170.9 | -63 | -57.8 | 0 | 0 | 0 | 110.9 | T506 A513 | T506-D509 WeakPolarHBondContact CB-OD2 3.3Å; T506-D509 WeakPolarHBondContact CG2-OD2 3.42Å; T506-D509 PolarHBondContact N-OD2 3.13Å; T506-D509 PolarHBondContact O-N 3Å; T506-D509 VanDerWaalsContact O-N 3.11Å; T506-D509 PolarHBondContact OG1-N 3.15Å; T506-D509 PolarHBondContact OG1-OD2 2.94Å; D509-A513 WeakPolarHBondContact O-CB 3.39Å; D509-A513 PolarHBondContact O-N 3.21Å |
| 510 | L | 41.7 | Very low | 45.8 | Very low | 80 Ų | 80 | 106.2 Ų | 106.2 | 42% | 0.419 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.7 | -115.4 | 170 | 0 | 0 | 0 | 111.3 | I505 T506 E508 A513 Y514 | I505-L510 HydrophobicContact CG2-CB 4.37Å; I505-L510 HydrophobicContact CG2-CD1 3.58Å; I505-L510 HydrophobicContact CG2-CG 3.6Å; T506-L510 WeakPolarHBondContact O-CB 3.25Å; T506-L510 PolarHBondContact O-N 2.95Å; E508-L510 VanDerWaalsContact C-N 3.34Å; L510-A513 PolarHBondContact O-N 3.35Å; L510-Y514 VanDerWaalsContact O-CB 3.29Å; L510-Y514 WeakPolarHBondContact O-CB 3.45Å; L510-Y514 PolarHBondContact O-N 2.85Å |
| 511 | E | 48.8 | Very low | 45.1 | Very low | 144 Ų | 144 | 107.1 Ų | 107.1 | 67% | 0.673 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -76.5 | -31.7 | 179.8 | -170.2 | 166 | -137.9 | 0 | 0 | 111.4 | N507 Y514 K515 | N507-E511 WeakPolarHBondContact O-CA 3.23Å; N507-E511 WeakPolarHBondContact O-CB 3.47Å; N507-E511 PolarHBondContact O-N 2.94Å; E511-Y514 PolarHBondContact O-N 3.04Å; E511-K515 WeakPolarHBondContact O-CA 3.23Å; E511-K515 WeakPolarHBondContact O-CB 3.47Å; E511-K515 PolarHBondContact O-N 2.99Å |
| 512 | H | 46.9 | Very low | 44.5 | Very low | 124 Ų | 124 | 103.5 Ų | 103.5 | 57% | 0.574 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.2 | -43.1 | 167.9 | -173 | -76.9 | 0 | 0 | 0 | 110.9 | E508 Y514 K515 Q516 | E508-H512 WeakPolarHBondContact O-CA 3.44Å; E508-H512 WeakPolarHBondContact O-CB 3.49Å; E508-H512 PolarHBondContact O-N 2.83Å; H512-Y514 VanDerWaalsContact C-N 3.34Å; H512-K515 PolarHBondContact O-N 3.34Å; H512-Q516 WeakPolarHBondContact O-CB 3.17Å; H512-Q516 PolarHBondContact O-N 3.25Å |
| 513 | A | 45.2 | Very low | 43.6 | Very low | 45 Ų | 45 | 106.2 Ų | 106.2 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D509 L510 S517 | D509-A513 WeakPolarHBondContact O-CB 3.39Å; D509-A513 PolarHBondContact O-N 3.21Å; L510-A513 PolarHBondContact O-N 3.35Å; A513-S517 WeakPolarHBondContact O-CB 3.4Å; A513-S517 PolarHBondContact O-N 3.29Å; A513-S517 PolarHBondContact O-OG 3.38Å |
| 514 | Y | 47.3 | Very low | 42.9 | Very low | 176 Ų | 176 | 108.1 Ų | 108.1 | 69% | 0.69 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.8 | -37.4 | 174.1 | -135.4 | -85.2 | 0 | 0 | 0 | 111.6 | L510 E511 H512 S518 | L510-Y514 VanDerWaalsContact O-CB 3.29Å; L510-Y514 WeakPolarHBondContact O-CB 3.45Å; L510-Y514 PolarHBondContact O-N 2.85Å; E511-Y514 PolarHBondContact O-N 3.04Å; H512-Y514 VanDerWaalsContact C-N 3.34Å; Y514-S518 WeakPolarHBondContact O-CA 3.42Å; Y514-S518 WeakPolarHBondContact O-CB 3.37Å; Y514-S518 PolarHBondContact O-N 2.83Å |
| 515 | K | 58.7 | Low | 42.7 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.3 | -46.8 | 178.4 | -176.8 | 61 | 179.2 | 146.1 | 0 | 110.6 | E511 H512 S517 S518 D519 | E511-K515 WeakPolarHBondContact O-CA 3.23Å; E511-K515 WeakPolarHBondContact O-CB 3.47Å; E511-K515 PolarHBondContact O-N 2.99Å; H512-K515 PolarHBondContact O-N 3.34Å; K515-S517 PolarHBondContact O-N 3.05Å; K515-S518 CarbonylContact O-C 3.6Å; K515-S518 PolarHBondContact O-N 3.25Å; K515-S518 VanDerWaalsContact O-N 3.14Å; K515-D519 WeakPolarHBondContact CE-OD1 3.4Å; K515-D519 WeakPolarHBondContact CE-OD2 3.41Å; K515-D519 IonicContact NZ-OD1 3.35Å; K515-D519 PolarHBondContact NZ-OD1 3.44Å; K515-D519 IonicContact NZ-OD2 2.67Å; K515-D519 PolarHBondContact NZ-OD2 3.12Å; K515-D519 VanDerWaalsContact O-CB 3.29Å; K515-D519 WeakPolarHBondContact O-CB 3.45Å; K515-D519 PolarHBondContact O-N 3.18Å |
| 516 | Q | 49.8 | Very low | 42.4 | Very low | 127 Ų | 127 | 105.5 Ų | 105.5 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | 174.3 | -165.8 | 171.1 | 25.3 | 0 | 0 | 111.3 | H512 F520 | H512-Q516 WeakPolarHBondContact O-CB 3.17Å; H512-Q516 PolarHBondContact O-N 3.25Å; Q516-F520 WeakPolarHBondContact O-CB 3.35Å; Q516-F520 PolarHBondContact O-N 3.45Å |
| 517 | S | 42.1 | Very low | 41.6 | Very low | 62 Ų | 62 | 109.5 Ų | 109.5 | 43% | 0.434 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.2 | -35.1 | 171.2 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | A513 K515 L521 | A513-S517 WeakPolarHBondContact O-CB 3.4Å; A513-S517 PolarHBondContact O-N 3.29Å; A513-S517 PolarHBondContact O-OG 3.38Å; K515-S517 PolarHBondContact O-N 3.05Å; S517-L521 WeakPolarHBondContact O-CB 3.49Å; S517-L521 WeakPolarHBondContact O-CD1 3.27Å; S517-L521 WeakPolarHBondContact O-CG 3.35Å; S517-L521 PolarHBondContact O-N 2.88Å |
| 518 | S | 48.1 | Very low | 41 | Very low | 60 Ų | 60 | 108.1 Ų | 108.1 | 42% | 0.42 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -77.5 | -30 | 179.5 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | Y514 K515 A522 | Y514-S518 WeakPolarHBondContact O-CA 3.42Å; Y514-S518 WeakPolarHBondContact O-CB 3.37Å; Y514-S518 PolarHBondContact O-N 2.83Å; K515-S518 CarbonylContact O-C 3.6Å; K515-S518 PolarHBondContact O-N 3.25Å; K515-S518 VanDerWaalsContact O-N 3.14Å; S518-A522 WeakPolarHBondContact O-CB 3.35Å; S518-A522 PolarHBondContact O-N 2.77Å |
| 519 | D | 47.6 | Very low | 40.2 | Very low | 70 Ų | 70 | 106.7 Ų | 106.7 | 37% | 0.374 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -79.5 | -39.8 | 176 | -67 | -17.7 | 0 | 0 | 0 | 108.8 | K515 A522 E523 | K515-D519 WeakPolarHBondContact CE-OD1 3.4Å; K515-D519 WeakPolarHBondContact CE-OD2 3.41Å; K515-D519 IonicContact NZ-OD1 3.35Å; K515-D519 PolarHBondContact NZ-OD1 3.44Å; K515-D519 IonicContact NZ-OD2 2.67Å; K515-D519 PolarHBondContact NZ-OD2 3.12Å; K515-D519 VanDerWaalsContact O-CB 3.29Å; K515-D519 WeakPolarHBondContact O-CB 3.45Å; K515-D519 PolarHBondContact O-N 3.18Å; D519-A522 WeakPolarHBondContact O-CB 3.23Å; D519-A522 PolarHBondContact O-N 2.9Å; D519-A522 VanDerWaalsContact O-N 3.15Å; D519-E523 PolarHBondContact O-N 3.15Å |
| 520 | F | 44.8 | Very low | 39.4 | Very low | 124 Ų | 124 | 107.1 Ų | 107.1 | 54% | 0.544 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -39.9 | 167.6 | -175.3 | -98.7 | 0 | 0 | 0 | 112.7 | Q516 A522 F524 | Q516-F520 WeakPolarHBondContact O-CB 3.35Å; Q516-F520 PolarHBondContact O-N 3.45Å; F520-A522 VanDerWaalsContact C-N 3.35Å; F520-F524 HydrophobicContact CE1-CD2 4.1Å; F520-F524 HydrophobicContact CE1-CE2 4.19Å; F520-F524 HydrophobicContact CE2-CE2 4.49Å; F520-F524 HydrophobicContact CZ-CD2 4.2Å; F520-F524 AromaticContact CZ-CE2 3.92Å; F520-F524 HydrophobicContact CZ-CE2 3.92Å; F520-F524 PolarHBondContact O-N 3.45Å |
| 521 | L | 38.3 | Very low | 38.6 | Very low | 91 Ų | 91 | 113 Ų | 113 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.6 | -25.7 | 171.9 | -78.1 | 166.7 | 0 | 0 | 0 | 112.4 | S517 F524 Q525 | S517-L521 WeakPolarHBondContact O-CB 3.49Å; S517-L521 WeakPolarHBondContact O-CD1 3.27Å; S517-L521 WeakPolarHBondContact O-CG 3.35Å; S517-L521 PolarHBondContact O-N 2.88Å; L521-F524 CarbonylContact O-C 3.51Å; L521-F524 PolarHBondContact O-N 2.94Å; L521-Q525 WeakPolarHBondContact O-CB 3.28Å; L521-Q525 WeakPolarHBondContact O-CG 3.44Å; L521-Q525 PolarHBondContact O-N 2.85Å |
| 522 | A | 38.6 | Very low | 37.3 | Very low | 51 Ų | 51 | 112 Ų | 112 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.2 | -42.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S518 D519 F520 F524 Q525 S526 | S518-A522 WeakPolarHBondContact O-CB 3.35Å; S518-A522 PolarHBondContact O-N 2.77Å; D519-A522 WeakPolarHBondContact O-CB 3.23Å; D519-A522 PolarHBondContact O-N 2.9Å; D519-A522 VanDerWaalsContact O-N 3.15Å; F520-A522 VanDerWaalsContact C-N 3.35Å; A522-F524 VanDerWaalsContact C-N 3.3Å; A522-F524 PolarHBondContact O-N 2.9Å; A522-Q525 PolarHBondContact O-N 3.41Å; A522-Q525 VanDerWaalsContact O-N 3.09Å; A522-S526 PolarHBondContact O-N 2.99Å; A522-S526 PolarHBondContact O-OG 3.26Å |
| 523 | E | 31.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 110.3 Ų | 110.3 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.2 | -44.4 | 168 | -79.8 | -176.8 | 138.8 | 0 | 0 | 111.1 | D519 Q525 S526 | D519-E523 PolarHBondContact O-N 3.15Å; E523-Q525 VanDerWaalsContact C-N 3.32Å; E523-Q525 PolarHBondContact O-N 2.87Å; E523-S526 PolarHBondContact O-OG 3.43Å |
| 524 | F | 32.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 117.3 Ų | 117.3 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.6 | -16.5 | 175.1 | -101.7 | -86 | 0 | 0 | 0 | 115.3 | F520 L521 A522 | F520-F524 HydrophobicContact CE1-CD2 4.1Å; F520-F524 HydrophobicContact CE1-CE2 4.19Å; F520-F524 HydrophobicContact CE2-CE2 4.49Å; F520-F524 HydrophobicContact CZ-CD2 4.2Å; F520-F524 AromaticContact CZ-CE2 3.92Å; F520-F524 HydrophobicContact CZ-CE2 3.92Å; F520-F524 PolarHBondContact O-N 3.45Å; L521-F524 CarbonylContact O-C 3.51Å; L521-F524 PolarHBondContact O-N 2.94Å; A522-F524 VanDerWaalsContact C-N 3.3Å; A522-F524 PolarHBondContact O-N 2.9Å |
| 525 | Q | 32.9 | Very low | 34.3 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -98.7 | -11.6 | 179.2 | -77.5 | 177.8 | 6.8 | 0 | 0 | 113.6 | L521 A522 E523 | L521-Q525 WeakPolarHBondContact O-CB 3.28Å; L521-Q525 WeakPolarHBondContact O-CG 3.44Å; L521-Q525 PolarHBondContact O-N 2.85Å; A522-Q525 PolarHBondContact O-N 3.41Å; A522-Q525 VanDerWaalsContact O-N 3.09Å; E523-Q525 VanDerWaalsContact C-N 3.32Å; E523-Q525 PolarHBondContact O-N 2.87Å |
| 526 | S | 29.5 | Very low | 32.8 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 54% | 0.538 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68.9 | -33.1 | 161.8 | 25.2 | 0 | 0 | 0 | 0 | 112.8 | A522 E523 S528 | A522-S526 PolarHBondContact O-N 2.99Å; A522-S526 PolarHBondContact O-OG 3.26Å; E523-S526 PolarHBondContact O-OG 3.43Å; S526-S528 PolarHBondContact O-N 3.32Å |
| 527 | D | 25.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 45.8 | -172.7 | -79.6 | -3.3 | 0 | 0 | 0 | 114 | ||
| 528 | S | 26.8 | Very low | 30.8 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.9 | 16.2 | 170.8 | -150.5 | 0 | 0 | 0 | 0 | 115.8 | S526 | S526-S528 PolarHBondContact O-N 3.32Š|
| 529 | T | 24 | Very low | 29.8 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -127.9 | 77 | 172.2 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 530 | C | 26.2 | Very low | 28.9 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | trans | -141.6 | 104.7 | 159.2 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 531 | F | 24.7 | Very low | 27.9 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -141.6 | 136.6 | 130.1 | -104.5 | -78.9 | 0 | 0 | 0 | 107.9 | ||
| 532 | D | 22.6 | Very low | 27.3 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 68.5 | 64.6 | -179 | -66.8 | -34.1 | 0 | 0 | 0 | 117.5 | K383 | K383-D532 IonicContact NZ-OD1 3.58Å; K383-D532 PolarHBondContact NZ-OD1 2.84Å |
| 533 | A | 26.2 | Very low | 26.7 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -149.8 | 87.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E535 | A533-E535 PolarHBondContact O-N 2.87Š| ||
| 534 | E | 23.1 | Very low | 26.3 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 104.6 | 166.1 | -70.8 | 171.9 | 119 | 0 | 0 | 109.4 | ||||
| 535 | E | 26 | Very low | 25.8 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 168.4 | 89.8 | 144.2 | -176.5 | 165.7 | -146.2 | 0 | 0 | 109.7 | A533 | A533-E535 PolarHBondContact O-N 2.87Š| ||
| 536 | V | 27.7 | Very low | 25.6 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -171.5 | 94.2 | 142.6 | 151.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 537 | V | 23.2 | Very low | 25.2 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -104.8 | 151.8 | 166.6 | 171.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 538 | E | 26.1 | Very low | 25.3 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 64.8 | 89.3 | -177 | -69.3 | 179.8 | 159.1 | 0 | 0 | 116.7 | ||
| 539 | K | 27.5 | Very low | 25.2 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | S | Bend | 171.7 | 76.1 | 123.4 | -89.8 | 155.8 | -171.9 | 169.1 | 0 | 113.1 | |||
| 540 | T | 29.3 | Very low | 25.3 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 96% | 0.957 | 81% | 0.809 | S | S | * | * | trans | -171.6 | 47.7 | 150.1 | 20.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 541 | A | 24.2 | Very low | 25.4 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -98.3 | 146.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 542 | L | 24.4 | Very low | 25.5 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | 83.8 | 88 | -172.5 | -51.3 | 168.4 | 0 | 0 | 0 | 115.6 | ||||
| 543 | N | 26.7 | Very low | 25.8 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | 175.9 | 140.1 | 125 | -86.3 | -13.2 | 0 | 0 | 0 | 109.1 | |||||
| 544 | I | 23.5 | Very low | 26.1 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 65% | 0.651 | 81% | 0.81 | S | S | * | * | cis | -153.1 | 145 | -12.7 | -116.8 | 158.8 | 0 | 0 | 0 | 106.4 | T546 | I544-T546 HydrophobicContact CG2-CG2 3.86Š| ||
| 545 | H | 22.1 | Very low | 26.4 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 89% | 0.889 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 124 | 164.1 | -78 | -89.5 | 0 | 0 | 0 | 109.2 | ||||
| 546 | T | 28.3 | Very low | 26.5 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -128.5 | 103.9 | 160.3 | 38.6 | 0 | 0 | 0 | 0 | 110 | I544 | I544-T546 HydrophobicContact CG2-CG2 3.86Š| ||
| 547 | E | 21.5 | Very low | 26.5 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -61.7 | 125.3 | 160.3 | -59.5 | 170.1 | 137.9 | 0 | 0 | 108.3 | ||||
| 548 | I | 28 | Very low | 26.8 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -133 | 129.4 | 165.1 | -64.2 | -177.1 | 0 | 0 | 0 | 108.3 | ||||
| 549 | D | 24.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -31 | 129.8 | -163.6 | -91.1 | -65 | 0 | 0 | 0 | 120.2 | N551 | D549-N551 VanDerWaalsContact C-N 3.32Å; D549-N551 PolarHBondContact O-N 2.81Å; D549-N551 VanDerWaalsContact O-N 3.12Å | ||
| 550 | V | 26.3 | Very low | 26.8 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -80.2 | 76.5 | 159.6 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 551 | N | 27.8 | Very low | 26.6 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -165 | 125.2 | 159 | -96.6 | -40.4 | 0 | 0 | 0 | 112.3 | D549 | D549-N551 VanDerWaalsContact C-N 3.32Å; D549-N551 PolarHBondContact O-N 2.81Å; D549-N551 VanDerWaalsContact O-N 3.12Å | ||
| 552 | N | 26.7 | Very low | 26.7 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 95 | 63.5 | 176.3 | -57.1 | -32.2 | 0 | 0 | 0 | 118.6 | ||
| 553 | N | 29.2 | Very low | 26.8 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | -162.1 | 64.5 | 129 | -116.2 | -21.4 | 0 | 0 | 0 | 114.2 | N555 | N553-N555 PolarHBondContact O-N 3.21Š| |||
| 554 | A | 31.5 | Very low | 26.9 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 9.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 555 | N | 30.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 19 | -170.4 | -109.3 | 10.4 | 0 | 0 | 0 | 115.2 | N553 | N553-N555 PolarHBondContact O-N 3.21Š|
| 556 | C | 27.7 | Very low | 27.2 | Very low | 90 Ų | 90 | 132 Ų | 132 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -127.5 | 0.7 | 172.6 | -80.9 | 0 | 0 | 0 | 0 | 115 | S558 | C556-S558 VanDerWaalsContact C-N 3.29Å; C556-S558 PolarHBondContact O-N 3.09Å |
| 557 | I | 28.3 | Very low | 27.2 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -17.3 | -178 | -62.9 | 178.3 | 0 | 0 | 0 | 112.3 | ||
| 558 | S | 28.3 | Very low | 27.4 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -17.1 | 178.7 | 45.4 | 0 | 0 | 0 | 0 | 115.5 | C556 | C556-S558 VanDerWaalsContact C-N 3.29Å; C556-S558 PolarHBondContact O-N 3.09Å |
| 559 | N | 26.4 | Very low | 27.5 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -108.8 | 1.1 | -175 | -77.9 | -5.4 | 0 | 0 | 0 | 115 | S561 S562 | N559-S561 PolarHBondContact O-N 3.46Å; N559-S562 PolarHBondContact O-N 2.91Å |
| 560 | L | 26.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 0.9 | 178.9 | -155.5 | 65.8 | 0 | 0 | 0 | 113.9 | S562 | L560-S562 VanDerWaalsContact C-N 3.33Š|
| 561 | S | 25.6 | Very low | 28.2 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -13.5 | 172.2 | 55.6 | 0 | 0 | 0 | 0 | 114 | N559 | N559-S561 PolarHBondContact O-N 3.46Š|
| 562 | S | 27.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -103.9 | 3.9 | -171.8 | -61.2 | 0 | 0 | 0 | 0 | 115.2 | N559 L560 | N559-S562 PolarHBondContact O-N 2.91Å; L560-S562 VanDerWaalsContact C-N 3.33Å |
| 563 | I | 25.9 | Very low | 30.3 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | trans | -111.8 | 61.2 | 171.6 | -46.7 | -179.3 | 0 | 0 | 0 | 109.4 | T565 | I563-T565 PolarHBondContact O-N 3.35Š| ||
| 564 | K | 28.3 | Very low | 31.6 | Very low | 198 Ų | 198 | 121.3 Ų | 121.3 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | trans | -73.9 | 103.7 | 149.7 | -83.5 | -173.5 | 176.5 | 179 | 0 | 106.4 | T566 | K564-T566 PolarHBondContact O-N 2.84Š| ||
| 565 | T | 27.7 | Very low | 33.1 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 69% | 0.693 | 68% | 0.675 | S | S | * | * | trans | -46 | 128.1 | 178.9 | 31.2 | 0 | 0 | 0 | 0 | 111.4 | I563 A567 | I563-T565 PolarHBondContact O-N 3.35Å; T565-A567 PolarHBondContact O-N 3.02Å | ||
| 566 | T | 25.6 | Very low | 34.9 | Very low | 142 Ų | 142 | 116.8 Ų | 116.8 | 87% | 0.871 | 64% | 0.638 | S | S | * | * | trans | -66.9 | 58.9 | 161.2 | 18.4 | 0 | 0 | 0 | 0 | 110.2 | K564 Q568 | K564-T566 PolarHBondContact O-N 2.84Å; T566-Q568 PolarHBondContact O-N 2.9Å | ||
| 567 | A | 27.5 | Very low | 37 | Very low | 78 Ų | 78 | 114.3 Ų | 114.3 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | trans | -66 | 92.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | T565 P569 | T565-A567 PolarHBondContact O-N 3.02Å; A567-P569 WeakPolarHBondContact O-CD 3.43Å | ||
| 568 | Q | 24.9 | Very low | 39.3 | Very low | 172 Ų | 172 | 111.4 Ų | 111.4 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -50.4 | 116.2 | 165.8 | -72.4 | -174.6 | -14.9 | 0 | 0 | 106.9 | T566 Q570 | T566-Q568 PolarHBondContact O-N 2.9Å; Q568-Q570 PolarHBondContact O-N 3.46Å | ||
| 569 | P | 31 | Very low | 41.6 | Very low | 112 Ų | 112 | 108 Ų | 108 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | trans | -64.2 | 111.9 | 177.7 | -15.6 | 29.3 | 0 | 0 | 0 | 106.1 | A567 L571 | A567-P569 WeakPolarHBondContact O-CD 3.43Å; P569-L571 PolarHBondContact O-N 2.65Å | ||
| 570 | Q | 31.4 | Very low | 44 | Very low | 177 Ų | 177 | 106.5 Ų | 106.5 | 83% | 0.827 | 56% | 0.564 | S | S | * | * | trans | -58.1 | 115.5 | 179.3 | -70.8 | -167.2 | -11.7 | 0 | 0 | 107.6 | Q568 V572 | Q568-Q570 PolarHBondContact O-N 3.46Å; Q570-V572 WeakPolarHBondContact O-CG2 3.35Å; Q570-V572 PolarHBondContact O-N 3.13Å | ||
| 571 | L | 34 | Very low | 46.5 | Very low | 140 Ų | 140 | 102.5 Ų | 102.5 | 73% | 0.733 | 55% | 0.552 | S | S | * | * | trans | -42.5 | 100.5 | -179.5 | -104.8 | 155.3 | 0 | 0 | 0 | 109.6 | D151 P569 D573 | D151-L571 HydrophobicContact CB-CD2 4.29Å; P569-L571 PolarHBondContact O-N 2.65Å; L571-D573 VanDerWaalsContact C-N 3.27Å; L571-D573 PolarHBondContact O-N 2.83Å | ||
| 572 | V | 39.2 | Very low | 49.3 | Very low | 87 Ų | 87 | 102.9 Ų | 102.9 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | trans | -76.8 | 89.6 | -172.1 | -175.7 | 0 | 0 | 0 | 0 | 107 | Q570 R574 | Q570-V572 WeakPolarHBondContact O-CG2 3.35Å; Q570-V572 PolarHBondContact O-N 3.13Å; V572-R574 VanDerWaalsContact C-N 3.33Å; V572-R574 WeakPolarHBondContact O-CA 3.44Å; V572-R574 PolarHBondContact O-N 3.25Å | ||
| 573 | D | 60.2 | Low | 52 | Low | 51 Ų | 51 | 103.6 Ų | 103.6 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | trans | -35.3 | 95.4 | 169.1 | 152.4 | 37.7 | 0 | 0 | 0 | 110 | L571 G576 S577 R580 W728 | L571-D573 VanDerWaalsContact C-N 3.27Å; L571-D573 PolarHBondContact O-N 2.83Å; D573-G576 VanDerWaalsContact OD1-CA 3.3Å; D573-G576 WeakPolarHBondContact OD1-CA 3.15Å; D573-G576 PolarHBondContact OD1-N 3.38Å; D573-G576 VanDerWaalsContact OD2-CA 3.25Å; D573-G576 WeakPolarHBondContact OD2-CA 3.41Å; D573-S577 WeakPolarHBondContact O-CB 3.25Å; D573-S577 PolarHBondContact O-N 3.06Å; D573-S577 PolarHBondContact O-OG 3.24Å; D573-R580 PolarHBondContact O-NH2 3.01Å; D573-R580 IonicContact OD2-CZ 3.08Å; D573-R580 IonicContact OD2-NH1 2.69Å; D573-R580 PolarHBondContact OD2-NH1 3.4Å; D573-R580 IonicContact OD2-NH2 3.8Å; D573-R580 PolarHBondContact OD2-NH2 2.8Å; D573-W728 VanDerWaalsContact CG-CH2 3.44Å; D573-W728 WeakPolarHBondContact OD1-CH2 3.29Å; D573-W728 VanDerWaalsContact OD1-CZ2 3.31Å; D573-W728 WeakPolarHBondContact OD1-CZ2 3.26Å | ||
| 574 | R | 56.5 | Low | 54.8 | Low | 120 Ų | 120 | 101.8 Ų | 101.8 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.7 | -39.1 | -163.4 | -169.7 | -178.1 | -170.6 | -178.7 | 8.6 | 111.1 | G169 V572 S577 E578 | G169-R574 VanDerWaalsContact CA-NH2 3.33Å; G169-R574 PolarHBondContact O-NH1 3.06Å; G169-R574 PolarHBondContact O-NH2 3.46Å; V572-R574 VanDerWaalsContact C-N 3.33Å; V572-R574 WeakPolarHBondContact O-CA 3.44Å; V572-R574 PolarHBondContact O-N 3.25Å; R574-S577 PolarHBondContact O-N 3.49Å; R574-E578 WeakPolarHBondContact O-CB 3.43Å; R574-E578 PolarHBondContact O-N 3.4Å |
| 575 | W | 61.9 | Low | 57.6 | Low | 145 Ų | 145 | 96.4 Ų | 96.4 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.2 | -43.5 | 179.8 | -142.2 | 68.6 | 0 | 0 | 0 | 110.8 | S577 E578 L579 W728 | W575-S577 VanDerWaalsContact C-N 3.29Å; W575-S577 PolarHBondContact O-N 3.44Å; W575-E578 PolarHBondContact O-N 2.89Å; W575-L579 HydrophobicContact CD2-CD1 3.8Å; W575-L579 HydrophobicContact CE3-CD1 3.55Å; W575-L579 HydrophobicContact CE3-CD2 4.45Å; W575-L579 HydrophobicContact CG-CD1 4.39Å; W575-L579 HydrophobicContact CH2-CD1 4.43Å; W575-L579 HydrophobicContact CZ3-CD1 3.9Å; W575-L579 HydrophobicContact CZ3-CD2 4.31Å; W575-L579 WeakPolarHBondContact O-CD1 3.4Å; W575-L579 PolarHBondContact O-N 3.31Å; W575-W728 HydrophobicContact CB-CZ2 4.44Å; W575-W728 HydrophobicContact CE3-CB 4.45Å; W575-W728 AromaticContact CE3-CD1 3.21Å; W575-W728 HydrophobicContact CE3-CD2 4.12Å; W575-W728 AromaticContact CE3-CE2 3.98Å; W575-W728 AromaticContact CE3-CG 3.67Å; W575-W728 HydrophobicContact CE3-CG 3.67Å; W575-W728 AromaticContact CE3-NE1 3.35Å; W575-W728 VanDerWaalsContact CE3-NE1 3.35Å; W575-W728 HydrophobicContact CZ3-CB 4.07Å; W575-W728 AromaticContact CZ3-CD1 3.32Å; W575-W728 AromaticContact CZ3-CG 3.72Å; W575-W728 HydrophobicContact CZ3-CG 3.72Å; W575-W728 AromaticContact CZ3-NE1 3.96Å |
| 576 | G | 69.9 | Low | 60.5 | Low | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65.4 | -31.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D573 L579 R580 | D573-G576 VanDerWaalsContact OD1-CA 3.3Å; D573-G576 WeakPolarHBondContact OD1-CA 3.15Å; D573-G576 PolarHBondContact OD1-N 3.38Å; D573-G576 VanDerWaalsContact OD2-CA 3.25Å; D573-G576 WeakPolarHBondContact OD2-CA 3.41Å; G576-L579 PolarHBondContact O-N 3.07Å; G576-R580 VanDerWaalsContact O-CB 3.3Å; G576-R580 WeakPolarHBondContact O-CB 3.46Å; G576-R580 WeakPolarHBondContact O-CG 3.03Å; G576-R580 PolarHBondContact O-N 3.39Å; G576-R580 PolarHBondContact O-NE 3.37Å |
| 577 | S | 71.5 | Confident | 63.5 | Low | 38 Ų | 38 | 89.2 Ų | 89.2 | 27% | 0.266 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 171 | -77.3 | 0 | 0 | 0 | 0 | 112.1 | D573 R574 W575 R580 A581 | D573-S577 WeakPolarHBondContact O-CB 3.25Å; D573-S577 PolarHBondContact O-N 3.06Å; D573-S577 PolarHBondContact O-OG 3.24Å; R574-S577 PolarHBondContact O-N 3.49Å; W575-S577 VanDerWaalsContact C-N 3.29Å; W575-S577 PolarHBondContact O-N 3.44Å; S577-R580 PolarHBondContact O-N 3.04Å; S577-R580 PolarHBondContact OG-NH2 3.34Å; S577-A581 VanDerWaalsContact O-CB 3.25Å; S577-A581 WeakPolarHBondContact O-CB 3.33Å; S577-A581 PolarHBondContact O-N 3.13Å |
| 578 | E | 75.1 | Confident | 66.5 | Low | 84 Ų | 84 | 90.1 Ų | 90.1 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 172.2 | -170.7 | -176.9 | 161.1 | 0 | 0 | 111.1 | R574 W575 R580 A581 R582 | R574-E578 WeakPolarHBondContact O-CB 3.43Å; R574-E578 PolarHBondContact O-N 3.4Å; W575-E578 PolarHBondContact O-N 2.89Å; E578-R580 VanDerWaalsContact C-N 3.35Å; E578-R580 PolarHBondContact O-N 2.92Å; E578-A581 PolarHBondContact O-N 3.24Å; E578-R582 HydrophobicContact CG-CG 4.41Å; E578-R582 WeakPolarHBondContact O-CB 3.46Å; E578-R582 VanDerWaalsContact O-CG 3.3Å; E578-R582 WeakPolarHBondContact O-CG 3.41Å; E578-R582 PolarHBondContact O-N 3.02Å |
| 579 | L | 77.1 | Confident | 69.7 | Low | 18 Ų | 18 | 86.8 Ų | 86.8 | 9% | 0.094 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 175 | -88.2 | 76.6 | 0 | 0 | 0 | 112 | W575 G576 R583 A724 Y725 | W575-L579 HydrophobicContact CD2-CD1 3.8Å; W575-L579 HydrophobicContact CE3-CD1 3.55Å; W575-L579 HydrophobicContact CE3-CD2 4.45Å; W575-L579 HydrophobicContact CG-CD1 4.39Å; W575-L579 HydrophobicContact CH2-CD1 4.43Å; W575-L579 HydrophobicContact CZ3-CD1 3.9Å; W575-L579 HydrophobicContact CZ3-CD2 4.31Å; W575-L579 WeakPolarHBondContact O-CD1 3.4Å; W575-L579 PolarHBondContact O-N 3.31Å; G576-L579 PolarHBondContact O-N 3.07Å; L579-R583 WeakPolarHBondContact O-CB 3.32Å; L579-R583 PolarHBondContact O-N 3.22Å; L579-A724 HydrophobicContact CD2-CB 4.35Å; L579-Y725 HydrophobicContact CB-CD2 3.83Å; L579-Y725 HydrophobicContact CD2-CD2 4.08Å |
| 580 | R | 77.5 | Confident | 72.6 | Confident | 92 Ų | 92 | 82.4 Ų | 82.4 | 35% | 0.347 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 171.3 | -77.2 | 179.6 | -67.4 | -93.4 | 5.1 | 111 | D573 G576 S577 E578 R583 L584 Y725 | D573-R580 PolarHBondContact O-NH2 3.01Å; D573-R580 IonicContact OD2-CZ 3.08Å; D573-R580 IonicContact OD2-NH1 2.69Å; D573-R580 PolarHBondContact OD2-NH1 3.4Å; D573-R580 IonicContact OD2-NH2 3.8Å; D573-R580 PolarHBondContact OD2-NH2 2.8Å; G576-R580 VanDerWaalsContact O-CB 3.3Å; G576-R580 WeakPolarHBondContact O-CB 3.46Å; G576-R580 WeakPolarHBondContact O-CG 3.03Å; G576-R580 PolarHBondContact O-N 3.39Å; G576-R580 PolarHBondContact O-NE 3.37Å; S577-R580 PolarHBondContact O-N 3.04Å; S577-R580 PolarHBondContact OG-NH2 3.34Å; E578-R580 VanDerWaalsContact C-N 3.35Å; E578-R580 PolarHBondContact O-N 2.92Å; R580-R583 PolarHBondContact O-N 3Å; R580-L584 WeakPolarHBondContact O-CB 3.47Å; R580-L584 PolarHBondContact O-N 3.03Å; R580-Y725 HydrophobicContact CG-CE2 4.32Å; R580-Y725 PolarHBondContact NH1-OH 3.35Å |
| 581 | A | 78.4 | Confident | 75.4 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.9 | -46 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | S577 E578 R583 L584 E585 | S577-A581 VanDerWaalsContact O-CB 3.25Å; S577-A581 WeakPolarHBondContact O-CB 3.33Å; S577-A581 PolarHBondContact O-N 3.13Å; E578-A581 PolarHBondContact O-N 3.24Å; A581-R583 PolarHBondContact O-N 2.82Å; A581-L584 WeakPolarHBondContact O-CB 3.48Å; A581-L584 PolarHBondContact O-N 3.03Å; A581-E585 WeakPolarHBondContact O-CB 3.44Å; A581-E585 PolarHBondContact O-N 3.32Å |
| 582 | R | 84 | Confident | 78.3 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.3 | -72.7 | 175.6 | 59.8 | 154.3 | 1.1 | 112.1 | E578 L584 E585 C586 E721 | E578-R582 HydrophobicContact CG-CG 4.41Å; E578-R582 WeakPolarHBondContact O-CB 3.46Å; E578-R582 VanDerWaalsContact O-CG 3.3Å; E578-R582 WeakPolarHBondContact O-CG 3.41Å; E578-R582 PolarHBondContact O-N 3.02Å; R582-L584 VanDerWaalsContact C-N 3.31Å; R582-L584 PolarHBondContact O-N 3.4Å; R582-E585 PolarHBondContact O-N 2.94Å; R582-C586 WeakPolarHBondContact O-CB 3.32Å; R582-C586 PolarHBondContact O-N 3.49Å; R582-C586 PolarHBondContact O-SG 3.42Å; R582-C586 VanDerWaalsContact O-SG 3.34Å; R582-E721 IonicContact CZ-OE1 3.35Å; R582-E721 VanDerWaalsContact CZ-OE1 3.3Å; R582-E721 IonicContact NE-OE1 2.67Å; R582-E721 PolarHBondContact NE-OE1 3.27Å; R582-E721 IonicContact NH2-OE1 3.21Å; R582-E721 PolarHBondContact NH2-OE1 3.26Å |
| 583 | R | 84 | Confident | 80.9 | Confident | 117 Ų | 117 | 72.6 Ų | 72.6 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 174.3 | -178.6 | -177.1 | 161.3 | -147 | -9.7 | 111.9 | L579 R580 A581 K587 L718 | L579-R583 WeakPolarHBondContact O-CB 3.32Å; L579-R583 PolarHBondContact O-N 3.22Å; R580-R583 PolarHBondContact O-N 3Å; A581-R583 PolarHBondContact O-N 2.82Å; R583-K587 PolarHBondContact O-N 3.39Å; R583-K587 VanDerWaalsContact O-N 3.14Å; R583-L718 HydrophobicContact CB-CD1 4.36Å; R583-L718 HydrophobicContact CG-CD1 3.62Å; R583-L718 VanDerWaalsContact O-CD1 3.29Å; R583-L718 WeakPolarHBondContact O-CD1 3.2Å |
| 584 | L | 84.8 | Confident | 82.4 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 174.6 | -178.2 | 64.1 | 0 | 0 | 0 | 111.7 | R580 A581 R582 K587 Q588 | R580-L584 WeakPolarHBondContact O-CB 3.47Å; R580-L584 PolarHBondContact O-N 3.03Å; A581-L584 WeakPolarHBondContact O-CB 3.48Å; A581-L584 PolarHBondContact O-N 3.03Å; R582-L584 VanDerWaalsContact C-N 3.31Å; R582-L584 PolarHBondContact O-N 3.4Å; L584-K587 WeakPolarHBondContact O-CB 3.47Å; L584-K587 PolarHBondContact O-N 3.46Å; L584-K587 VanDerWaalsContact O-N 3.12Å; L584-Q588 WeakPolarHBondContact O-CG 3.36Å; L584-Q588 PolarHBondContact O-N 3.42Å |
| 585 | E | 87.3 | Confident | 84.1 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 178.1 | -165.9 | -164.6 | -158.1 | 0 | 0 | 111.3 | A581 R582 K587 Q588 R589 | A581-E585 WeakPolarHBondContact O-CB 3.44Å; A581-E585 PolarHBondContact O-N 3.32Å; R582-E585 PolarHBondContact O-N 2.94Å; E585-K587 VanDerWaalsContact C-N 3.33Å; E585-K587 PolarHBondContact O-N 2.87Å; E585-Q588 PolarHBondContact O-N 2.62Å; E585-R589 WeakPolarHBondContact O-CB 3.24Å; E585-R589 VanDerWaalsContact O-CG 3.31Å; E585-R589 WeakPolarHBondContact O-CG 3.44Å; E585-R589 PolarHBondContact O-N 2.88Å; E585-R589 IonicContact OE1-CZ 2.73Å; E585-R589 IonicContact OE1-NH1 2.68Å; E585-R589 IonicContact OE1-NH2 3.52Å; E585-R589 PolarHBondContact OE1-NH2 2.91Å; E585-R589 IonicContact OE2-CZ 3.64Å; E585-R589 IonicContact OE2-NH1 2.95Å; E585-R589 PolarHBondContact OE2-NH1 3.3Å; E585-R589 IonicContact OE2-NH2 3.74Å; E585-R589 PolarHBondContact OE2-NH2 2.86Å |
| 586 | C | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 170.9 | -76.4 | 0 | 0 | 0 | 0 | 112.1 | R582 I590 Q717 L718 E721 | R582-C586 WeakPolarHBondContact O-CB 3.32Å; R582-C586 PolarHBondContact O-N 3.49Å; R582-C586 PolarHBondContact O-SG 3.42Å; R582-C586 VanDerWaalsContact O-SG 3.34Å; C586-I590 WeakPolarHBondContact O-CD1 3.11Å; C586-I590 VanDerWaalsContact O-CG1 3.29Å; C586-I590 WeakPolarHBondContact O-CG1 3.15Å; C586-I590 PolarHBondContact O-N 2.89Å; C586-I590 VanDerWaalsContact O-N 3.14Å; C586-Q717 VanDerWaalsContact SG-CD 3.58Å; C586-Q717 PolarHBondContact SG-NE2 3.36Å; C586-L718 HydrophobicContact CB-CB 4.27Å; C586-L718 HydrophobicContact CB-CD1 3.91Å; C586-E721 PolarHBondContact SG-OE2 3.01Å |
| 587 | K | 90 | Very high | 86.8 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -47.5 | 175.2 | -174.4 | 176.8 | -176.4 | -82.2 | 0 | 111.8 | R583 L584 E585 R589 I590 E591 | R583-K587 PolarHBondContact O-N 3.39Å; R583-K587 VanDerWaalsContact O-N 3.14Å; L584-K587 WeakPolarHBondContact O-CB 3.47Å; L584-K587 PolarHBondContact O-N 3.46Å; L584-K587 VanDerWaalsContact O-N 3.12Å; E585-K587 VanDerWaalsContact C-N 3.33Å; E585-K587 PolarHBondContact O-N 2.87Å; K587-R589 VanDerWaalsContact C-N 3.33Å; K587-R589 PolarHBondContact O-N 2.88Å; K587-I590 WeakPolarHBondContact O-CB 3.31Å; K587-I590 PolarHBondContact O-N 3.22Å; K587-I590 VanDerWaalsContact O-N 3.14Å; K587-E591 WeakPolarHBondContact CE-OE1 3.35Å; K587-E591 WeakPolarHBondContact CG-OE1 2.92Å; K587-E591 IonicContact NZ-OE1 2.66Å; K587-E591 PolarHBondContact NZ-OE1 2.56Å; K587-E591 WeakPolarHBondContact O-CG 3.4Å; K587-E591 PolarHBondContact O-N 2.66Å |
| 588 | Q | 90.6 | Very high | 87.8 | Confident | 96 Ų | 96 | 71 Ų | 71 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.5 | -72.5 | 172.7 | -17.2 | 0 | 0 | 112.2 | L584 E585 E591 T592 | L584-Q588 WeakPolarHBondContact O-CG 3.36Å; L584-Q588 PolarHBondContact O-N 3.42Å; E585-Q588 PolarHBondContact O-N 2.62Å; Q588-E591 PolarHBondContact O-N 2.66Å; Q588-T592 WeakPolarHBondContact O-CB 3.29Å; Q588-T592 PolarHBondContact O-N 3.22Å; Q588-T592 PolarHBondContact O-OG1 3.25Å |
| 589 | R | 91.4 | Very high | 88.7 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 172.9 | -78.9 | 179.1 | 178.9 | 116.2 | 8.7 | 111.9 | E585 K587 T592 I593 | E585-R589 WeakPolarHBondContact O-CB 3.24Å; E585-R589 VanDerWaalsContact O-CG 3.31Å; E585-R589 WeakPolarHBondContact O-CG 3.44Å; E585-R589 PolarHBondContact O-N 2.88Å; E585-R589 IonicContact OE1-CZ 2.73Å; E585-R589 IonicContact OE1-NH1 2.68Å; E585-R589 IonicContact OE1-NH2 3.52Å; E585-R589 PolarHBondContact OE1-NH2 2.91Å; E585-R589 IonicContact OE2-CZ 3.64Å; E585-R589 IonicContact OE2-NH1 2.95Å; E585-R589 PolarHBondContact OE2-NH1 3.3Å; E585-R589 IonicContact OE2-NH2 3.74Å; E585-R589 PolarHBondContact OE2-NH2 2.86Å; K587-R589 VanDerWaalsContact C-N 3.33Å; K587-R589 PolarHBondContact O-N 2.88Å; R589-T592 PolarHBondContact O-N 2.78Å; R589-I593 WeakPolarHBondContact O-CB 3.21Å; R589-I593 WeakPolarHBondContact O-CD1 3.47Å; R589-I593 WeakPolarHBondContact O-CG1 3.17Å; R589-I593 PolarHBondContact O-N 2.88Å |
| 590 | I | 92 | Very high | 89.5 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 176 | -67.7 | 161.6 | 0 | 0 | 0 | 109.9 | C586 K587 T592 I593 E594 M711 A715 L718 | C586-I590 WeakPolarHBondContact O-CD1 3.11Å; C586-I590 VanDerWaalsContact O-CG1 3.29Å; C586-I590 WeakPolarHBondContact O-CG1 3.15Å; C586-I590 PolarHBondContact O-N 2.89Å; C586-I590 VanDerWaalsContact O-N 3.14Å; K587-I590 WeakPolarHBondContact O-CB 3.31Å; K587-I590 PolarHBondContact O-N 3.22Å; K587-I590 VanDerWaalsContact O-N 3.14Å; I590-T592 VanDerWaalsContact C-N 3.3Å; I590-T592 PolarHBondContact O-N 2.9Å; I590-I593 PolarHBondContact O-N 2.84Å; I590-E594 HydrophobicContact CG2-CG 4.38Å; I590-E594 WeakPolarHBondContact O-CG 3.32Å; I590-E594 PolarHBondContact O-N 3.03Å; I590-M711 HydrophobicContact CG2-CG 4.21Å; I590-A715 HydrophobicContact CD1-CB 4.23Å; I590-L718 HydrophobicContact CD1-CB 4.48Å; I590-L718 HydrophobicContact CD1-CD2 3.95Å |
| 591 | E | 90.7 | Very high | 90.1 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 178.6 | -70.4 | 164.8 | 179.2 | 0 | 0 | 112.2 | K587 Q588 E594 A595 | K587-E591 WeakPolarHBondContact CE-OE1 3.35Å; K587-E591 WeakPolarHBondContact CG-OE1 2.92Å; K587-E591 IonicContact NZ-OE1 2.66Å; K587-E591 PolarHBondContact NZ-OE1 2.56Å; K587-E591 WeakPolarHBondContact O-CG 3.4Å; K587-E591 PolarHBondContact O-N 2.66Å; Q588-E591 PolarHBondContact O-N 2.66Å; E591-E594 PolarHBondContact O-N 3.47Å; E591-A595 WeakPolarHBondContact O-CB 3.28Å; E591-A595 PolarHBondContact O-N 2.92Å |
| 592 | T | 93.4 | Very high | 90.8 | Very high | 89 Ų | 89 | 76.2 Ų | 76.2 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | Q588 R589 I590 A595 T596 | Q588-T592 WeakPolarHBondContact O-CB 3.29Å; Q588-T592 PolarHBondContact O-N 3.22Å; Q588-T592 PolarHBondContact O-OG1 3.25Å; R589-T592 PolarHBondContact O-N 2.78Å; I590-T592 VanDerWaalsContact C-N 3.3Å; I590-T592 PolarHBondContact O-N 2.9Å; T592-A595 PolarHBondContact O-N 2.8Å; T592-T596 PolarHBondContact O-N 2.82Å; T592-T596 PolarHBondContact O-OG1 2.87Å |
| 593 | I | 93.5 | Very high | 91.2 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.1 | -68.9 | 164.2 | 0 | 0 | 0 | 110.2 | R589 I590 T596 I597 L707 M711 | R589-I593 WeakPolarHBondContact O-CB 3.21Å; R589-I593 WeakPolarHBondContact O-CD1 3.47Å; R589-I593 WeakPolarHBondContact O-CG1 3.17Å; R589-I593 PolarHBondContact O-N 2.88Å; I590-I593 PolarHBondContact O-N 2.84Å; I593-T596 PolarHBondContact O-N 2.83Å; I593-I597 HydrophobicContact CG2-CD1 3.76Å; I593-I597 HydrophobicContact CG2-CG1 4.36Å; I593-I597 WeakPolarHBondContact O-CB 3.3Å; I593-I597 VanDerWaalsContact O-CG1 3.28Å; I593-I597 WeakPolarHBondContact O-CG1 3.24Å; I593-I597 PolarHBondContact O-N 2.89Å; I593-L707 HydrophobicContact CG2-CB 4.21Å; I593-L707 HydrophobicContact CG2-CD2 4.37Å; I593-L707 WeakPolarHBondContact CG2-O 3.47Å; I593-M711 HydrophobicContact CG2-CB 3.84Å; I593-M711 HydrophobicContact CG2-CG 4.36Å |
| 594 | E | 91.7 | Very high | 91.6 | Very high | 67 Ų | 67 | 70.2 Ų | 70.2 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.1 | -74.9 | -178.3 | -171.7 | 0 | 0 | 112.8 | I590 E591 T596 I597 R598 M711 | I590-E594 HydrophobicContact CG2-CG 4.38Å; I590-E594 WeakPolarHBondContact O-CG 3.32Å; I590-E594 PolarHBondContact O-N 3.03Å; E591-E594 PolarHBondContact O-N 3.47Å; E594-T596 VanDerWaalsContact C-N 3.34Å; E594-I597 PolarHBondContact O-N 3.24Å; E594-R598 WeakPolarHBondContact O-CB 3.47Å; E594-R598 VanDerWaalsContact O-CG 3.31Å; E594-R598 WeakPolarHBondContact O-CG 3.25Å; E594-R598 PolarHBondContact O-N 3.21Å; E594-R598 PolarHBondContact O-NE 2.84Å; E594-R598 IonicContact OE2-NH2 2.66Å; E594-R598 PolarHBondContact OE2-NH2 3.19Å; E594-M711 HydrophobicContact CG-SD 3.72Å |
| 595 | A | 92.9 | Very high | 91.8 | Very high | 44 Ų | 44 | 69.9 Ų | 69.9 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E591 T592 R598 Q599 | E591-A595 WeakPolarHBondContact O-CB 3.28Å; E591-A595 PolarHBondContact O-N 2.92Å; T592-A595 PolarHBondContact O-N 2.8Å; A595-R598 WeakPolarHBondContact O-CB 3.35Å; A595-R598 PolarHBondContact O-N 2.67Å; A595-Q599 WeakPolarHBondContact O-CG 3.23Å; A595-Q599 PolarHBondContact O-N 2.88Å |
| 596 | T | 94.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 69.4 Ų | 69.4 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.6 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | T592 I593 E594 Q599 K600 L707 | T592-T596 PolarHBondContact O-N 2.82Å; T592-T596 PolarHBondContact O-OG1 2.87Å; I593-T596 PolarHBondContact O-N 2.83Å; E594-T596 VanDerWaalsContact C-N 3.34Å; T596-Q599 PolarHBondContact O-N 3.01Å; T596-K600 HydrophobicContact CG2-CD 4.46Å; T596-K600 WeakPolarHBondContact O-CB 3.35Å; T596-K600 WeakPolarHBondContact O-CG 3.42Å; T596-K600 PolarHBondContact O-N 2.84Å; T596-L707 HydrophobicContact CG2-CD1 3.69Å |
| 597 | I | 94.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.072 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.9 | -72.5 | 165.9 | 0 | 0 | 0 | 110.2 | I593 E594 K600 N601 I704 L707 K708 M711 | I593-I597 HydrophobicContact CG2-CD1 3.76Å; I593-I597 HydrophobicContact CG2-CG1 4.36Å; I593-I597 WeakPolarHBondContact O-CB 3.3Å; I593-I597 VanDerWaalsContact O-CG1 3.28Å; I593-I597 WeakPolarHBondContact O-CG1 3.24Å; I593-I597 PolarHBondContact O-N 2.89Å; E594-I597 PolarHBondContact O-N 3.24Å; I597-K600 PolarHBondContact O-N 2.9Å; I597-N601 WeakPolarHBondContact CG2-ND2 3.14Å; I597-N601 WeakPolarHBondContact O-CB 3.4Å; I597-N601 PolarHBondContact O-N 2.89Å; I597-N601 PolarHBondContact O-ND2 3.45Å; I597-N601 VanDerWaalsContact O-ND2 3.16Å; I597-I704 HydrophobicContact CG2-CG2 4.38Å; I597-L707 HydrophobicContact CD1-CB 3.93Å; I597-L707 HydrophobicContact CG1-CB 3.64Å; I597-L707 HydrophobicContact CG1-CD1 4.13Å; I597-K708 HydrophobicContact CD1-CG 3.93Å; I597-M711 HydrophobicContact CD1-SD 4.37Å |
| 598 | R | 93.1 | Very high | 91.6 | Very high | 150 Ų | 150 | 67.8 Ų | 67.8 | 57% | 0.566 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -59.1 | -49.8 | 176.3 | -76.5 | 176.9 | -111.6 | -163.9 | -5.6 | 111.7 | E594 A595 K600 N601 V602 | E594-R598 WeakPolarHBondContact O-CB 3.47Å; E594-R598 VanDerWaalsContact O-CG 3.31Å; E594-R598 WeakPolarHBondContact O-CG 3.25Å; E594-R598 PolarHBondContact O-N 3.21Å; E594-R598 PolarHBondContact O-NE 2.84Å; E594-R598 IonicContact OE2-NH2 2.66Å; E594-R598 PolarHBondContact OE2-NH2 3.19Å; A595-R598 WeakPolarHBondContact O-CB 3.35Å; A595-R598 PolarHBondContact O-N 2.67Å; R598-K600 PolarHBondContact O-N 2.93Å; R598-N601 PolarHBondContact O-N 3.25Å; R598-V602 WeakPolarHBondContact O-CG2 3.49Å; R598-V602 PolarHBondContact O-N 3.4Å |
| 599 | Q | 92.2 | Very high | 91.4 | Very high | 142 Ų | 142 | 65.7 Ų | 65.7 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.8 | -45.9 | 177.2 | -72.8 | 177.7 | -13.3 | 0 | 0 | 112.6 | A595 T596 V602 L603 | A595-Q599 WeakPolarHBondContact O-CG 3.23Å; A595-Q599 PolarHBondContact O-N 2.88Å; T596-Q599 PolarHBondContact O-N 3.01Å; Q599-V602 PolarHBondContact O-N 2.93Å; Q599-L603 PolarHBondContact O-N 2.87Å |
| 600 | K | 93.9 | Very high | 90.8 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.4 | -33.8 | 179.1 | -69.8 | -170.3 | -176.4 | -169.6 | 0 | 113 | T596 I597 R598 L603 L604 L700 E703 I704 L707 | T596-K600 HydrophobicContact CG2-CD 4.46Å; T596-K600 WeakPolarHBondContact O-CB 3.35Å; T596-K600 WeakPolarHBondContact O-CG 3.42Å; T596-K600 PolarHBondContact O-N 2.84Å; I597-K600 PolarHBondContact O-N 2.9Å; R598-K600 PolarHBondContact O-N 2.93Å; K600-L603 PolarHBondContact O-N 2.94Å; K600-L604 WeakPolarHBondContact O-CB 3.34Å; K600-L604 PolarHBondContact O-N 2.58Å; K600-L700 HydrophobicContact CD-CD2 4.47Å; K600-E703 HydrophobicContact CD-CB 4.44Å; K600-E703 IonicContact NZ-OE2 2.8Å; K600-E703 PolarHBondContact NZ-OE2 2.99Å; K600-I704 HydrophobicContact CB-CD1 3.95Å; K600-I704 HydrophobicContact CB-CG1 3.72Å; K600-L707 HydrophobicContact CD-CD1 3.94Å |
| 601 | N | 91.9 | Very high | 90.1 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 171.4 | -74.1 | -32.5 | 0 | 0 | 0 | 111 | I597 R598 L603 L604 T605 I704 | I597-N601 WeakPolarHBondContact CG2-ND2 3.14Å; I597-N601 WeakPolarHBondContact O-CB 3.4Å; I597-N601 PolarHBondContact O-N 2.89Å; I597-N601 PolarHBondContact O-ND2 3.45Å; I597-N601 VanDerWaalsContact O-ND2 3.16Å; R598-N601 PolarHBondContact O-N 3.25Å; N601-L603 PolarHBondContact O-N 2.79Å; N601-L604 PolarHBondContact O-N 2.73Å; N601-T605 WeakPolarHBondContact O-CB 3.48Å; N601-T605 PolarHBondContact O-N 3.31Å; N601-T605 PolarHBondContact O-OG1 2.88Å; N601-I704 WeakPolarHBondContact OD1-CD1 3.47Å |
| 602 | V | 92.7 | Very high | 89.5 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | R598 Q599 T605 S606 | R598-V602 WeakPolarHBondContact O-CG2 3.49Å; R598-V602 PolarHBondContact O-N 3.4Å; Q599-V602 PolarHBondContact O-N 2.93Å; V602-T605 PolarHBondContact O-N 2.87Å; V602-S606 WeakPolarHBondContact O-CB 3.42Å; V602-S606 PolarHBondContact O-N 2.84Å |
| 603 | L | 91.5 | Very high | 88.6 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.5 | -179.2 | 63.1 | 0 | 0 | 0 | 111.8 | Q599 K600 N601 S606 L607 L700 | Q599-L603 PolarHBondContact O-N 2.87Å; K600-L603 PolarHBondContact O-N 2.94Å; N601-L603 PolarHBondContact O-N 2.79Å; L603-S606 PolarHBondContact O-N 3.04Å; L603-L607 HydrophobicContact CD1-CD1 4.2Å; L603-L607 HydrophobicContact CD1-CG 4.36Å; L603-L607 HydrophobicContact CG-CD1 3.98Å; L603-L607 WeakPolarHBondContact O-CB 3.43Å; L603-L607 VanDerWaalsContact O-CG 3.31Å; L603-L607 WeakPolarHBondContact O-CG 3.42Å; L603-L607 PolarHBondContact O-N 2.95Å; L603-L700 HydrophobicContact CD2-CD1 3.9Å; L603-L700 HydrophobicContact CD2-CD2 4.2Å; L603-L700 HydrophobicContact CG-CD1 3.94Å |
| 604 | L | 92.3 | Very high | 87.4 | Confident | 13 Ų | 13 | 69 Ų | 69 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 176.7 | 177.7 | 63.3 | 0 | 0 | 0 | 111.2 | K600 N601 S606 L607 E608 C697 L700 R701 I704 | K600-L604 WeakPolarHBondContact O-CB 3.34Å; K600-L604 PolarHBondContact O-N 2.58Å; N601-L604 PolarHBondContact O-N 2.73Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 2.85Å; L604-L607 PolarHBondContact O-N 3.46Å; L604-E608 HydrophobicContact CD1-CG 4.03Å; L604-E608 WeakPolarHBondContact CD1-OE1 3.25Å; L604-E608 HydrophobicContact CG-CG 4.29Å; L604-E608 WeakPolarHBondContact CG-OE1 3.41Å; L604-E608 WeakPolarHBondContact O-CB 3.36Å; L604-E608 VanDerWaalsContact O-CG 3.26Å; L604-E608 WeakPolarHBondContact O-CG 3.43Å; L604-E608 PolarHBondContact O-N 2.71Å; L604-C697 HydrophobicContact CD1-CB 3.91Å; L604-L700 HydrophobicContact CB-CD1 4.43Å; L604-L700 HydrophobicContact CD1-CB 4.23Å; L604-R701 HydrophobicContact CD1-CG 4.09Å; L604-R701 HydrophobicContact CD2-CG 3.56Å; L604-R701 HydrophobicContact CG-CG 4.49Å; L604-I704 HydrophobicContact CB-CD1 4.43Å; L604-I704 HydrophobicContact CD2-CD1 3.86Å |
| 605 | T | 90 | Very high | 86.5 | Confident | 86 Ų | 86 | 68.2 Ų | 68.2 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -38 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 112 | N601 V602 A609 | N601-T605 WeakPolarHBondContact O-CB 3.48Å; N601-T605 PolarHBondContact O-N 3.31Å; N601-T605 PolarHBondContact O-OG1 2.88Å; V602-T605 PolarHBondContact O-N 2.87Å; T605-A609 VanDerWaalsContact O-CB 3.3Å; T605-A609 WeakPolarHBondContact O-CB 3.46Å; T605-A609 PolarHBondContact O-N 3.13Å |
| 606 | S | 89.1 | Confident | 85.5 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 174.1 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | V602 L603 L604 A610 | V602-S606 WeakPolarHBondContact O-CB 3.42Å; V602-S606 PolarHBondContact O-N 2.84Å; L603-S606 PolarHBondContact O-N 3.04Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 2.85Å; S606-A610 VanDerWaalsContact O-CB 3.27Å; S606-A610 WeakPolarHBondContact O-CB 3.32Å; S606-A610 PolarHBondContact O-N 3.04Å |
| 607 | L | 87 | Confident | 84.5 | Confident | 22 Ų | 22 | 74.1 Ų | 74.1 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 176.6 | -72.1 | 167.6 | 0 | 0 | 0 | 112.2 | L603 L604 A611 R693 E696 L700 | L603-L607 HydrophobicContact CD1-CD1 4.2Å; L603-L607 HydrophobicContact CD1-CG 4.36Å; L603-L607 HydrophobicContact CG-CD1 3.98Å; L603-L607 WeakPolarHBondContact O-CB 3.43Å; L603-L607 VanDerWaalsContact O-CG 3.31Å; L603-L607 WeakPolarHBondContact O-CG 3.42Å; L603-L607 PolarHBondContact O-N 2.95Å; L604-L607 PolarHBondContact O-N 3.46Å; L607-A611 WeakPolarHBondContact O-CB 3.45Å; L607-A611 PolarHBondContact O-N 2.85Å; L607-R693 HydrophobicContact CD2-CG 4.18Å; L607-R693 PolarHBondContact O-NH1 3.09Å; L607-E696 HydrophobicContact CD1-CG 4.01Å; L607-L700 HydrophobicContact CD1-CD1 3.46Å; L607-L700 VanDerWaalsContact CD1-CD1 3.46Å |
| 608 | E | 86.1 | Confident | 83.5 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 23% | 0.229 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -53 | 175.4 | -74.3 | 168.8 | 165.3 | 0 | 0 | 110.8 | L604 A610 A611 E612 R701 | L604-E608 HydrophobicContact CD1-CG 4.03Å; L604-E608 WeakPolarHBondContact CD1-OE1 3.25Å; L604-E608 HydrophobicContact CG-CG 4.29Å; L604-E608 WeakPolarHBondContact CG-OE1 3.41Å; L604-E608 WeakPolarHBondContact O-CB 3.36Å; L604-E608 VanDerWaalsContact O-CG 3.26Å; L604-E608 WeakPolarHBondContact O-CG 3.43Å; L604-E608 PolarHBondContact O-N 2.71Å; E608-A610 VanDerWaalsContact C-N 3.35Å; E608-A610 PolarHBondContact O-N 2.76Å; E608-A611 CarbonylContact O-C 3.45Å; E608-A611 WeakPolarHBondContact O-CA 3.35Å; E608-A611 WeakPolarHBondContact O-CB 3.35Å; E608-A611 PolarHBondContact O-N 2.82Å; E608-E612 PolarHBondContact O-N 2.85Å; E608-R701 IonicContact OE1-CZ 2.66Å; E608-R701 VanDerWaalsContact OE1-CZ 3.26Å; E608-R701 IonicContact OE1-NE 3.7Å; E608-R701 PolarHBondContact OE1-NE 3.35Å; E608-R701 VanDerWaalsContact OE1-NE 3.09Å; E608-R701 IonicContact OE1-NH2 3.26Å; E608-R701 PolarHBondContact OE1-NH2 2.8Å |
| 609 | A | 84.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T605 A611 E612 Q613 | T605-A609 VanDerWaalsContact O-CB 3.3Å; T605-A609 WeakPolarHBondContact O-CB 3.46Å; T605-A609 PolarHBondContact O-N 3.13Å; A609-A611 VanDerWaalsContact C-N 3.26Å; A609-A611 PolarHBondContact O-N 3.24Å; A609-E612 PolarHBondContact O-N 3.12Å; A609-Q613 PolarHBondContact O-N 2.72Å |
| 610 | A | 80.4 | Confident | 81.9 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.9 | -18.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S606 E608 G614 R693 | S606-A610 VanDerWaalsContact O-CB 3.27Å; S606-A610 WeakPolarHBondContact O-CB 3.32Å; S606-A610 PolarHBondContact O-N 3.04Å; E608-A610 VanDerWaalsContact C-N 3.35Å; E608-A610 PolarHBondContact O-N 2.76Å; A610-G614 PolarHBondContact O-N 2.92Å; A610-R693 VanDerWaalsContact C-NH2 3.3Å; A610-R693 PolarHBondContact O-NH2 3.19Å |
| 611 | A | 77.4 | Confident | 81 | Confident | 31 Ų | 31 | 69.1 Ų | 69.1 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -78.1 | -43.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L607 E608 A609 G614 D615 | L607-A611 WeakPolarHBondContact O-CB 3.45Å; L607-A611 PolarHBondContact O-N 2.85Å; E608-A611 CarbonylContact O-C 3.45Å; E608-A611 WeakPolarHBondContact O-CA 3.35Å; E608-A611 WeakPolarHBondContact O-CB 3.35Å; E608-A611 PolarHBondContact O-N 2.82Å; A609-A611 VanDerWaalsContact C-N 3.26Å; A609-A611 PolarHBondContact O-N 3.24Å; A611-G614 CarbonylContact O-C 3.59Å; A611-G614 PolarHBondContact O-N 2.87Å; A611-G614 VanDerWaalsContact O-N 3.17Å; A611-D615 WeakPolarHBondContact O-CB 3.15Å; A611-D615 PolarHBondContact O-N 2.8Å |
| 612 | E | 76.4 | Confident | 80.1 | Confident | 143 Ų | 143 | 68.8 Ų | 68.8 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.8 | -50.2 | 173 | -70 | 175.2 | 170.1 | 0 | 0 | 111.5 | E608 A609 G614 D615 E616 | E608-E612 PolarHBondContact O-N 2.85Å; A609-E612 PolarHBondContact O-N 3.12Å; E612-G614 VanDerWaalsContact C-N 3.28Å; E612-G614 PolarHBondContact O-N 3.37Å; E612-D615 PolarHBondContact O-N 2.86Å; E612-D615 VanDerWaalsContact O-N 3.14Å; E612-E616 PolarHBondContact O-N 3.41Å |
| 613 | Q | 74.4 | Confident | 79.4 | Confident | 147 Ų | 147 | 70.2 Ų | 70.2 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.8 | -36.2 | 176.1 | -169.1 | -178.4 | 31.4 | 0 | 0 | 112.6 | A609 S617 | A609-Q613 PolarHBondContact O-N 2.72Å; Q613-S617 PolarHBondContact O-N 2.82Å |
| 614 | G | 69.5 | Low | 78.7 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 38% | 0.381 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A610 A611 E612 Y618 | A610-G614 PolarHBondContact O-N 2.92Å; A611-G614 CarbonylContact O-C 3.59Å; A611-G614 PolarHBondContact O-N 2.87Å; A611-G614 VanDerWaalsContact O-N 3.17Å; E612-G614 VanDerWaalsContact C-N 3.28Å; E612-G614 PolarHBondContact O-N 3.37Å; G614-Y618 VanDerWaalsContact O-CB 3.23Å; G614-Y618 WeakPolarHBondContact O-CB 3.37Å; G614-Y618 PolarHBondContact O-N 3.09Å |
| 615 | D | 71.9 | Confident | 77.6 | Confident | 49 Ų | 49 | 73.5 Ų | 73.5 | 26% | 0.262 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -78.2 | -33.3 | -176.3 | -151.1 | 19.9 | 0 | 0 | 0 | 112.5 | A611 E612 Y618 C619 K690 | A611-D615 WeakPolarHBondContact O-CB 3.15Å; A611-D615 PolarHBondContact O-N 2.8Å; E612-D615 PolarHBondContact O-N 2.86Å; E612-D615 VanDerWaalsContact O-N 3.14Å; D615-Y618 PolarHBondContact O-N 2.83Å; D615-C619 WeakPolarHBondContact O-CB 3.2Å; D615-C619 PolarHBondContact O-N 3.39Å; D615-C619 PolarHBondContact O-SG 2.95Å; D615-K690 IonicContact OD1-NZ 2.89Å; D615-K690 PolarHBondContact OD1-NZ 2.76Å; D615-K690 IonicContact OD2-NZ 3.34Å; D615-K690 PolarHBondContact OD2-NZ 2.83Å |
| 616 | E | 73.3 | Confident | 76.8 | Confident | 137 Ų | 137 | 73.6 Ų | 73.6 | 64% | 0.64 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61 | -49.1 | 169.9 | -174.1 | 174.2 | -152.3 | 0 | 0 | 110.7 | E612 C619 L620 | E612-E616 PolarHBondContact O-N 3.41Å; E616-C619 PolarHBondContact O-N 2.85Å; E616-L620 HydrophobicContact CG-CD1 4.24Å; E616-L620 WeakPolarHBondContact O-CB 3.49Å; E616-L620 VanDerWaalsContact O-CG 3.28Å; E616-L620 WeakPolarHBondContact O-CG 3.41Å; E616-L620 PolarHBondContact O-N 3.16Å |
| 617 | S | 71.8 | Confident | 76.2 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 53% | 0.531 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | Q613 L620 L621 | Q613-S617 PolarHBondContact O-N 2.82Å; S617-L620 PolarHBondContact O-N 3.03Å; S617-L621 VanDerWaalsContact O-CB 3.24Å; S617-L621 WeakPolarHBondContact O-CB 3.48Å; S617-L621 PolarHBondContact O-N 3.13Å |
| 618 | Y | 73.8 | Confident | 75.6 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.9 | 179.7 | -104.2 | 0 | 0 | 0 | 112.2 | G614 D615 L621 L622 L683 L686 | G614-Y618 VanDerWaalsContact O-CB 3.23Å; G614-Y618 WeakPolarHBondContact O-CB 3.37Å; G614-Y618 PolarHBondContact O-N 3.09Å; D615-Y618 PolarHBondContact O-N 2.83Å; Y618-L621 PolarHBondContact O-N 2.95Å; Y618-L622 HydrophobicContact CE1-CD2 4.25Å; Y618-L622 WeakPolarHBondContact O-CB 3.38Å; Y618-L622 PolarHBondContact O-N 3.27Å; Y618-L683 HydrophobicContact CE2-CD2 4.25Å; Y618-L686 HydrophobicContact CD2-CB 4.06Å; Y618-L686 HydrophobicContact CE2-CB 4.13Å |
| 619 | C | 75.2 | Confident | 74.6 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 178.4 | -75.7 | 0 | 0 | 0 | 0 | 112.4 | D615 E616 K623 | D615-C619 WeakPolarHBondContact O-CB 3.2Å; D615-C619 PolarHBondContact O-N 3.39Å; D615-C619 PolarHBondContact O-SG 2.95Å; E616-C619 PolarHBondContact O-N 2.85Å; C619-K623 WeakPolarHBondContact O-CB 3.48Å; C619-K623 VanDerWaalsContact O-CG 3.29Å; C619-K623 WeakPolarHBondContact O-CG 3.34Å; C619-K623 PolarHBondContact O-N 2.99Å |
| 620 | L | 77 | Confident | 74.3 | Confident | 111 Ų | 111 | 80.9 Ų | 80.9 | 58% | 0.581 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 174.1 | -71.2 | 171.5 | 0 | 0 | 0 | 111.5 | E616 S617 K624 | E616-L620 HydrophobicContact CG-CD1 4.24Å; E616-L620 WeakPolarHBondContact O-CB 3.49Å; E616-L620 VanDerWaalsContact O-CG 3.28Å; E616-L620 WeakPolarHBondContact O-CG 3.41Å; E616-L620 PolarHBondContact O-N 3.16Å; S617-L620 PolarHBondContact O-N 3.03Å; L620-K624 WeakPolarHBondContact O-CB 3.19Å; L620-K624 PolarHBondContact O-N 2.82Å |
| 621 | L | 74.2 | Confident | 74.2 | Confident | 52 Ų | 52 | 84.1 Ų | 84.1 | 27% | 0.272 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 178.8 | -172.9 | 62.6 | 0 | 0 | 0 | 112 | S617 Y618 K624 Y625 L683 L686 | S617-L621 VanDerWaalsContact O-CB 3.24Å; S617-L621 WeakPolarHBondContact O-CB 3.48Å; S617-L621 PolarHBondContact O-N 3.13Å; Y618-L621 PolarHBondContact O-N 2.95Å; L621-K624 WeakPolarHBondContact O-CB 3.38Å; L621-K624 PolarHBondContact O-N 2.87Å; L621-Y625 HydrophobicContact CD1-CD2 4.02Å; L621-Y625 HydrophobicContact CD1-CE2 3.43Å; L621-Y625 VanDerWaalsContact CD1-CE2 3.43Å; L621-Y625 HydrophobicContact CD2-CE2 4.15Å; L621-Y625 HydrophobicContact CG-CD2 3.91Å; L621-Y625 HydrophobicContact CG-CE2 3.55Å; L621-Y625 WeakPolarHBondContact O-CD2 3.48Å; L621-Y625 PolarHBondContact O-N 3.14Å; L621-L683 HydrophobicContact CD2-CD2 4.18Å; L621-L683 HydrophobicContact CG-CD2 4.23Å; L621-L686 HydrophobicContact CD2-CD1 3.92Å |
| 622 | L | 73.7 | Confident | 73.8 | Confident | 53 Ų | 53 | 84.9 Ų | 84.9 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -50.6 | 175.8 | -170.9 | 71.4 | 0 | 0 | 0 | 110.7 | Y618 K624 Y625 E626 L683 | Y618-L622 HydrophobicContact CE1-CD2 4.25Å; Y618-L622 WeakPolarHBondContact O-CB 3.38Å; Y618-L622 PolarHBondContact O-N 3.27Å; L622-K624 VanDerWaalsContact C-N 3.26Å; L622-K624 PolarHBondContact O-N 2.9Å; L622-Y625 PolarHBondContact O-N 2.82Å; L622-Y625 VanDerWaalsContact O-N 3.1Å; L622-E626 WeakPolarHBondContact O-CG 3.42Å; L622-E626 PolarHBondContact O-N 2.83Å; L622-L683 HydrophobicContact CD1-CD1 4.28Å |
| 623 | K | 77.9 | Confident | 73.4 | Confident | 137 Ų | 137 | 83.3 Ų | 83.3 | 60% | 0.596 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -56.1 | -39.2 | 174.9 | -76.9 | 174.6 | 179.7 | 176.2 | 0 | 112.6 | C619 S627 | C619-K623 WeakPolarHBondContact O-CB 3.48Å; C619-K623 VanDerWaalsContact O-CG 3.29Å; C619-K623 WeakPolarHBondContact O-CG 3.34Å; C619-K623 PolarHBondContact O-N 2.99Å; K623-S627 WeakPolarHBondContact O-CB 3.49Å; K623-S627 PolarHBondContact O-N 2.69Å |
| 624 | K | 75.9 | Confident | 73.5 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176 | -176.5 | 179.5 | 179.2 | 178.8 | 0 | 111.4 | L620 L621 L622 S627 Q628 | L620-K624 WeakPolarHBondContact O-CB 3.19Å; L620-K624 PolarHBondContact O-N 2.82Å; L621-K624 WeakPolarHBondContact O-CB 3.38Å; L621-K624 PolarHBondContact O-N 2.87Å; L622-K624 VanDerWaalsContact C-N 3.26Å; L622-K624 PolarHBondContact O-N 2.9Å; K624-S627 WeakPolarHBondContact O-CB 3.4Å; K624-S627 PolarHBondContact O-N 3.47Å; K624-Q628 WeakPolarHBondContact O-CG 3.3Å; K624-Q628 PolarHBondContact O-N 3.28Å |
| 625 | Y | 70.6 | Confident | 73.7 | Confident | 40 Ų | 40 | 82 Ų | 82 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.5 | -37.2 | 177.8 | -71.7 | -58.3 | 0 | 0 | 0 | 113 | L621 L622 S627 Q628 I629 Q679 L683 | L621-Y625 HydrophobicContact CD1-CD2 4.02Å; L621-Y625 HydrophobicContact CD1-CE2 3.43Å; L621-Y625 VanDerWaalsContact CD1-CE2 3.43Å; L621-Y625 HydrophobicContact CD2-CE2 4.15Å; L621-Y625 HydrophobicContact CG-CD2 3.91Å; L621-Y625 HydrophobicContact CG-CE2 3.55Å; L621-Y625 WeakPolarHBondContact O-CD2 3.48Å; L621-Y625 PolarHBondContact O-N 3.14Å; L622-Y625 PolarHBondContact O-N 2.82Å; L622-Y625 VanDerWaalsContact O-N 3.1Å; Y625-S627 PolarHBondContact O-N 3.1Å; Y625-Q628 VanDerWaalsContact CD1-OE1 3.3Å; Y625-Q628 PolarHBondContact O-N 3.18Å; Y625-I629 WeakPolarHBondContact O-CB 3.25Å; Y625-I629 VanDerWaalsContact O-CG1 3.29Å; Y625-I629 WeakPolarHBondContact O-CG1 3.36Å; Y625-I629 PolarHBondContact O-N 2.91Å; Y625-Q679 HydrophobicContact CD1-CB 4.5Å; Y625-Q679 HydrophobicContact CE1-CB 3.75Å; Y625-Q679 HydrophobicContact CE1-CG 4.04Å; Y625-L683 HydrophobicContact CD2-CD1 3.58Å; Y625-L683 HydrophobicContact CD2-CD2 3.83Å; Y625-L683 HydrophobicContact CD2-CG 3.86Å; Y625-L683 HydrophobicContact CE2-CD1 4.26Å; Y625-L683 HydrophobicContact CE2-CD2 4.03Å; Y625-L683 HydrophobicContact CE2-CG 4.08Å; Y625-L683 HydrophobicContact CG-CD1 4.04Å |
| 626 | E | 72.2 | Confident | 73.4 | Confident | 88 Ų | 88 | 82.7 Ų | 82.7 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -32.2 | 170.8 | -72.9 | 175.5 | 176.1 | 0 | 0 | 112.7 | L622 R630 | L622-E626 WeakPolarHBondContact O-CG 3.42Å; L622-E626 PolarHBondContact O-N 2.83Å; E626-R630 WeakPolarHBondContact O-CB 2.92Å; E626-R630 WeakPolarHBondContact O-CG 3.46Å; E626-R630 PolarHBondContact O-N 3.28Å; E626-R630 PolarHBondContact O-NE 3.3Å |
| 627 | S | 77.5 | Confident | 73.6 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.1 | -44.3 | 173 | -166 | 0 | 0 | 0 | 0 | 111.4 | K623 K624 Y625 R630 E631 | K623-S627 WeakPolarHBondContact O-CB 3.49Å; K623-S627 PolarHBondContact O-N 2.69Å; K624-S627 WeakPolarHBondContact O-CB 3.4Å; K624-S627 PolarHBondContact O-N 3.47Å; Y625-S627 PolarHBondContact O-N 3.1Å; S627-R630 PolarHBondContact O-N 3Å; S627-E631 WeakPolarHBondContact O-CB 3.02Å; S627-E631 PolarHBondContact O-N 3.46Å |
| 628 | Q | 73.4 | Confident | 73.6 | Confident | 69 Ų | 69 | 79.9 Ų | 79.9 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 178.8 | -73.1 | -179.7 | -28.6 | 0 | 0 | 112.6 | K624 Y625 E631 L632 | K624-Q628 WeakPolarHBondContact O-CG 3.3Å; K624-Q628 PolarHBondContact O-N 3.28Å; Y625-Q628 VanDerWaalsContact CD1-OE1 3.3Å; Y625-Q628 PolarHBondContact O-N 3.18Å; Q628-E631 PolarHBondContact O-N 3.27Å; Q628-L632 WeakPolarHBondContact O-CB 3.39Å; Q628-L632 VanDerWaalsContact O-CG 3.31Å; Q628-L632 WeakPolarHBondContact O-CG 3.22Å; Q628-L632 PolarHBondContact O-N 2.94Å |
| 629 | I | 66.1 | Low | 72.9 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -49.7 | 175.4 | -70.3 | 166.7 | 0 | 0 | 0 | 109.8 | Y625 E631 L632 E633 T676 | Y625-I629 WeakPolarHBondContact O-CB 3.25Å; Y625-I629 VanDerWaalsContact O-CG1 3.29Å; Y625-I629 WeakPolarHBondContact O-CG1 3.36Å; Y625-I629 PolarHBondContact O-N 2.91Å; I629-E631 VanDerWaalsContact C-N 3.3Å; I629-E631 PolarHBondContact O-N 3.24Å; I629-L632 PolarHBondContact O-N 3.03Å; I629-L632 VanDerWaalsContact O-N 3.16Å; I629-E633 HydrophobicContact CG2-CG 4.23Å; I629-E633 WeakPolarHBondContact CG2-OE1 3.43Å; I629-E633 WeakPolarHBondContact O-CB 3.44Å; I629-E633 VanDerWaalsContact O-CG 3.3Å; I629-E633 WeakPolarHBondContact O-CG 3.29Å; I629-E633 PolarHBondContact O-N 3.35Å; I629-T676 HydrophobicContact CG1-CG2 4.49Å |
| 630 | R | 77.7 | Confident | 72.3 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59.9 | -37.8 | 176.3 | -79.8 | -179.8 | -75.3 | -170.6 | -8.4 | 113.3 | E626 S627 S634 | E626-R630 WeakPolarHBondContact O-CB 2.92Å; E626-R630 WeakPolarHBondContact O-CG 3.46Å; E626-R630 PolarHBondContact O-N 3.28Å; E626-R630 PolarHBondContact O-NE 3.3Å; S627-R630 PolarHBondContact O-N 3Å; R630-S634 PolarHBondContact O-N 3.39Å |
| 631 | E | 78.5 | Confident | 72.1 | Confident | 100 Ų | 100 | 84.4 Ų | 84.4 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.9 | -170.7 | -172.1 | 163.8 | 0 | 0 | 111.7 | S627 Q628 I629 K635 | S627-E631 WeakPolarHBondContact O-CB 3.02Å; S627-E631 PolarHBondContact O-N 3.46Å; Q628-E631 PolarHBondContact O-N 3.27Å; I629-E631 VanDerWaalsContact C-N 3.3Å; I629-E631 PolarHBondContact O-N 3.24Å; E631-K635 HydrophobicContact CG-CD 4.43Å; E631-K635 VanDerWaalsContact O-CG 3.27Å; E631-K635 WeakPolarHBondContact O-CG 3.48Å; E631-K635 PolarHBondContact O-N 3.41Å; E631-K635 VanDerWaalsContact O-N 3.07Å; E631-K635 WeakPolarHBondContact OE1-CE 3.48Å; E631-K635 IonicContact OE1-NZ 3.77Å; E631-K635 PolarHBondContact OE1-NZ 3.21Å |
| 632 | L | 69 | Low | 71.7 | Confident | 48 Ų | 48 | 86.4 Ų | 86.4 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 175.6 | -71.5 | 170.6 | 0 | 0 | 0 | 112 | Q628 I629 K635 V636 T676 | Q628-L632 WeakPolarHBondContact O-CB 3.39Å; Q628-L632 VanDerWaalsContact O-CG 3.31Å; Q628-L632 WeakPolarHBondContact O-CG 3.22Å; Q628-L632 PolarHBondContact O-N 2.94Å; I629-L632 PolarHBondContact O-N 3.03Å; I629-L632 VanDerWaalsContact O-N 3.16Å; L632-K635 PolarHBondContact O-N 3.31Å; L632-V636 WeakPolarHBondContact O-CG2 3.23Å; L632-V636 PolarHBondContact O-N 3.4Å; L632-T676 HydrophobicContact CD1-CG2 4.41Å |
| 633 | E | 67.3 | Low | 71.1 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 175 | -74.1 | 170.4 | 163 | 0 | 0 | 111.4 | I629 K635 V636 I637 | I629-E633 HydrophobicContact CG2-CG 4.23Å; I629-E633 WeakPolarHBondContact CG2-OE1 3.43Å; I629-E633 WeakPolarHBondContact O-CB 3.44Å; I629-E633 VanDerWaalsContact O-CG 3.3Å; I629-E633 WeakPolarHBondContact O-CG 3.29Å; I629-E633 PolarHBondContact O-N 3.35Å; E633-K635 PolarHBondContact O-N 3.03Å; E633-V636 PolarHBondContact O-N 3.47Å; E633-I637 VanDerWaalsContact O-CG1 3.31Å; E633-I637 WeakPolarHBondContact O-CG1 3.46Å; E633-I637 PolarHBondContact O-N 3.34Å |
| 634 | S | 77.1 | Confident | 70.1 | Confident | 59 Ų | 59 | 87.7 Ų | 87.7 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 173.9 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | R630 V636 I637 D638 | R630-S634 PolarHBondContact O-N 3.39Å; S634-V636 VanDerWaalsContact C-N 3.3Å; S634-V636 PolarHBondContact O-N 3.48Å; S634-I637 PolarHBondContact O-N 2.98Å; S634-I637 VanDerWaalsContact O-N 3.15Å; S634-D638 WeakPolarHBondContact O-CB 3.22Å; S634-D638 PolarHBondContact O-N 2.96Å; S634-D638 PolarHBondContact OG-OD2 3.24Å |
| 635 | K | 74.5 | Confident | 69.6 | Low | 97 Ų | 97 | 88 Ų | 88 | 42% | 0.422 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 178.8 | -73.7 | 170 | -175.1 | 171.8 | 0 | 112.5 | E631 L632 E633 L639 | E631-K635 HydrophobicContact CG-CD 4.43Å; E631-K635 VanDerWaalsContact O-CG 3.27Å; E631-K635 WeakPolarHBondContact O-CG 3.48Å; E631-K635 PolarHBondContact O-N 3.41Å; E631-K635 VanDerWaalsContact O-N 3.07Å; E631-K635 WeakPolarHBondContact OE1-CE 3.48Å; E631-K635 IonicContact OE1-NZ 3.77Å; E631-K635 PolarHBondContact OE1-NZ 3.21Å; L632-K635 PolarHBondContact O-N 3.31Å; E633-K635 PolarHBondContact O-N 3.03Å; K635-L639 VanDerWaalsContact O-CB 3.29Å; K635-L639 WeakPolarHBondContact O-CB 3.42Å; K635-L639 WeakPolarHBondContact O-CD1 3.17Å; K635-L639 WeakPolarHBondContact O-CG 3.31Å; K635-L639 PolarHBondContact O-N 3.43Å |
| 636 | V | 65 | Low | 68.7 | Low | 65 Ų | 65 | 89 Ų | 89 | 39% | 0.394 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 174.6 | 168 | 0 | 0 | 0 | 0 | 110.4 | L632 E633 S634 D638 L639 E640 | L632-V636 WeakPolarHBondContact O-CG2 3.23Å; L632-V636 PolarHBondContact O-N 3.4Å; E633-V636 PolarHBondContact O-N 3.47Å; S634-V636 VanDerWaalsContact C-N 3.3Å; S634-V636 PolarHBondContact O-N 3.48Å; V636-D638 VanDerWaalsContact C-N 3.34Å; V636-D638 PolarHBondContact O-N 2.94Å; V636-L639 CarbonylContact O-C 3.58Å; V636-L639 PolarHBondContact O-N 3.1Å; V636-E640 HydrophobicContact CG1-CG 4.38Å; V636-E640 WeakPolarHBondContact O-CB 3.25Å; V636-E640 WeakPolarHBondContact O-CG 3.21Å; V636-E640 PolarHBondContact O-N 3.43Å |
| 637 | I | 77 | Confident | 67.8 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 45% | 0.446 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.9 | -59.8 | 163.3 | 0 | 0 | 0 | 111.2 | E633 S634 E640 R641 | E633-I637 VanDerWaalsContact O-CG1 3.31Å; E633-I637 WeakPolarHBondContact O-CG1 3.46Å; E633-I637 PolarHBondContact O-N 3.34Å; S634-I637 PolarHBondContact O-N 2.98Å; S634-I637 VanDerWaalsContact O-N 3.15Å; I637-E640 PolarHBondContact O-N 3.17Å; I637-R641 PolarHBondContact O-N 3.36Å |
| 638 | D | 72.5 | Confident | 66.8 | Low | 67 Ų | 67 | 91.9 Ų | 91.9 | 36% | 0.358 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.6 | -66.9 | -39.5 | 0 | 0 | 0 | 111.4 | S634 V636 R641 E642 | S634-D638 WeakPolarHBondContact O-CB 3.22Å; S634-D638 PolarHBondContact O-N 2.96Å; S634-D638 PolarHBondContact OG-OD2 3.24Å; V636-D638 VanDerWaalsContact C-N 3.34Å; V636-D638 PolarHBondContact O-N 2.94Å; D638-R641 PolarHBondContact O-N 3.21Å; D638-R641 IonicContact OD1-CZ 3.92Å; D638-R641 IonicContact OD1-NH1 2.74Å; D638-R641 PolarHBondContact OD1-NH1 3.35Å; D638-R641 IonicContact OD1-NH2 3.12Å; D638-R641 PolarHBondContact OD1-NH2 3.02Å; D638-E642 PolarHBondContact O-N 3.14Å |
| 639 | L | 58.8 | Low | 65.8 | Low | 41 Ų | 41 | 93.9 Ų | 93.9 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.9 | -31.3 | 175 | -72.4 | 169.5 | 0 | 0 | 0 | 113.3 | K635 V636 E642 K643 M669 | K635-L639 VanDerWaalsContact O-CB 3.29Å; K635-L639 WeakPolarHBondContact O-CB 3.42Å; K635-L639 WeakPolarHBondContact O-CD1 3.17Å; K635-L639 WeakPolarHBondContact O-CG 3.31Å; K635-L639 PolarHBondContact O-N 3.43Å; V636-L639 CarbonylContact O-C 3.58Å; V636-L639 PolarHBondContact O-N 3.1Å; L639-E642 WeakPolarHBondContact CD2-OE2 3.44Å; L639-E642 PolarHBondContact O-N 3.24Å; L639-K643 WeakPolarHBondContact O-CB 3.43Å; L639-K643 PolarHBondContact O-N 2.95Å; L639-M669 HydrophobicContact CD1-CE 3.85Å; L639-M669 HydrophobicContact CD1-SD 3.7Å |
| 640 | E | 63.5 | Low | 65 | Low | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -38 | 171.3 | -76.9 | -178.4 | 161.8 | 0 | 0 | 111.1 | V636 I637 S644 | V636-E640 HydrophobicContact CG1-CG 4.38Å; V636-E640 WeakPolarHBondContact O-CB 3.25Å; V636-E640 WeakPolarHBondContact O-CG 3.21Å; V636-E640 PolarHBondContact O-N 3.43Å; I637-E640 PolarHBondContact O-N 3.17Å; E640-S644 WeakPolarHBondContact O-CB 3.31Å; E640-S644 PolarHBondContact O-N 2.84Å; E640-S644 PolarHBondContact O-OG 2.8Å |
| 641 | R | 71.2 | Confident | 63.5 | Low | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 169.6 | -77.7 | -171.8 | -102 | 104.2 | 1.7 | 111.7 | I637 D638 S644 K645 | I637-R641 PolarHBondContact O-N 3.36Å; D638-R641 PolarHBondContact O-N 3.21Å; D638-R641 IonicContact OD1-CZ 3.92Å; D638-R641 IonicContact OD1-NH1 2.74Å; D638-R641 PolarHBondContact OD1-NH1 3.35Å; D638-R641 IonicContact OD1-NH2 3.12Å; D638-R641 PolarHBondContact OD1-NH2 3.02Å; R641-S644 PolarHBondContact O-N 3.22Å; R641-K645 VanDerWaalsContact O-CB 3.31Å; R641-K645 WeakPolarHBondContact O-CB 3.35Å; R641-K645 PolarHBondContact O-N 3.42Å |
| 642 | E | 67 | Low | 61.9 | Low | 94 Ų | 94 | 98.5 Ų | 98.5 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.8 | -166.1 | -172.4 | 158.6 | 0 | 0 | 111.4 | D638 L639 K645 L646 | D638-E642 PolarHBondContact O-N 3.14Å; L639-E642 WeakPolarHBondContact CD2-OE2 3.44Å; L639-E642 PolarHBondContact O-N 3.24Å; E642-K645 PolarHBondContact O-N 2.99Å; E642-L646 HydrophobicContact CG-CD1 4.07Å; E642-L646 WeakPolarHBondContact O-CB 3.28Å; E642-L646 WeakPolarHBondContact O-CG 3.48Å; E642-L646 PolarHBondContact O-N 3.1Å |
| 643 | K | 60.8 | Low | 60.9 | Low | 139 Ų | 139 | 105.5 Ų | 105.5 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.9 | -48.7 | 175.9 | 179.8 | -174.5 | 174.9 | -171.8 | 0 | 111.7 | L639 K645 L646 L647 | L639-K643 WeakPolarHBondContact O-CB 3.43Å; L639-K643 PolarHBondContact O-N 2.95Å; K643-K645 VanDerWaalsContact C-N 3.32Å; K643-K645 PolarHBondContact O-N 2.8Å; K643-L646 PolarHBondContact O-N 2.8Å; K643-L647 HydrophobicContact CG-CD1 4Å; K643-L647 WeakPolarHBondContact O-CB 3.38Å; K643-L647 VanDerWaalsContact O-CG 3.23Å; K643-L647 WeakPolarHBondContact O-CG 3.49Å; K643-L647 PolarHBondContact O-N 2.97Å |
| 644 | S | 56.6 | Low | 59.8 | Low | 78 Ų | 78 | 108.7 Ų | 108.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -38 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | E640 R641 A648 | E640-S644 WeakPolarHBondContact O-CB 3.31Å; E640-S644 PolarHBondContact O-N 2.84Å; E640-S644 PolarHBondContact O-OG 2.8Å; R641-S644 PolarHBondContact O-N 3.22Å; S644-A648 PolarHBondContact O-N 2.97Å |
| 645 | K | 65.2 | Low | 58.5 | Low | 130 Ų | 130 | 111.5 Ų | 111.5 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.1 | -46.6 | 176.3 | -167.9 | -179.7 | 176.4 | -171.3 | 0 | 111.9 | R641 E642 K643 L647 A648 E649 | R641-K645 VanDerWaalsContact O-CB 3.31Å; R641-K645 WeakPolarHBondContact O-CB 3.35Å; R641-K645 PolarHBondContact O-N 3.42Å; E642-K645 PolarHBondContact O-N 2.99Å; K643-K645 VanDerWaalsContact C-N 3.32Å; K643-K645 PolarHBondContact O-N 2.8Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3.44Å; K645-A648 WeakPolarHBondContact O-CB 3.36Å; K645-A648 PolarHBondContact O-N 3.44Å; K645-E649 WeakPolarHBondContact CE-OE1 3.24Å; K645-E649 IonicContact NZ-OE1 2.83Å; K645-E649 WeakPolarHBondContact O-CG 3.37Å; K645-E649 PolarHBondContact O-N 2.87Å |
| 646 | L | 52.6 | Low | 57.6 | Low | 60 Ų | 60 | 115.6 Ų | 115.6 | 31% | 0.314 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.7 | -32.7 | 176.9 | -69.8 | 174.3 | 0 | 0 | 0 | 112.8 | E642 K643 A648 E649 H650 | E642-L646 HydrophobicContact CG-CD1 4.07Å; E642-L646 WeakPolarHBondContact O-CB 3.28Å; E642-L646 WeakPolarHBondContact O-CG 3.48Å; E642-L646 PolarHBondContact O-N 3.1Å; K643-L646 PolarHBondContact O-N 2.8Å; L646-A648 VanDerWaalsContact C-N 3.25Å; L646-A648 PolarHBondContact O-N 3.14Å; L646-E649 PolarHBondContact O-N 3.33Å; L646-H650 PolarHBondContact O-N 3.2Å |
| 647 | L | 53.5 | Low | 57.2 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -27.7 | 171 | -77.2 | 169.6 | 0 | 0 | 0 | 112.7 | K643 K645 | K643-L647 HydrophobicContact CG-CD1 4Å; K643-L647 WeakPolarHBondContact O-CB 3.38Å; K643-L647 VanDerWaalsContact O-CG 3.23Å; K643-L647 WeakPolarHBondContact O-CG 3.49Å; K643-L647 PolarHBondContact O-N 2.97Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3.44Å |
| 648 | A | 55.2 | Low | 56.1 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.7 | -23.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S644 K645 L646 | S644-A648 PolarHBondContact O-N 2.97Å; K645-A648 WeakPolarHBondContact O-CB 3.36Å; K645-A648 PolarHBondContact O-N 3.44Å; L646-A648 VanDerWaalsContact C-N 3.25Å; L646-A648 PolarHBondContact O-N 3.14Å |
| 649 | E | 53.9 | Low | 55.7 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -103.2 | -0.6 | -170.9 | -73.4 | 177.3 | 180 | 0 | 0 | 115.2 | K645 L646 | K645-E649 WeakPolarHBondContact CE-OE1 3.24Å; K645-E649 IonicContact NZ-OE1 2.83Å; K645-E649 WeakPolarHBondContact O-CG 3.37Å; K645-E649 PolarHBondContact O-N 2.87Å; L646-E649 PolarHBondContact O-N 3.33Å |
| 650 | H | 48 | Very low | 56.1 | Low | 145 Ų | 145 | 122.9 Ų | 122.9 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | trans | -125.7 | 87.2 | -178.9 | -103.1 | 38 | 0 | 0 | 0 | 116 | L646 | L646-H650 PolarHBondContact O-N 3.2Š| ||
| 651 | S | 47.6 | Very low | 56.3 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | trans | -97.3 | 82.2 | 145.3 | -61.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 652 | N | 43.8 | Very low | 55.9 | Low | 145 Ų | 145 | 123.7 Ų | 123.7 | 78% | 0.775 | 62% | 0.623 | S | S | * | * | trans | -168.3 | 152.3 | 159.1 | -100.5 | -22.6 | 0 | 0 | 0 | 111.7 | ||||
| 653 | E | 48.8 | Very low | 56 | Low | 196 Ų | 196 | 124.2 Ų | 124.2 | 92% | 0.916 | 63% | 0.625 | S | S | * | * | trans | -108.7 | 35.1 | -147.9 | -155.3 | 170.5 | -170.3 | 0 | 0 | 114.7 | ||||
| 654 | E | 42.6 | Very low | 56.7 | Low | 175 Ų | 175 | 120.1 Ų | 120.1 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -122.4 | 158.9 | -175.9 | -67.1 | -160.8 | 146.6 | 0 | 0 | 115.4 | ||||
| 655 | L | 50.6 | Low | 57.5 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | trans | 79.3 | 73 | 172.2 | -56.6 | 170.7 | 0 | 0 | 0 | 117.8 | D657 S658 | L655-D657 PolarHBondContact O-N 3.02Å; L655-S658 VanDerWaalsContact O-CB 3.25Å; L655-S658 WeakPolarHBondContact O-CB 3.45Å; L655-S658 PolarHBondContact O-N 3.3Å | ||
| 656 | K | 55.4 | Low | 57.5 | Low | 184 Ų | 184 | 122 Ų | 122 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -47.1 | -37.3 | 162.1 | -139.7 | 173.2 | -173 | 175.5 | 0 | 113.5 | S658 K659 M660 | K656-S658 VanDerWaalsContact C-N 3.31Å; K656-S658 PolarHBondContact O-N 2.83Å; K656-K659 WeakPolarHBondContact O-CB 3.24Å; K656-K659 PolarHBondContact O-N 3.43Å; K656-K659 VanDerWaalsContact O-N 3.1Å; K656-M660 PolarHBondContact O-N 3.47Å; K656-M660 VanDerWaalsContact O-N 3.08Å |
| 657 | D | 56.3 | Low | 58.6 | Low | 111 Ų | 111 | 125.4 Ų | 125.4 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.2 | -37.5 | 177.2 | -64.9 | -19.9 | 0 | 0 | 0 | 112.1 | L655 K659 M660 Q661 | L655-D657 PolarHBondContact O-N 3.02Å; D657-K659 PolarHBondContact O-N 2.9Å; D657-M660 PolarHBondContact O-N 3.2Å; D657-Q661 WeakPolarHBondContact O-CB 3.32Å; D657-Q661 PolarHBondContact O-N 3.44Å |
| 658 | S | 55 | Low | 59.6 | Low | 42 Ų | 42 | 122.6 Ų | 122.6 | 29% | 0.294 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67 | -24.9 | 176.8 | -140.9 | 0 | 0 | 0 | 0 | 111.7 | L655 K656 R662 | L655-S658 VanDerWaalsContact O-CB 3.25Å; L655-S658 WeakPolarHBondContact O-CB 3.45Å; L655-S658 PolarHBondContact O-N 3.3Å; K656-S658 VanDerWaalsContact C-N 3.31Å; K656-S658 PolarHBondContact O-N 2.83Å; S658-R662 VanDerWaalsContact CB-NH1 3.27Å; S658-R662 VanDerWaalsContact O-CG 3.25Å; S658-R662 WeakPolarHBondContact O-CG 3.28Å; S658-R662 PolarHBondContact O-N 3.36Å; S658-R662 PolarHBondContact O-NH1 3.43Å; S658-R662 PolarHBondContact OG-NH1 2.96Å |
| 659 | K | 63.9 | Low | 60.2 | Low | 134 Ų | 134 | 121 Ų | 121 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.8 | -46.4 | 170.2 | -169 | -178.4 | -178.7 | -165.2 | 0 | 111.5 | K656 D657 Q661 R662 E663 | K656-K659 WeakPolarHBondContact O-CB 3.24Å; K656-K659 PolarHBondContact O-N 3.43Å; K656-K659 VanDerWaalsContact O-N 3.1Å; D657-K659 PolarHBondContact O-N 2.9Å; K659-Q661 VanDerWaalsContact C-N 3.3Å; K659-Q661 PolarHBondContact O-N 3.13Å; K659-R662 WeakPolarHBondContact O-CB 3.46Å; K659-R662 PolarHBondContact O-N 3.01Å; K659-R662 VanDerWaalsContact O-N 3.12Å; K659-E663 WeakPolarHBondContact CE-OE1 3.33Å; K659-E663 IonicContact NZ-OE1 2.68Å; K659-E663 WeakPolarHBondContact O-CG 3.22Å; K659-E663 PolarHBondContact O-N 3.15Å |
| 660 | M | 67.7 | Low | 60.9 | Low | 126 Ų | 126 | 121.6 Ų | 121.6 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.1 | -41.5 | 177.3 | -166 | -165 | -53.7 | 0 | 0 | 111.8 | K656 D657 R662 E663 A664 | K656-M660 PolarHBondContact O-N 3.47Å; K656-M660 VanDerWaalsContact O-N 3.08Å; D657-M660 PolarHBondContact O-N 3.2Å; M660-R662 VanDerWaalsContact C-N 3.35Å; M660-R662 PolarHBondContact O-N 2.99Å; M660-E663 PolarHBondContact O-N 3.28Å; M660-A664 WeakPolarHBondContact O-CB 3.46Å; M660-A664 PolarHBondContact O-N 3.2Å |
| 661 | Q | 66 | Low | 62.3 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68 | -33.2 | 177.5 | -158.9 | 173.8 | 24.8 | 0 | 0 | 112.3 | D657 K659 R665 | D657-Q661 WeakPolarHBondContact O-CB 3.32Å; D657-Q661 PolarHBondContact O-N 3.44Å; K659-Q661 VanDerWaalsContact C-N 3.3Å; K659-Q661 PolarHBondContact O-N 3.13Å; Q661-R665 WeakPolarHBondContact O-CB 3.42Å; Q661-R665 PolarHBondContact O-N 2.79Å |
| 662 | R | 64.1 | Low | 63.6 | Low | 125 Ų | 125 | 118.8 Ų | 118.8 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.1 | -41.9 | 171.1 | -77.7 | 176.3 | -177.7 | 85.8 | -5.5 | 112.5 | S658 K659 M660 R665 L666 | S658-R662 VanDerWaalsContact CB-NH1 3.27Å; S658-R662 VanDerWaalsContact O-CG 3.25Å; S658-R662 WeakPolarHBondContact O-CG 3.28Å; S658-R662 PolarHBondContact O-N 3.36Å; S658-R662 PolarHBondContact O-NH1 3.43Å; S658-R662 PolarHBondContact OG-NH1 2.96Å; K659-R662 WeakPolarHBondContact O-CB 3.46Å; K659-R662 PolarHBondContact O-N 3.01Å; K659-R662 VanDerWaalsContact O-N 3.12Å; M660-R662 VanDerWaalsContact C-N 3.35Å; M660-R662 PolarHBondContact O-N 2.99Å; R662-R665 PolarHBondContact O-N 2.73Å; R662-L666 WeakPolarHBondContact O-CB 3.33Å; R662-L666 WeakPolarHBondContact O-CG 3.48Å; R662-L666 PolarHBondContact O-N 2.87Å |
| 663 | E | 69.5 | Low | 64.7 | Low | 104 Ų | 104 | 116.1 Ų | 116.1 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.6 | -41.1 | 175.2 | -73.6 | 173.3 | -177.2 | 0 | 0 | 111.4 | K659 M660 L666 K667 | K659-E663 WeakPolarHBondContact CE-OE1 3.33Å; K659-E663 IonicContact NZ-OE1 2.68Å; K659-E663 WeakPolarHBondContact O-CG 3.22Å; K659-E663 PolarHBondContact O-N 3.15Å; M660-E663 PolarHBondContact O-N 3.28Å; E663-L666 PolarHBondContact O-N 3.44Å; E663-K667 WeakPolarHBondContact O-CB 3.39Å; E663-K667 PolarHBondContact O-N 3.05Å |
| 664 | A | 74.7 | Confident | 65.9 | Low | 54 Ų | 54 | 110.6 Ų | 110.6 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M660 L666 K667 T668 | M660-A664 WeakPolarHBondContact O-CB 3.46Å; M660-A664 PolarHBondContact O-N 3.2Å; A664-L666 PolarHBondContact O-N 3.45Å; A664-K667 PolarHBondContact O-N 3.31Å; A664-T668 PolarHBondContact O-N 3.09Å; A664-T668 PolarHBondContact O-OG1 3.38Å; A664-T668 VanDerWaalsContact O-OG1 3.05Å |
| 665 | R | 72.5 | Confident | 67.6 | Low | 144 Ų | 144 | 107.8 Ų | 107.8 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.6 | -167.3 | 174.1 | -176.4 | -169.4 | -1.8 | 112.2 | Q661 R662 T668 M669 | Q661-R665 WeakPolarHBondContact O-CB 3.42Å; Q661-R665 PolarHBondContact O-N 2.79Å; R662-R665 PolarHBondContact O-N 2.73Å; R665-T668 PolarHBondContact O-N 2.8Å; R665-M669 WeakPolarHBondContact O-CG 3.03Å; R665-M669 PolarHBondContact O-N 2.91Å |
| 666 | L | 65.7 | Low | 68.4 | Low | 102 Ų | 102 | 103.7 Ų | 103.7 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 173.1 | -79 | 166.7 | 0 | 0 | 0 | 111.4 | R662 E663 A664 T668 M669 E670 | R662-L666 WeakPolarHBondContact O-CB 3.33Å; R662-L666 WeakPolarHBondContact O-CG 3.48Å; R662-L666 PolarHBondContact O-N 2.87Å; E663-L666 PolarHBondContact O-N 3.44Å; A664-L666 PolarHBondContact O-N 3.45Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 3.29Å; L666-M669 HydrophobicContact CD2-CE 4.42Å; L666-M669 CarbonylContact O-C 3.6Å; L666-M669 PolarHBondContact O-N 2.97Å; L666-M669 VanDerWaalsContact O-N 3.15Å; L666-E670 WeakPolarHBondContact O-CG 3.48Å; L666-E670 PolarHBondContact O-N 3.24Å |
| 667 | K | 74.9 | Confident | 69.2 | Low | 133 Ų | 133 | 102.9 Ų | 102.9 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -36.3 | 178.2 | -170.6 | 175.5 | -177.1 | 177.5 | 0 | 112.7 | E663 A664 E670 Q671 | E663-K667 WeakPolarHBondContact O-CB 3.39Å; E663-K667 PolarHBondContact O-N 3.05Å; A664-K667 PolarHBondContact O-N 3.31Å; K667-E670 PolarHBondContact O-N 3.35Å; K667-Q671 WeakPolarHBondContact O-CG 3.39Å; K667-Q671 PolarHBondContact O-N 3.21Å; K667-Q671 VanDerWaalsContact O-N 3.1Å |
| 668 | T | 76.2 | Confident | 70.2 | Confident | 69 Ų | 69 | 106.7 Ų | 106.7 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 171.8 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | A664 R665 L666 E670 Q671 E672 | A664-T668 PolarHBondContact O-N 3.09Å; A664-T668 PolarHBondContact O-OG1 3.38Å; A664-T668 VanDerWaalsContact O-OG1 3.05Å; R665-T668 PolarHBondContact O-N 2.8Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 3.29Å; T668-E670 PolarHBondContact O-N 3.36Å; T668-Q671 WeakPolarHBondContact O-CB 3.11Å; T668-Q671 PolarHBondContact O-N 2.95Å; T668-Q671 VanDerWaalsContact O-N 3.11Å; T668-E672 PolarHBondContact O-N 2.89Å |
| 669 | M | 66.6 | Low | 71.1 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 28% | 0.276 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -31.2 | 176.4 | -66.7 | -161.9 | -47 | 0 | 0 | 113.2 | L639 R665 L666 Q671 E672 L673 | L639-M669 HydrophobicContact CD1-CE 3.85Å; L639-M669 HydrophobicContact CD1-SD 3.7Å; R665-M669 WeakPolarHBondContact O-CG 3.03Å; R665-M669 PolarHBondContact O-N 2.91Å; L666-M669 HydrophobicContact CD2-CE 4.42Å; L666-M669 CarbonylContact O-C 3.6Å; L666-M669 PolarHBondContact O-N 2.97Å; L666-M669 VanDerWaalsContact O-N 3.15Å; M669-Q671 VanDerWaalsContact C-N 3.31Å; M669-Q671 PolarHBondContact O-N 2.83Å; M669-E672 PolarHBondContact O-N 3.33Å; M669-L673 WeakPolarHBondContact O-CB 3.35Å; M669-L673 WeakPolarHBondContact O-CG 3.34Å; M669-L673 PolarHBondContact O-N 3.41Å |
| 670 | E | 69.5 | Low | 71.4 | Confident | 124 Ų | 124 | 105.9 Ų | 105.9 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -36 | 169.5 | -76 | -177.3 | 162.6 | 0 | 0 | 112 | L666 K667 T668 N674 | L666-E670 WeakPolarHBondContact O-CG 3.48Å; L666-E670 PolarHBondContact O-N 3.24Å; K667-E670 PolarHBondContact O-N 3.35Å; T668-E670 PolarHBondContact O-N 3.36Å; E670-N674 WeakPolarHBondContact O-CB 3.23Å; E670-N674 VanDerWaalsContact O-CG 3.32Å; E670-N674 PolarHBondContact O-N 3.16Å; E670-N674 PolarHBondContact O-ND2 3.4Å |
| 671 | Q | 76.8 | Confident | 71.7 | Confident | 119 Ų | 119 | 103.6 Ų | 103.6 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.6 | -44.4 | 173.2 | -71.2 | 173.6 | -7.9 | 0 | 0 | 111.3 | K667 T668 M669 N674 Q675 | K667-Q671 WeakPolarHBondContact O-CG 3.39Å; K667-Q671 PolarHBondContact O-N 3.21Å; K667-Q671 VanDerWaalsContact O-N 3.1Å; T668-Q671 WeakPolarHBondContact O-CB 3.11Å; T668-Q671 PolarHBondContact O-N 2.95Å; T668-Q671 VanDerWaalsContact O-N 3.11Å; M669-Q671 VanDerWaalsContact C-N 3.31Å; M669-Q671 PolarHBondContact O-N 2.83Å; Q671-N674 PolarHBondContact O-N 3.42Å; Q671-Q675 WeakPolarHBondContact O-CB 3.49Å; Q671-Q675 PolarHBondContact O-N 2.94Å |
| 672 | E | 74.6 | Confident | 72.2 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 41% | 0.407 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.3 | -69.4 | 174.9 | 175.4 | 0 | 0 | 112.2 | T668 M669 N674 Q675 T676 | T668-E672 PolarHBondContact O-N 2.89Å; M669-E672 PolarHBondContact O-N 3.33Å; E672-N674 PolarHBondContact O-N 3.27Å; E672-Q675 PolarHBondContact O-N 3.35Å; E672-T676 WeakPolarHBondContact O-CB 3.47Å; E672-T676 PolarHBondContact O-N 3.05Å; E672-T676 PolarHBondContact O-OG1 3.46Å |
| 673 | L | 66.6 | Low | 72.5 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.1 | -79.8 | 170.1 | 0 | 0 | 0 | 112 | M669 T676 R677 | M669-L673 WeakPolarHBondContact O-CB 3.35Å; M669-L673 WeakPolarHBondContact O-CG 3.34Å; M669-L673 PolarHBondContact O-N 3.41Å; L673-T676 PolarHBondContact O-N 2.93Å; L673-R677 WeakPolarHBondContact O-CB 3.39Å; L673-R677 VanDerWaalsContact O-CG 3.3Å; L673-R677 WeakPolarHBondContact O-CG 3.18Å; L673-R677 PolarHBondContact O-N 3.31Å |
| 674 | N | 74.5 | Confident | 72.8 | Confident | 80 Ų | 80 | 93.6 Ų | 93.6 | 43% | 0.428 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69 | -34.1 | 177.1 | -77.4 | -48.7 | 0 | 0 | 0 | 112.6 | E670 Q671 E672 R678 | E670-N674 WeakPolarHBondContact O-CB 3.23Å; E670-N674 VanDerWaalsContact O-CG 3.32Å; E670-N674 PolarHBondContact O-N 3.16Å; E670-N674 PolarHBondContact O-ND2 3.4Å; Q671-N674 PolarHBondContact O-N 3.42Å; E672-N674 PolarHBondContact O-N 3.27Å; N674-R678 WeakPolarHBondContact O-CG 3.34Å; N674-R678 PolarHBondContact O-N 3.16Å; N674-R678 VanDerWaalsContact O-N 3.1Å |
| 675 | Q | 77.4 | Confident | 72.9 | Confident | 117 Ų | 117 | 98.5 Ų | 98.5 | 55% | 0.547 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 172.6 | -175.6 | 169.6 | -0.7 | 0 | 0 | 111.4 | Q671 E672 R677 R678 Q679 | Q671-Q675 WeakPolarHBondContact O-CB 3.49Å; Q671-Q675 PolarHBondContact O-N 2.94Å; E672-Q675 PolarHBondContact O-N 3.35Å; Q675-R677 PolarHBondContact O-N 3.34Å; Q675-R678 WeakPolarHBondContact O-CB 3.42Å; Q675-R678 PolarHBondContact O-N 3.34Å; Q675-Q679 WeakPolarHBondContact O-CG 3.41Å; Q675-Q679 PolarHBondContact O-N 3.31Å |
| 676 | T | 68.4 | Low | 73.1 | Confident | 31 Ų | 31 | 95.5 Ų | 95.5 | 19% | 0.19 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | I629 L632 E672 L673 R678 Q679 L680 | I629-T676 HydrophobicContact CG1-CG2 4.49Å; L632-T676 HydrophobicContact CD1-CG2 4.41Å; E672-T676 WeakPolarHBondContact O-CB 3.47Å; E672-T676 PolarHBondContact O-N 3.05Å; E672-T676 PolarHBondContact O-OG1 3.46Å; L673-T676 PolarHBondContact O-N 2.93Å; T676-R678 PolarHBondContact O-N 3.02Å; T676-Q679 PolarHBondContact O-N 2.86Å; T676-L680 PolarHBondContact O-N 3.25Å |
| 677 | R | 71.1 | Confident | 73.7 | Confident | 167 Ų | 167 | 95.5 Ų | 95.5 | 63% | 0.63 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.6 | -39.8 | 173.4 | -76.3 | 172.3 | 175 | -176.1 | -2.1 | 112.9 | L673 Q675 L680 T681 | L673-R677 WeakPolarHBondContact O-CB 3.39Å; L673-R677 VanDerWaalsContact O-CG 3.3Å; L673-R677 WeakPolarHBondContact O-CG 3.18Å; L673-R677 PolarHBondContact O-N 3.31Å; Q675-R677 PolarHBondContact O-N 3.34Å; R677-L680 PolarHBondContact O-N 3.16Å; R677-T681 PolarHBondContact O-N 3.04Å |
| 678 | R | 78.2 | Confident | 74 | Confident | 191 Ų | 191 | 95.8 Ų | 95.8 | 72% | 0.721 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 173.7 | -71.3 | 173.9 | -176.5 | 179.4 | 1.6 | 111.4 | N674 Q675 T676 L680 T681 E682 | N674-R678 WeakPolarHBondContact O-CG 3.34Å; N674-R678 PolarHBondContact O-N 3.16Å; N674-R678 VanDerWaalsContact O-N 3.1Å; Q675-R678 WeakPolarHBondContact O-CB 3.42Å; Q675-R678 PolarHBondContact O-N 3.34Å; T676-R678 PolarHBondContact O-N 3.02Å; R678-L680 VanDerWaalsContact C-N 3.31Å; R678-L680 PolarHBondContact O-N 3.18Å; R678-T681 PolarHBondContact O-N 3.31Å; R678-T681 VanDerWaalsContact O-N 3.09Å; R678-T681 PolarHBondContact O-OG1 2.89Å; R678-E682 PolarHBondContact O-N 2.84Å |
| 679 | Q | 73.6 | Confident | 74.2 | Confident | 54 Ų | 54 | 95.3 Ų | 95.3 | 25% | 0.252 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 176.6 | -70.1 | 170.3 | -28.8 | 0 | 0 | 112.4 | Y625 Q675 T676 T681 E682 L683 | Y625-Q679 HydrophobicContact CD1-CB 4.5Å; Y625-Q679 HydrophobicContact CE1-CB 3.75Å; Y625-Q679 HydrophobicContact CE1-CG 4.04Å; Q675-Q679 WeakPolarHBondContact O-CG 3.41Å; Q675-Q679 PolarHBondContact O-N 3.31Å; T676-Q679 PolarHBondContact O-N 2.86Å; Q679-T681 VanDerWaalsContact C-N 3.32Å; Q679-T681 PolarHBondContact O-N 3.48Å; Q679-E682 PolarHBondContact O-N 3.08Å; Q679-L683 PolarHBondContact O-N 2.77Å |
| 680 | L | 69.9 | Low | 74.9 | Confident | 106 Ų | 106 | 95.6 Ų | 95.6 | 56% | 0.555 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -35.1 | 173 | -172.1 | 65 | 0 | 0 | 0 | 112.8 | T676 R677 R678 L683 S684 | T676-L680 PolarHBondContact O-N 3.25Å; R677-L680 PolarHBondContact O-N 3.16Å; R678-L680 VanDerWaalsContact C-N 3.31Å; R678-L680 PolarHBondContact O-N 3.18Å; L680-L683 HydrophobicContact CD1-CD1 4.44Å; L680-L683 PolarHBondContact O-N 2.89Å; L680-S684 PolarHBondContact O-N 2.99Å; L680-S684 VanDerWaalsContact O-N 3.11Å |
| 681 | T | 75.3 | Confident | 75.6 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.4 | -32.8 | 174.4 | 60 | 0 | 0 | 0 | 0 | 113.1 | R677 R678 Q679 S684 R685 | R677-T681 PolarHBondContact O-N 3.04Å; R678-T681 PolarHBondContact O-N 3.31Å; R678-T681 VanDerWaalsContact O-N 3.09Å; R678-T681 PolarHBondContact O-OG1 2.89Å; Q679-T681 VanDerWaalsContact C-N 3.32Å; Q679-T681 PolarHBondContact O-N 3.48Å; T681-S684 WeakPolarHBondContact O-CB 3.41Å; T681-S684 PolarHBondContact O-N 2.61Å; T681-R685 PolarHBondContact O-N 3.09Å |
| 682 | E | 75.1 | Confident | 76 | Confident | 91 Ų | 91 | 91.2 Ų | 91.2 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 173.1 | -64.5 | -54.1 | 149.2 | 0 | 0 | 112.2 | R678 Q679 S684 R685 L686 | R678-E682 PolarHBondContact O-N 2.84Å; Q679-E682 PolarHBondContact O-N 3.08Å; E682-S684 VanDerWaalsContact C-N 3.28Å; E682-S684 PolarHBondContact O-N 3.33Å; E682-R685 WeakPolarHBondContact O-CB 3.41Å; E682-R685 PolarHBondContact O-N 3.33Å; E682-R685 VanDerWaalsContact O-N 3.14Å; E682-R685 IonicContact OE1-CZ 2.87Å; E682-R685 IonicContact OE1-NH1 2.71Å; E682-R685 PolarHBondContact OE1-NH1 2.89Å; E682-R685 WeakPolarHBondContact OE2-CD 3.47Å; E682-R685 IonicContact OE2-NH1 2.7Å; E682-R685 PolarHBondContact OE2-NH1 2.97Å; E682-L686 WeakPolarHBondContact O-CG 3.36Å; E682-L686 PolarHBondContact O-N 3.47Å |
| 683 | L | 71.9 | Confident | 76.5 | Confident | 12 Ų | 12 | 90.7 Ų | 90.7 | 6% | 0.063 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.7 | -38.9 | 171.6 | -75.2 | 179.2 | 0 | 0 | 0 | 112.7 | Y618 L621 L622 Y625 Q679 L680 R685 L686 K687 | Y618-L683 HydrophobicContact CE2-CD2 4.25Å; L621-L683 HydrophobicContact CD2-CD2 4.18Å; L621-L683 HydrophobicContact CG-CD2 4.23Å; L622-L683 HydrophobicContact CD1-CD1 4.28Å; Y625-L683 HydrophobicContact CD2-CD1 3.58Å; Y625-L683 HydrophobicContact CD2-CD2 3.83Å; Y625-L683 HydrophobicContact CD2-CG 3.86Å; Y625-L683 HydrophobicContact CE2-CD1 4.26Å; Y625-L683 HydrophobicContact CE2-CD2 4.03Å; Y625-L683 HydrophobicContact CE2-CG 4.08Å; Y625-L683 HydrophobicContact CG-CD1 4.04Å; Q679-L683 PolarHBondContact O-N 2.77Å; L680-L683 HydrophobicContact CD1-CD1 4.44Å; L680-L683 PolarHBondContact O-N 2.89Å; L683-R685 VanDerWaalsContact C-N 3.34Å; L683-L686 PolarHBondContact O-N 2.87Å; L683-K687 WeakPolarHBondContact O-CB 3.47Å; L683-K687 PolarHBondContact O-N 3.27Å |
| 684 | S | 74.5 | Confident | 77.4 | Confident | 64 Ų | 64 | 91.1 Ų | 91.1 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 176.1 | -170 | 0 | 0 | 0 | 0 | 112.1 | L680 T681 E682 K688 | L680-S684 PolarHBondContact O-N 2.99Å; L680-S684 VanDerWaalsContact O-N 3.11Å; T681-S684 WeakPolarHBondContact O-CB 3.41Å; T681-S684 PolarHBondContact O-N 2.61Å; E682-S684 VanDerWaalsContact C-N 3.28Å; E682-S684 PolarHBondContact O-N 3.33Å; S684-K688 WeakPolarHBondContact O-CG 3.28Å; S684-K688 PolarHBondContact O-N 3.34Å |
| 685 | R | 78.3 | Confident | 78.1 | Confident | 157 Ų | 157 | 90.1 Ų | 90.1 | 59% | 0.592 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.5 | -47 | 173.2 | -72.3 | 173 | 170.2 | 163.4 | -2.2 | 111.8 | T681 E682 L683 K687 K688 A689 | T681-R685 PolarHBondContact O-N 3.09Å; E682-R685 WeakPolarHBondContact O-CB 3.41Å; E682-R685 PolarHBondContact O-N 3.33Å; E682-R685 VanDerWaalsContact O-N 3.14Å; E682-R685 IonicContact OE1-CZ 2.87Å; E682-R685 IonicContact OE1-NH1 2.71Å; E682-R685 PolarHBondContact OE1-NH1 2.89Å; E682-R685 WeakPolarHBondContact OE2-CD 3.47Å; E682-R685 IonicContact OE2-NH1 2.7Å; E682-R685 PolarHBondContact OE2-NH1 2.97Å; L683-R685 VanDerWaalsContact C-N 3.34Å; R685-K687 VanDerWaalsContact C-N 3.35Å; R685-K687 PolarHBondContact O-N 2.78Å; R685-K688 PolarHBondContact O-N 2.93Å; R685-A689 PolarHBondContact O-N 3.37Å |
| 686 | L | 75.3 | Confident | 78.8 | Confident | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.424 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.4 | -69.8 | 171.8 | 0 | 0 | 0 | 112 | Y618 L621 E682 L683 A689 K690 | Y618-L686 HydrophobicContact CD2-CB 4.06Å; Y618-L686 HydrophobicContact CE2-CB 4.13Å; L621-L686 HydrophobicContact CD2-CD1 3.92Å; E682-L686 WeakPolarHBondContact O-CG 3.36Å; E682-L686 PolarHBondContact O-N 3.47Å; L683-L686 PolarHBondContact O-N 2.87Å; L686-A689 PolarHBondContact O-N 2.97Å; L686-K690 PolarHBondContact O-N 3.08Å |
| 687 | K | 78.1 | Confident | 79.8 | Confident | 101 Ų | 101 | 87 Ų | 87 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 175.4 | -171 | 175.2 | -171.1 | -88.3 | 0 | 112 | L683 R685 A689 K690 E691 | L683-K687 WeakPolarHBondContact O-CB 3.47Å; L683-K687 PolarHBondContact O-N 3.27Å; R685-K687 VanDerWaalsContact C-N 3.35Å; R685-K687 PolarHBondContact O-N 2.78Å; K687-A689 VanDerWaalsContact C-N 3.3Å; K687-A689 PolarHBondContact O-N 2.91Å; K687-K690 WeakPolarHBondContact O-CB 3.34Å; K687-K690 PolarHBondContact O-N 2.95Å; K687-E691 IonicContact NZ-OE1 2.62Å; K687-E691 PolarHBondContact NZ-OE1 2.85Å; K687-E691 WeakPolarHBondContact O-CG 3.34Å; K687-E691 PolarHBondContact O-N 2.93Å |
| 688 | K | 82.9 | Confident | 80.8 | Confident | 139 Ų | 139 | 83.8 Ų | 83.8 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.3 | -36.1 | 176.9 | -72.2 | -179.1 | 178.6 | -173.5 | 0 | 112.6 | S684 R685 A692 | S684-K688 WeakPolarHBondContact O-CG 3.28Å; S684-K688 PolarHBondContact O-N 3.34Å; R685-K688 PolarHBondContact O-N 2.93Å; K688-A692 WeakPolarHBondContact O-CB 3.47Å; K688-A692 PolarHBondContact O-N 3.44Å |
| 689 | A | 79.8 | Confident | 81.5 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 49% | 0.488 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R685 L686 K687 R693 | R685-A689 PolarHBondContact O-N 3.37Å; L686-A689 PolarHBondContact O-N 2.97Å; K687-A689 VanDerWaalsContact C-N 3.3Å; K687-A689 PolarHBondContact O-N 2.91Å; A689-R693 PolarHBondContact O-N 2.92Å |
| 690 | K | 81.6 | Confident | 82.5 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 27% | 0.27 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -53.4 | 171.4 | 178.4 | -179.1 | 173.1 | 176.3 | 0 | 111.3 | D615 L686 K687 A692 R693 E694 | D615-K690 IonicContact OD1-NZ 2.89Å; D615-K690 PolarHBondContact OD1-NZ 2.76Å; D615-K690 IonicContact OD2-NZ 3.34Å; D615-K690 PolarHBondContact OD2-NZ 2.83Å; L686-K690 PolarHBondContact O-N 3.08Å; K687-K690 WeakPolarHBondContact O-CB 3.34Å; K687-K690 PolarHBondContact O-N 2.95Å; K690-A692 VanDerWaalsContact C-N 3.26Å; K690-A692 PolarHBondContact O-N 2.86Å; K690-R693 PolarHBondContact O-N 3.06Å; K690-E694 WeakPolarHBondContact CE-OE1 3.16Å; K690-E694 HydrophobicContact CG-CG 4.4Å; K690-E694 IonicContact NZ-OE1 3.86Å; K690-E694 PolarHBondContact O-N 3.25Å |
| 691 | E | 83.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.4 | -41.2 | -179.9 | -71.5 | 168.3 | 170.7 | 0 | 0 | 111.8 | K687 R693 A695 | K687-E691 IonicContact NZ-OE1 2.62Å; K687-E691 PolarHBondContact NZ-OE1 2.85Å; K687-E691 WeakPolarHBondContact O-CG 3.34Å; K687-E691 PolarHBondContact O-N 2.93Å; E691-R693 PolarHBondContact O-N 2.93Å; E691-A695 WeakPolarHBondContact O-CB 3.48Å; E691-A695 PolarHBondContact O-N 2.87Å; E691-A695 VanDerWaalsContact O-N 3.08Å |
| 692 | A | 86.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | K688 K690 E696 | K688-A692 WeakPolarHBondContact O-CB 3.47Å; K688-A692 PolarHBondContact O-N 3.44Å; K690-A692 VanDerWaalsContact C-N 3.26Å; K690-A692 PolarHBondContact O-N 2.86Å; A692-E696 PolarHBondContact O-N 3.32Å; A692-E696 VanDerWaalsContact O-N 3.16Å |
| 693 | R | 83.5 | Confident | 85.5 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.8 | -37.7 | 180 | -158.2 | 115.9 | 82.1 | 72.6 | 0.1 | 112.6 | L607 A610 A689 K690 E691 E696 C697 | L607-R693 HydrophobicContact CD2-CG 4.18Å; L607-R693 PolarHBondContact O-NH1 3.09Å; A610-R693 VanDerWaalsContact C-NH2 3.3Å; A610-R693 PolarHBondContact O-NH2 3.19Å; A689-R693 PolarHBondContact O-N 2.92Å; K690-R693 PolarHBondContact O-N 3.06Å; E691-R693 PolarHBondContact O-N 2.93Å; R693-E696 PolarHBondContact O-N 3.37Å; R693-C697 PolarHBondContact O-N 2.89Å; R693-C697 PolarHBondContact O-SG 3.16Å |
| 694 | E | 85.7 | Confident | 86.5 | Confident | 98 Ų | 98 | 77.1 Ų | 77.1 | 46% | 0.458 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.7 | -70.4 | 179.2 | 155.5 | 0 | 0 | 111.5 | K690 E696 C697 L698 | K690-E694 WeakPolarHBondContact CE-OE1 3.16Å; K690-E694 HydrophobicContact CG-CG 4.4Å; K690-E694 IonicContact NZ-OE1 3.86Å; K690-E694 PolarHBondContact O-N 3.25Å; E694-E696 VanDerWaalsContact C-N 3.3Å; E694-E696 PolarHBondContact O-N 2.97Å; E694-C697 PolarHBondContact O-N 3.03Å; E694-L698 PolarHBondContact O-N 2.59Å |
| 695 | A | 89.1 | Confident | 87.4 | Confident | 59 Ų | 59 | 80.1 Ų | 80.1 | 49% | 0.488 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E691 L698 R699 | E691-A695 WeakPolarHBondContact O-CB 3.48Å; E691-A695 PolarHBondContact O-N 2.87Å; E691-A695 VanDerWaalsContact O-N 3.08Å; A695-L698 PolarHBondContact O-N 2.8Å; A695-R699 WeakPolarHBondContact O-CB 3.4Å; A695-R699 PolarHBondContact O-N 3.03Å |
| 696 | E | 91.9 | Very high | 88.2 | Confident | 73 Ų | 73 | 76.2 Ų | 76.2 | 34% | 0.341 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 174.3 | -179.8 | 158.8 | -133 | 0 | 0 | 113.1 | L607 A692 R693 E694 L698 R699 L700 | L607-E696 HydrophobicContact CD1-CG 4.01Å; A692-E696 PolarHBondContact O-N 3.32Å; A692-E696 VanDerWaalsContact O-N 3.16Å; R693-E696 PolarHBondContact O-N 3.37Å; E694-E696 VanDerWaalsContact C-N 3.3Å; E694-E696 PolarHBondContact O-N 2.97Å; E696-L698 VanDerWaalsContact C-N 3.31Å; E696-L698 PolarHBondContact O-N 3.37Å; E696-R699 WeakPolarHBondContact O-CB 3.12Å; E696-R699 PolarHBondContact O-N 2.66Å; E696-R699 IonicContact OE1-CZ 3.43Å; E696-R699 IonicContact OE1-NH2 3.81Å; E696-R699 PolarHBondContact OE1-NH2 3.11Å; E696-L700 HydrophobicContact CG-CD1 4.34Å; E696-L700 PolarHBondContact O-N 3.3Å |
| 697 | C | 90.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 74 Ų | 74 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | L604 R693 E694 L700 R701 | L604-C697 HydrophobicContact CD1-CB 3.91Å; R693-C697 PolarHBondContact O-N 2.89Å; R693-C697 PolarHBondContact O-SG 3.16Å; E694-C697 PolarHBondContact O-N 3.03Å; C697-L700 PolarHBondContact O-N 3.49Å; C697-R701 WeakPolarHBondContact O-CG 3.08Å; C697-R701 PolarHBondContact O-N 2.89Å |
| 698 | L | 92 | Very high | 89.9 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 175.3 | -175 | 62.2 | 0 | 0 | 0 | 112 | E694 A695 E696 R701 N702 | E694-L698 PolarHBondContact O-N 2.59Å; A695-L698 PolarHBondContact O-N 2.8Å; E696-L698 VanDerWaalsContact C-N 3.31Å; E696-L698 PolarHBondContact O-N 3.37Å; L698-R701 PolarHBondContact O-N 3.25Å; L698-N702 PolarHBondContact O-N 3.48Å; L698-N702 VanDerWaalsContact O-N 3.1Å; L698-N702 PolarHBondContact O-ND2 2.88Å |
| 699 | R | 93.6 | Very high | 90.4 | Very high | 105 Ų | 105 | 70.4 Ų | 70.4 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 173.6 | 179.7 | -173.8 | 66.6 | 82.3 | -6 | 111.5 | A695 E696 R701 N702 E703 | A695-R699 WeakPolarHBondContact O-CB 3.4Å; A695-R699 PolarHBondContact O-N 3.03Å; E696-R699 WeakPolarHBondContact O-CB 3.12Å; E696-R699 PolarHBondContact O-N 2.66Å; E696-R699 IonicContact OE1-CZ 3.43Å; E696-R699 IonicContact OE1-NH2 3.81Å; E696-R699 PolarHBondContact OE1-NH2 3.11Å; R699-R701 PolarHBondContact O-N 3.29Å; R699-N702 PolarHBondContact O-N 3.28Å; R699-E703 WeakPolarHBondContact CG-OE1 3.44Å; R699-E703 IonicContact CZ-OE1 3.46Å; R699-E703 IonicContact NH1-OE1 2.68Å; R699-E703 PolarHBondContact NH1-OE1 2.84Å; R699-E703 IonicContact NH1-OE2 3.4Å; R699-E703 PolarHBondContact NH1-OE2 3.26Å; R699-E703 WeakPolarHBondContact O-CG 3.11Å; R699-E703 PolarHBondContact O-N 3.16Å |
| 700 | L | 94.5 | Very high | 91 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | -179.5 | -73 | 173.6 | 0 | 0 | 0 | 112.4 | K600 L603 L604 L607 E696 C697 N702 E703 I704 | K600-L700 HydrophobicContact CD-CD2 4.47Å; L603-L700 HydrophobicContact CD2-CD1 3.9Å; L603-L700 HydrophobicContact CD2-CD2 4.2Å; L603-L700 HydrophobicContact CG-CD1 3.94Å; L604-L700 HydrophobicContact CB-CD1 4.43Å; L604-L700 HydrophobicContact CD1-CB 4.23Å; L607-L700 HydrophobicContact CD1-CD1 3.46Å; L607-L700 VanDerWaalsContact CD1-CD1 3.46Å; E696-L700 HydrophobicContact CG-CD1 4.34Å; E696-L700 PolarHBondContact O-N 3.3Å; C697-L700 PolarHBondContact O-N 3.49Å; L700-N702 PolarHBondContact O-N 3Å; L700-E703 PolarHBondContact O-N 3.15Å; L700-I704 WeakPolarHBondContact O-CB 3.49Å; L700-I704 WeakPolarHBondContact O-CD1 3.46Å; L700-I704 VanDerWaalsContact O-CG1 3.25Å; L700-I704 WeakPolarHBondContact O-CG1 3.5Å; L700-I704 PolarHBondContact O-N 3.49Å |
| 701 | R | 92.6 | Very high | 91.6 | Very high | 127 Ų | 127 | 68.8 Ų | 68.8 | 48% | 0.479 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 174.7 | -72.7 | 173 | -175.1 | 165.4 | -3.2 | 111.8 | L604 E608 C697 L698 R699 E703 I704 Q705 | L604-R701 HydrophobicContact CD1-CG 4.09Å; L604-R701 HydrophobicContact CD2-CG 3.56Å; L604-R701 HydrophobicContact CG-CG 4.49Å; E608-R701 IonicContact OE1-CZ 2.66Å; E608-R701 VanDerWaalsContact OE1-CZ 3.26Å; E608-R701 IonicContact OE1-NE 3.7Å; E608-R701 PolarHBondContact OE1-NE 3.35Å; E608-R701 VanDerWaalsContact OE1-NE 3.09Å; E608-R701 IonicContact OE1-NH2 3.26Å; E608-R701 PolarHBondContact OE1-NH2 2.8Å; C697-R701 WeakPolarHBondContact O-CG 3.08Å; C697-R701 PolarHBondContact O-N 2.89Å; L698-R701 PolarHBondContact O-N 3.25Å; R699-R701 PolarHBondContact O-N 3.29Å; R701-E703 PolarHBondContact O-N 3.34Å; R701-I704 PolarHBondContact O-N 3.07Å; R701-Q705 PolarHBondContact O-N 2.87Å |
| 702 | N | 93.6 | Very high | 92 | Very high | 89 Ų | 89 | 70 Ų | 70 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.7 | -69.8 | -20.8 | 0 | 0 | 0 | 112 | L698 R699 L700 Q705 S706 | L698-N702 PolarHBondContact O-N 3.48Å; L698-N702 VanDerWaalsContact O-N 3.1Å; L698-N702 PolarHBondContact O-ND2 2.88Å; R699-N702 PolarHBondContact O-N 3.28Å; L700-N702 PolarHBondContact O-N 3Å; N702-Q705 PolarHBondContact O-N 3.05Å; N702-S706 PolarHBondContact O-N 2.89Å |
| 703 | E | 95.5 | Very high | 92.3 | Very high | 58 Ų | 58 | 74.6 Ų | 74.6 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.5 | -73.5 | 175.7 | -158.1 | 0 | 0 | 112.6 | K600 R699 L700 R701 S706 L707 | K600-E703 HydrophobicContact CD-CB 4.44Å; K600-E703 IonicContact NZ-OE2 2.8Å; K600-E703 PolarHBondContact NZ-OE2 2.99Å; R699-E703 WeakPolarHBondContact CG-OE1 3.44Å; R699-E703 IonicContact CZ-OE1 3.46Å; R699-E703 IonicContact NH1-OE1 2.68Å; R699-E703 PolarHBondContact NH1-OE1 2.84Å; R699-E703 IonicContact NH1-OE2 3.4Å; R699-E703 PolarHBondContact NH1-OE2 3.26Å; R699-E703 WeakPolarHBondContact O-CG 3.11Å; R699-E703 PolarHBondContact O-N 3.16Å; L700-E703 PolarHBondContact O-N 3.15Å; R701-E703 PolarHBondContact O-N 3.34Å; E703-S706 PolarHBondContact O-N 3.37Å; E703-L707 WeakPolarHBondContact O-CB 3.46Å; E703-L707 WeakPolarHBondContact O-CG 3.4Å; E703-L707 PolarHBondContact O-N 3.49Å |
| 704 | I | 94.6 | Very high | 92.6 | Very high | 8 Ų | 8 | 71.6 Ų | 71.6 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.8 | -69.6 | 156.6 | 0 | 0 | 0 | 110.8 | I597 K600 N601 L604 L700 R701 L707 K708 | I597-I704 HydrophobicContact CG2-CG2 4.38Å; K600-I704 HydrophobicContact CB-CD1 3.95Å; K600-I704 HydrophobicContact CB-CG1 3.72Å; N601-I704 WeakPolarHBondContact OD1-CD1 3.47Å; L604-I704 HydrophobicContact CB-CD1 4.43Å; L604-I704 HydrophobicContact CD2-CD1 3.86Å; L700-I704 WeakPolarHBondContact O-CB 3.49Å; L700-I704 WeakPolarHBondContact O-CD1 3.46Å; L700-I704 VanDerWaalsContact O-CG1 3.25Å; L700-I704 WeakPolarHBondContact O-CG1 3.5Å; L700-I704 PolarHBondContact O-N 3.49Å; R701-I704 PolarHBondContact O-N 3.07Å; I704-L707 PolarHBondContact O-N 3.13Å; I704-K708 HydrophobicContact CG2-CD 4.28Å; I704-K708 WeakPolarHBondContact O-CG 3.45Å; I704-K708 PolarHBondContact O-N 2.77Å |
| 705 | Q | 93.4 | Very high | 92.8 | Very high | 128 Ų | 128 | 69.1 Ų | 69.1 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.2 | -39.7 | 175.7 | -174.3 | 174.8 | -4 | 0 | 0 | 112.2 | R701 N702 K708 S709 | R701-Q705 PolarHBondContact O-N 2.87Å; N702-Q705 PolarHBondContact O-N 3.05Å; Q705-K708 PolarHBondContact O-N 3.03Å; Q705-S709 WeakPolarHBondContact O-CB 3.43Å; Q705-S709 PolarHBondContact O-N 3.15Å; Q705-S709 PolarHBondContact O-OG 2.84Å |
| 706 | S | 94.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 72.8 Ų | 72.8 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 172.9 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | N702 E703 S709 S710 | N702-S706 PolarHBondContact O-N 2.89Å; E703-S706 PolarHBondContact O-N 3.37Å; S706-S709 CarbonylContact O-C 3.59Å; S706-S709 WeakPolarHBondContact O-CB 3.43Å; S706-S709 PolarHBondContact O-N 3Å; S706-S710 PolarHBondContact O-N 3.42Å |
| 707 | L | 95.5 | Very high | 92.7 | Very high | 35 Ų | 35 | 72.5 Ų | 72.5 | 18% | 0.183 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.2 | -73.2 | 170.7 | 0 | 0 | 0 | 112.4 | I593 T596 I597 K600 E703 I704 S709 S710 M711 | I593-L707 HydrophobicContact CG2-CB 4.21Å; I593-L707 HydrophobicContact CG2-CD2 4.37Å; I593-L707 WeakPolarHBondContact CG2-O 3.47Å; T596-L707 HydrophobicContact CG2-CD1 3.69Å; I597-L707 HydrophobicContact CD1-CB 3.93Å; I597-L707 HydrophobicContact CG1-CB 3.64Å; I597-L707 HydrophobicContact CG1-CD1 4.13Å; K600-L707 HydrophobicContact CD-CD1 3.94Å; E703-L707 WeakPolarHBondContact O-CB 3.46Å; E703-L707 WeakPolarHBondContact O-CG 3.4Å; E703-L707 PolarHBondContact O-N 3.49Å; I704-L707 PolarHBondContact O-N 3.13Å; L707-S709 VanDerWaalsContact C-N 3.28Å; L707-S709 PolarHBondContact O-N 3.09Å; L707-S710 WeakPolarHBondContact O-CA 3.46Å; L707-S710 VanDerWaalsContact O-CB 3.3Å; L707-S710 WeakPolarHBondContact O-CB 3.27Å; L707-S710 PolarHBondContact O-N 3.44Å; L707-M711 PolarHBondContact O-N 3.15Å |
| 708 | K | 94.1 | Very high | 92.8 | Very high | 104 Ų | 104 | 74.2 Ų | 74.2 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 173.3 | -74.8 | 174.8 | 179.1 | 178.4 | 0 | 111.7 | I597 I704 Q705 S710 M711 I712 | I597-K708 HydrophobicContact CD1-CG 3.93Å; I704-K708 HydrophobicContact CG2-CD 4.28Å; I704-K708 WeakPolarHBondContact O-CG 3.45Å; I704-K708 PolarHBondContact O-N 2.77Å; Q705-K708 PolarHBondContact O-N 3.03Å; K708-S710 VanDerWaalsContact C-N 3.29Å; K708-S710 PolarHBondContact O-N 3.45Å; K708-M711 WeakPolarHBondContact O-CB 3.4Å; K708-M711 PolarHBondContact O-N 2.72Å; K708-I712 WeakPolarHBondContact O-CG1 3.49Å; K708-I712 PolarHBondContact O-N 3.49Å; K708-I712 VanDerWaalsContact O-N 3.11Å |
| 709 | S | 91.5 | Very high | 92.5 | Very high | 60 Ų | 60 | 77 Ų | 77 | 42% | 0.42 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.3 | -25.4 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 113 | Q705 S706 L707 R713 | Q705-S709 WeakPolarHBondContact O-CB 3.43Å; Q705-S709 PolarHBondContact O-N 3.15Å; Q705-S709 PolarHBondContact O-OG 2.84Å; S706-S709 CarbonylContact O-C 3.59Å; S706-S709 WeakPolarHBondContact O-CB 3.43Å; S706-S709 PolarHBondContact O-N 3Å; L707-S709 VanDerWaalsContact C-N 3.28Å; L707-S709 PolarHBondContact O-N 3.09Å; S709-R713 WeakPolarHBondContact O-CG 3.25Å; S709-R713 PolarHBondContact O-NE 3.46Å |
| 710 | S | 92.9 | Very high | 92.1 | Very high | 36 Ų | 36 | 76.8 Ų | 76.8 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.1 | -45.4 | 170.1 | -153.8 | 0 | 0 | 0 | 0 | 111.8 | S706 L707 K708 I712 R713 S714 | S706-S710 PolarHBondContact O-N 3.42Å; L707-S710 WeakPolarHBondContact O-CA 3.46Å; L707-S710 VanDerWaalsContact O-CB 3.3Å; L707-S710 WeakPolarHBondContact O-CB 3.27Å; L707-S710 PolarHBondContact O-N 3.44Å; K708-S710 VanDerWaalsContact C-N 3.29Å; K708-S710 PolarHBondContact O-N 3.45Å; S710-I712 VanDerWaalsContact C-N 3.35Å; S710-I712 PolarHBondContact O-N 2.87Å; S710-R713 WeakPolarHBondContact O-CB 3.31Å; S710-R713 PolarHBondContact O-N 3.16Å; S710-R713 VanDerWaalsContact O-N 3.09Å; S710-S714 PolarHBondContact O-N 3.41Å; S710-S714 PolarHBondContact O-OG 3.05Å |
| 711 | M | 94.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 77.5 Ų | 77.5 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 177.8 | -167.3 | -174 | 78.3 | 0 | 0 | 112.2 | I590 I593 E594 I597 L707 K708 R713 S714 A715 | I590-M711 HydrophobicContact CG2-CG 4.21Å; I593-M711 HydrophobicContact CG2-CB 3.84Å; I593-M711 HydrophobicContact CG2-CG 4.36Å; E594-M711 HydrophobicContact CG-SD 3.72Å; I597-M711 HydrophobicContact CD1-SD 4.37Å; L707-M711 PolarHBondContact O-N 3.15Å; K708-M711 WeakPolarHBondContact O-CB 3.4Å; K708-M711 PolarHBondContact O-N 2.72Å; M711-R713 VanDerWaalsContact C-N 3.31Å; M711-R713 PolarHBondContact O-N 3.22Å; M711-S714 PolarHBondContact O-N 3.15Å; M711-A715 WeakPolarHBondContact O-CB 3.49Å; M711-A715 PolarHBondContact O-N 2.81Å |
| 712 | I | 92.4 | Very high | 91.2 | Very high | 111 Ų | 111 | 72.8 Ų | 72.8 | 57% | 0.569 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.4 | -37.5 | 178.1 | -66.5 | 165.8 | 0 | 0 | 0 | 111.4 | K708 S710 A715 K716 | K708-I712 WeakPolarHBondContact O-CG1 3.49Å; K708-I712 PolarHBondContact O-N 3.49Å; K708-I712 VanDerWaalsContact O-N 3.11Å; S710-I712 VanDerWaalsContact C-N 3.35Å; S710-I712 PolarHBondContact O-N 2.87Å; I712-A715 PolarHBondContact O-N 3.38Å; I712-K716 PolarHBondContact O-N 2.93Å |
| 713 | R | 91.8 | Very high | 90.8 | Very high | 162 Ų | 162 | 72.7 Ų | 72.7 | 61% | 0.611 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 175.3 | -74.6 | 178.9 | -73.7 | 152.4 | -3.4 | 111.4 | S709 S710 M711 A715 K716 Q717 | S709-R713 WeakPolarHBondContact O-CG 3.25Å; S709-R713 PolarHBondContact O-NE 3.46Å; S710-R713 WeakPolarHBondContact O-CB 3.31Å; S710-R713 PolarHBondContact O-N 3.16Å; S710-R713 VanDerWaalsContact O-N 3.09Å; M711-R713 VanDerWaalsContact C-N 3.31Å; M711-R713 PolarHBondContact O-N 3.22Å; R713-A715 VanDerWaalsContact C-N 3.34Å; R713-A715 PolarHBondContact O-N 3.33Å; R713-K716 PolarHBondContact O-N 3.37Å; R713-Q717 PolarHBondContact O-N 2.98Å |
| 714 | S | 90.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 72 Ų | 72 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | S710 M711 Q717 L718 | S710-S714 PolarHBondContact O-N 3.41Å; S710-S714 PolarHBondContact O-OG 3.05Å; M711-S714 PolarHBondContact O-N 3.15Å; S714-Q717 PolarHBondContact O-N 3.39Å; S714-L718 WeakPolarHBondContact O-CB 3.29Å; S714-L718 PolarHBondContact O-N 3.31Å |
| 715 | A | 90.5 | Very high | 89.4 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I590 M711 I712 R713 K719 | I590-A715 HydrophobicContact CD1-CB 4.23Å; M711-A715 WeakPolarHBondContact O-CB 3.49Å; M711-A715 PolarHBondContact O-N 2.81Å; I712-A715 PolarHBondContact O-N 3.38Å; R713-A715 VanDerWaalsContact C-N 3.34Å; R713-A715 PolarHBondContact O-N 3.33Å; A715-K719 PolarHBondContact O-N 3.38Å |
| 716 | K | 90.6 | Very high | 88.9 | Confident | 136 Ų | 136 | 76.4 Ų | 76.4 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 172.2 | -177.4 | 176.7 | 169.5 | -179.9 | 0 | 111.1 | I712 R713 L718 K719 E720 | I712-K716 PolarHBondContact O-N 2.93Å; R713-K716 PolarHBondContact O-N 3.37Å; K716-L718 VanDerWaalsContact C-N 3.33Å; K716-L718 PolarHBondContact O-N 3.36Å; K716-K719 WeakPolarHBondContact O-CB 3.45Å; K716-K719 PolarHBondContact O-N 3.44Å; K716-K719 VanDerWaalsContact O-N 3.14Å; K716-E720 WeakPolarHBondContact CE-OE1 3.4Å; K716-E720 IonicContact NZ-OE1 3.09Å; K716-E720 PolarHBondContact O-N 3.05Å; K716-E720 VanDerWaalsContact O-N 3.09Å |
| 717 | Q | 88.1 | Confident | 88.3 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 175.7 | -177.5 | 179.5 | -11.3 | 0 | 0 | 111.9 | C586 R713 S714 K719 E720 E721 | C586-Q717 VanDerWaalsContact SG-CD 3.58Å; C586-Q717 PolarHBondContact SG-NE2 3.36Å; R713-Q717 PolarHBondContact O-N 2.98Å; S714-Q717 PolarHBondContact O-N 3.39Å; Q717-K719 VanDerWaalsContact C-N 3.28Å; Q717-K719 PolarHBondContact O-N 3.32Å; Q717-E720 PolarHBondContact O-N 2.94Å; Q717-E721 HydrophobicContact CG-CG 4.29Å; Q717-E721 PolarHBondContact NE2-OE1 3.02Å; Q717-E721 WeakPolarHBondContact O-CB 3.5Å; Q717-E721 WeakPolarHBondContact O-CG 3.45Å; Q717-E721 PolarHBondContact O-N 3Å |
| 718 | L | 91.1 | Very high | 87.7 | Confident | 45 Ų | 45 | 79.7 Ų | 79.7 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.9 | -38.3 | 176.9 | -176.7 | 67.6 | 0 | 0 | 0 | 112.6 | R583 C586 I590 S714 K716 S722 | R583-L718 HydrophobicContact CB-CD1 4.36Å; R583-L718 HydrophobicContact CG-CD1 3.62Å; R583-L718 VanDerWaalsContact O-CD1 3.29Å; R583-L718 WeakPolarHBondContact O-CD1 3.2Å; C586-L718 HydrophobicContact CB-CB 4.27Å; C586-L718 HydrophobicContact CB-CD1 3.91Å; I590-L718 HydrophobicContact CD1-CB 4.48Å; I590-L718 HydrophobicContact CD1-CD2 3.95Å; S714-L718 WeakPolarHBondContact O-CB 3.29Å; S714-L718 PolarHBondContact O-N 3.31Å; K716-L718 VanDerWaalsContact C-N 3.33Å; K716-L718 PolarHBondContact O-N 3.36Å; L718-S722 WeakPolarHBondContact O-CB 3.36Å; L718-S722 PolarHBondContact O-N 3.4Å |
| 719 | K | 86.4 | Confident | 87.1 | Confident | 157 Ų | 157 | 82.1 Ų | 82.1 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 176.7 | -170.8 | 179.3 | 179.5 | -177.1 | 0 | 111.3 | A715 K716 Q717 S722 T723 | A715-K719 PolarHBondContact O-N 3.38Å; K716-K719 WeakPolarHBondContact O-CB 3.45Å; K716-K719 PolarHBondContact O-N 3.44Å; K716-K719 VanDerWaalsContact O-N 3.14Å; Q717-K719 VanDerWaalsContact C-N 3.28Å; Q717-K719 PolarHBondContact O-N 3.32Å; K719-S722 PolarHBondContact O-N 3.04Å; K719-T723 PolarHBondContact O-N 2.91Å; K719-T723 PolarHBondContact O-OG1 2.78Å |
| 720 | E | 85.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 86.7 Ų | 86.7 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 177.7 | -70.3 | 167.7 | -178.5 | 0 | 0 | 111 | K716 Q717 S722 T723 A724 | K716-E720 WeakPolarHBondContact CE-OE1 3.4Å; K716-E720 IonicContact NZ-OE1 3.09Å; K716-E720 PolarHBondContact O-N 3.05Å; K716-E720 VanDerWaalsContact O-N 3.09Å; Q717-E720 PolarHBondContact O-N 2.94Å; E720-S722 VanDerWaalsContact C-N 3.3Å; E720-S722 PolarHBondContact O-N 2.95Å; E720-T723 PolarHBondContact O-N 3.49Å; E720-T723 VanDerWaalsContact O-N 3.07Å; E720-T723 PolarHBondContact O-OG1 3.2Å; E720-A724 PolarHBondContact O-N 3.38Å |
| 721 | E | 85 | Confident | 85.9 | Confident | 17 Ų | 17 | 89.3 Ų | 89.3 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 177.1 | -70.2 | 179.7 | 167.6 | 0 | 0 | 112.2 | R582 C586 Q717 T723 A724 Y725 | R582-E721 IonicContact CZ-OE1 3.35Å; R582-E721 VanDerWaalsContact CZ-OE1 3.3Å; R582-E721 IonicContact NE-OE1 2.67Å; R582-E721 PolarHBondContact NE-OE1 3.27Å; R582-E721 IonicContact NH2-OE1 3.21Å; R582-E721 PolarHBondContact NH2-OE1 3.26Å; C586-E721 PolarHBondContact SG-OE2 3.01Å; Q717-E721 HydrophobicContact CG-CG 4.29Å; Q717-E721 PolarHBondContact NE2-OE1 3.02Å; Q717-E721 WeakPolarHBondContact O-CB 3.5Å; Q717-E721 WeakPolarHBondContact O-CG 3.45Å; Q717-E721 PolarHBondContact O-N 3Å; E721-T723 PolarHBondContact O-N 2.92Å; E721-A724 PolarHBondContact O-N 3.35Å; E721-Y725 PolarHBondContact O-N 3.43Å |
| 722 | S | 83.1 | Confident | 85.2 | Confident | 29 Ų | 29 | 90.7 Ų | 90.7 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.1 | -31 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 113.5 | L718 K719 E720 R726 | L718-S722 WeakPolarHBondContact O-CB 3.36Å; L718-S722 PolarHBondContact O-N 3.4Å; K719-S722 PolarHBondContact O-N 3.04Å; E720-S722 VanDerWaalsContact C-N 3.3Å; E720-S722 PolarHBondContact O-N 2.95Å; S722-R726 WeakPolarHBondContact O-CG 3.37Å; S722-R726 PolarHBondContact O-N 3.38Å |
| 723 | T | 84.4 | Confident | 84.2 | Confident | 86 Ų | 86 | 90.1 Ų | 90.1 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.1 | -40.6 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | K719 E720 E721 Y725 R726 K727 | K719-T723 PolarHBondContact O-N 2.91Å; K719-T723 PolarHBondContact O-OG1 2.78Å; E720-T723 PolarHBondContact O-N 3.49Å; E720-T723 VanDerWaalsContact O-N 3.07Å; E720-T723 PolarHBondContact O-OG1 3.2Å; E721-T723 PolarHBondContact O-N 2.92Å; T723-Y725 VanDerWaalsContact C-N 3.33Å; T723-Y725 PolarHBondContact O-N 3.18Å; T723-R726 PolarHBondContact O-N 3.24Å; T723-K727 PolarHBondContact O-N 3.01Å; T723-K727 VanDerWaalsContact O-N 3.13Å |
| 724 | A | 81.2 | Confident | 83.5 | Confident | 45 Ų | 45 | 85.8 Ų | 85.8 | 37% | 0.372 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L579 E720 E721 R726 K727 W728 | L579-A724 HydrophobicContact CD2-CB 4.35Å; E720-A724 PolarHBondContact O-N 3.38Å; E721-A724 PolarHBondContact O-N 3.35Å; A724-R726 VanDerWaalsContact C-N 3.35Å; A724-R726 PolarHBondContact O-N 2.88Å; A724-K727 PolarHBondContact O-N 3.17Å; A724-W728 WeakPolarHBondContact O-CB 3.45Å; A724-W728 PolarHBondContact O-N 3.14Å |
| 725 | Y | 80.3 | Confident | 82.8 | Confident | 41 Ų | 41 | 89.3 Ų | 89.3 | 16% | 0.161 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 177.2 | -175.5 | -106.1 | 0 | 0 | 0 | 113.3 | L579 R580 E721 T723 W728 R729 | L579-Y725 HydrophobicContact CB-CD2 3.83Å; L579-Y725 HydrophobicContact CD2-CD2 4.08Å; R580-Y725 HydrophobicContact CG-CE2 4.32Å; R580-Y725 PolarHBondContact NH1-OH 3.35Å; E721-Y725 PolarHBondContact O-N 3.43Å; T723-Y725 VanDerWaalsContact C-N 3.33Å; T723-Y725 PolarHBondContact O-N 3.18Å; Y725-W728 HydrophobicContact CD2-CE3 4.45Å; Y725-W728 HydrophobicContact CE2-CE3 4.39Å; Y725-W728 HydrophobicContact CE2-CZ3 4.36Å; Y725-R729 WeakPolarHBondContact O-CB 3.39Å; Y725-R729 PolarHBondContact O-N 3.45Å |
| 726 | R | 82.2 | Confident | 81.8 | Confident | 186 Ų | 186 | 90.6 Ų | 90.6 | 70% | 0.702 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.5 | -42.5 | 177.3 | -70.4 | 178.2 | -174.2 | -167 | 1.3 | 111.9 | S722 T723 A724 K730 | S722-R726 WeakPolarHBondContact O-CG 3.37Å; S722-R726 PolarHBondContact O-N 3.38Å; T723-R726 PolarHBondContact O-N 3.24Å; A724-R726 VanDerWaalsContact C-N 3.35Å; A724-R726 PolarHBondContact O-N 2.88Å; R726-K730 PolarHBondContact O-N 3.1Å |
| 727 | K | 81.7 | Confident | 81.1 | Confident | 140 Ų | 140 | 89.5 Ų | 89.5 | 61% | 0.609 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.7 | -53.1 | 178 | -179.3 | 174.2 | 172.6 | 176.7 | 0 | 110.9 | T723 A724 R729 K730 E731 | T723-K727 PolarHBondContact O-N 3.01Å; T723-K727 VanDerWaalsContact O-N 3.13Å; A724-K727 PolarHBondContact O-N 3.17Å; K727-R729 VanDerWaalsContact C-N 3.33Å; K727-R729 PolarHBondContact O-N 3.47Å; K727-K730 PolarHBondContact O-N 2.76Å; K727-K730 VanDerWaalsContact O-N 3.12Å; K727-E731 WeakPolarHBondContact CE-OE1 3.41Å; K727-E731 WeakPolarHBondContact CG-OE1 3.33Å; K727-E731 IonicContact NZ-OE1 3.57Å; K727-E731 PolarHBondContact O-N 3.04Å |
| 728 | W | 83.8 | Confident | 80.7 | Confident | 39 Ų | 39 | 93.6 Ų | 93.6 | 15% | 0.148 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 179.2 | 173.8 | 85.1 | 0 | 0 | 0 | 112.7 | D573 W575 A724 Y725 K730 E731 K732 | D573-W728 VanDerWaalsContact CG-CH2 3.44Å; D573-W728 WeakPolarHBondContact OD1-CH2 3.29Å; D573-W728 VanDerWaalsContact OD1-CZ2 3.31Å; D573-W728 WeakPolarHBondContact OD1-CZ2 3.26Å; W575-W728 HydrophobicContact CB-CZ2 4.44Å; W575-W728 HydrophobicContact CE3-CB 4.45Å; W575-W728 AromaticContact CE3-CD1 3.21Å; W575-W728 HydrophobicContact CE3-CD2 4.12Å; W575-W728 AromaticContact CE3-CE2 3.98Å; W575-W728 AromaticContact CE3-CG 3.67Å; W575-W728 HydrophobicContact CE3-CG 3.67Å; W575-W728 AromaticContact CE3-NE1 3.35Å; W575-W728 VanDerWaalsContact CE3-NE1 3.35Å; W575-W728 HydrophobicContact CZ3-CB 4.07Å; W575-W728 AromaticContact CZ3-CD1 3.32Å; W575-W728 AromaticContact CZ3-CG 3.72Å; W575-W728 HydrophobicContact CZ3-CG 3.72Å; W575-W728 AromaticContact CZ3-NE1 3.96Å; A724-W728 WeakPolarHBondContact O-CB 3.45Å; A724-W728 PolarHBondContact O-N 3.14Å; Y725-W728 HydrophobicContact CD2-CE3 4.45Å; Y725-W728 HydrophobicContact CE2-CE3 4.39Å; Y725-W728 HydrophobicContact CE2-CZ3 4.36Å; W728-K730 VanDerWaalsContact C-N 3.33Å; W728-K730 PolarHBondContact O-N 2.63Å; W728-E731 PolarHBondContact O-N 2.83Å; W728-K732 HydrophobicContact CD2-CG 4.28Å; W728-K732 HydrophobicContact CH2-CG 4.13Å; W728-K732 HydrophobicContact CZ2-CB 4.48Å; W728-K732 HydrophobicContact CZ2-CG 3.56Å; W728-K732 PolarHBondContact O-N 3.33Å |
| 729 | R | 80.6 | Confident | 79.7 | Confident | 155 Ų | 155 | 96.5 Ų | 96.5 | 59% | 0.585 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 177.2 | -178.8 | 179.2 | 174.1 | 178.6 | 1.1 | 111.9 | Y725 K727 E733 | Y725-R729 WeakPolarHBondContact O-CB 3.39Å; Y725-R729 PolarHBondContact O-N 3.45Å; K727-R729 VanDerWaalsContact C-N 3.33Å; K727-R729 PolarHBondContact O-N 3.47Å; R729-E733 PolarHBondContact O-N 3.02Å |
| 730 | K | 81 | Confident | 78.8 | Confident | 155 Ų | 155 | 95 Ų | 95 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 178.1 | -171.6 | -178.8 | 179 | -174.7 | 0 | 111.3 | R726 K727 W728 E733 T734 | R726-K730 PolarHBondContact O-N 3.1Å; K727-K730 PolarHBondContact O-N 2.76Å; K727-K730 VanDerWaalsContact O-N 3.12Å; W728-K730 VanDerWaalsContact C-N 3.33Å; W728-K730 PolarHBondContact O-N 2.63Å; K730-E733 PolarHBondContact O-N 3.07Å; K730-T734 WeakPolarHBondContact O-CG2 3.33Å; K730-T734 PolarHBondContact O-N 3.37Å |
| 731 | E | 78.3 | Confident | 78 | Confident | 92 Ų | 92 | 93.1 Ų | 93.1 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -50.8 | 176.4 | -71.3 | 166.4 | 173.6 | 0 | 0 | 111 | K727 W728 E733 T734 E735 | K727-E731 WeakPolarHBondContact CE-OE1 3.41Å; K727-E731 WeakPolarHBondContact CG-OE1 3.33Å; K727-E731 IonicContact NZ-OE1 3.57Å; K727-E731 PolarHBondContact O-N 3.04Å; W728-E731 PolarHBondContact O-N 2.83Å; E731-E733 PolarHBondContact O-N 2.86Å; E731-T734 PolarHBondContact O-N 3.43Å; E731-T734 VanDerWaalsContact O-N 3.07Å; E731-T734 PolarHBondContact O-OG1 2.86Å; E731-E735 PolarHBondContact O-N 3.15Å |
| 732 | K | 79.4 | Confident | 77.3 | Confident | 80 Ų | 80 | 97.7 Ų | 97.7 | 35% | 0.348 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 178.2 | -73.9 | -50.2 | -167.8 | -179.4 | 0 | 114 | W728 T734 E735 V736 | W728-K732 HydrophobicContact CD2-CG 4.28Å; W728-K732 HydrophobicContact CH2-CG 4.13Å; W728-K732 HydrophobicContact CZ2-CB 4.48Å; W728-K732 HydrophobicContact CZ2-CG 3.56Å; W728-K732 PolarHBondContact O-N 3.33Å; K732-T734 VanDerWaalsContact C-N 3.28Å; K732-T734 PolarHBondContact O-N 2.93Å; K732-E735 WeakPolarHBondContact CD-OE2 3.49Å; K732-E735 WeakPolarHBondContact CE-OE2 3.37Å; K732-E735 IonicContact NZ-OE1 3.26Å; K732-E735 PolarHBondContact NZ-OE1 3.17Å; K732-E735 IonicContact NZ-OE2 2.89Å; K732-E735 PolarHBondContact NZ-OE2 3.46Å; K732-E735 PolarHBondContact O-N 3.29Å; K732-V736 WeakPolarHBondContact O-CG2 3.45Å; K732-V736 PolarHBondContact O-N 2.74Å |
| 733 | E | 72.1 | Confident | 76.7 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 173.9 | -161.8 | -169.2 | 136.1 | 0 | 0 | 112.3 | R729 K730 E731 K737 | R729-E733 PolarHBondContact O-N 3.02Å; K730-E733 PolarHBondContact O-N 3.07Å; E731-E733 PolarHBondContact O-N 2.86Å; E733-K737 WeakPolarHBondContact O-CG 3.33Å; E733-K737 PolarHBondContact O-N 3.21Å; E733-K737 IonicContact OE1-NZ 3.73Å; E733-K737 PolarHBondContact OE1-NZ 2.88Å |
| 734 | T | 77 | Confident | 76 | Confident | 72 Ų | 72 | 103.2 Ų | 103.2 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76 | -30.4 | 175.3 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | K730 E731 K732 K738 | K730-T734 WeakPolarHBondContact O-CG2 3.33Å; K730-T734 PolarHBondContact O-N 3.37Å; E731-T734 PolarHBondContact O-N 3.43Å; E731-T734 VanDerWaalsContact O-N 3.07Å; E731-T734 PolarHBondContact O-OG1 2.86Å; K732-T734 VanDerWaalsContact C-N 3.28Å; K732-T734 PolarHBondContact O-N 2.93Å; T734-K738 WeakPolarHBondContact O-CG 3.31Å; T734-K738 PolarHBondContact O-N 3.49Å |
| 735 | E | 75.6 | Confident | 75.3 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 176.3 | -168.9 | 179.7 | 148.4 | 0 | 0 | 111.1 | E731 K732 K737 K738 L739 | E731-E735 PolarHBondContact O-N 3.15Å; K732-E735 WeakPolarHBondContact CD-OE2 3.49Å; K732-E735 WeakPolarHBondContact CE-OE2 3.37Å; K732-E735 IonicContact NZ-OE1 3.26Å; K732-E735 PolarHBondContact NZ-OE1 3.17Å; K732-E735 IonicContact NZ-OE2 2.89Å; K732-E735 PolarHBondContact NZ-OE2 3.46Å; K732-E735 PolarHBondContact O-N 3.29Å; E735-K737 VanDerWaalsContact C-N 3.35Å; E735-K737 PolarHBondContact O-N 3.43Å; E735-K738 PolarHBondContact O-N 2.82Å; E735-K738 VanDerWaalsContact O-N 3.13Å; E735-L739 HydrophobicContact CG-CD1 4.39Å; E735-L739 WeakPolarHBondContact O-CG 3.33Å; E735-L739 PolarHBondContact O-N 2.88Å |
| 736 | V | 69.4 | Low | 74.5 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | K732 K738 L739 Q740 | K732-V736 WeakPolarHBondContact O-CG2 3.45Å; K732-V736 PolarHBondContact O-N 2.74Å; V736-K738 VanDerWaalsContact C-N 3.29Å; V736-K738 PolarHBondContact O-N 3.45Å; V736-L739 PolarHBondContact O-N 3.43Å; V736-Q740 HydrophobicContact CG1-CG 4.36Å; V736-Q740 WeakPolarHBondContact O-CG 3.46Å; V736-Q740 PolarHBondContact O-N 2.91Å |
| 737 | K | 75.8 | Confident | 73.7 | Confident | 114 Ų | 114 | 107.7 Ų | 107.7 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -35.2 | 177.5 | -71.6 | 172.6 | -171.4 | 171.8 | 0 | 112.8 | E733 E735 E741 | E733-K737 WeakPolarHBondContact O-CG 3.33Å; E733-K737 PolarHBondContact O-N 3.21Å; E733-K737 IonicContact OE1-NZ 3.73Å; E733-K737 PolarHBondContact OE1-NZ 2.88Å; E735-K737 VanDerWaalsContact C-N 3.35Å; E735-K737 PolarHBondContact O-N 3.43Å; K737-E741 PolarHBondContact O-N 2.98Å |
| 738 | K | 80.8 | Confident | 73 | Confident | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.2 | -40.6 | 175.4 | -72.9 | 175.1 | 179.3 | -178.9 | 0 | 112.4 | T734 E735 V736 E741 H742 | T734-K738 WeakPolarHBondContact O-CG 3.31Å; T734-K738 PolarHBondContact O-N 3.49Å; E735-K738 PolarHBondContact O-N 2.82Å; E735-K738 VanDerWaalsContact O-N 3.13Å; V736-K738 VanDerWaalsContact C-N 3.29Å; V736-K738 PolarHBondContact O-N 3.45Å; K738-E741 PolarHBondContact O-N 3.46Å; K738-H742 PolarHBondContact O-N 3.42Å |
| 739 | L | 68.8 | Low | 71.9 | Confident | 106 Ų | 106 | 108.9 Ų | 108.9 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.2 | -42.6 | 177.8 | -70.1 | 171.2 | 0 | 0 | 0 | 111.5 | E735 V736 E741 H742 D743 | E735-L739 HydrophobicContact CG-CD1 4.39Å; E735-L739 WeakPolarHBondContact O-CG 3.33Å; E735-L739 PolarHBondContact O-N 2.88Å; V736-L739 PolarHBondContact O-N 3.43Å; L739-E741 VanDerWaalsContact C-N 3.35Å; L739-E741 PolarHBondContact O-N 3.25Å; L739-H742 PolarHBondContact O-N 2.69Å; L739-D743 WeakPolarHBondContact O-CB 3.16Å; L739-D743 PolarHBondContact O-N 3.03Å |
| 740 | Q | 68.9 | Low | 70.6 | Confident | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 174.7 | -73.3 | 173.4 | -30.8 | 0 | 0 | 112.4 | V736 R744 | V736-Q740 HydrophobicContact CG1-CG 4.36Å; V736-Q740 WeakPolarHBondContact O-CG 3.46Å; V736-Q740 PolarHBondContact O-N 2.91Å; Q740-R744 WeakPolarHBondContact O-CB 3.36Å; Q740-R744 PolarHBondContact O-N 3.18Å; Q740-R744 VanDerWaalsContact O-N 3.1Å |
| 741 | E | 68.6 | Low | 69.9 | Low | 62 Ų | 62 | 104 Ų | 104 | 29% | 0.29 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 176.1 | 173.1 | 55.8 | -165 | 0 | 0 | 112.9 | K737 K738 L739 R744 R745 | K737-E741 PolarHBondContact O-N 2.98Å; K738-E741 PolarHBondContact O-N 3.46Å; L739-E741 VanDerWaalsContact C-N 3.35Å; L739-E741 PolarHBondContact O-N 3.25Å; E741-R744 VanDerWaalsContact CD-NH2 3.29Å; E741-R744 IonicContact OE1-CZ 3.3Å; E741-R744 IonicContact OE1-NH2 3.26Å; E741-R744 PolarHBondContact OE1-NH2 2.85Å; E741-R744 IonicContact OE2-CZ 2.63Å; E741-R744 VanDerWaalsContact OE2-CZ 3.25Å; E741-R744 IonicContact OE2-NE 3.69Å; E741-R744 PolarHBondContact OE2-NE 3.12Å; E741-R744 IonicContact OE2-NH2 2.69Å; E741-R744 PolarHBondContact OE2-NH2 3.14Å; E741-R745 WeakPolarHBondContact O-CG 3.31Å; E741-R745 PolarHBondContact O-N 3.4Å; E741-R745 IonicContact OE1-CZ 2.97Å; E741-R745 VanDerWaalsContact OE1-CZ 3.24Å; E741-R745 IonicContact OE1-NE 2.66Å; E741-R745 PolarHBondContact OE1-NE 3.27Å; E741-R745 IonicContact OE1-NH2 3.87Å; E741-R745 PolarHBondContact OE1-NH2 3.33Å |
| 742 | H | 71 | Confident | 69.5 | Low | 114 Ų | 114 | 108.1 Ų | 108.1 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -45.4 | 175.6 | -175.7 | -87.1 | 0 | 0 | 0 | 112.3 | K738 L739 R744 R745 L746 | K738-H742 PolarHBondContact O-N 3.42Å; L739-H742 PolarHBondContact O-N 2.69Å; H742-R744 VanDerWaalsContact C-N 3.34Å; H742-R744 PolarHBondContact O-N 3.47Å; H742-R745 WeakPolarHBondContact O-CB 3.38Å; H742-R745 PolarHBondContact O-N 2.69Å; H742-R745 VanDerWaalsContact O-N 3.15Å; H742-L746 PolarHBondContact O-N 3.26Å; H742-L746 VanDerWaalsContact O-N 3.13Å |
| 743 | D | 69.8 | Low | 68 | Low | 100 Ų | 100 | 110.3 Ų | 110.3 | 54% | 0.535 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.2 | -170 | 57.2 | 0 | 0 | 0 | 111.2 | L739 R745 L746 Q747 | L739-D743 WeakPolarHBondContact O-CB 3.16Å; L739-D743 PolarHBondContact O-N 3.03Å; D743-R745 VanDerWaalsContact C-N 3.27Å; D743-R745 PolarHBondContact O-N 2.82Å; D743-L746 PolarHBondContact O-N 3.48Å; D743-Q747 WeakPolarHBondContact O-CB 3.18Å; D743-Q747 PolarHBondContact O-N 2.99Å |
| 744 | R | 70.4 | Confident | 67.3 | Low | 131 Ų | 131 | 109 Ų | 109 | 49% | 0.494 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -54.7 | -39.1 | 174 | -167.6 | -176.5 | 71.2 | 80.6 | 1.7 | 113 | Q740 E741 H742 C748 | Q740-R744 WeakPolarHBondContact O-CB 3.36Å; Q740-R744 PolarHBondContact O-N 3.18Å; Q740-R744 VanDerWaalsContact O-N 3.1Å; E741-R744 VanDerWaalsContact CD-NH2 3.29Å; E741-R744 IonicContact OE1-CZ 3.3Å; E741-R744 IonicContact OE1-NH2 3.26Å; E741-R744 PolarHBondContact OE1-NH2 2.85Å; E741-R744 IonicContact OE2-CZ 2.63Å; E741-R744 VanDerWaalsContact OE2-CZ 3.25Å; E741-R744 IonicContact OE2-NE 3.69Å; E741-R744 PolarHBondContact OE2-NE 3.12Å; E741-R744 IonicContact OE2-NH2 2.69Å; E741-R744 PolarHBondContact OE2-NH2 3.14Å; H742-R744 VanDerWaalsContact C-N 3.34Å; H742-R744 PolarHBondContact O-N 3.47Å; R744-C748 PolarHBondContact O-N 3.28Å; R744-C748 PolarHBondContact O-SG 2.79Å |
| 745 | R | 65.6 | Low | 67 | Low | 152 Ų | 152 | 107.3 Ų | 107.3 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.7 | -47.6 | 177.1 | -69.9 | 170.3 | -170.1 | -155.9 | -1.4 | 112 | E741 H742 D743 Q747 C748 E749 | E741-R745 WeakPolarHBondContact O-CG 3.31Å; E741-R745 PolarHBondContact O-N 3.4Å; E741-R745 IonicContact OE1-CZ 2.97Å; E741-R745 VanDerWaalsContact OE1-CZ 3.24Å; E741-R745 IonicContact OE1-NE 2.66Å; E741-R745 PolarHBondContact OE1-NE 3.27Å; E741-R745 IonicContact OE1-NH2 3.87Å; E741-R745 PolarHBondContact OE1-NH2 3.33Å; H742-R745 WeakPolarHBondContact O-CB 3.38Å; H742-R745 PolarHBondContact O-N 2.69Å; H742-R745 VanDerWaalsContact O-N 3.15Å; D743-R745 VanDerWaalsContact C-N 3.27Å; D743-R745 PolarHBondContact O-N 2.82Å; R745-Q747 VanDerWaalsContact C-N 3.27Å; R745-Q747 PolarHBondContact O-N 3.35Å; R745-C748 PolarHBondContact O-N 3.27Å; R745-E749 PolarHBondContact O-N 3.04Å |
| 746 | L | 64.6 | Low | 66.5 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 176.9 | -69.9 | -179 | 0 | 0 | 0 | 111.6 | H742 D743 E749 M750 | H742-L746 PolarHBondContact O-N 3.26Å; H742-L746 VanDerWaalsContact O-N 3.13Å; D743-L746 PolarHBondContact O-N 3.48Å; L746-E749 PolarHBondContact O-N 3.43Å; L746-M750 VanDerWaalsContact O-CB 3.27Å; L746-M750 WeakPolarHBondContact O-CB 3.4Å; L746-M750 PolarHBondContact O-N 2.91Å |
| 747 | Q | 64.6 | Low | 66.3 | Low | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 179 | -159 | 175.3 | 26.6 | 0 | 0 | 112 | D743 R745 S751 | D743-Q747 WeakPolarHBondContact O-CB 3.18Å; D743-Q747 PolarHBondContact O-N 2.99Å; R745-Q747 VanDerWaalsContact C-N 3.27Å; R745-Q747 PolarHBondContact O-N 3.35Å; Q747-S751 WeakPolarHBondContact O-CB 3.29Å; Q747-S751 PolarHBondContact O-N 2.98Å |
| 748 | C | 66.3 | Low | 65.8 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 173.3 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | R744 R745 S751 R752 | R744-C748 PolarHBondContact O-N 3.28Å; R744-C748 PolarHBondContact O-SG 2.79Å; R745-C748 PolarHBondContact O-N 3.27Å; C748-S751 PolarHBondContact O-N 2.73Å; C748-R752 PolarHBondContact O-N 3.24Å; C748-R752 VanDerWaalsContact O-N 3.08Å |
| 749 | E | 62.3 | Low | 65.3 | Low | 127 Ų | 127 | 108.2 Ų | 108.2 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.5 | -40.1 | -178.7 | -172.2 | 161.4 | -155.5 | 0 | 0 | 112.2 | R745 L746 R752 M753 | R745-E749 PolarHBondContact O-N 3.04Å; L746-E749 PolarHBondContact O-N 3.43Å; E749-R752 WeakPolarHBondContact O-CB 3.29Å; E749-R752 PolarHBondContact O-N 3Å; E749-M753 WeakPolarHBondContact O-CG 3.26Å; E749-M753 PolarHBondContact O-N 3.46Å |
| 750 | M | 52.8 | Low | 64.9 | Low | 126 Ų | 126 | 108.7 Ų | 108.7 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 174.6 | -174.5 | 155.7 | 55.9 | 0 | 0 | 111.9 | L746 R752 M753 V754 | L746-M750 VanDerWaalsContact O-CB 3.27Å; L746-M750 WeakPolarHBondContact O-CB 3.4Å; L746-M750 PolarHBondContact O-N 2.91Å; M750-R752 VanDerWaalsContact C-N 3.34Å; M750-R752 PolarHBondContact O-N 3.49Å; M750-M753 PolarHBondContact O-N 3.39Å; M750-V754 WeakPolarHBondContact O-CG2 3.48Å; M750-V754 PolarHBondContact O-N 3.13Å |
| 751 | S | 66.4 | Low | 64.7 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.1 | -43 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | Q747 C748 S755 | Q747-S751 WeakPolarHBondContact O-CB 3.29Å; Q747-S751 PolarHBondContact O-N 2.98Å; C748-S751 PolarHBondContact O-N 2.73Å; S751-S755 PolarHBondContact O-N 3.02Å; S751-S755 VanDerWaalsContact O-N 3.08Å |
| 752 | R | 69.6 | Low | 64.7 | Low | 178 Ų | 178 | 106.9 Ų | 106.9 | 67% | 0.672 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 174.2 | 172.3 | -176.9 | 157.6 | 92.1 | 1.1 | 112 | C748 E749 M750 S755 V756 | C748-R752 PolarHBondContact O-N 3.24Å; C748-R752 VanDerWaalsContact O-N 3.08Å; E749-R752 WeakPolarHBondContact O-CB 3.29Å; E749-R752 PolarHBondContact O-N 3Å; M750-R752 VanDerWaalsContact C-N 3.34Å; M750-R752 PolarHBondContact O-N 3.49Å; R752-S755 PolarHBondContact O-N 3.02Å; R752-V756 WeakPolarHBondContact O-CG2 3.18Å; R752-V756 PolarHBondContact O-N 3.01Å; R752-V756 VanDerWaalsContact O-N 3.13Å |
| 753 | M | 47.4 | Very low | 64.8 | Low | 126 Ų | 126 | 104.5 Ų | 104.5 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | -179.3 | -72.7 | -66.4 | -75.4 | 0 | 0 | 112.3 | E749 M750 V756 H757 | E749-M753 WeakPolarHBondContact O-CG 3.26Å; E749-M753 PolarHBondContact O-N 3.46Å; M750-M753 PolarHBondContact O-N 3.39Å; M753-V756 PolarHBondContact O-N 3.5Å; M753-H757 PolarHBondContact O-N 3.35Å |
| 754 | V | 58.3 | Low | 64.9 | Low | 72 Ų | 72 | 104.9 Ų | 104.9 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | M750 V756 H757 E758 | M750-V754 WeakPolarHBondContact O-CG2 3.48Å; M750-V754 PolarHBondContact O-N 3.13Å; V754-V756 VanDerWaalsContact C-N 3.28Å; V754-V756 PolarHBondContact O-N 2.83Å; V754-H757 PolarHBondContact O-N 3.18Å; V754-H757 VanDerWaalsContact O-N 3.09Å; V754-E758 HydrophobicContact CG1-CG 4.28Å; V754-E758 WeakPolarHBondContact O-CG 3.35Å; V754-E758 PolarHBondContact O-N 2.86Å |
| 755 | S | 70.6 | Confident | 65.1 | Low | 36 Ų | 36 | 105 Ų | 105 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -32.1 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 113.4 | S751 R752 R759 | S751-S755 PolarHBondContact O-N 3.02Å; S751-S755 VanDerWaalsContact O-N 3.08Å; R752-S755 PolarHBondContact O-N 3.02Å; S755-R759 WeakPolarHBondContact O-CD 3.26Å; S755-R759 WeakPolarHBondContact O-CG 3.43Å; S755-R759 PolarHBondContact O-N 2.83Å; S755-R759 PolarHBondContact O-NE 2.78Å; S755-R759 PolarHBondContact OG-NE 2.77Å; S755-R759 PolarHBondContact OG-NH2 3.39Å |
| 756 | V | 64.6 | Low | 65.5 | Low | 59 Ų | 59 | 105.6 Ų | 105.6 | 36% | 0.358 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | R752 M753 V754 R759 Q760 | R752-V756 WeakPolarHBondContact O-CG2 3.18Å; R752-V756 PolarHBondContact O-N 3.01Å; R752-V756 VanDerWaalsContact O-N 3.13Å; M753-V756 PolarHBondContact O-N 3.5Å; V754-V756 VanDerWaalsContact C-N 3.28Å; V754-V756 PolarHBondContact O-N 2.83Å; V756-R759 PolarHBondContact O-N 2.67Å; V756-Q760 WeakPolarHBondContact O-CG 3.19Å; V756-Q760 PolarHBondContact O-N 3.21Å; V756-Q760 VanDerWaalsContact O-N 3.16Å |
| 757 | H | 64.7 | Low | 66.1 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 179.7 | -170.2 | 69.3 | 0 | 0 | 0 | 112.1 | M753 V754 R759 Q760 Q761 | M753-H757 PolarHBondContact O-N 3.35Å; V754-H757 PolarHBondContact O-N 3.18Å; V754-H757 VanDerWaalsContact O-N 3.09Å; H757-R759 VanDerWaalsContact C-N 3.33Å; H757-R759 PolarHBondContact O-N 2.86Å; H757-Q760 PolarHBondContact O-N 3.26Å; H757-Q760 VanDerWaalsContact O-N 3.15Å; H757-Q761 PolarHBondContact CD2-NE2 3.49Å; H757-Q761 PolarHBondContact NE2-NE2 3.21Å; H757-Q761 PolarHBondContact O-N 2.65Å |
| 758 | E | 66.2 | Low | 66.7 | Low | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 175.4 | -71.6 | 175.1 | 158.4 | 0 | 0 | 112.2 | V754 Q760 Q761 A762 | V754-E758 HydrophobicContact CG1-CG 4.28Å; V754-E758 WeakPolarHBondContact O-CG 3.35Å; V754-E758 PolarHBondContact O-N 2.86Å; E758-Q760 VanDerWaalsContact C-N 3.35Å; E758-Q760 PolarHBondContact O-N 3.4Å; E758-Q761 PolarHBondContact O-N 2.99Å; E758-A762 VanDerWaalsContact O-CB 3.28Å; E758-A762 WeakPolarHBondContact O-CB 3.32Å; E758-A762 PolarHBondContact O-N 3.15Å |
| 759 | R | 69.9 | Low | 67.3 | Low | 168 Ų | 168 | 107.4 Ų | 107.4 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 176.2 | -70.6 | 168.9 | -154.2 | -160.2 | 3.6 | 111.8 | S755 V756 H757 A762 V763 | S755-R759 WeakPolarHBondContact O-CD 3.26Å; S755-R759 WeakPolarHBondContact O-CG 3.43Å; S755-R759 PolarHBondContact O-N 2.83Å; S755-R759 PolarHBondContact O-NE 2.78Å; S755-R759 PolarHBondContact OG-NE 2.77Å; S755-R759 PolarHBondContact OG-NH2 3.39Å; V756-R759 PolarHBondContact O-N 2.67Å; H757-R759 VanDerWaalsContact C-N 3.33Å; H757-R759 PolarHBondContact O-N 2.86Å; R759-A762 PolarHBondContact O-N 3.49Å; R759-V763 WeakPolarHBondContact O-CG2 3.01Å; R759-V763 PolarHBondContact O-N 3Å; R759-V763 VanDerWaalsContact O-N 3.14Å |
| 760 | Q | 60.6 | Low | 68.1 | Low | 116 Ų | 116 | 103.7 Ų | 103.7 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 177.5 | -70.3 | 176.4 | -4.5 | 0 | 0 | 111.3 | V756 H757 E758 A762 V763 L764 | V756-Q760 WeakPolarHBondContact O-CG 3.19Å; V756-Q760 PolarHBondContact O-N 3.21Å; V756-Q760 VanDerWaalsContact O-N 3.16Å; H757-Q760 PolarHBondContact O-N 3.26Å; H757-Q760 VanDerWaalsContact O-N 3.15Å; E758-Q760 VanDerWaalsContact C-N 3.35Å; E758-Q760 PolarHBondContact O-N 3.4Å; Q760-A762 VanDerWaalsContact C-N 3.34Å; Q760-A762 PolarHBondContact O-N 3.12Å; Q760-V763 PolarHBondContact O-N 3.05Å; Q760-L764 WeakPolarHBondContact O-CG 3.48Å; Q760-L764 PolarHBondContact O-N 3Å; Q760-L764 VanDerWaalsContact O-N 3.09Å |
| 761 | Q | 64.6 | Low | 69.2 | Low | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 175.6 | -69.1 | -169.1 | -4.3 | 0 | 0 | 112.1 | H757 E758 V763 L764 K765 | H757-Q761 PolarHBondContact CD2-NE2 3.49Å; H757-Q761 PolarHBondContact NE2-NE2 3.21Å; H757-Q761 PolarHBondContact O-N 2.65Å; E758-Q761 PolarHBondContact O-N 2.99Å; Q761-V763 VanDerWaalsContact C-N 3.28Å; Q761-V763 PolarHBondContact O-N 3.12Å; Q761-L764 PolarHBondContact O-N 3.32Å; Q761-K765 WeakPolarHBondContact O-CB 3.47Å; Q761-K765 PolarHBondContact O-N 2.77Å |
| 762 | A | 68.9 | Low | 69.9 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.2 | -25.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E758 R759 Q760 R766 | E758-A762 VanDerWaalsContact O-CB 3.28Å; E758-A762 WeakPolarHBondContact O-CB 3.32Å; E758-A762 PolarHBondContact O-N 3.15Å; R759-A762 PolarHBondContact O-N 3.49Å; Q760-A762 VanDerWaalsContact C-N 3.34Å; Q760-A762 PolarHBondContact O-N 3.12Å; A762-R766 WeakPolarHBondContact O-CG 3.41Å; A762-R766 PolarHBondContact O-NE 3.32Å |
| 763 | V | 73.8 | Confident | 70.4 | Confident | 65 Ų | 65 | 88.1 Ų | 88.1 | 39% | 0.394 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.4 | -44.1 | 172.1 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | R759 Q760 Q761 R766 R767 | R759-V763 WeakPolarHBondContact O-CG2 3.01Å; R759-V763 PolarHBondContact O-N 3Å; R759-V763 VanDerWaalsContact O-N 3.14Å; Q760-V763 PolarHBondContact O-N 3.05Å; Q761-V763 VanDerWaalsContact C-N 3.28Å; Q761-V763 PolarHBondContact O-N 3.12Å; V763-R766 PolarHBondContact O-N 3.49Å; V763-R767 WeakPolarHBondContact O-CG 3.34Å; V763-R767 PolarHBondContact O-N 3.15Å; V763-R767 VanDerWaalsContact O-N 3.16Å |
| 764 | L | 70.1 | Confident | 71.9 | Confident | 107 Ų | 107 | 82.3 Ų | 82.3 | 56% | 0.56 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 178.5 | -69.2 | 172.4 | 0 | 0 | 0 | 111.7 | Q760 Q761 R766 R767 I768 | Q760-L764 WeakPolarHBondContact O-CG 3.48Å; Q760-L764 PolarHBondContact O-N 3Å; Q760-L764 VanDerWaalsContact O-N 3.09Å; Q761-L764 PolarHBondContact O-N 3.32Å; L764-R766 PolarHBondContact O-N 3.44Å; L764-R767 PolarHBondContact O-N 2.72Å; L764-I768 WeakPolarHBondContact O-CG1 3.18Å; L764-I768 PolarHBondContact O-N 3.01Å; L764-I768 VanDerWaalsContact O-N 3.08Å |
| 765 | K | 75 | Confident | 72.9 | Confident | 133 Ų | 133 | 81.3 Ų | 81.3 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -55.8 | -51 | 177 | 178.7 | 171.4 | 175.6 | 178.9 | 0 | 112 | Q761 R767 I768 E769 | Q761-K765 WeakPolarHBondContact O-CB 3.47Å; Q761-K765 PolarHBondContact O-N 2.77Å; K765-R767 VanDerWaalsContact C-N 3.29Å; K765-R767 PolarHBondContact O-N 2.96Å; K765-I768 PolarHBondContact O-N 3.19Å; K765-E769 WeakPolarHBondContact CE-OE1 3.27Å; K765-E769 HydrophobicContact CG-CG 4.44Å; K765-E769 WeakPolarHBondContact CG-OE1 3.29Å; K765-E769 IonicContact NZ-OE1 3.7Å; K765-E769 WeakPolarHBondContact O-CG 3.5Å; K765-E769 PolarHBondContact O-N 3.25Å |
| 766 | R | 75.1 | Confident | 73.6 | Confident | 165 Ų | 165 | 86.8 Ų | 86.8 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.1 | -36.2 | 177.8 | -81.5 | -177.5 | -86 | -178.4 | -12.5 | 113.3 | A762 V763 L764 A770 | A762-R766 WeakPolarHBondContact O-CG 3.41Å; A762-R766 PolarHBondContact O-NE 3.32Å; V763-R766 PolarHBondContact O-N 3.49Å; L764-R766 PolarHBondContact O-N 3.44Å; R766-A770 WeakPolarHBondContact O-CB 3.49Å; R766-A770 PolarHBondContact O-N 3.31Å |
| 767 | R | 76.3 | Confident | 74.4 | Confident | 145 Ų | 145 | 91.6 Ų | 91.6 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 177.2 | -73.3 | 175.6 | 176.6 | -149.8 | -2.9 | 112.2 | V763 L764 K765 A770 A771 | V763-R767 WeakPolarHBondContact O-CG 3.34Å; V763-R767 PolarHBondContact O-N 3.15Å; V763-R767 VanDerWaalsContact O-N 3.16Å; L764-R767 PolarHBondContact O-N 2.72Å; K765-R767 VanDerWaalsContact C-N 3.29Å; K765-R767 PolarHBondContact O-N 2.96Å; R767-A770 PolarHBondContact O-N 3.25Å; R767-A771 PolarHBondContact O-N 2.72Å |
| 768 | I | 76.3 | Confident | 75.3 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.8 | -65.1 | 166.9 | 0 | 0 | 0 | 110.3 | L764 K765 A770 A771 A772 | L764-I768 WeakPolarHBondContact O-CG1 3.18Å; L764-I768 PolarHBondContact O-N 3.01Å; L764-I768 VanDerWaalsContact O-N 3.08Å; K765-I768 PolarHBondContact O-N 3.19Å; I768-A770 VanDerWaalsContact C-N 3.33Å; I768-A770 PolarHBondContact O-N 2.93Å; I768-A771 PolarHBondContact O-N 2.79Å; I768-A772 WeakPolarHBondContact O-CB 3.13Å; I768-A772 PolarHBondContact O-N 3.25Å |
| 769 | E | 80.1 | Confident | 76.1 | Confident | 95 Ų | 95 | 87 Ų | 87 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 177.9 | -73 | 169.6 | 168.7 | 0 | 0 | 112.8 | K765 A773 | K765-E769 WeakPolarHBondContact CE-OE1 3.27Å; K765-E769 HydrophobicContact CG-CG 4.44Å; K765-E769 WeakPolarHBondContact CG-OE1 3.29Å; K765-E769 IonicContact NZ-OE1 3.7Å; K765-E769 WeakPolarHBondContact O-CG 3.5Å; K765-E769 PolarHBondContact O-N 3.25Å; E769-A773 VanDerWaalsContact O-CB 3.24Å; E769-A773 WeakPolarHBondContact O-CB 3.29Å; E769-A773 PolarHBondContact O-N 2.91Å |
| 770 | A | 78.5 | Confident | 76.8 | Confident | 49 Ų | 49 | 83.2 Ų | 83.2 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R766 R767 I768 A773 A774 | R766-A770 WeakPolarHBondContact O-CB 3.49Å; R766-A770 PolarHBondContact O-N 3.31Å; R767-A770 PolarHBondContact O-N 3.25Å; I768-A770 VanDerWaalsContact C-N 3.33Å; I768-A770 PolarHBondContact O-N 2.93Å; A770-A773 WeakPolarHBondContact O-CB 3.47Å; A770-A773 PolarHBondContact O-N 3.3Å; A770-A774 PolarHBondContact O-N 2.71Å |
| 771 | A | 77.1 | Confident | 77.8 | Confident | 7 Ų | 7 | 79 Ų | 79 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R767 I768 A773 A774 E775 F835 | R767-A771 PolarHBondContact O-N 2.72Å; I768-A771 PolarHBondContact O-N 2.79Å; A771-A773 PolarHBondContact O-N 2.83Å; A771-A774 PolarHBondContact O-N 3.44Å; A771-A774 VanDerWaalsContact O-N 3.14Å; A771-E775 VanDerWaalsContact O-CB 3.3Å; A771-E775 WeakPolarHBondContact O-CB 3.13Å; A771-E775 PolarHBondContact O-N 3.31Å; A771-F835 HydrophobicContact CB-CE2 3.69Å; A771-F835 HydrophobicContact CB-CZ 3.75Å |
| 772 | A | 80.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -23.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I768 R776 | I768-A772 WeakPolarHBondContact O-CB 3.13Å; I768-A772 PolarHBondContact O-N 3.25Å; A772-R776 WeakPolarHBondContact O-CB 3.28Å; A772-R776 VanDerWaalsContact O-CG 3.27Å; A772-R776 WeakPolarHBondContact O-CG 3.45Å; A772-R776 PolarHBondContact O-N 3.41Å; A772-R776 VanDerWaalsContact O-N 3.15Å; A772-R776 PolarHBondContact O-NE 2.91Å |
| 773 | A | 81.1 | Confident | 79.3 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -75.2 | -43.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E769 A770 A771 E775 R776 R777 | E769-A773 VanDerWaalsContact O-CB 3.24Å; E769-A773 WeakPolarHBondContact O-CB 3.29Å; E769-A773 PolarHBondContact O-N 2.91Å; A770-A773 WeakPolarHBondContact O-CB 3.47Å; A770-A773 PolarHBondContact O-N 3.3Å; A771-A773 PolarHBondContact O-N 2.83Å; A773-E775 VanDerWaalsContact C-N 3.33Å; A773-R776 PolarHBondContact O-N 3Å; A773-R777 VanDerWaalsContact O-CG 3.26Å; A773-R777 WeakPolarHBondContact O-CG 3.37Å; A773-R777 PolarHBondContact O-N 3.46Å |
| 774 | A | 79 | Confident | 79.6 | Confident | 5 Ų | 5 | 80.5 Ų | 80.5 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A770 A771 R776 R777 L778 A827 V828 | A770-A774 PolarHBondContact O-N 2.71Å; A771-A774 PolarHBondContact O-N 3.44Å; A771-A774 VanDerWaalsContact O-N 3.14Å; A774-R776 VanDerWaalsContact C-N 3.35Å; A774-R776 PolarHBondContact O-N 3.31Å; A774-R777 PolarHBondContact O-N 3.49Å; A774-L778 PolarHBondContact O-N 2.97Å; A774-A827 HydrophobicContact CB-CB 4.42Å; A774-V828 HydrophobicContact CB-CG2 4.34Å |
| 775 | E | 78.1 | Confident | 79.9 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 23% | 0.234 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.3 | -166.4 | -146.4 | 142.2 | 0 | 0 | 113.3 | A771 A773 K779 L887 K890 | A771-E775 VanDerWaalsContact O-CB 3.3Å; A771-E775 WeakPolarHBondContact O-CB 3.13Å; A771-E775 PolarHBondContact O-N 3.31Å; A773-E775 VanDerWaalsContact C-N 3.33Å; E775-K779 PolarHBondContact O-N 3.23Å; E775-L887 HydrophobicContact CB-CD2 4.19Å; E775-L887 HydrophobicContact CG-CD2 3.99Å; E775-K890 HydrophobicContact CG-CD 3.58Å; E775-K890 WeakPolarHBondContact OE1-CE 3.22Å; E775-K890 IonicContact OE1-NZ 2.66Å; E775-K890 PolarHBondContact OE1-NZ 3.39Å |
| 776 | R | 84.9 | Confident | 80 | Confident | 152 Ų | 152 | 79.2 Ų | 79.2 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.8 | -43.5 | 172.5 | -79.6 | 177.9 | -67.8 | 143.5 | -6.5 | 112.4 | A772 A773 A774 L778 K779 E780 | A772-R776 WeakPolarHBondContact O-CB 3.28Å; A772-R776 VanDerWaalsContact O-CG 3.27Å; A772-R776 WeakPolarHBondContact O-CG 3.45Å; A772-R776 PolarHBondContact O-N 3.41Å; A772-R776 VanDerWaalsContact O-N 3.15Å; A772-R776 PolarHBondContact O-NE 2.91Å; A773-R776 PolarHBondContact O-N 3Å; A774-R776 VanDerWaalsContact C-N 3.35Å; A774-R776 PolarHBondContact O-N 3.31Å; R776-L778 VanDerWaalsContact C-N 3.34Å; R776-L778 PolarHBondContact O-N 2.92Å; R776-K779 PolarHBondContact O-N 2.94Å; R776-E780 WeakPolarHBondContact O-CB 3.34Å; R776-E780 PolarHBondContact O-N 2.78Å |
| 777 | R | 82 | Confident | 80.1 | Confident | 160 Ų | 160 | 75.8 Ų | 75.8 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.7 | -46 | 176.9 | -74 | 168.5 | -175.5 | 174.4 | 2.5 | 111.2 | A773 A774 K779 E780 L781 | A773-R777 VanDerWaalsContact O-CG 3.26Å; A773-R777 WeakPolarHBondContact O-CG 3.37Å; A773-R777 PolarHBondContact O-N 3.46Å; A774-R777 PolarHBondContact O-N 3.49Å; R777-K779 PolarHBondContact O-N 3.08Å; R777-E780 PolarHBondContact O-N 3.48Å; R777-L781 WeakPolarHBondContact O-CB 3.47Å; R777-L781 VanDerWaalsContact O-CG 3.26Å; R777-L781 WeakPolarHBondContact O-CG 3.39Å; R777-L781 PolarHBondContact O-N 3.04Å |
| 778 | L | 83.3 | Confident | 80 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 176.9 | -176.1 | 57.4 | 0 | 0 | 0 | 110.9 | A774 R776 E780 L781 L782 S824 M825 V828 K890 A894 | A774-L778 PolarHBondContact O-N 2.97Å; R776-L778 VanDerWaalsContact C-N 3.34Å; R776-L778 PolarHBondContact O-N 2.92Å; L778-E780 PolarHBondContact O-N 2.98Å; L778-L781 PolarHBondContact O-N 3.3Å; L778-L782 HydrophobicContact CD1-CD1 4.27Å; L778-L782 HydrophobicContact CD1-CG 4.22Å; L778-L782 HydrophobicContact CG-CD1 4.1Å; L778-L782 HydrophobicContact CG-CG 4.46Å; L778-L782 VanDerWaalsContact O-CG 3.29Å; L778-L782 WeakPolarHBondContact O-CG 3.4Å; L778-L782 PolarHBondContact O-N 3.24Å; L778-S824 WeakPolarHBondContact CA-OG 3.32Å; L778-S824 WeakPolarHBondContact CB-OG 3.39Å; L778-S824 PolarHBondContact N-OG 2.81Å; L778-M825 HydrophobicContact CD1-CG 3.82Å; L778-V828 HydrophobicContact CB-CG2 4.39Å; L778-V828 HydrophobicContact CD2-CB 4.33Å; L778-V828 HydrophobicContact CD2-CG1 4.47Å; L778-V828 HydrophobicContact CD2-CG2 3.92Å; L778-K890 HydrophobicContact CD2-CB 4.38Å; L778-A894 HydrophobicContact CD1-CB 4.31Å |
| 779 | K | 83 | Confident | 79.7 | Confident | 119 Ų | 119 | 77 Ų | 77 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 178 | -173.7 | 175.9 | -179.9 | 177.4 | 0 | 112.8 | E775 R776 R777 L783 | E775-K779 PolarHBondContact O-N 3.23Å; R776-K779 PolarHBondContact O-N 2.94Å; R777-K779 PolarHBondContact O-N 3.08Å; K779-L783 HydrophobicContact CG-CD1 4.23Å; K779-L783 WeakPolarHBondContact O-CB 3.36Å; K779-L783 VanDerWaalsContact O-CG 3.3Å; K779-L783 WeakPolarHBondContact O-CG 3.45Å; K779-L783 PolarHBondContact O-N 2.58Å |
| 780 | E | 85.3 | Confident | 79.4 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 42% | 0.416 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.6 | -171.4 | -174.9 | 161.8 | 0 | 0 | 112 | R776 R777 L778 L783 R784 | R776-E780 WeakPolarHBondContact O-CB 3.34Å; R776-E780 PolarHBondContact O-N 2.78Å; R777-E780 PolarHBondContact O-N 3.48Å; L778-E780 PolarHBondContact O-N 2.98Å; E780-L783 PolarHBondContact O-N 3.19Å; E780-R784 WeakPolarHBondContact O-CB 3.34Å; E780-R784 WeakPolarHBondContact O-CG 3.47Å; E780-R784 PolarHBondContact O-N 3.44Å; E780-R784 IonicContact OE1-CZ 2.66Å; E780-R784 IonicContact OE1-NH1 3.67Å; E780-R784 PolarHBondContact OE1-NH1 3.01Å; E780-R784 IonicContact OE1-NH2 2.77Å; E780-R784 PolarHBondContact OE1-NH2 2.89Å |
| 781 | L | 82.1 | Confident | 78.9 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 177.2 | -70.4 | 168.2 | 0 | 0 | 0 | 112.4 | R777 L778 R784 Q785 D820 I821 | R777-L781 WeakPolarHBondContact O-CB 3.47Å; R777-L781 VanDerWaalsContact O-CG 3.26Å; R777-L781 WeakPolarHBondContact O-CG 3.39Å; R777-L781 PolarHBondContact O-N 3.04Å; L778-L781 PolarHBondContact O-N 3.3Å; L781-R784 PolarHBondContact O-N 2.99Å; L781-Q785 WeakPolarHBondContact O-CB 3.45Å; L781-Q785 PolarHBondContact O-N 2.92Å; L781-D820 HydrophobicContact CD1-CB 4.17Å; L781-D820 WeakPolarHBondContact CD1-O 3.23Å; L781-D820 HydrophobicContact CD2-CB 4.03Å; L781-I821 HydrophobicContact CB-CG1 3.75Å |
| 782 | L | 81.8 | Confident | 78.4 | Confident | 31 Ų | 31 | 82 Ų | 82 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.5 | -67.4 | 174.7 | 0 | 0 | 0 | 112.3 | L778 Q785 K786 I821 D893 A894 | L778-L782 HydrophobicContact CD1-CD1 4.27Å; L778-L782 HydrophobicContact CD1-CG 4.22Å; L778-L782 HydrophobicContact CG-CD1 4.1Å; L778-L782 HydrophobicContact CG-CG 4.46Å; L778-L782 VanDerWaalsContact O-CG 3.29Å; L778-L782 WeakPolarHBondContact O-CG 3.4Å; L778-L782 PolarHBondContact O-N 3.24Å; L782-Q785 PolarHBondContact O-N 3.27Å; L782-K786 PolarHBondContact O-N 2.92Å; L782-I821 HydrophobicContact CD2-CG2 4.49Å; L782-D893 HydrophobicContact CD1-CB 4.48Å; L782-A894 HydrophobicContact CD1-CB 3.93Å; L782-A894 HydrophobicContact CD2-CB 3.92Å; L782-A894 HydrophobicContact CG-CB 4.47Å |
| 783 | L | 82.1 | Confident | 77.7 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 47% | 0.466 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 172.6 | -74.8 | 167.3 | 0 | 0 | 0 | 111 | K779 E780 Q785 K786 D787 | K779-L783 HydrophobicContact CG-CD1 4.23Å; K779-L783 WeakPolarHBondContact O-CB 3.36Å; K779-L783 VanDerWaalsContact O-CG 3.3Å; K779-L783 WeakPolarHBondContact O-CG 3.45Å; K779-L783 PolarHBondContact O-N 2.58Å; E780-L783 PolarHBondContact O-N 3.19Å; L783-Q785 VanDerWaalsContact C-N 3.29Å; L783-Q785 PolarHBondContact O-N 3.13Å; L783-K786 WeakPolarHBondContact O-CB 3.49Å; L783-K786 PolarHBondContact O-N 3.33Å; L783-K786 VanDerWaalsContact O-N 3.12Å; L783-D787 PolarHBondContact O-N 2.68Å |
| 784 | R | 80.2 | Confident | 77 | Confident | 127 Ų | 127 | 90.3 Ų | 90.3 | 48% | 0.479 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 174.4 | -77.8 | -179.9 | 171.8 | 133.4 | 10 | 112.8 | E780 L781 D787 I788 | E780-R784 WeakPolarHBondContact O-CB 3.34Å; E780-R784 WeakPolarHBondContact O-CG 3.47Å; E780-R784 PolarHBondContact O-N 3.44Å; E780-R784 IonicContact OE1-CZ 2.66Å; E780-R784 IonicContact OE1-NH1 3.67Å; E780-R784 PolarHBondContact OE1-NH1 3.01Å; E780-R784 IonicContact OE1-NH2 2.77Å; E780-R784 PolarHBondContact OE1-NH2 2.89Å; L781-R784 PolarHBondContact O-N 2.99Å; R784-D787 PolarHBondContact O-N 2.75Å; R784-I788 WeakPolarHBondContact O-CB 3.41Å; R784-I788 WeakPolarHBondContact O-CD1 3.49Å; R784-I788 VanDerWaalsContact O-CG1 3.23Å; R784-I788 WeakPolarHBondContact O-CG1 3.36Å; R784-I788 PolarHBondContact O-N 3.46Å |
| 785 | Q | 76.5 | Confident | 76.2 | Confident | 81 Ų | 81 | 98 Ų | 98 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.8 | -165.5 | -171.5 | 41.6 | 0 | 0 | 111.4 | L781 L782 L783 R789 I821 | L781-Q785 WeakPolarHBondContact O-CB 3.45Å; L781-Q785 PolarHBondContact O-N 2.92Å; L782-Q785 PolarHBondContact O-N 3.27Å; L783-Q785 VanDerWaalsContact C-N 3.29Å; L783-Q785 PolarHBondContact O-N 3.13Å; Q785-R789 WeakPolarHBondContact O-CB 3.33Å; Q785-R789 PolarHBondContact O-N 3.46Å; Q785-I821 HydrophobicContact CB-CD1 3.97Å; Q785-I821 HydrophobicContact CG-CD1 4.03Å |
| 786 | K | 77.2 | Confident | 75.3 | Confident | 131 Ų | 131 | 101.1 Ų | 101.1 | 57% | 0.57 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 174.5 | -173.5 | 179.6 | 179.8 | 179.5 | 0 | 111.7 | L782 L783 R789 N790 | L782-K786 PolarHBondContact O-N 2.92Å; L783-K786 WeakPolarHBondContact O-CB 3.49Å; L783-K786 PolarHBondContact O-N 3.33Å; L783-K786 VanDerWaalsContact O-N 3.12Å; K786-R789 WeakPolarHBondContact O-CB 3.5Å; K786-R789 PolarHBondContact O-N 2.81Å; K786-N790 PolarHBondContact O-N 3.23Å; K786-N790 PolarHBondContact O-ND2 2.95Å; K786-N790 PolarHBondContact O-OD1 3.16Å |
| 787 | D | 77.6 | Confident | 73.9 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 178.7 | -66.6 | -26.2 | 0 | 0 | 0 | 112.1 | L783 R784 R789 N790 E791 | L783-D787 PolarHBondContact O-N 2.68Å; R784-D787 PolarHBondContact O-N 2.75Å; D787-R789 VanDerWaalsContact C-N 3.26Å; D787-R789 PolarHBondContact O-N 3.4Å; D787-N790 PolarHBondContact O-N 3.34Å; D787-E791 VanDerWaalsContact O-CB 3.25Å; D787-E791 WeakPolarHBondContact O-CB 3.33Å; D787-E791 PolarHBondContact O-N 2.83Å |
| 788 | I | 73.8 | Confident | 72.2 | Confident | 88 Ų | 88 | 98 Ų | 98 | 45% | 0.451 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 174 | -69.6 | 165.2 | 0 | 0 | 0 | 111 | R784 R792 T817 | R784-I788 WeakPolarHBondContact O-CB 3.41Å; R784-I788 WeakPolarHBondContact O-CD1 3.49Å; R784-I788 VanDerWaalsContact O-CG1 3.23Å; R784-I788 WeakPolarHBondContact O-CG1 3.36Å; R784-I788 PolarHBondContact O-N 3.46Å; I788-R792 VanDerWaalsContact O-CB 3.3Å; I788-R792 WeakPolarHBondContact O-CB 3.21Å; I788-R792 PolarHBondContact O-N 2.87Å; I788-T817 HydrophobicContact CD1-CG2 4.28Å |
| 789 | R | 69.3 | Low | 70.5 | Confident | 174 Ų | 174 | 101.7 Ų | 101.7 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -51.2 | 174.8 | -178.4 | 178.1 | 177.5 | 172.9 | 0.6 | 111.6 | Q785 K786 D787 E791 R792 D793 | Q785-R789 WeakPolarHBondContact O-CB 3.33Å; Q785-R789 PolarHBondContact O-N 3.46Å; K786-R789 WeakPolarHBondContact O-CB 3.5Å; K786-R789 PolarHBondContact O-N 2.81Å; D787-R789 VanDerWaalsContact C-N 3.26Å; D787-R789 PolarHBondContact O-N 3.4Å; R789-E791 VanDerWaalsContact C-N 3.3Å; R789-E791 PolarHBondContact O-N 3.03Å; R789-R792 WeakPolarHBondContact O-CB 3.39Å; R789-R792 PolarHBondContact O-N 2.81Å; R789-R792 VanDerWaalsContact O-N 3.15Å; R789-D793 VanDerWaalsContact O-CG 3.31Å; R789-D793 PolarHBondContact O-N 3.36Å |
| 790 | N | 74.5 | Confident | 68.7 | Low | 75 Ų | 75 | 102.9 Ų | 102.9 | 40% | 0.401 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 178 | -65.3 | -25.2 | 0 | 0 | 0 | 112.1 | K786 D787 D793 K794 | K786-N790 PolarHBondContact O-N 3.23Å; K786-N790 PolarHBondContact O-ND2 2.95Å; K786-N790 PolarHBondContact O-OD1 3.16Å; D787-N790 PolarHBondContact O-N 3.34Å; N790-D793 PolarHBondContact O-N 3Å; N790-K794 WeakPolarHBondContact O-CG 3.45Å; N790-K794 PolarHBondContact O-N 2.83Å |
| 791 | E | 69 | Low | 67 | Low | 78 Ų | 78 | 106.6 Ų | 106.6 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.9 | -179.4 | 61.1 | -167 | 0 | 0 | 111.9 | D787 R789 R795 | D787-E791 VanDerWaalsContact O-CB 3.25Å; D787-E791 WeakPolarHBondContact O-CB 3.33Å; D787-E791 PolarHBondContact O-N 2.83Å; R789-E791 VanDerWaalsContact C-N 3.3Å; R789-E791 PolarHBondContact O-N 3.03Å; E791-R795 VanDerWaalsContact O-CG 3.29Å; E791-R795 WeakPolarHBondContact O-CG 3.38Å; E791-R795 PolarHBondContact O-N 3.23Å; E791-R795 IonicContact OE1-CZ 3.8Å; E791-R795 IonicContact OE1-NE 2.66Å; E791-R795 PolarHBondContact OE1-NE 3.18Å; E791-R795 IonicContact OE1-NH2 3.01Å; E791-R795 PolarHBondContact OE1-NH2 3.37Å |
| 792 | R | 66.3 | Low | 65.5 | Low | 102 Ų | 102 | 109.2 Ų | 109.2 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -45.5 | 171.6 | 179.7 | 179.4 | 177.1 | 171.9 | -0.8 | 111.4 | I788 R789 K794 R795 V796 H921 | I788-R792 VanDerWaalsContact O-CB 3.3Å; I788-R792 WeakPolarHBondContact O-CB 3.21Å; I788-R792 PolarHBondContact O-N 2.87Å; R789-R792 WeakPolarHBondContact O-CB 3.39Å; R789-R792 PolarHBondContact O-N 2.81Å; R789-R792 VanDerWaalsContact O-N 3.15Å; R792-K794 VanDerWaalsContact C-N 3.31Å; R792-K794 PolarHBondContact O-N 3.28Å; R792-R795 PolarHBondContact O-N 3.39Å; R792-R795 VanDerWaalsContact O-N 3.15Å; R792-V796 WeakPolarHBondContact O-CG2 3.44Å; R792-V796 PolarHBondContact O-N 2.94Å; R792-H921 PolarHBondContact NH2-CE1 3.02Å; R792-H921 PolarHBondContact NH2-NE2 3.26Å |
| 793 | D | 64.6 | Low | 63.8 | Low | 91 Ų | 91 | 116.5 Ų | 116.5 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -37.4 | -179.7 | -66.1 | -21.8 | 0 | 0 | 0 | 111.1 | R789 N790 V796 S797 | R789-D793 VanDerWaalsContact O-CG 3.31Å; R789-D793 PolarHBondContact O-N 3.36Å; N790-D793 PolarHBondContact O-N 3Å; D793-V796 PolarHBondContact O-N 2.9Å; D793-S797 PolarHBondContact O-N 3.14Å |
| 794 | K | 65.8 | Low | 62.3 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 59% | 0.587 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.1 | -48.3 | 168.7 | -74.6 | 180 | 180 | 179.1 | 0 | 113 | N790 R792 V796 S797 E798 | N790-K794 WeakPolarHBondContact O-CG 3.45Å; N790-K794 PolarHBondContact O-N 2.83Å; R792-K794 VanDerWaalsContact C-N 3.31Å; R792-K794 PolarHBondContact O-N 3.28Å; K794-V796 VanDerWaalsContact C-N 3.26Å; K794-V796 PolarHBondContact O-N 3.5Å; K794-S797 WeakPolarHBondContact O-CA 3.21Å; K794-S797 WeakPolarHBondContact O-CB 3.02Å; K794-S797 PolarHBondContact O-N 2.98Å; K794-E798 PolarHBondContact O-N 3.26Å; K794-E798 VanDerWaalsContact O-N 3.1Å |
| 795 | R | 62.4 | Low | 61 | Low | 165 Ų | 165 | 124.3 Ų | 124.3 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -22 | -179 | -71.1 | 175 | -169 | -160.1 | 5.1 | 114 | E791 R792 S797 E798 | E791-R795 VanDerWaalsContact O-CG 3.29Å; E791-R795 WeakPolarHBondContact O-CG 3.38Å; E791-R795 PolarHBondContact O-N 3.23Å; E791-R795 IonicContact OE1-CZ 3.8Å; E791-R795 IonicContact OE1-NE 2.66Å; E791-R795 PolarHBondContact OE1-NE 3.18Å; E791-R795 IonicContact OE1-NH2 3.01Å; E791-R795 PolarHBondContact OE1-NH2 3.37Å; R792-R795 PolarHBondContact O-N 3.39Å; R792-R795 VanDerWaalsContact O-N 3.15Å; R795-S797 VanDerWaalsContact C-N 3.29Å; R795-E798 CarbonylContact O-C 3.59Å |
| 796 | V | 59.1 | Low | 60.8 | Low | 116 Ų | 116 | 124.1 Ų | 124.1 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.3 | -28.4 | 169.2 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | R792 D793 K794 | R792-V796 WeakPolarHBondContact O-CG2 3.44Å; R792-V796 PolarHBondContact O-N 2.94Å; D793-V796 PolarHBondContact O-N 2.9Å; K794-V796 VanDerWaalsContact C-N 3.26Å; K794-V796 PolarHBondContact O-N 3.5Å |
| 797 | S | 55.2 | Low | 60.7 | Low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.2 | -30.4 | 173.9 | -155.3 | 0 | 0 | 0 | 0 | 113 | D793 K794 R795 | D793-S797 PolarHBondContact O-N 3.14Å; K794-S797 WeakPolarHBondContact O-CA 3.21Å; K794-S797 WeakPolarHBondContact O-CB 3.02Å; K794-S797 PolarHBondContact O-N 2.98Å; R795-S797 VanDerWaalsContact C-N 3.29Å |
| 798 | E | 47.1 | Very low | 60.8 | Low | 141 Ų | 141 | 116.5 Ų | 116.5 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -105.2 | 83.7 | 179.1 | -68.6 | -177.5 | -174.3 | 0 | 0 | 112 | K794 R795 N800 | K794-E798 PolarHBondContact O-N 3.26Å; K794-E798 VanDerWaalsContact O-N 3.1Å; R795-E798 CarbonylContact O-C 3.59Å; E798-N800 PolarHBondContact O-N 3.46Å |
| 799 | G | 47.5 | Very low | 61.2 | Low | 79 Ų | 79 | 115.6 Ų | 115.6 | 81% | 0.814 | 59% | 0.594 | S | S | * | * | trans | -60.1 | 103.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 800 | N | 46.1 | Very low | 61.7 | Low | 143 Ų | 143 | 112.7 Ų | 112.7 | 77% | 0.765 | 58% | 0.583 | S | S | * | * | trans | -134 | 138.8 | -177 | -108.9 | -40.5 | 0 | 0 | 0 | 114.2 | E798 A802 | E798-N800 PolarHBondContact O-N 3.46Å; N800-A802 PolarHBondContact O-N 2.89Å; N800-A802 VanDerWaalsContact O-N 3.13Å | ||
| 801 | N | 47.9 | Very low | 62.1 | Low | 167 Ų | 167 | 109.2 Ų | 109.2 | 89% | 0.893 | 56% | 0.564 | S | S | * | * | trans | -80.5 | 86.7 | -173.3 | -80.3 | -49.7 | 0 | 0 | 0 | 113.3 | ||||
| 802 | A | 50.7 | Low | 62.9 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | trans | -80 | 134.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N800 | N800-A802 PolarHBondContact O-N 2.89Å; N800-A802 VanDerWaalsContact O-N 3.13Å | ||
| 803 | K | 47.7 | Very low | 63.6 | Low | 183 Ų | 183 | 108 Ų | 108 | 80% | 0.796 | 57% | 0.568 | S | S | * | * | trans | -74 | 147.6 | -172.2 | -68.2 | 173.8 | -179.6 | 172 | 0 | 113 | F805 D806 | K803-F805 PolarHBondContact O-N 3.11Å; K803-D806 WeakPolarHBondContact O-CB 3.4Å; K803-D806 PolarHBondContact O-N 2.74Å | ||
| 804 | K | 50.5 | Low | 64.5 | Low | 187 Ų | 187 | 106.5 Ų | 106.5 | 81% | 0.813 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.8 | -22.3 | -175.2 | -140.6 | 174.5 | -170.8 | 175.2 | 0 | 117.2 | D806 | K804-D806 VanDerWaalsContact C-N 3.31Š|
| 805 | F | 51.5 | Low | 65.4 | Low | 193 Ų | 193 | 100.5 Ų | 100.5 | 85% | 0.846 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -23.7 | 178.1 | -141.4 | -93.5 | 0 | 0 | 0 | 112.9 | K803 | K803-F805 PolarHBondContact O-N 3.11Š|
| 806 | D | 73.1 | Confident | 66.4 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.3 | -32.1 | -179.8 | -173.4 | 40.3 | 0 | 0 | 0 | 112.9 | K803 K804 A808 T809 R810 | K803-D806 WeakPolarHBondContact O-CB 3.4Å; K803-D806 PolarHBondContact O-N 2.74Å; K804-D806 VanDerWaalsContact C-N 3.31Å; D806-A808 VanDerWaalsContact C-N 3.32Å; D806-A808 PolarHBondContact O-N 2.75Å; D806-T809 PolarHBondContact O-N 2.82Å; D806-R810 PolarHBondContact O-N 2.75Å |
| 807 | L | 75.8 | Confident | 67.6 | Low | 38 Ų | 38 | 93.9 Ų | 93.9 | 20% | 0.199 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -51.3 | -47.8 | -176.3 | -179.3 | 63.1 | 0 | 0 | 0 | 113 | T809 V811 E925 | L807-T809 VanDerWaalsContact C-N 3.32Å; L807-T809 PolarHBondContact O-N 2.77Å; L807-V811 HydrophobicContact CD1-CG2 4.32Å; L807-V811 VanDerWaalsContact O-CG2 3.3Å; L807-V811 WeakPolarHBondContact O-CG2 3.02Å; L807-V811 PolarHBondContact O-N 2.67Å; L807-E925 HydrophobicContact CD1-CG 3.9Å |
| 808 | A | 78.9 | Confident | 68.8 | Low | 26 Ų | 26 | 90 Ų | 90 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -71.4 | -28.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D806 R812 I928 | D806-A808 VanDerWaalsContact C-N 3.32Å; D806-A808 PolarHBondContact O-N 2.75Å; A808-R812 WeakPolarHBondContact O-CB 3.46Å; A808-R812 VanDerWaalsContact O-CG 3.27Å; A808-R812 WeakPolarHBondContact O-CG 3.14Å; A808-R812 PolarHBondContact O-N 3.47Å; A808-R812 PolarHBondContact O-NE 3.4Å; A808-R812 PolarHBondContact O-NH1 3.36Å; A808-R812 PolarHBondContact O-NH2 2.89Å; A808-I928 HydrophobicContact CB-CD1 4.04Å; A808-I928 HydrophobicContact CB-CG2 4.39Å |
| 809 | T | 81.2 | Confident | 70.6 | Confident | 70 Ų | 70 | 86 Ų | 86 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.6 | -45.9 | 176 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | D806 L807 V811 R812 A813 | D806-T809 PolarHBondContact O-N 2.82Å; L807-T809 VanDerWaalsContact C-N 3.32Å; L807-T809 PolarHBondContact O-N 2.77Å; T809-V811 PolarHBondContact O-N 3.3Å; T809-R812 PolarHBondContact O-N 2.71Å; T809-R812 PolarHBondContact OG1-NH2 2.98Å; T809-A813 WeakPolarHBondContact O-CB 3.45Å; T809-A813 PolarHBondContact O-N 3.44Å |
| 810 | R | 81.7 | Confident | 72.4 | Confident | 112 Ų | 112 | 84.7 Ų | 84.7 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -54.8 | -49.4 | 173.5 | -178.8 | 173.9 | 64.1 | 77.3 | -5 | 112.4 | D806 A813 W814 E925 | D806-R810 PolarHBondContact O-N 2.75Å; R810-A813 PolarHBondContact O-N 3.2Å; R810-W814 PolarHBondContact O-N 3.21Å; R810-E925 IonicContact CZ-OE1 2.73Å; R810-E925 IonicContact NH1-OE1 2.8Å; R810-E925 PolarHBondContact NH1-OE1 3.16Å; R810-E925 IonicContact NH2-OE1 3.2Å; R810-E925 PolarHBondContact NH2-OE1 3.43Å |
| 811 | V | 83.1 | Confident | 74.1 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | L807 T809 A813 W814 V815 E925 I928 A929 | L807-V811 HydrophobicContact CD1-CG2 4.32Å; L807-V811 VanDerWaalsContact O-CG2 3.3Å; L807-V811 WeakPolarHBondContact O-CG2 3.02Å; L807-V811 PolarHBondContact O-N 2.67Å; T809-V811 PolarHBondContact O-N 3.3Å; V811-A813 VanDerWaalsContact C-N 3.34Å; V811-A813 PolarHBondContact O-N 2.84Å; V811-W814 PolarHBondContact O-N 3.46Å; V811-V815 HydrophobicContact CG1-CG2 4.36Å; V811-V815 WeakPolarHBondContact O-CG2 3.14Å; V811-V815 PolarHBondContact O-N 3.27Å; V811-E925 HydrophobicContact CG2-CB 3.94Å; V811-E925 HydrophobicContact CG2-CG 3.77Å; V811-I928 HydrophobicContact CB-CG2 4.06Å; V811-I928 HydrophobicContact CG1-CB 4.17Å; V811-I928 HydrophobicContact CG1-CG2 3.88Å; V811-A929 HydrophobicContact CG1-CB 4.04Å |
| 812 | R | 84.5 | Confident | 75.7 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176 | -75.7 | -175.1 | -59.6 | -99.9 | -2 | 112.5 | A808 T809 K816 I928 Y932 | A808-R812 WeakPolarHBondContact O-CB 3.46Å; A808-R812 VanDerWaalsContact O-CG 3.27Å; A808-R812 WeakPolarHBondContact O-CG 3.14Å; A808-R812 PolarHBondContact O-N 3.47Å; A808-R812 PolarHBondContact O-NE 3.4Å; A808-R812 PolarHBondContact O-NH1 3.36Å; A808-R812 PolarHBondContact O-NH2 2.89Å; T809-R812 PolarHBondContact O-N 2.71Å; T809-R812 PolarHBondContact OG1-NH2 2.98Å; R812-K816 VanDerWaalsContact O-CB 3.3Å; R812-K816 WeakPolarHBondContact O-CB 3.49Å; R812-K816 PolarHBondContact O-N 3.4Å; R812-I928 HydrophobicContact CG-CG2 4.4Å; R812-Y932 HydrophobicContact CB-CD2 4.29Å; R812-Y932 HydrophobicContact CB-CE2 4.42Å; R812-Y932 HydrophobicContact CG-CD2 3.73Å; R812-Y932 HydrophobicContact CG-CE2 4.31Å; R812-Y932 HydrophobicContact CG-CG 3.99Å |
| 813 | A | 81.7 | Confident | 77.3 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T809 R810 V811 K816 T817 | T809-A813 WeakPolarHBondContact O-CB 3.45Å; T809-A813 PolarHBondContact O-N 3.44Å; R810-A813 PolarHBondContact O-N 3.2Å; V811-A813 VanDerWaalsContact C-N 3.34Å; V811-A813 PolarHBondContact O-N 2.84Å; A813-K816 PolarHBondContact O-N 3.37Å; A813-T817 PolarHBondContact O-N 3.07Å; A813-T817 PolarHBondContact O-OG1 3.25Å |
| 814 | W | 82.2 | Confident | 79 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 176.1 | 172.2 | 79.3 | 0 | 0 | 0 | 112.4 | R810 V811 K816 T817 D818 Q919 L920 | R810-W814 PolarHBondContact O-N 3.21Å; V811-W814 PolarHBondContact O-N 3.46Å; W814-K816 VanDerWaalsContact C-N 3.27Å; W814-K816 PolarHBondContact O-N 3.33Å; W814-T817 WeakPolarHBondContact CA-OG1 3.49Å; W814-T817 PolarHBondContact O-N 3.13Å; W814-T817 PolarHBondContact O-OG1 3.35Å; W814-D818 PolarHBondContact O-N 3.47Å; W814-Q919 HydrophobicContact CZ2-CB 3.93Å; W814-Q919 HydrophobicContact CZ2-CG 4.46Å; W814-L920 HydrophobicContact CE3-CD2 4.31Å; W814-L920 HydrophobicContact CH2-CD2 4.33Å; W814-L920 HydrophobicContact CH2-CG 4.21Å; W814-L920 HydrophobicContact CZ3-CD1 4.45Å; W814-L920 HydrophobicContact CZ3-CD2 3.73Å; W814-L920 HydrophobicContact CZ3-CG 4.07Å |
| 815 | V | 84.5 | Confident | 80.4 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | V811 D818 L819 A929 Y932 L933 | V811-V815 HydrophobicContact CG1-CG2 4.36Å; V811-V815 WeakPolarHBondContact O-CG2 3.14Å; V811-V815 PolarHBondContact O-N 3.27Å; V815-D818 PolarHBondContact O-N 3.13Å; V815-L819 VanDerWaalsContact O-CB 3.3Å; V815-L819 WeakPolarHBondContact O-CB 3.42Å; V815-L819 PolarHBondContact O-N 3.09Å; V815-A929 HydrophobicContact CG2-CB 3.74Å; V815-Y932 HydrophobicContact CB-CD1 4.03Å; V815-Y932 HydrophobicContact CB-CE1 4.33Å; V815-Y932 HydrophobicContact CG1-CD1 3.67Å; V815-Y932 HydrophobicContact CG1-CE1 4.04Å; V815-L933 HydrophobicContact CG1-CD1 4.42Å; V815-L933 HydrophobicContact CG1-CD2 3.5Å; V815-L933 HydrophobicContact CG1-CG 3.8Å |
| 816 | K | 85.2 | Confident | 81.9 | Confident | 103 Ų | 103 | 50.3 Ų | 50.3 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 176.5 | -168.1 | -167.2 | 171.5 | -168.1 | 0 | 111.3 | R812 A813 W814 D818 L819 D820 Y932 | R812-K816 VanDerWaalsContact O-CB 3.3Å; R812-K816 WeakPolarHBondContact O-CB 3.49Å; R812-K816 PolarHBondContact O-N 3.4Å; A813-K816 PolarHBondContact O-N 3.37Å; W814-K816 VanDerWaalsContact C-N 3.27Å; W814-K816 PolarHBondContact O-N 3.33Å; K816-D818 VanDerWaalsContact C-N 3.31Å; K816-D818 PolarHBondContact O-N 3.27Å; K816-L819 PolarHBondContact O-N 3.07Å; K816-D820 WeakPolarHBondContact CE-OD2 3.42Å; K816-D820 WeakPolarHBondContact O-CB 3.42Å; K816-D820 PolarHBondContact O-N 3.3Å; K816-Y932 HydrophobicContact CB-CE1 4.27Å |
| 817 | T | 82.7 | Confident | 82.4 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -35.9 | -179.8 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | I788 A813 W814 I821 | I788-T817 HydrophobicContact CD1-CG2 4.28Å; A813-T817 PolarHBondContact O-N 3.07Å; A813-T817 PolarHBondContact O-OG1 3.25Å; W814-T817 WeakPolarHBondContact CA-OG1 3.49Å; W814-T817 PolarHBondContact O-N 3.13Å; W814-T817 PolarHBondContact O-OG1 3.35Å; T817-I821 WeakPolarHBondContact O-CD1 3.49Å; T817-I821 VanDerWaalsContact O-CG1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.41Å; T817-I821 PolarHBondContact O-N 2.99Å; T817-I821 VanDerWaalsContact O-N 3.08Å |
| 818 | D | 82 | Confident | 82.8 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.7 | -39.1 | 177.4 | -162.7 | 75.5 | 0 | 0 | 0 | 111.8 | W814 V815 K816 I821 Q822 R916 | W814-D818 PolarHBondContact O-N 3.47Å; V815-D818 PolarHBondContact O-N 3.13Å; K816-D818 VanDerWaalsContact C-N 3.31Å; K816-D818 PolarHBondContact O-N 3.27Å; D818-I821 PolarHBondContact O-N 2.9Å; D818-Q822 PolarHBondContact O-N 3.44Å; D818-R916 IonicContact OD1-CZ 3.9Å; D818-R916 IonicContact OD1-NE 3.46Å; D818-R916 IonicContact OD1-NH1 2.7Å; D818-R916 PolarHBondContact OD1-NH1 3.42Å; D818-R916 VanDerWaalsContact OD1-NH1 3.1Å; D818-R916 WeakPolarHBondContact OD2-CD 3.42Å; D818-R916 IonicContact OD2-CZ 3.51Å; D818-R916 IonicContact OD2-NE 3.69Å; D818-R916 IonicContact OD2-NH1 3.1Å; D818-R916 PolarHBondContact OD2-NH1 3.08Å |
| 819 | L | 84.1 | Confident | 83 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 173 | -177.1 | 64.7 | 0 | 0 | 0 | 111.8 | V815 K816 I821 Q822 I823 | V815-L819 VanDerWaalsContact O-CB 3.3Å; V815-L819 WeakPolarHBondContact O-CB 3.42Å; V815-L819 PolarHBondContact O-N 3.09Å; K816-L819 PolarHBondContact O-N 3.07Å; L819-I821 VanDerWaalsContact C-N 3.27Å; L819-I821 PolarHBondContact O-N 2.91Å; L819-Q822 PolarHBondContact O-N 2.95Å; L819-Q822 VanDerWaalsContact O-N 3.16Å; L819-I823 HydrophobicContact CD1-CD1 4.23Å; L819-I823 HydrophobicContact CD1-CG1 4.48Å; L819-I823 HydrophobicContact CG-CD1 3.92Å; L819-I823 WeakPolarHBondContact O-CG1 3.21Å; L819-I823 PolarHBondContact O-N 3.43Å |
| 820 | D | 84.7 | Confident | 83.2 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 176 | -69.1 | -22.8 | 0 | 0 | 0 | 110.6 | L781 K816 S824 | L781-D820 HydrophobicContact CD1-CB 4.17Å; L781-D820 WeakPolarHBondContact CD1-O 3.23Å; L781-D820 HydrophobicContact CD2-CB 4.03Å; K816-D820 WeakPolarHBondContact CE-OD2 3.42Å; K816-D820 WeakPolarHBondContact O-CB 3.42Å; K816-D820 PolarHBondContact O-N 3.3Å; D820-S824 WeakPolarHBondContact O-CB 3.34Å; D820-S824 PolarHBondContact O-N 3.44Å |
| 821 | I | 82.9 | Confident | 83.4 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 173.7 | -70.3 | 162.9 | 0 | 0 | 0 | 111.3 | L781 L782 Q785 T817 D818 L819 S824 M825 | L781-I821 HydrophobicContact CB-CG1 3.75Å; L782-I821 HydrophobicContact CD2-CG2 4.49Å; Q785-I821 HydrophobicContact CB-CD1 3.97Å; Q785-I821 HydrophobicContact CG-CD1 4.03Å; T817-I821 WeakPolarHBondContact O-CD1 3.49Å; T817-I821 VanDerWaalsContact O-CG1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.41Å; T817-I821 PolarHBondContact O-N 2.99Å; T817-I821 VanDerWaalsContact O-N 3.08Å; D818-I821 PolarHBondContact O-N 2.9Å; L819-I821 VanDerWaalsContact C-N 3.27Å; L819-I821 PolarHBondContact O-N 2.91Å; I821-S824 PolarHBondContact O-N 3.37Å; I821-M825 HydrophobicContact CG2-CG 4.35Å; I821-M825 HydrophobicContact CG2-SD 4.06Å; I821-M825 WeakPolarHBondContact O-CG 3.38Å; I821-M825 PolarHBondContact O-N 3.42Å |
| 822 | Q | 81.3 | Confident | 83.5 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 177.2 | -68.6 | -54.2 | -95.8 | 0 | 0 | 112.3 | D818 L819 S824 M825 D826 R916 | D818-Q822 PolarHBondContact O-N 3.44Å; L819-Q822 PolarHBondContact O-N 2.95Å; L819-Q822 VanDerWaalsContact O-N 3.16Å; Q822-S824 PolarHBondContact O-N 2.97Å; Q822-M825 PolarHBondContact NE2-SD 2.99Å; Q822-M825 WeakPolarHBondContact O-CB 3.47Å; Q822-M825 PolarHBondContact O-N 3.49Å; Q822-M825 VanDerWaalsContact O-N 3.07Å; Q822-D826 PolarHBondContact O-N 2.79Å; Q822-R916 VanDerWaalsContact NE2-NH1 3.16Å |
| 823 | I | 84.6 | Confident | 83.6 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.3 | -39.6 | 176.1 | -65.9 | 167.2 | 0 | 0 | 0 | 110.7 | L819 D826 A827 | L819-I823 HydrophobicContact CD1-CD1 4.23Å; L819-I823 HydrophobicContact CD1-CG1 4.48Å; L819-I823 HydrophobicContact CG-CD1 3.92Å; L819-I823 WeakPolarHBondContact O-CG1 3.21Å; L819-I823 PolarHBondContact O-N 3.43Å; I823-D826 PolarHBondContact O-N 3.44Å; I823-A827 WeakPolarHBondContact O-CB 3.31Å; I823-A827 PolarHBondContact O-N 2.9Å |
| 824 | S | 82.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.3 | -30.8 | 177.2 | -163.5 | 0 | 0 | 0 | 0 | 113.6 | L778 D820 I821 Q822 V828 | L778-S824 WeakPolarHBondContact CA-OG 3.32Å; L778-S824 WeakPolarHBondContact CB-OG 3.39Å; L778-S824 PolarHBondContact N-OG 2.81Å; D820-S824 WeakPolarHBondContact O-CB 3.34Å; D820-S824 PolarHBondContact O-N 3.44Å; I821-S824 PolarHBondContact O-N 3.37Å; Q822-S824 PolarHBondContact O-N 2.97Å; S824-V828 WeakPolarHBondContact O-CG2 3.11Å; S824-V828 PolarHBondContact O-N 3.28Å; S824-V828 VanDerWaalsContact O-N 3.15Å |
| 825 | M | 81.1 | Confident | 84 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -45.4 | 170.7 | -71.8 | 176 | 74.5 | 0 | 0 | 110.5 | L778 I821 Q822 A827 V828 R829 L891 A894 E896 | L778-M825 HydrophobicContact CD1-CG 3.82Å; I821-M825 HydrophobicContact CG2-CG 4.35Å; I821-M825 HydrophobicContact CG2-SD 4.06Å; I821-M825 WeakPolarHBondContact O-CG 3.38Å; I821-M825 PolarHBondContact O-N 3.42Å; Q822-M825 PolarHBondContact NE2-SD 2.99Å; Q822-M825 WeakPolarHBondContact O-CB 3.47Å; Q822-M825 PolarHBondContact O-N 3.49Å; Q822-M825 VanDerWaalsContact O-N 3.07Å; M825-A827 VanDerWaalsContact C-N 3.35Å; M825-A827 PolarHBondContact O-N 3.35Å; M825-V828 CarbonylContact O-C 3.58Å; M825-V828 WeakPolarHBondContact O-CA 3.3Å; M825-V828 PolarHBondContact O-N 2.86Å; M825-V828 VanDerWaalsContact O-N 3.1Å; M825-R829 WeakPolarHBondContact O-CG 3.23Å; M825-R829 PolarHBondContact O-N 3.42Å; M825-L891 HydrophobicContact CB-CD2 4.19Å; M825-L891 HydrophobicContact CE-CD2 4.45Å; M825-L891 HydrophobicContact CG-CD2 4.37Å; M825-A894 HydrophobicContact CE-CB 3.85Å; M825-A894 HydrophobicContact CG-CB 4.03Å; M825-A894 HydrophobicContact SD-CB 3.82Å; M825-E896 HydrophobicContact CE-CB 4.14Å |
| 826 | D | 81.8 | Confident | 84 | Confident | 86 Ų | 86 | 51.7 Ų | 51.7 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 177.7 | -70.4 | -33 | 0 | 0 | 0 | 112.3 | Q822 I823 V828 R829 Y830 | Q822-D826 PolarHBondContact O-N 2.79Å; I823-D826 PolarHBondContact O-N 3.44Å; D826-V828 VanDerWaalsContact C-N 3.34Å; D826-V828 PolarHBondContact O-N 2.86Å; D826-R829 PolarHBondContact O-N 2.73Å; D826-R829 IonicContact OD1-CZ 3.33Å; D826-R829 IonicContact OD1-NH1 3.13Å; D826-R829 PolarHBondContact OD1-NH1 2.99Å; D826-Y830 WeakPolarHBondContact O-CB 3.27Å; D826-Y830 PolarHBondContact O-N 2.61Å |
| 827 | A | 84.1 | Confident | 84 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A774 I823 M825 Y830 H831 | A774-A827 HydrophobicContact CB-CB 4.42Å; I823-A827 WeakPolarHBondContact O-CB 3.31Å; I823-A827 PolarHBondContact O-N 2.9Å; M825-A827 VanDerWaalsContact C-N 3.35Å; M825-A827 PolarHBondContact O-N 3.35Å; A827-Y830 PolarHBondContact O-N 3.17Å; A827-H831 PolarHBondContact O-CD2 3.11Å; A827-H831 PolarHBondContact O-N 2.86Å |
| 828 | V | 84 | Confident | 84.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 174.7 | 166.3 | 0 | 0 | 0 | 0 | 111.6 | A774 L778 S824 M825 D826 H831 L832 L887 L891 | A774-V828 HydrophobicContact CB-CG2 4.34Å; L778-V828 HydrophobicContact CB-CG2 4.39Å; L778-V828 HydrophobicContact CD2-CB 4.33Å; L778-V828 HydrophobicContact CD2-CG1 4.47Å; L778-V828 HydrophobicContact CD2-CG2 3.92Å; S824-V828 WeakPolarHBondContact O-CG2 3.11Å; S824-V828 PolarHBondContact O-N 3.28Å; S824-V828 VanDerWaalsContact O-N 3.15Å; M825-V828 CarbonylContact O-C 3.58Å; M825-V828 WeakPolarHBondContact O-CA 3.3Å; M825-V828 PolarHBondContact O-N 2.86Å; M825-V828 VanDerWaalsContact O-N 3.1Å; D826-V828 VanDerWaalsContact C-N 3.34Å; D826-V828 PolarHBondContact O-N 2.86Å; V828-H831 PolarHBondContact O-N 3Å; V828-L832 VanDerWaalsContact O-CB 3.26Å; V828-L832 WeakPolarHBondContact O-CB 3.46Å; V828-L832 PolarHBondContact O-N 3.16Å; V828-L887 HydrophobicContact CG1-CB 4.24Å; V828-L887 HydrophobicContact CG1-CD2 3.95Å; V828-L887 HydrophobicContact CG2-CD2 4.49Å; V828-L891 HydrophobicContact CB-CD2 4.14Å; V828-L891 HydrophobicContact CG1-CD1 4.04Å; V828-L891 HydrophobicContact CG1-CD2 3.72Å; V828-L891 HydrophobicContact CG1-CG 3.67Å |
| 829 | R | 83.3 | Confident | 84.4 | Confident | 72 Ų | 72 | 54 Ų | 54 | 27% | 0.272 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 173.4 | -70.3 | 173.8 | -174.6 | 135.1 | -8 | 112 | M825 D826 L832 S833 L891 E896 | M825-R829 WeakPolarHBondContact O-CG 3.23Å; M825-R829 PolarHBondContact O-N 3.42Å; D826-R829 PolarHBondContact O-N 2.73Å; D826-R829 IonicContact OD1-CZ 3.33Å; D826-R829 IonicContact OD1-NH1 3.13Å; D826-R829 PolarHBondContact OD1-NH1 2.99Å; R829-L832 PolarHBondContact O-N 3.2Å; R829-S833 PolarHBondContact O-N 3.12Å; R829-L891 HydrophobicContact CG-CD1 3.99Å; R829-L891 HydrophobicContact CG-CD2 4.15Å; R829-E896 IonicContact CZ-OE1 2.77Å; R829-E896 IonicContact CZ-OE2 2.69Å; R829-E896 IonicContact NE-OE1 2.96Å; R829-E896 PolarHBondContact NE-OE1 3.45Å; R829-E896 VanDerWaalsContact NE-OE1 3.13Å; R829-E896 IonicContact NE-OE2 2.64Å; R829-E896 PolarHBondContact NE-OE2 3.22Å; R829-E896 VanDerWaalsContact NH2-CD 3.31Å; R829-E896 IonicContact NH2-OE1 3.69Å; R829-E896 PolarHBondContact NH2-OE1 2.96Å; R829-E896 IonicContact NH2-OE2 2.61Å; R829-E896 PolarHBondContact NH2-OE2 3.08Å |
| 830 | Y | 85 | Confident | 84.6 | Confident | 154 Ų | 154 | 57.5 Ų | 57.5 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 174.4 | 173.6 | -97.6 | 0 | 0 | 0 | 111.5 | D826 A827 S833 H834 | D826-Y830 WeakPolarHBondContact O-CB 3.27Å; D826-Y830 PolarHBondContact O-N 2.61Å; A827-Y830 PolarHBondContact O-N 3.17Å; Y830-S833 PolarHBondContact O-N 3.11Å; Y830-H834 WeakPolarHBondContact O-CB 3.49Å; Y830-H834 PolarHBondContact O-N 2.66Å |
| 831 | H | 85.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 18% | 0.181 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 175.3 | -73.1 | -55.4 | 0 | 0 | 0 | 112.4 | A827 V828 H834 F835 | A827-H831 PolarHBondContact O-CD2 3.11Å; A827-H831 PolarHBondContact O-N 2.86Å; V828-H831 PolarHBondContact O-N 3Å; H831-H834 PolarHBondContact O-N 3.24Å; H831-F835 HydrophobicContact CB-CD2 4.43Å; H831-F835 HydrophobicContact CB-CE2 4.29Å; H831-F835 WeakPolarHBondContact O-CB 3.43Å; H831-F835 WeakPolarHBondContact O-CD2 3.48Å; H831-F835 WeakPolarHBondContact O-CG 3.45Å; H831-F835 PolarHBondContact O-N 3.22Å |
| 832 | L | 85.8 | Confident | 84.9 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 176.5 | 177.4 | 62.5 | 0 | 0 | 0 | 111.8 | V828 R829 F835 M836 I884 L887 Q888 L891 | V828-L832 VanDerWaalsContact O-CB 3.26Å; V828-L832 WeakPolarHBondContact O-CB 3.46Å; V828-L832 PolarHBondContact O-N 3.16Å; R829-L832 PolarHBondContact O-N 3.2Å; L832-F835 PolarHBondContact O-N 3.24Å; L832-M836 HydrophobicContact CD1-SD 4.41Å; L832-M836 HydrophobicContact CG-SD 4.24Å; L832-M836 WeakPolarHBondContact O-CG 3.48Å; L832-M836 PolarHBondContact O-N 3.12Å; L832-I884 HydrophobicContact CD1-CB 4.31Å; L832-I884 HydrophobicContact CD1-CG1 4.26Å; L832-I884 HydrophobicContact CD1-CG2 3.89Å; L832-L887 HydrophobicContact CD1-CB 4.38Å; L832-Q888 HydrophobicContact CD1-CG 3.98Å; L832-Q888 HydrophobicContact CD2-CG 3.97Å; L832-L891 HydrophobicContact CD2-CD1 3.76Å |
| 833 | S | 86 | Confident | 85.2 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 174.8 | -167 | 0 | 0 | 0 | 0 | 110.8 | R829 Y830 F835 M836 D837 | R829-S833 PolarHBondContact O-N 3.12Å; Y830-S833 PolarHBondContact O-N 3.11Å; S833-F835 VanDerWaalsContact C-N 3.31Å; S833-F835 PolarHBondContact O-N 3.37Å; S833-M836 WeakPolarHBondContact O-CB 3.43Å; S833-M836 PolarHBondContact O-N 3.38Å; S833-M836 VanDerWaalsContact O-N 3.1Å; S833-D837 PolarHBondContact O-N 3.42Å |
| 834 | H | 85.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 35% | 0.352 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 177.9 | -177.1 | -64.8 | 0 | 0 | 0 | 112.5 | Y830 H831 S838 | Y830-H834 WeakPolarHBondContact O-CB 3.49Å; Y830-H834 PolarHBondContact O-N 2.66Å; H831-H834 PolarHBondContact O-N 3.24Å; H834-S838 WeakPolarHBondContact O-CB 3.37Å; H834-S838 PolarHBondContact O-N 2.99Å |
| 835 | F | 86.2 | Confident | 85.5 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 173.1 | -75.2 | -57.1 | 0 | 0 | 0 | 112.1 | A771 H831 L832 S833 R839 I884 L887 | A771-F835 HydrophobicContact CB-CE2 3.69Å; A771-F835 HydrophobicContact CB-CZ 3.75Å; H831-F835 HydrophobicContact CB-CD2 4.43Å; H831-F835 HydrophobicContact CB-CE2 4.29Å; H831-F835 WeakPolarHBondContact O-CB 3.43Å; H831-F835 WeakPolarHBondContact O-CD2 3.48Å; H831-F835 WeakPolarHBondContact O-CG 3.45Å; H831-F835 PolarHBondContact O-N 3.22Å; L832-F835 PolarHBondContact O-N 3.24Å; S833-F835 VanDerWaalsContact C-N 3.31Å; S833-F835 PolarHBondContact O-N 3.37Å; F835-R839 WeakPolarHBondContact O-CB 3.25Å; F835-R839 PolarHBondContact O-N 3.27Å; F835-I884 HydrophobicContact CB-CD1 4.16Å; F835-I884 HydrophobicContact CB-CG1 3.78Å; F835-L887 HydrophobicContact CD2-CD1 3.6Å; F835-L887 HydrophobicContact CE2-CD1 3.83Å |
| 836 | M | 86 | Confident | 85.8 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 47% | 0.473 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 172.2 | -75.3 | 172.3 | 45.4 | 0 | 0 | 111.8 | L832 S833 R839 K840 I884 | L832-M836 HydrophobicContact CD1-SD 4.41Å; L832-M836 HydrophobicContact CG-SD 4.24Å; L832-M836 WeakPolarHBondContact O-CG 3.48Å; L832-M836 PolarHBondContact O-N 3.12Å; S833-M836 WeakPolarHBondContact O-CB 3.43Å; S833-M836 PolarHBondContact O-N 3.38Å; S833-M836 VanDerWaalsContact O-N 3.1Å; M836-R839 PolarHBondContact O-N 3.39Å; M836-K840 WeakPolarHBondContact O-CB 3.43Å; M836-K840 PolarHBondContact O-N 2.95Å; M836-I884 HydrophobicContact CG-CD1 4.35Å |
| 837 | D | 84.6 | Confident | 86.2 | Confident | 90 Ų | 90 | 68 Ų | 68 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 176.4 | -69.3 | -40.1 | 0 | 0 | 0 | 111.5 | S833 R839 K840 T841 | S833-D837 PolarHBondContact O-N 3.42Å; D837-R839 VanDerWaalsContact C-N 3.34Å; D837-R839 PolarHBondContact O-N 2.88Å; D837-K840 WeakPolarHBondContact O-CB 3.34Å; D837-K840 PolarHBondContact O-N 3.14Å; D837-T841 WeakPolarHBondContact O-CG2 3.37Å; D837-T841 PolarHBondContact O-N 3.37Å |
| 838 | S | 84.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 174.2 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | H834 K840 T841 L842 Q880 | H834-S838 WeakPolarHBondContact O-CB 3.37Å; H834-S838 PolarHBondContact O-N 2.99Å; S838-K840 VanDerWaalsContact C-N 3.31Å; S838-K840 PolarHBondContact O-N 3.45Å; S838-T841 PolarHBondContact O-N 2.65Å; S838-T841 PolarHBondContact O-OG1 2.85Å; S838-L842 WeakPolarHBondContact O-CG 3.18Å; S838-L842 PolarHBondContact O-N 3.02Å; S838-Q880 PolarHBondContact OG-NE2 2.91Å |
| 839 | R | 87.6 | Confident | 86.4 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178.5 | -166.5 | -176.1 | 75.2 | 131.1 | 6.7 | 110.9 | F835 M836 D837 L842 C843 I877 Q880 T881 I884 | F835-R839 WeakPolarHBondContact O-CB 3.25Å; F835-R839 PolarHBondContact O-N 3.27Å; M836-R839 PolarHBondContact O-N 3.39Å; D837-R839 VanDerWaalsContact C-N 3.34Å; D837-R839 PolarHBondContact O-N 2.88Å; R839-L842 PolarHBondContact O-N 3.04Å; R839-C843 WeakPolarHBondContact O-CB 3.47Å; R839-C843 PolarHBondContact O-N 3.39Å; R839-C843 PolarHBondContact O-SG 3.27Å; R839-I877 HydrophobicContact CG-CG2 4.27Å; R839-Q880 VanDerWaalsContact CA-OE1 3.23Å; R839-Q880 VanDerWaalsContact N-OE1 3.17Å; R839-T881 WeakPolarHBondContact CD-OG1 3.46Å; R839-T881 PolarHBondContact NH1-OG1 3.47Å; R839-I884 HydrophobicContact CB-CD1 4.24Å |
| 840 | K | 89 | Confident | 86.5 | Confident | 130 Ų | 130 | 70.8 Ų | 70.8 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.7 | -50.1 | 172.1 | -178.5 | -177.7 | 175.1 | -173.5 | 0 | 110.9 | M836 D837 S838 L842 C843 D844 | M836-K840 WeakPolarHBondContact O-CB 3.43Å; M836-K840 PolarHBondContact O-N 2.95Å; D837-K840 WeakPolarHBondContact O-CB 3.34Å; D837-K840 PolarHBondContact O-N 3.14Å; S838-K840 VanDerWaalsContact C-N 3.31Å; S838-K840 PolarHBondContact O-N 3.45Å; K840-L842 VanDerWaalsContact C-N 3.33Å; K840-L842 PolarHBondContact O-N 3.43Å; K840-C843 PolarHBondContact O-N 2.95Å; K840-D844 WeakPolarHBondContact O-CB 3.43Å; K840-D844 VanDerWaalsContact O-CG 3.3Å; K840-D844 PolarHBondContact O-N 3.28Å |
| 841 | T | 86.8 | Confident | 86.4 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | D837 S838 R845 | D837-T841 WeakPolarHBondContact O-CG2 3.37Å; D837-T841 PolarHBondContact O-N 3.37Å; S838-T841 PolarHBondContact O-N 2.65Å; S838-T841 PolarHBondContact O-OG1 2.85Å; T841-R845 WeakPolarHBondContact O-CB 3.35Å; T841-R845 WeakPolarHBondContact O-CG 3.49Å; T841-R845 PolarHBondContact O-N 3.4Å |
| 842 | L | 86.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 173 | -67.1 | -175.7 | 0 | 0 | 0 | 111.5 | S838 R839 K840 D844 R845 L846 L873 I877 | S838-L842 WeakPolarHBondContact O-CG 3.18Å; S838-L842 PolarHBondContact O-N 3.02Å; R839-L842 PolarHBondContact O-N 3.04Å; K840-L842 VanDerWaalsContact C-N 3.33Å; K840-L842 PolarHBondContact O-N 3.43Å; L842-D844 VanDerWaalsContact C-N 3.35Å; L842-R845 PolarHBondContact O-N 3.15Å; L842-L846 VanDerWaalsContact O-CB 3.3Å; L842-L846 WeakPolarHBondContact O-CB 3.42Å; L842-L846 PolarHBondContact O-N 3.46Å; L842-L873 HydrophobicContact CD2-CD2 3.82Å; L842-I877 HydrophobicContact CB-CD1 4.06Å; L842-I877 HydrophobicContact CB-CG1 3.71Å; L842-I877 HydrophobicContact CD1-CG1 4.23Å |
| 843 | C | 88.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 174 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | R839 K840 L846 R847 | R839-C843 WeakPolarHBondContact O-CB 3.47Å; R839-C843 PolarHBondContact O-N 3.39Å; R839-C843 PolarHBondContact O-SG 3.27Å; K840-C843 PolarHBondContact O-N 2.95Å; C843-L846 PolarHBondContact O-N 3.38Å; C843-R847 WeakPolarHBondContact O-CB 3.42Å; C843-R847 VanDerWaalsContact O-CG 3.23Å; C843-R847 WeakPolarHBondContact O-CG 3.22Å; C843-R847 PolarHBondContact O-N 3.38Å |
| 844 | D | 88.1 | Confident | 85.9 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.5 | -34.9 | 177.5 | -67.6 | -26.8 | 0 | 0 | 0 | 111.4 | K840 L842 R847 T848 | K840-D844 WeakPolarHBondContact O-CB 3.43Å; K840-D844 VanDerWaalsContact O-CG 3.3Å; K840-D844 PolarHBondContact O-N 3.28Å; L842-D844 VanDerWaalsContact C-N 3.35Å; D844-R847 IonicContact OD1-NH1 2.61Å; D844-R847 PolarHBondContact OD1-NH1 3.34Å; D844-T848 WeakPolarHBondContact O-CB 3.35Å; D844-T848 PolarHBondContact O-N 2.97Å; D844-T848 PolarHBondContact O-OG1 2.76Å |
| 845 | R | 86.2 | Confident | 85.6 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 51% | 0.506 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 168 | -76.7 | -174.7 | 70.8 | -178.7 | -1.7 | 111.8 | T841 L842 T848 I849 E869 | T841-R845 WeakPolarHBondContact O-CB 3.35Å; T841-R845 WeakPolarHBondContact O-CG 3.49Å; T841-R845 PolarHBondContact O-N 3.4Å; L842-R845 PolarHBondContact O-N 3.15Å; R845-T848 WeakPolarHBondContact O-CB 3.27Å; R845-T848 PolarHBondContact O-N 2.87Å; R845-T848 VanDerWaalsContact O-N 3.13Å; R845-I849 WeakPolarHBondContact O-CD1 3.43Å; R845-I849 WeakPolarHBondContact O-CG1 3.37Å; R845-I849 PolarHBondContact O-N 3.43Å; R845-E869 IonicContact NH2-OE1 2.65Å; R845-E869 PolarHBondContact NH2-OE1 3.16Å |
| 846 | L | 87.4 | Confident | 85.2 | Confident | 22 Ų | 22 | 69.5 Ų | 69.5 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -52.6 | 176.5 | -177.9 | 67.6 | 0 | 0 | 0 | 110 | L842 C843 T848 I849 E850 V870 L873 I877 | L842-L846 VanDerWaalsContact O-CB 3.3Å; L842-L846 WeakPolarHBondContact O-CB 3.42Å; L842-L846 PolarHBondContact O-N 3.46Å; C843-L846 PolarHBondContact O-N 3.38Å; L846-T848 VanDerWaalsContact C-N 3.28Å; L846-T848 PolarHBondContact O-N 3.42Å; L846-I849 CarbonylContact O-C 3.59Å; L846-I849 WeakPolarHBondContact O-CA 3.43Å; L846-I849 PolarHBondContact O-N 3.17Å; L846-E850 HydrophobicContact CD1-CG 4.45Å; L846-E850 HydrophobicContact CG-CG 4.33Å; L846-E850 WeakPolarHBondContact O-CB 3.38Å; L846-E850 WeakPolarHBondContact O-CG 3.49Å; L846-E850 PolarHBondContact O-N 2.76Å; L846-V870 HydrophobicContact CD1-CB 4.22Å; L846-V870 HydrophobicContact CD1-CG1 4.06Å; L846-V870 HydrophobicContact CD1-CG2 3.98Å; L846-L873 HydrophobicContact CB-CD1 4.46Å; L846-L873 HydrophobicContact CD1-CB 4.09Å; L846-L873 HydrophobicContact CD1-CD1 4.38Å; L846-I877 HydrophobicContact CB-CD1 4.25Å; L846-I877 HydrophobicContact CD2-CD1 3.81Å |
| 847 | R | 89.2 | Confident | 84.6 | Confident | 154 Ų | 154 | 71.8 Ų | 71.8 | 58% | 0.581 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.7 | -38.9 | 172.9 | -74.1 | 166.5 | 176.2 | 170.1 | -7.5 | 113.3 | C843 D844 I849 A851 | C843-R847 WeakPolarHBondContact O-CB 3.42Å; C843-R847 VanDerWaalsContact O-CG 3.23Å; C843-R847 WeakPolarHBondContact O-CG 3.22Å; C843-R847 PolarHBondContact O-N 3.38Å; D844-R847 IonicContact OD1-NH1 2.61Å; D844-R847 PolarHBondContact OD1-NH1 3.34Å; R847-I849 VanDerWaalsContact C-N 3.32Å; R847-A851 WeakPolarHBondContact O-CB 3.28Å; R847-A851 PolarHBondContact O-N 3.05Å |
| 848 | T | 87.2 | Confident | 83.9 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | D844 R845 L846 K852 | D844-T848 WeakPolarHBondContact O-CB 3.35Å; D844-T848 PolarHBondContact O-N 2.97Å; D844-T848 PolarHBondContact O-OG1 2.76Å; R845-T848 WeakPolarHBondContact O-CB 3.27Å; R845-T848 PolarHBondContact O-N 2.87Å; R845-T848 VanDerWaalsContact O-N 3.13Å; L846-T848 VanDerWaalsContact C-N 3.28Å; L846-T848 PolarHBondContact O-N 3.42Å; T848-K852 WeakPolarHBondContact O-CB 3.41Å; T848-K852 VanDerWaalsContact O-CG 3.26Å; T848-K852 WeakPolarHBondContact O-CG 3.47Å; T848-K852 PolarHBondContact O-N 3.18Å |
| 849 | I | 84.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 78.2 Ų | 78.2 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.3 | -42.2 | 177.1 | -67.3 | 156.6 | 0 | 0 | 0 | 110.4 | R845 L846 R847 A851 K852 M853 Y866 E869 V870 L873 | R845-I849 WeakPolarHBondContact O-CD1 3.43Å; R845-I849 WeakPolarHBondContact O-CG1 3.37Å; R845-I849 PolarHBondContact O-N 3.43Å; L846-I849 CarbonylContact O-C 3.59Å; L846-I849 WeakPolarHBondContact O-CA 3.43Å; L846-I849 PolarHBondContact O-N 3.17Å; R847-I849 VanDerWaalsContact C-N 3.32Å; I849-A851 PolarHBondContact O-N 2.89Å; I849-K852 CarbonylContact O-C 3.58Å; I849-K852 WeakPolarHBondContact O-CA 3.25Å; I849-K852 WeakPolarHBondContact O-CB 3.48Å; I849-K852 PolarHBondContact O-N 3.37Å; I849-K852 VanDerWaalsContact O-N 3.13Å; I849-M853 HydrophobicContact CG2-CG 4.43Å; I849-M853 WeakPolarHBondContact O-CG 3.27Å; I849-M853 PolarHBondContact O-N 3.44Å; I849-Y866 HydrophobicContact CG2-CD1 3.84Å; I849-Y866 HydrophobicContact CG2-CG 4.05Å; I849-E869 HydrophobicContact CD1-CG 3.84Å; I849-E869 WeakPolarHBondContact CD1-OE1 3.35Å; I849-V870 HydrophobicContact CG2-CG2 3.7Å; I849-L873 HydrophobicContact CD1-CD1 3.38Å |
| 850 | E | 84.8 | Confident | 82.4 | Confident | 82 Ų | 82 | 76 Ų | 76 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 172.1 | -70.5 | 170 | 155.9 | 0 | 0 | 111.3 | L846 K852 M853 E854 | L846-E850 HydrophobicContact CD1-CG 4.45Å; L846-E850 HydrophobicContact CG-CG 4.33Å; L846-E850 WeakPolarHBondContact O-CB 3.38Å; L846-E850 WeakPolarHBondContact O-CG 3.49Å; L846-E850 PolarHBondContact O-N 2.76Å; E850-K852 VanDerWaalsContact C-N 3.35Å; E850-K852 PolarHBondContact O-N 2.83Å; E850-M853 HydrophobicContact CG-CE 4.3Å; E850-M853 PolarHBondContact O-N 3.32Å; E850-E854 WeakPolarHBondContact O-CB 3.45Å; E850-E854 PolarHBondContact O-N 2.91Å |
| 851 | A | 84.3 | Confident | 80.9 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R847 I849 E854 S855 | R847-A851 WeakPolarHBondContact O-CB 3.28Å; R847-A851 PolarHBondContact O-N 3.05Å; I849-A851 PolarHBondContact O-N 2.89Å; A851-E854 PolarHBondContact O-N 3.27Å; A851-S855 WeakPolarHBondContact O-CB 3.38Å; A851-S855 PolarHBondContact O-N 2.95Å |
| 852 | K | 83.4 | Confident | 79.8 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 170.8 | -78.2 | 173.1 | 179.3 | -175.9 | 0 | 112.2 | T848 I849 E850 E854 S855 C856 Y866 | T848-K852 WeakPolarHBondContact O-CB 3.41Å; T848-K852 VanDerWaalsContact O-CG 3.26Å; T848-K852 WeakPolarHBondContact O-CG 3.47Å; T848-K852 PolarHBondContact O-N 3.18Å; I849-K852 CarbonylContact O-C 3.58Å; I849-K852 WeakPolarHBondContact O-CA 3.25Å; I849-K852 WeakPolarHBondContact O-CB 3.48Å; I849-K852 PolarHBondContact O-N 3.37Å; I849-K852 VanDerWaalsContact O-N 3.13Å; E850-K852 VanDerWaalsContact C-N 3.35Å; E850-K852 PolarHBondContact O-N 2.83Å; K852-E854 VanDerWaalsContact C-N 3.32Å; K852-S855 PolarHBondContact O-N 3.29Å; K852-C856 VanDerWaalsContact O-CB 3.31Å; K852-C856 WeakPolarHBondContact O-CB 3.48Å; K852-C856 PolarHBondContact O-N 3.21Å; K852-C856 PolarHBondContact O-SG 3.48Å; K852-Y866 HydrophobicContact CD-CE1 4.46Å |
| 853 | M | 81.8 | Confident | 79.1 | Confident | 28 Ų | 28 | 76.1 Ų | 76.1 | 14% | 0.138 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 174.7 | -70.3 | -161.6 | -55.3 | 0 | 0 | 110.6 | I849 E850 C856 R857 Y863 Y866 V870 | I849-M853 HydrophobicContact CG2-CG 4.43Å; I849-M853 WeakPolarHBondContact O-CG 3.27Å; I849-M853 PolarHBondContact O-N 3.44Å; E850-M853 HydrophobicContact CG-CE 4.3Å; E850-M853 PolarHBondContact O-N 3.32Å; M853-C856 CarbonylContact O-C 3.51Å; M853-C856 PolarHBondContact O-N 3.15Å; M853-R857 WeakPolarHBondContact O-CB 3.46Å; M853-R857 VanDerWaalsContact O-CG 3.28Å; M853-R857 WeakPolarHBondContact O-CG 3.2Å; M853-R857 PolarHBondContact O-N 3.17Å; M853-Y863 HydrophobicContact CG-CD2 4.4Å; M853-Y863 HydrophobicContact SD-CD2 4.04Å; M853-Y866 HydrophobicContact CG-CD2 4.1Å; M853-Y866 HydrophobicContact CG-CG 4.11Å; M853-V870 HydrophobicContact CE-CG2 3.73Å; M853-V870 HydrophobicContact SD-CG2 4.12Å |
| 854 | E | 80.6 | Confident | 78.3 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 176.8 | -172.9 | 53.8 | -148.1 | 0 | 0 | 111.6 | E850 A851 K852 R857 Q858 | E850-E854 WeakPolarHBondContact O-CB 3.45Å; E850-E854 PolarHBondContact O-N 2.91Å; A851-E854 PolarHBondContact O-N 3.27Å; K852-E854 VanDerWaalsContact C-N 3.32Å; E854-R857 WeakPolarHBondContact O-CB 3.38Å; E854-R857 PolarHBondContact O-N 3.15Å; E854-Q858 WeakPolarHBondContact O-CG 3.28Å; E854-Q858 PolarHBondContact O-N 2.86Å; E854-Q858 PolarHBondContact OE1-NE2 3.13Å |
| 855 | S | 79.4 | Confident | 77.6 | Confident | 57 Ų | 57 | 84.3 Ų | 84.3 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 168.8 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | A851 K852 R857 Q858 D859 | A851-S855 WeakPolarHBondContact O-CB 3.38Å; A851-S855 PolarHBondContact O-N 2.95Å; K852-S855 PolarHBondContact O-N 3.29Å; S855-R857 VanDerWaalsContact C-N 3.28Å; S855-R857 PolarHBondContact O-N 3.49Å; S855-Q858 PolarHBondContact O-N 3.29Å; S855-Q858 VanDerWaalsContact O-N 3.09Å; S855-D859 WeakPolarHBondContact O-CB 3.41Å; S855-D859 PolarHBondContact O-N 3.23Å; S855-D859 VanDerWaalsContact O-OD2 3.09Å; S855-D859 PolarHBondContact OG-OD2 3.42Å; S855-D859 VanDerWaalsContact OG-OD2 3.09Å |
| 856 | C | 78.8 | Confident | 77.3 | Confident | 9 Ų | 9 | 80.2 Ų | 80.2 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.8 | -35.1 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | K852 M853 G860 Q861 | K852-C856 VanDerWaalsContact O-CB 3.31Å; K852-C856 WeakPolarHBondContact O-CB 3.48Å; K852-C856 PolarHBondContact O-N 3.21Å; K852-C856 PolarHBondContact O-SG 3.48Å; M853-C856 CarbonylContact O-C 3.51Å; M853-C856 PolarHBondContact O-N 3.15Å; C856-G860 CarbonylContact O-C 3.19Å; C856-G860 WeakPolarHBondContact O-CA 3.48Å; C856-G860 PolarHBondContact O-N 3.09Å; C856-Q861 HydrophobicContact CB-CB 3.91Å; C856-Q861 PolarHBondContact O-N 3.5Å |
| 857 | R | 72.6 | Confident | 77 | Confident | 144 Ų | 144 | 82 Ų | 82 | 54% | 0.543 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 173.2 | -80.2 | 174.4 | 171.6 | -158.6 | -4.8 | 112 | M853 E854 S855 Y863 | M853-R857 WeakPolarHBondContact O-CB 3.46Å; M853-R857 VanDerWaalsContact O-CG 3.28Å; M853-R857 WeakPolarHBondContact O-CG 3.2Å; M853-R857 PolarHBondContact O-N 3.17Å; E854-R857 WeakPolarHBondContact O-CB 3.38Å; E854-R857 PolarHBondContact O-N 3.15Å; S855-R857 VanDerWaalsContact C-N 3.28Å; S855-R857 PolarHBondContact O-N 3.49Å; R857-Y863 HydrophobicContact CG-CD1 4.02Å; R857-Y863 HydrophobicContact CG-CE1 3.64Å; R857-Y863 PolarHBondContact NE-OH 3.39Å; R857-Y863 PolarHBondContact NH2-OH 3.07Å |
| 858 | Q | 69.9 | Low | 76.3 | Confident | 144 Ų | 144 | 82.1 Ų | 82.1 | 67% | 0.673 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -72.3 | -38.2 | 176.7 | -68.1 | 173.6 | 23 | 0 | 0 | 112.2 | E854 S855 | E854-Q858 WeakPolarHBondContact O-CG 3.28Å; E854-Q858 PolarHBondContact O-N 2.86Å; E854-Q858 PolarHBondContact OE1-NE2 3.13Å; S855-Q858 PolarHBondContact O-N 3.29Å; S855-Q858 VanDerWaalsContact O-N 3.09Å |
| 859 | D | 74.5 | Confident | 76 | Confident | 110 Ų | 110 | 81.6 Ų | 81.6 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -84.3 | -10 | 179.8 | -66.7 | -45.5 | 0 | 0 | 0 | 113.9 | S855 Q861 | S855-D859 WeakPolarHBondContact O-CB 3.41Å; S855-D859 PolarHBondContact O-N 3.23Å; S855-D859 VanDerWaalsContact O-OD2 3.09Å; S855-D859 PolarHBondContact OG-OD2 3.42Å; S855-D859 VanDerWaalsContact OG-OD2 3.09Å; D859-Q861 HydrophobicContact CB-CG 4.31Å |
| 860 | G | 65.7 | Low | 76 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 52% | 0.515 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 29.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | H251 C856 | H251-G860 PolarHBondContact CE1-O 2.98Å; C856-G860 CarbonylContact O-C 3.19Å; C856-G860 WeakPolarHBondContact O-CA 3.48Å; C856-G860 PolarHBondContact O-N 3.09Å |
| 861 | Q | 59.3 | Low | 75.7 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | trans | -90.1 | 150.5 | 175.8 | -68.5 | -165.2 | 10.9 | 0 | 0 | 112.3 | C856 D859 Y863 | C856-Q861 HydrophobicContact CB-CB 3.91Å; C856-Q861 PolarHBondContact O-N 3.5Å; D859-Q861 HydrophobicContact CB-CG 4.31Å; Q861-Y863 PolarHBondContact O-N 3.26Å | ||
| 862 | P | 62.1 | Low | 75.6 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 42% | 0.422 | 42% | 0.424 | S | S | . | . | trans | -67.5 | 132.2 | 177.6 | 31.6 | -37 | 0 | 0 | 0 | 110.3 | H251 | H251-P862 HydrophobicContact CB-CB 3.83Å; H251-P862 HydrophobicContact CB-CG 3.46Å; H251-P862 VanDerWaalsContact CB-CG 3.46Å | ||
| 863 | Y | 71.7 | Confident | 75.7 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | trans | -121.7 | 4.6 | -179.4 | 63.7 | -93.1 | 0 | 0 | 0 | 114.2 | M853 R857 Q861 M865 Y866 I867 | M853-Y863 HydrophobicContact CG-CD2 4.4Å; M853-Y863 HydrophobicContact SD-CD2 4.04Å; R857-Y863 HydrophobicContact CG-CD1 4.02Å; R857-Y863 HydrophobicContact CG-CE1 3.64Å; R857-Y863 PolarHBondContact NE-OH 3.39Å; R857-Y863 PolarHBondContact NH2-OH 3.07Å; Q861-Y863 PolarHBondContact O-N 3.26Å; Y863-M865 PolarHBondContact O-N 2.93Å; Y863-M865 VanDerWaalsContact O-N 3.14Å; Y863-Y866 WeakPolarHBondContact O-CA 3.41Å; Y863-Y866 WeakPolarHBondContact O-CB 3.36Å; Y863-Y866 PolarHBondContact O-N 3.46Å; Y863-I867 HydrophobicContact CD2-CD1 4.15Å; Y863-I867 HydrophobicContact CD2-CG1 4.08Å; Y863-I867 HydrophobicContact CE2-CD1 3.99Å; Y863-I867 HydrophobicContact CE2-CG1 4.31Å; Y863-I867 PolarHBondContact O-N 2.77Å | ||
| 864 | D | 73.2 | Confident | 75.8 | Confident | 119 Ų | 119 | 79.7 Ų | 79.7 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -53.2 | -37.8 | -178.3 | -59 | -10.1 | 0 | 0 | 0 | 113.2 | Y866 I867 | D864-Y866 PolarHBondContact O-N 3Å; D864-I867 WeakPolarHBondContact O-CB 3.18Å; D864-I867 PolarHBondContact O-N 3.38Å |
| 865 | M | 73.9 | Confident | 75.8 | Confident | 145 Ų | 145 | 81.9 Ų | 81.9 | 71% | 0.714 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61 | -30.7 | 176.2 | -170.3 | -174 | 74.1 | 0 | 0 | 112.8 | Y863 | Y863-M865 PolarHBondContact O-N 2.93Å; Y863-M865 VanDerWaalsContact O-N 3.14Å |
| 866 | Y | 79 | Confident | 76 | Confident | 48 Ų | 48 | 81.4 Ų | 81.4 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -78.2 | -20.5 | 175.9 | -61.3 | -60.4 | 0 | 0 | 0 | 112.6 | I849 K852 M853 Y863 D864 E869 V870 | I849-Y866 HydrophobicContact CG2-CD1 3.84Å; I849-Y866 HydrophobicContact CG2-CG 4.05Å; K852-Y866 HydrophobicContact CD-CE1 4.46Å; M853-Y866 HydrophobicContact CG-CD2 4.1Å; M853-Y866 HydrophobicContact CG-CG 4.11Å; Y863-Y866 WeakPolarHBondContact O-CA 3.41Å; Y863-Y866 WeakPolarHBondContact O-CB 3.36Å; Y863-Y866 PolarHBondContact O-N 3.46Å; D864-Y866 PolarHBondContact O-N 3Å; Y866-E869 PolarHBondContact O-N 3.18Å; Y866-V870 WeakPolarHBondContact O-CB 3.47Å; Y866-V870 WeakPolarHBondContact O-CG2 3.43Å; Y866-V870 PolarHBondContact O-N 3.47Å |
| 867 | I | 80 | Confident | 76.4 | Confident | 59 Ų | 59 | 82 Ų | 82 | 30% | 0.303 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 179.5 | -56.8 | 178.2 | 0 | 0 | 0 | 110.4 | Y863 D864 V870 N871 | Y863-I867 HydrophobicContact CD2-CD1 4.15Å; Y863-I867 HydrophobicContact CD2-CG1 4.08Å; Y863-I867 HydrophobicContact CE2-CD1 3.99Å; Y863-I867 HydrophobicContact CE2-CG1 4.31Å; Y863-I867 PolarHBondContact O-N 2.77Å; D864-I867 WeakPolarHBondContact O-CB 3.18Å; D864-I867 PolarHBondContact O-N 3.38Å; I867-V870 PolarHBondContact O-N 3.37Å; I867-N871 VanDerWaalsContact O-CG 3.3Å; I867-N871 PolarHBondContact O-N 3.01Å; I867-N871 PolarHBondContact O-ND2 3.3Å |
| 868 | E | 74.5 | Confident | 77 | Confident | 156 Ų | 156 | 81.5 Ų | 81.5 | 73% | 0.729 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 174.2 | -67.9 | -174.7 | 171.3 | 0 | 0 | 111.9 | N871 S872 | E868-N871 PolarHBondContact O-N 3.39Å; E868-S872 WeakPolarHBondContact O-CB 3.47Å; E868-S872 PolarHBondContact O-N 2.87Å |
| 869 | E | 81 | Confident | 77.6 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.9 | -161.5 | 178.8 | -177 | 0 | 0 | 111.4 | R845 I849 Y866 S872 L873 | R845-E869 IonicContact NH2-OE1 2.65Å; R845-E869 PolarHBondContact NH2-OE1 3.16Å; I849-E869 HydrophobicContact CD1-CG 3.84Å; I849-E869 WeakPolarHBondContact CD1-OE1 3.35Å; Y866-E869 PolarHBondContact O-N 3.18Å; E869-S872 PolarHBondContact O-N 2.81Å; E869-L873 HydrophobicContact CG-CD1 4.16Å; E869-L873 VanDerWaalsContact O-CB 3.32Å; E869-L873 WeakPolarHBondContact O-CB 3.3Å; E869-L873 WeakPolarHBondContact O-CG 3.49Å; E869-L873 PolarHBondContact O-N 3.46Å |
| 870 | V | 84.8 | Confident | 78 | Confident | 20 Ų | 20 | 74 Ų | 74 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175 | 161.8 | 0 | 0 | 0 | 0 | 111.9 | L846 I849 M853 Y866 I867 L873 T874 | L846-V870 HydrophobicContact CD1-CB 4.22Å; L846-V870 HydrophobicContact CD1-CG1 4.06Å; L846-V870 HydrophobicContact CD1-CG2 3.98Å; I849-V870 HydrophobicContact CG2-CG2 3.7Å; M853-V870 HydrophobicContact CE-CG2 3.73Å; M853-V870 HydrophobicContact SD-CG2 4.12Å; Y866-V870 WeakPolarHBondContact O-CB 3.47Å; Y866-V870 WeakPolarHBondContact O-CG2 3.43Å; Y866-V870 PolarHBondContact O-N 3.47Å; I867-V870 PolarHBondContact O-N 3.37Å; V870-L873 PolarHBondContact O-N 2.89Å; V870-T874 VanDerWaalsContact O-CB 3.31Å; V870-T874 WeakPolarHBondContact O-CB 3.46Å; V870-T874 PolarHBondContact O-N 3.14Å; V870-T874 PolarHBondContact O-OG1 3.33Å |
| 871 | N | 79.8 | Confident | 79 | Confident | 88 Ų | 88 | 74.2 Ų | 74.2 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 177.7 | -72.5 | -24.6 | 0 | 0 | 0 | 110.9 | I867 E868 L873 T874 E875 | I867-N871 VanDerWaalsContact O-CG 3.3Å; I867-N871 PolarHBondContact O-N 3.01Å; I867-N871 PolarHBondContact O-ND2 3.3Å; E868-N871 PolarHBondContact O-N 3.39Å; N871-L873 PolarHBondContact O-N 3.42Å; N871-T874 WeakPolarHBondContact O-CB 3.36Å; N871-T874 PolarHBondContact O-N 3.16Å; N871-T874 VanDerWaalsContact O-N 3.15Å; N871-E875 PolarHBondContact O-N 3.09Å |
| 872 | S | 82.2 | Confident | 80.2 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 113 | E868 E869 S876 | E868-S872 WeakPolarHBondContact O-CB 3.47Å; E868-S872 PolarHBondContact O-N 2.87Å; E869-S872 PolarHBondContact O-N 2.81Å; S872-S876 WeakPolarHBondContact O-CB 3.42Å; S872-S876 PolarHBondContact O-N 3.23Å; S872-S876 PolarHBondContact O-OG 3.23Å |
| 873 | L | 84 | Confident | 81.3 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 173.6 | -74.5 | 170.9 | 0 | 0 | 0 | 111.9 | L842 L846 I849 E869 V870 N871 S876 I877 | L842-L873 HydrophobicContact CD2-CD2 3.82Å; L846-L873 HydrophobicContact CB-CD1 4.46Å; L846-L873 HydrophobicContact CD1-CB 4.09Å; L846-L873 HydrophobicContact CD1-CD1 4.38Å; I849-L873 HydrophobicContact CD1-CD1 3.38Å; E869-L873 HydrophobicContact CG-CD1 4.16Å; E869-L873 VanDerWaalsContact O-CB 3.32Å; E869-L873 WeakPolarHBondContact O-CB 3.3Å; E869-L873 WeakPolarHBondContact O-CG 3.49Å; E869-L873 PolarHBondContact O-N 3.46Å; V870-L873 PolarHBondContact O-N 2.89Å; N871-L873 PolarHBondContact O-N 3.42Å; L873-S876 WeakPolarHBondContact O-CB 3.06Å; L873-S876 PolarHBondContact O-N 2.93Å; L873-I877 WeakPolarHBondContact O-CB 3.48Å; L873-I877 WeakPolarHBondContact O-CD1 3.23Å; L873-I877 WeakPolarHBondContact O-CG1 2.8Å; L873-I877 PolarHBondContact O-N 3.4Å |
| 874 | T | 84.8 | Confident | 82 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | V870 N871 S876 I877 Q878 | V870-T874 VanDerWaalsContact O-CB 3.31Å; V870-T874 WeakPolarHBondContact O-CB 3.46Å; V870-T874 PolarHBondContact O-N 3.14Å; V870-T874 PolarHBondContact O-OG1 3.33Å; N871-T874 WeakPolarHBondContact O-CB 3.36Å; N871-T874 PolarHBondContact O-N 3.16Å; N871-T874 VanDerWaalsContact O-N 3.15Å; T874-S876 VanDerWaalsContact C-N 3.32Å; T874-S876 PolarHBondContact O-N 2.83Å; T874-I877 PolarHBondContact O-N 3.49Å; T874-Q878 WeakPolarHBondContact O-CG 3.29Å; T874-Q878 PolarHBondContact O-N 3.24Å |
| 875 | E | 80.8 | Confident | 82.6 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.9 | -43.2 | 173.3 | -70.9 | 179.6 | 178 | 0 | 0 | 111.7 | N871 I877 Q878 C879 | N871-E875 PolarHBondContact O-N 3.09Å; E875-I877 PolarHBondContact O-N 3.44Å; E875-Q878 PolarHBondContact O-N 2.85Å; E875-C879 WeakPolarHBondContact O-CB 3.42Å; E875-C879 PolarHBondContact O-N 3.41Å |
| 876 | S | 84.2 | Confident | 83.1 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | S872 L873 T874 C879 Q880 | S872-S876 WeakPolarHBondContact O-CB 3.42Å; S872-S876 PolarHBondContact O-N 3.23Å; S872-S876 PolarHBondContact O-OG 3.23Å; L873-S876 WeakPolarHBondContact O-CB 3.06Å; L873-S876 PolarHBondContact O-N 2.93Å; T874-S876 VanDerWaalsContact C-N 3.32Å; T874-S876 PolarHBondContact O-N 2.83Å; S876-C879 PolarHBondContact O-N 2.81Å; S876-Q880 WeakPolarHBondContact O-CG 3.3Å; S876-Q880 PolarHBondContact O-N 2.98Å |
| 877 | I | 85.5 | Confident | 83.3 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 177.2 | -71.8 | 161.9 | 0 | 0 | 0 | 111.2 | R839 L842 L846 L873 T874 E875 T881 | R839-I877 HydrophobicContact CG-CG2 4.27Å; L842-I877 HydrophobicContact CB-CD1 4.06Å; L842-I877 HydrophobicContact CB-CG1 3.71Å; L842-I877 HydrophobicContact CD1-CG1 4.23Å; L846-I877 HydrophobicContact CB-CD1 4.25Å; L846-I877 HydrophobicContact CD2-CD1 3.81Å; L873-I877 WeakPolarHBondContact O-CB 3.48Å; L873-I877 WeakPolarHBondContact O-CD1 3.23Å; L873-I877 WeakPolarHBondContact O-CG1 2.8Å; L873-I877 PolarHBondContact O-N 3.4Å; T874-I877 PolarHBondContact O-N 3.49Å; E875-I877 PolarHBondContact O-N 3.44Å; I877-T881 VanDerWaalsContact O-CB 3.3Å; I877-T881 WeakPolarHBondContact O-CB 3.23Å; I877-T881 PolarHBondContact O-N 2.89Å; I877-T881 PolarHBondContact O-OG1 2.96Å |
| 878 | Q | 85.4 | Confident | 83.6 | Confident | 132 Ų | 132 | 64.5 Ų | 64.5 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 173.8 | -73.5 | 179.4 | 6.5 | 0 | 0 | 111 | T874 E875 Q880 T881 Q882 | T874-Q878 WeakPolarHBondContact O-CG 3.29Å; T874-Q878 PolarHBondContact O-N 3.24Å; E875-Q878 PolarHBondContact O-N 2.85Å; Q878-Q880 PolarHBondContact O-N 3.47Å; Q878-T881 PolarHBondContact O-N 3.33Å; Q878-T881 VanDerWaalsContact O-N 3.14Å; Q878-Q882 PolarHBondContact O-N 3.24Å |
| 879 | C | 83.3 | Confident | 83.9 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.8 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | E875 S876 T881 Q882 Q883 | E875-C879 WeakPolarHBondContact O-CB 3.42Å; E875-C879 PolarHBondContact O-N 3.41Å; S876-C879 PolarHBondContact O-N 2.81Å; C879-T881 VanDerWaalsContact C-N 3.33Å; C879-T881 PolarHBondContact O-N 2.89Å; C879-Q882 PolarHBondContact O-N 2.63Å; C879-Q883 WeakPolarHBondContact O-CG 3.49Å; C879-Q883 PolarHBondContact O-N 3.28Å; C879-Q883 VanDerWaalsContact O-N 3.12Å |
| 880 | Q | 83.9 | Confident | 83.9 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 175.2 | -74.4 | -167.7 | -17.7 | 0 | 0 | 112.9 | S838 R839 S876 Q878 Q883 I884 | S838-Q880 PolarHBondContact OG-NE2 2.91Å; R839-Q880 VanDerWaalsContact CA-OE1 3.23Å; R839-Q880 VanDerWaalsContact N-OE1 3.17Å; S876-Q880 WeakPolarHBondContact O-CG 3.3Å; S876-Q880 PolarHBondContact O-N 2.98Å; Q878-Q880 PolarHBondContact O-N 3.47Å; Q880-Q883 PolarHBondContact O-N 3.48Å; Q880-I884 WeakPolarHBondContact O-CB 3.41Å; Q880-I884 WeakPolarHBondContact O-CD1 3.39Å; Q880-I884 VanDerWaalsContact O-CG1 3.24Å; Q880-I884 WeakPolarHBondContact O-CG1 2.85Å; Q880-I884 PolarHBondContact O-N 3.44Å |
| 881 | T | 86.4 | Confident | 83.7 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | R839 I877 Q878 C879 I884 S885 | R839-T881 WeakPolarHBondContact CD-OG1 3.46Å; R839-T881 PolarHBondContact NH1-OG1 3.47Å; I877-T881 VanDerWaalsContact O-CB 3.3Å; I877-T881 WeakPolarHBondContact O-CB 3.23Å; I877-T881 PolarHBondContact O-N 2.89Å; I877-T881 PolarHBondContact O-OG1 2.96Å; Q878-T881 PolarHBondContact O-N 3.33Å; Q878-T881 VanDerWaalsContact O-N 3.14Å; C879-T881 VanDerWaalsContact C-N 3.33Å; C879-T881 PolarHBondContact O-N 2.89Å; T881-I884 PolarHBondContact O-N 3.21Å; T881-S885 PolarHBondContact O-N 2.71Å; T881-S885 VanDerWaalsContact O-N 3.08Å |
| 882 | Q | 84.6 | Confident | 83.6 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 172.1 | -176.1 | 60.5 | 48.4 | 0 | 0 | 111.4 | Q878 C879 I884 S885 D886 | Q878-Q882 PolarHBondContact O-N 3.24Å; C879-Q882 PolarHBondContact O-N 2.63Å; Q882-I884 VanDerWaalsContact C-N 3.32Å; Q882-I884 PolarHBondContact O-N 3.46Å; Q882-S885 WeakPolarHBondContact O-CB 3.48Å; Q882-S885 PolarHBondContact O-N 3.12Å; Q882-S885 VanDerWaalsContact O-N 3.1Å; Q882-D886 PolarHBondContact NE2-OD1 3.07Å; Q882-D886 PolarHBondContact NE2-OD2 2.95Å; Q882-D886 VanDerWaalsContact O-CG 3.3Å; Q882-D886 PolarHBondContact O-N 2.86Å |
| 883 | Q | 85 | Confident | 83.3 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 178.3 | -69.9 | 173.3 | 2.6 | 0 | 0 | 112.6 | C879 Q880 D886 L887 | C879-Q883 WeakPolarHBondContact O-CG 3.49Å; C879-Q883 PolarHBondContact O-N 3.28Å; C879-Q883 VanDerWaalsContact O-N 3.12Å; Q880-Q883 PolarHBondContact O-N 3.48Å; Q883-D886 PolarHBondContact O-N 3.39Å; Q883-L887 VanDerWaalsContact O-CG 3.28Å; Q883-L887 WeakPolarHBondContact O-CG 3.42Å; Q883-L887 PolarHBondContact O-N 3.46Å |
| 884 | I | 85.9 | Confident | 82.8 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 174 | -75.1 | 164.8 | 0 | 0 | 0 | 110.7 | L832 F835 M836 R839 Q880 T881 Q882 D886 L887 Q888 | L832-I884 HydrophobicContact CD1-CB 4.31Å; L832-I884 HydrophobicContact CD1-CG1 4.26Å; L832-I884 HydrophobicContact CD1-CG2 3.89Å; F835-I884 HydrophobicContact CB-CD1 4.16Å; F835-I884 HydrophobicContact CB-CG1 3.78Å; M836-I884 HydrophobicContact CG-CD1 4.35Å; R839-I884 HydrophobicContact CB-CD1 4.24Å; Q880-I884 WeakPolarHBondContact O-CB 3.41Å; Q880-I884 WeakPolarHBondContact O-CD1 3.39Å; Q880-I884 VanDerWaalsContact O-CG1 3.24Å; Q880-I884 WeakPolarHBondContact O-CG1 2.85Å; Q880-I884 PolarHBondContact O-N 3.44Å; T881-I884 PolarHBondContact O-N 3.21Å; Q882-I884 VanDerWaalsContact C-N 3.32Å; Q882-I884 PolarHBondContact O-N 3.46Å; I884-D886 PolarHBondContact O-N 3.49Å; I884-L887 PolarHBondContact O-N 3.38Å; I884-Q888 HydrophobicContact CG2-CG 4.48Å; I884-Q888 WeakPolarHBondContact O-CB 3.35Å; I884-Q888 VanDerWaalsContact O-CG 3.28Å; I884-Q888 WeakPolarHBondContact O-CG 3.46Å; I884-Q888 PolarHBondContact O-N 3.36Å |
| 885 | S | 85.6 | Confident | 82 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 43% | 0.427 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 112 | T881 Q882 Q888 Q889 | T881-S885 PolarHBondContact O-N 2.71Å; T881-S885 VanDerWaalsContact O-N 3.08Å; Q882-S885 WeakPolarHBondContact O-CB 3.48Å; Q882-S885 PolarHBondContact O-N 3.12Å; Q882-S885 VanDerWaalsContact O-N 3.1Å; S885-Q888 PolarHBondContact O-N 3.34Å; S885-Q889 PolarHBondContact O-N 3.13Å |
| 886 | D | 84.2 | Confident | 81.1 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | -179.1 | -63.8 | -26.5 | 0 | 0 | 0 | 112.1 | Q882 Q883 I884 K890 | Q882-D886 PolarHBondContact NE2-OD1 3.07Å; Q882-D886 PolarHBondContact NE2-OD2 2.95Å; Q882-D886 VanDerWaalsContact O-CG 3.3Å; Q882-D886 PolarHBondContact O-N 2.86Å; Q883-D886 PolarHBondContact O-N 3.39Å; I884-D886 PolarHBondContact O-N 3.49Å; D886-K890 WeakPolarHBondContact O-CG 3.44Å; D886-K890 PolarHBondContact O-N 2.84Å |
| 887 | L | 84.2 | Confident | 79.5 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 175 | -66.9 | 169.9 | 0 | 0 | 0 | 111.9 | E775 V828 L832 F835 Q883 I884 K890 L891 | E775-L887 HydrophobicContact CB-CD2 4.19Å; E775-L887 HydrophobicContact CG-CD2 3.99Å; V828-L887 HydrophobicContact CG1-CB 4.24Å; V828-L887 HydrophobicContact CG1-CD2 3.95Å; V828-L887 HydrophobicContact CG2-CD2 4.49Å; L832-L887 HydrophobicContact CD1-CB 4.38Å; F835-L887 HydrophobicContact CD2-CD1 3.6Å; F835-L887 HydrophobicContact CE2-CD1 3.83Å; Q883-L887 VanDerWaalsContact O-CG 3.28Å; Q883-L887 WeakPolarHBondContact O-CG 3.42Å; Q883-L887 PolarHBondContact O-N 3.46Å; I884-L887 PolarHBondContact O-N 3.38Å; L887-K890 PolarHBondContact O-N 3.37Å; L887-L891 PolarHBondContact O-N 3.44Å |
| 888 | Q | 85.5 | Confident | 77.6 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 175.8 | -76.3 | 175.6 | -26.2 | 0 | 0 | 111.9 | L832 I884 S885 K890 L891 M892 | L832-Q888 HydrophobicContact CD1-CG 3.98Å; L832-Q888 HydrophobicContact CD2-CG 3.97Å; I884-Q888 HydrophobicContact CG2-CG 4.48Å; I884-Q888 WeakPolarHBondContact O-CB 3.35Å; I884-Q888 VanDerWaalsContact O-CG 3.28Å; I884-Q888 WeakPolarHBondContact O-CG 3.46Å; I884-Q888 PolarHBondContact O-N 3.36Å; S885-Q888 PolarHBondContact O-N 3.34Å; Q888-K890 VanDerWaalsContact C-N 3.27Å; Q888-K890 PolarHBondContact O-N 2.79Å; Q888-L891 PolarHBondContact O-N 3.04Å; Q888-M892 PolarHBondContact O-N 2.88Å |
| 889 | Q | 81.6 | Confident | 75.5 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 174.6 | 179.9 | 61.3 | 49.9 | 0 | 0 | 111.5 | S885 M892 D893 | S885-Q889 PolarHBondContact O-N 3.13Å; Q889-M892 WeakPolarHBondContact O-CB 3.04Å; Q889-M892 PolarHBondContact O-N 3.14Å; Q889-M892 VanDerWaalsContact OE1-CE 3.24Å; Q889-D893 PolarHBondContact NE2-OD1 3.16Å; Q889-D893 VanDerWaalsContact O-CG 3.25Å; Q889-D893 PolarHBondContact O-N 3.35Å |
| 890 | K | 80.9 | Confident | 73.4 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -73.8 | -29.8 | -178.7 | -75.3 | -179.1 | 171.8 | -170.3 | 0 | 114.7 | E775 L778 D886 L887 Q888 A894 | E775-K890 HydrophobicContact CG-CD 3.58Å; E775-K890 WeakPolarHBondContact OE1-CE 3.22Å; E775-K890 IonicContact OE1-NZ 2.66Å; E775-K890 PolarHBondContact OE1-NZ 3.39Å; L778-K890 HydrophobicContact CD2-CB 4.38Å; D886-K890 WeakPolarHBondContact O-CG 3.44Å; D886-K890 PolarHBondContact O-N 2.84Å; L887-K890 PolarHBondContact O-N 3.37Å; Q888-K890 VanDerWaalsContact C-N 3.27Å; Q888-K890 PolarHBondContact O-N 2.79Å; K890-A894 WeakPolarHBondContact O-CB 3.46Å; K890-A894 PolarHBondContact O-N 2.97Å; K890-A894 VanDerWaalsContact O-N 3.11Å |
| 891 | L | 80.6 | Confident | 70.9 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 168.5 | -73.6 | 174.9 | 0 | 0 | 0 | 110.9 | M825 V828 R829 L832 L887 Q888 A894 G895 E896 | M825-L891 HydrophobicContact CB-CD2 4.19Å; M825-L891 HydrophobicContact CE-CD2 4.45Å; M825-L891 HydrophobicContact CG-CD2 4.37Å; V828-L891 HydrophobicContact CB-CD2 4.14Å; V828-L891 HydrophobicContact CG1-CD1 4.04Å; V828-L891 HydrophobicContact CG1-CD2 3.72Å; V828-L891 HydrophobicContact CG1-CG 3.67Å; R829-L891 HydrophobicContact CG-CD1 3.99Å; R829-L891 HydrophobicContact CG-CD2 4.15Å; L832-L891 HydrophobicContact CD2-CD1 3.76Å; L887-L891 PolarHBondContact O-N 3.44Å; Q888-L891 PolarHBondContact O-N 3.04Å; L891-A894 WeakPolarHBondContact O-CB 3.49Å; L891-A894 PolarHBondContact O-N 2.92Å; L891-A894 VanDerWaalsContact O-N 3.12Å; L891-G895 PolarHBondContact O-N 3.35Å; L891-E896 HydrophobicContact CB-CB 4.4Å; L891-E896 WeakPolarHBondContact CB-OE2 3.46Å; L891-E896 VanDerWaalsContact O-CB 3.24Å; L891-E896 WeakPolarHBondContact O-CB 3.43Å; L891-E896 PolarHBondContact O-N 3.18Å; L891-E896 VanDerWaalsContact O-N 3.14Å |
| 892 | M | 77.4 | Confident | 68.8 | Low | 92 Ų | 92 | 76.5 Ų | 76.5 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.2 | 179.5 | 167.4 | 49.6 | 0 | 0 | 112.3 | Q888 Q889 A894 G895 E896 | Q888-M892 PolarHBondContact O-N 2.88Å; Q889-M892 WeakPolarHBondContact O-CB 3.04Å; Q889-M892 PolarHBondContact O-N 3.14Å; Q889-M892 VanDerWaalsContact OE1-CE 3.24Å; M892-A894 PolarHBondContact O-N 3.08Å; M892-G895 PolarHBondContact O-N 2.93Å; M892-E896 WeakPolarHBondContact CA-O 3.37Å |
| 893 | D | 75.6 | Confident | 66.6 | Low | 100 Ų | 100 | 76.6 Ų | 76.6 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | 173 | -68.7 | -13.3 | 0 | 0 | 0 | 112.4 | L782 Q889 G895 | L782-D893 HydrophobicContact CD1-CB 4.48Å; Q889-D893 PolarHBondContact NE2-OD1 3.16Å; Q889-D893 VanDerWaalsContact O-CG 3.25Å; Q889-D893 PolarHBondContact O-N 3.35Å; D893-G895 PolarHBondContact O-N 3.3Å |
| 894 | A | 73.6 | Confident | 64 | Low | 11 Ų | 11 | 76.7 Ų | 76.7 | 9% | 0.091 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -1.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L778 L782 M825 K890 L891 M892 | L778-A894 HydrophobicContact CD1-CB 4.31Å; L782-A894 HydrophobicContact CD1-CB 3.93Å; L782-A894 HydrophobicContact CD2-CB 3.92Å; L782-A894 HydrophobicContact CG-CB 4.47Å; M825-A894 HydrophobicContact CE-CB 3.85Å; M825-A894 HydrophobicContact CG-CB 4.03Å; M825-A894 HydrophobicContact SD-CB 3.82Å; K890-A894 WeakPolarHBondContact O-CB 3.46Å; K890-A894 PolarHBondContact O-N 2.97Å; K890-A894 VanDerWaalsContact O-N 3.11Å; L891-A894 WeakPolarHBondContact O-CB 3.49Å; L891-A894 PolarHBondContact O-N 2.92Å; L891-A894 VanDerWaalsContact O-N 3.12Å; M892-A894 PolarHBondContact O-N 3.08Å |
| 895 | G | 67.7 | Low | 61.6 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 6.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L891 M892 D893 R897 | L891-G895 PolarHBondContact O-N 3.35Å; M892-G895 PolarHBondContact O-N 2.93Å; D893-G895 PolarHBondContact O-N 3.3Å; G895-R897 PolarHBondContact O-N 3.18Å; G895-R897 VanDerWaalsContact O-N 3.09Å |
| 896 | E | 61.9 | Low | 59.8 | Low | 59 Ų | 59 | 83 Ų | 83 | 28% | 0.276 | 49% | 0.493 | S | S | . | . | trans | -73.7 | 97.1 | 171.3 | -166.9 | 152.1 | -132.2 | 0 | 0 | 109.3 | M825 R829 L891 M892 S898 | M825-E896 HydrophobicContact CE-CB 4.14Å; R829-E896 IonicContact CZ-OE1 2.77Å; R829-E896 IonicContact CZ-OE2 2.69Å; R829-E896 IonicContact NE-OE1 2.96Å; R829-E896 PolarHBondContact NE-OE1 3.45Å; R829-E896 VanDerWaalsContact NE-OE1 3.13Å; R829-E896 IonicContact NE-OE2 2.64Å; R829-E896 PolarHBondContact NE-OE2 3.22Å; R829-E896 VanDerWaalsContact NH2-CD 3.31Å; R829-E896 IonicContact NH2-OE1 3.69Å; R829-E896 PolarHBondContact NH2-OE1 2.96Å; R829-E896 IonicContact NH2-OE2 2.61Å; R829-E896 PolarHBondContact NH2-OE2 3.08Å; L891-E896 HydrophobicContact CB-CB 4.4Å; L891-E896 WeakPolarHBondContact CB-OE2 3.46Å; L891-E896 VanDerWaalsContact O-CB 3.24Å; L891-E896 WeakPolarHBondContact O-CB 3.43Å; L891-E896 PolarHBondContact O-N 3.18Å; L891-E896 VanDerWaalsContact O-N 3.14Å; M892-E896 WeakPolarHBondContact CA-O 3.37Å; E896-S898 PolarHBondContact O-N 3.06Å | ||
| 897 | R | 51.5 | Low | 57.9 | Low | 231 Ų | 231 | 85.5 Ų | 85.5 | 87% | 0.872 | 51% | 0.507 | S | S | * | . | trans | -62.8 | 125 | 173.1 | -70.8 | -173.4 | 177.1 | -149.9 | -1.2 | 108.5 | G895 S899 | G895-R897 PolarHBondContact O-N 3.18Å; G895-R897 VanDerWaalsContact O-N 3.09Å; R897-S899 PolarHBondContact O-N 3.1Å | ||
| 898 | S | 44.1 | Very low | 56.3 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 63% | 0.629 | 53% | 0.534 | S | S | * | . | trans | -46.1 | 96 | 178 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | E896 T900 | E896-S898 PolarHBondContact O-N 3.06Å; S898-T900 VanDerWaalsContact C-N 3.33Å; S898-T900 PolarHBondContact O-N 2.83Å; S898-T900 VanDerWaalsContact O-N 3.12Å | ||
| 899 | S | 42.9 | Very low | 54.6 | Low | 92 Ų | 92 | 88.1 Ų | 88.1 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | trans | -80.7 | 83.2 | 169.3 | 55.3 | 0 | 0 | 0 | 0 | 108.5 | R897 D901 | R897-S899 PolarHBondContact O-N 3.1Å; S899-D901 PolarHBondContact O-N 3.34Å | ||
| 900 | T | 38.3 | Very low | 53.1 | Low | 119 Ų | 119 | 85.7 Ų | 85.7 | 73% | 0.73 | 53% | 0.533 | S | S | * | . | trans | -66.5 | -14.7 | 167.5 | 39.8 | 0 | 0 | 0 | 0 | 112.4 | S898 A902 | S898-T900 VanDerWaalsContact C-N 3.33Å; S898-T900 PolarHBondContact O-N 2.83Å; S898-T900 VanDerWaalsContact O-N 3.12Å; T900-A902 PolarHBondContact O-N 2.82Å | ||
| 901 | D | 32.3 | Very low | 51.9 | Low | 117 Ų | 117 | 91.1 Ų | 91.1 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | trans | -92.5 | 84.9 | 176 | -58.4 | -24 | 0 | 0 | 0 | 110.5 | S899 S903 G904 | S899-D901 PolarHBondContact O-N 3.34Å; D901-S903 PolarHBondContact O-N 3.26Å; D901-G904 PolarHBondContact O-N 3.35Å | ||
| 902 | A | 41.5 | Very low | 50.9 | Low | 110 Ų | 110 | 92.7 Ų | 92.7 | 91% | 0.909 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 1.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T900 | T900-A902 PolarHBondContact O-N 2.82Š|
| 903 | S | 38.7 | Very low | 50.2 | Low | 114 Ų | 114 | 92.5 Ų | 92.5 | 80% | 0.797 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 4 | 176.7 | 50.6 | 0 | 0 | 0 | 0 | 113.9 | D901 | D901-S903 PolarHBondContact O-N 3.26Š|
| 904 | G | 30.9 | Very low | 49.8 | Very low | 48 Ų | 48 | 91.4 Ų | 91.4 | 50% | 0.495 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -81 | 137.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D901 | D901-G904 PolarHBondContact O-N 3.35Š|
| 905 | P | 35.8 | Very low | 49.5 | Very low | 99 Ų | 99 | 94 Ų | 94 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | trans | -66.9 | 160.3 | 176.8 | 28.1 | -34.5 | 0 | 0 | 0 | 112.6 | D907 | P905-D907 PolarHBondContact O-N 2.98Š| ||
| 906 | P | 46.3 | Very low | 49.7 | Very low | 107 Ų | 107 | 92.7 Ų | 92.7 | 70% | 0.695 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 32.6 | -163.8 | 31.2 | -37.9 | 0 | 0 | 0 | 116.7 | S908 | P906-S908 VanDerWaalsContact C-N 3.34Å; P906-S908 PolarHBondContact O-N 2.86Å |
| 907 | D | 43.8 | Very low | 50.2 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78.5 | -11.9 | -179.5 | -79.1 | -29.1 | 0 | 0 | 0 | 114.3 | P905 T909 G910 Q911 | P905-D907 PolarHBondContact O-N 2.98Å; D907-T909 VanDerWaalsContact C-N 3.31Å; D907-T909 PolarHBondContact O-N 3.35Å; D907-G910 PolarHBondContact O-N 3.12Å; D907-G910 VanDerWaalsContact O-N 3.16Å; D907-Q911 PolarHBondContact O-N 3.45Å; D907-Q911 VanDerWaalsContact O-N 3.1Å |
| 908 | S | 50.4 | Low | 51.2 | Low | 88 Ų | 88 | 88.3 Ų | 88.3 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.5 | -38.7 | 176.8 | 71.1 | 0 | 0 | 0 | 0 | 112 | P906 G910 Q911 M912 | P906-S908 VanDerWaalsContact C-N 3.34Å; P906-S908 PolarHBondContact O-N 2.86Å; S908-G910 VanDerWaalsContact C-N 3.32Å; S908-G910 PolarHBondContact O-N 3.37Å; S908-Q911 PolarHBondContact O-N 2.86Å; S908-M912 PolarHBondContact O-N 2.92Å |
| 909 | T | 51.1 | Low | 52.6 | Low | 73 Ų | 73 | 87.6 Ų | 87.6 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -39.7 | 175.3 | -32 | 0 | 0 | 0 | 0 | 110.7 | D907 M912 L913 | D907-T909 VanDerWaalsContact C-N 3.31Å; D907-T909 PolarHBondContact O-N 3.35Å; T909-M912 PolarHBondContact O-N 3.47Å; T909-L913 HydrophobicContact CG2-CD1 4.18Å; T909-L913 WeakPolarHBondContact O-CB 3.43Å; T909-L913 VanDerWaalsContact O-CG 3.26Å; T909-L913 WeakPolarHBondContact O-CG 3.43Å; T909-L913 PolarHBondContact O-N 3.36Å |
| 910 | G | 50.2 | Low | 54.3 | Low | 40 Ų | 40 | 84.9 Ų | 84.9 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D907 S908 S914 | D907-G910 PolarHBondContact O-N 3.12Å; D907-G910 VanDerWaalsContact O-N 3.16Å; S908-G910 VanDerWaalsContact C-N 3.32Å; S908-G910 PolarHBondContact O-N 3.37Å; G910-S914 VanDerWaalsContact O-CB 3.28Å; G910-S914 WeakPolarHBondContact O-CB 3.24Å; G910-S914 PolarHBondContact O-N 3Å |
| 911 | Q | 55.4 | Low | 56.2 | Low | 150 Ų | 150 | 85.2 Ų | 85.2 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 176.3 | -67.4 | -173 | 14.7 | 0 | 0 | 112.2 | D907 S908 S914 S915 | D907-Q911 PolarHBondContact O-N 3.45Å; D907-Q911 VanDerWaalsContact O-N 3.1Å; S908-Q911 PolarHBondContact O-N 2.86Å; Q911-S914 PolarHBondContact O-N 3.45Å; Q911-S915 PolarHBondContact O-N 3.14Å |
| 912 | M | 59.1 | Low | 58.5 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 20% | 0.202 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 178.3 | -165.5 | 177.4 | 63.9 | 0 | 0 | 111.3 | S908 T909 S914 S915 R916 | S908-M912 PolarHBondContact O-N 2.92Å; T909-M912 PolarHBondContact O-N 3.47Å; M912-S914 PolarHBondContact O-N 3.08Å; M912-S915 PolarHBondContact O-N 3.11Å; M912-S915 PolarHBondContact O-OG 3.24Å; M912-R916 VanDerWaalsContact CE-NH2 3.26Å; M912-R916 WeakPolarHBondContact O-CG 3.47Å; M912-R916 PolarHBondContact O-N 3.38Å; M912-R916 VanDerWaalsContact O-N 3.09Å; M912-R916 PolarHBondContact SD-NH2 3.01Å |
| 913 | L | 63.9 | Low | 60.5 | Low | 88 Ų | 88 | 84 Ų | 84 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 173.8 | -74.2 | 169.2 | 0 | 0 | 0 | 111.9 | T909 S915 R916 L917 | T909-L913 HydrophobicContact CG2-CD1 4.18Å; T909-L913 WeakPolarHBondContact O-CB 3.43Å; T909-L913 VanDerWaalsContact O-CG 3.26Å; T909-L913 WeakPolarHBondContact O-CG 3.43Å; T909-L913 PolarHBondContact O-N 3.36Å; L913-S915 PolarHBondContact O-N 3.1Å; L913-R916 PolarHBondContact O-N 3.45Å; L913-R916 VanDerWaalsContact O-N 3.13Å; L913-L917 WeakPolarHBondContact O-CB 3.26Å; L913-L917 VanDerWaalsContact O-CG 3.31Å; L913-L917 WeakPolarHBondContact O-CG 3.18Å; L913-L917 PolarHBondContact O-N 3.07Å |
| 914 | S | 66.2 | Low | 62.6 | Low | 78 Ų | 78 | 84.1 Ų | 84.1 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | G910 Q911 M912 R916 L917 S918 | G910-S914 VanDerWaalsContact O-CB 3.28Å; G910-S914 WeakPolarHBondContact O-CB 3.24Å; G910-S914 PolarHBondContact O-N 3Å; Q911-S914 PolarHBondContact O-N 3.45Å; M912-S914 PolarHBondContact O-N 3.08Å; S914-R916 VanDerWaalsContact C-N 3.26Å; S914-R916 PolarHBondContact O-N 3.12Å; S914-L917 PolarHBondContact O-N 2.81Å; S914-S918 PolarHBondContact O-N 3.23Å |
| 915 | S | 67.9 | Low | 65.1 | Low | 64 Ų | 64 | 82.1 Ų | 82.1 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.5 | -24.9 | 176.6 | 80.4 | 0 | 0 | 0 | 0 | 114.4 | Q911 M912 L913 S918 | Q911-S915 PolarHBondContact O-N 3.14Å; M912-S915 PolarHBondContact O-N 3.11Å; M912-S915 PolarHBondContact O-OG 3.24Å; L913-S915 PolarHBondContact O-N 3.1Å; S915-S918 PolarHBondContact O-OG 3.42Å |
| 916 | R | 71.4 | Confident | 67.5 | Low | 22 Ų | 22 | 78.8 Ų | 78.8 | 8% | 0.083 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -84.7 | -41.2 | 176.4 | -69.1 | 175.3 | -176.2 | -160 | 7.6 | 111.2 | D818 Q822 M912 L913 S914 S918 Q919 | D818-R916 IonicContact OD1-CZ 3.9Å; D818-R916 IonicContact OD1-NE 3.46Å; D818-R916 IonicContact OD1-NH1 2.7Å; D818-R916 PolarHBondContact OD1-NH1 3.42Å; D818-R916 VanDerWaalsContact OD1-NH1 3.1Å; D818-R916 WeakPolarHBondContact OD2-CD 3.42Å; D818-R916 IonicContact OD2-CZ 3.51Å; D818-R916 IonicContact OD2-NE 3.69Å; D818-R916 IonicContact OD2-NH1 3.1Å; D818-R916 PolarHBondContact OD2-NH1 3.08Å; Q822-R916 VanDerWaalsContact NE2-NH1 3.16Å; M912-R916 VanDerWaalsContact CE-NH2 3.26Å; M912-R916 WeakPolarHBondContact O-CG 3.47Å; M912-R916 PolarHBondContact O-N 3.38Å; M912-R916 VanDerWaalsContact O-N 3.09Å; M912-R916 PolarHBondContact SD-NH2 3.01Å; L913-R916 PolarHBondContact O-N 3.45Å; L913-R916 VanDerWaalsContact O-N 3.13Å; S914-R916 VanDerWaalsContact C-N 3.26Å; S914-R916 PolarHBondContact O-N 3.12Å; R916-S918 VanDerWaalsContact C-N 3.28Å; R916-S918 PolarHBondContact O-N 2.84Å; R916-Q919 VanDerWaalsContact O-CB 3.27Å; R916-Q919 WeakPolarHBondContact O-CB 3.32Å; R916-Q919 WeakPolarHBondContact O-CG 3.28Å; R916-Q919 PolarHBondContact O-N 2.69Å; R916-Q919 VanDerWaalsContact O-N 3.09Å |
| 917 | L | 71.8 | Confident | 69.4 | Low | 109 Ų | 109 | 81.6 Ų | 81.6 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.2 | -31.4 | 174.7 | -70.5 | 171 | 0 | 0 | 0 | 112.2 | L913 S914 Q919 L920 | L913-L917 WeakPolarHBondContact O-CB 3.26Å; L913-L917 VanDerWaalsContact O-CG 3.31Å; L913-L917 WeakPolarHBondContact O-CG 3.18Å; L913-L917 PolarHBondContact O-N 3.07Å; S914-L917 PolarHBondContact O-N 2.81Å; L917-Q919 PolarHBondContact O-N 2.98Å; L917-Q919 VanDerWaalsContact O-N 3.13Å; L917-L920 HydrophobicContact CD2-CD1 4.09Å; L917-L920 WeakPolarHBondContact O-CB 3.48Å; L917-L920 PolarHBondContact O-N 3.36Å |
| 918 | S | 72.6 | Confident | 71.5 | Confident | 89 Ų | 89 | 78 Ų | 78 | 62% | 0.622 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.3 | 173.2 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | S914 S915 R916 L920 | S914-S918 PolarHBondContact O-N 3.23Å; S915-S918 PolarHBondContact O-OG 3.42Å; R916-S918 VanDerWaalsContact C-N 3.28Å; R916-S918 PolarHBondContact O-N 2.84Å; S918-L920 PolarHBondContact O-N 3.3Å |
| 919 | Q | 74.6 | Confident | 73.2 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.4 | 172.8 | -54.2 | -177.8 | 20.6 | 0 | 0 | 113.2 | W814 R916 L917 H921 | W814-Q919 HydrophobicContact CZ2-CB 3.93Å; W814-Q919 HydrophobicContact CZ2-CG 4.46Å; R916-Q919 VanDerWaalsContact O-CB 3.27Å; R916-Q919 WeakPolarHBondContact O-CB 3.32Å; R916-Q919 WeakPolarHBondContact O-CG 3.28Å; R916-Q919 PolarHBondContact O-N 2.69Å; R916-Q919 VanDerWaalsContact O-N 3.09Å; L917-Q919 PolarHBondContact O-N 2.98Å; L917-Q919 VanDerWaalsContact O-N 3.13Å; Q919-H921 PolarHBondContact O-CE1 2.98Å; Q919-H921 PolarHBondContact O-ND1 2.85Å |
| 920 | L | 78.8 | Confident | 74.9 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 18% | 0.178 | 41% | 0.406 | C | S | . | . | trans | -88.7 | 114.2 | 173.3 | -64 | 167.9 | 0 | 0 | 0 | 109.4 | W814 L917 S918 E925 A926 A929 | W814-L920 HydrophobicContact CE3-CD2 4.31Å; W814-L920 HydrophobicContact CH2-CD2 4.33Å; W814-L920 HydrophobicContact CH2-CG 4.21Å; W814-L920 HydrophobicContact CZ3-CD1 4.45Å; W814-L920 HydrophobicContact CZ3-CD2 3.73Å; W814-L920 HydrophobicContact CZ3-CG 4.07Å; L917-L920 HydrophobicContact CD2-CD1 4.09Å; L917-L920 WeakPolarHBondContact O-CB 3.48Å; L917-L920 PolarHBondContact O-N 3.36Å; S918-L920 PolarHBondContact O-N 3.3Å; L920-E925 HydrophobicContact CD2-CB 3.86Å; L920-A926 HydrophobicContact CD1-CB 4.42Å; L920-A929 HydrophobicContact CD1-CB 4.46Å; L920-A929 HydrophobicContact CD2-CB 4.45Å | ||
| 921 | H | 77.5 | Confident | 76.8 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | trans | -87.1 | -16.9 | -167.1 | -64.9 | 51.1 | 0 | 0 | 0 | 112.8 | R792 Q919 E925 | R792-H921 PolarHBondContact NH2-CE1 3.02Å; R792-H921 PolarHBondContact NH2-NE2 3.26Å; Q919-H921 PolarHBondContact O-CE1 2.98Å; Q919-H921 PolarHBondContact O-ND1 2.85Å; H921-E925 PolarHBondContact N-OE2 3.4Å; H921-E925 IonicContact ND1-OE2 3.34Å | ||
| 922 | N | 80.7 | Confident | 78.4 | Confident | 68 Ų | 68 | 76.4 Ų | 76.4 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -154.4 | 163.6 | -177.8 | 65.7 | 70.8 | 0 | 0 | 0 | 112.8 | Q924 E925 A926 | N922-Q924 PolarHBondContact O-N 3.32Å; N922-Q924 WeakPolarHBondContact OD1-CA 3.49Å; N922-Q924 VanDerWaalsContact OD1-CB 3.26Å; N922-Q924 WeakPolarHBondContact OD1-CB 2.89Å; N922-Q924 PolarHBondContact OD1-N 2.83Å; N922-E925 PolarHBondContact O-N 3.41Å; N922-E925 PolarHBondContact OD1-N 3.22Å; N922-A926 PolarHBondContact O-N 2.89Å |
| 923 | I | 82.3 | Confident | 79.9 | Confident | 132 Ų | 132 | 78 Ų | 78 | 68% | 0.677 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.3 | -20 | -178.7 | -161.7 | 166.3 | 0 | 0 | 0 | 114 | R927 | I923-R927 WeakPolarHBondContact O-CB 3.45Å; I923-R927 WeakPolarHBondContact O-CG 3.24Å; I923-R927 PolarHBondContact O-N 3.04Å |
| 924 | Q | 83.6 | Confident | 81.2 | Confident | 117 Ų | 117 | 81.6 Ų | 81.6 | 55% | 0.547 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -75.4 | -42.3 | 175.7 | -56.3 | -175.4 | -0.9 | 0 | 0 | 111 | N922 R927 I928 | N922-Q924 PolarHBondContact O-N 3.32Å; N922-Q924 WeakPolarHBondContact OD1-CA 3.49Å; N922-Q924 VanDerWaalsContact OD1-CB 3.26Å; N922-Q924 WeakPolarHBondContact OD1-CB 2.89Å; N922-Q924 PolarHBondContact OD1-N 2.83Å; Q924-R927 PolarHBondContact O-N 3.49Å; Q924-I928 WeakPolarHBondContact O-CD1 3.39Å; Q924-I928 VanDerWaalsContact O-CG1 3.27Å; Q924-I928 WeakPolarHBondContact O-CG1 3.43Å; Q924-I928 PolarHBondContact O-N 3.32Å |
| 925 | E | 84.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 86.7 Ų | 86.7 | 3% | 0.028 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 172 | -64.6 | -174.7 | 150.6 | 0 | 0 | 110.7 | L807 R810 V811 L920 H921 N922 R927 I928 A929 | L807-E925 HydrophobicContact CD1-CG 3.9Å; R810-E925 IonicContact CZ-OE1 2.73Å; R810-E925 IonicContact NH1-OE1 2.8Å; R810-E925 PolarHBondContact NH1-OE1 3.16Å; R810-E925 IonicContact NH2-OE1 3.2Å; R810-E925 PolarHBondContact NH2-OE1 3.43Å; V811-E925 HydrophobicContact CG2-CB 3.94Å; V811-E925 HydrophobicContact CG2-CG 3.77Å; L920-E925 HydrophobicContact CD2-CB 3.86Å; H921-E925 PolarHBondContact N-OE2 3.4Å; H921-E925 IonicContact ND1-OE2 3.34Å; N922-E925 PolarHBondContact O-N 3.41Å; N922-E925 PolarHBondContact OD1-N 3.22Å; E925-R927 PolarHBondContact O-N 2.95Å; E925-I928 PolarHBondContact O-N 3.02Å; E925-I928 VanDerWaalsContact O-N 3.12Å; E925-A929 WeakPolarHBondContact O-CB 3.26Å; E925-A929 PolarHBondContact O-N 3.19Å |
| 926 | A | 85.1 | Confident | 83.3 | Confident | 29 Ų | 29 | 86.9 Ų | 86.9 | 24% | 0.24 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L920 N922 I928 A929 L930 | L920-A926 HydrophobicContact CD1-CB 4.42Å; N922-A926 PolarHBondContact O-N 2.89Å; A926-I928 VanDerWaalsContact C-N 3.32Å; A926-I928 PolarHBondContact O-N 3.07Å; A926-A929 PolarHBondContact O-N 2.85Å; A926-L930 WeakPolarHBondContact O-CB 3.28Å; A926-L930 WeakPolarHBondContact O-CG 3.42Å; A926-L930 PolarHBondContact O-N 3.31Å |
| 927 | R | 86.8 | Confident | 84.1 | Confident | 167 Ų | 167 | 88.8 Ų | 88.8 | 63% | 0.63 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65 | -31.8 | 176 | -75 | 175.7 | 76.9 | -172.1 | 6.5 | 113.2 | I923 Q924 E925 K931 | I923-R927 WeakPolarHBondContact O-CB 3.45Å; I923-R927 WeakPolarHBondContact O-CG 3.24Å; I923-R927 PolarHBondContact O-N 3.04Å; Q924-R927 PolarHBondContact O-N 3.49Å; E925-R927 PolarHBondContact O-N 2.95Å; R927-K931 WeakPolarHBondContact O-CB 3.28Å; R927-K931 WeakPolarHBondContact O-CG 3.36Å; R927-K931 PolarHBondContact O-N 2.81Å |
| 928 | I | 87 | Confident | 85.1 | Confident | 42 Ų | 42 | 86.4 Ų | 86.4 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -73.4 | -44.6 | 175.4 | -67.9 | 161.8 | 0 | 0 | 0 | 110.2 | A808 V811 R812 Q924 E925 A926 K931 Y932 | A808-I928 HydrophobicContact CB-CD1 4.04Å; A808-I928 HydrophobicContact CB-CG2 4.39Å; V811-I928 HydrophobicContact CB-CG2 4.06Å; V811-I928 HydrophobicContact CG1-CB 4.17Å; V811-I928 HydrophobicContact CG1-CG2 3.88Å; R812-I928 HydrophobicContact CG-CG2 4.4Å; Q924-I928 WeakPolarHBondContact O-CD1 3.39Å; Q924-I928 VanDerWaalsContact O-CG1 3.27Å; Q924-I928 WeakPolarHBondContact O-CG1 3.43Å; Q924-I928 PolarHBondContact O-N 3.32Å; E925-I928 PolarHBondContact O-N 3.02Å; E925-I928 VanDerWaalsContact O-N 3.12Å; A926-I928 VanDerWaalsContact C-N 3.32Å; A926-I928 PolarHBondContact O-N 3.07Å; I928-K931 PolarHBondContact O-N 3.38Å; I928-Y932 WeakPolarHBondContact O-CB 3.36Å; I928-Y932 PolarHBondContact O-N 3.38Å |
| 929 | A | 87 | Confident | 85.9 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 5% | 0.05 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.4 | -51 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V811 V815 L920 E925 A926 K931 Y932 L933 | V811-A929 HydrophobicContact CG1-CB 4.04Å; V815-A929 HydrophobicContact CG2-CB 3.74Å; L920-A929 HydrophobicContact CD1-CB 4.46Å; L920-A929 HydrophobicContact CD2-CB 4.45Å; E925-A929 WeakPolarHBondContact O-CB 3.26Å; E925-A929 PolarHBondContact O-N 3.19Å; A926-A929 PolarHBondContact O-N 2.85Å; A929-K931 PolarHBondContact O-N 2.95Å; A929-Y932 PolarHBondContact O-N 3.39Å; A929-Y932 VanDerWaalsContact O-N 3.1Å; A929-L933 WeakPolarHBondContact O-CG 3.48Å; A929-L933 PolarHBondContact O-N 3.47Å |
| 930 | L | 87.2 | Confident | 86.6 | Confident | 116 Ų | 116 | 85.7 Ų | 85.7 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.3 | -44 | 177.9 | -73.2 | 169.4 | 0 | 0 | 0 | 112.7 | A926 Y932 L933 F934 | A926-L930 WeakPolarHBondContact O-CB 3.28Å; A926-L930 WeakPolarHBondContact O-CG 3.42Å; A926-L930 PolarHBondContact O-N 3.31Å; L930-Y932 VanDerWaalsContact C-N 3.29Å; L930-Y932 PolarHBondContact O-N 3.04Å; L930-L933 PolarHBondContact O-N 3.38Å; L930-F934 WeakPolarHBondContact O-CB 3.42Å; L930-F934 PolarHBondContact O-N 2.91Å |
| 931 | K | 89 | Confident | 87.2 | Confident | 157 Ų | 157 | 88.5 Ų | 88.5 | 68% | 0.683 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.5 | -35.4 | 175.4 | -80.8 | -174.6 | 173.7 | -166 | 0 | 112.8 | R927 I928 A929 R935 | R927-K931 WeakPolarHBondContact O-CB 3.28Å; R927-K931 WeakPolarHBondContact O-CG 3.36Å; R927-K931 PolarHBondContact O-N 2.81Å; I928-K931 PolarHBondContact O-N 3.38Å; A929-K931 PolarHBondContact O-N 2.95Å; K931-R935 WeakPolarHBondContact O-CB 3.3Å; K931-R935 PolarHBondContact O-N 2.96Å |
| 932 | Y | 89.4 | Confident | 87.9 | Confident | 38 Ų | 38 | 86.5 Ų | 86.5 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -72.2 | -49.1 | 177 | -179.2 | -103 | 0 | 0 | 0 | 111.2 | R812 V815 K816 I928 A929 L930 F934 R935 Q936 | R812-Y932 HydrophobicContact CB-CD2 4.29Å; R812-Y932 HydrophobicContact CB-CE2 4.42Å; R812-Y932 HydrophobicContact CG-CD2 3.73Å; R812-Y932 HydrophobicContact CG-CE2 4.31Å; R812-Y932 HydrophobicContact CG-CG 3.99Å; V815-Y932 HydrophobicContact CB-CD1 4.03Å; V815-Y932 HydrophobicContact CB-CE1 4.33Å; V815-Y932 HydrophobicContact CG1-CD1 3.67Å; V815-Y932 HydrophobicContact CG1-CE1 4.04Å; K816-Y932 HydrophobicContact CB-CE1 4.27Å; I928-Y932 WeakPolarHBondContact O-CB 3.36Å; I928-Y932 PolarHBondContact O-N 3.38Å; A929-Y932 PolarHBondContact O-N 3.39Å; A929-Y932 VanDerWaalsContact O-N 3.1Å; L930-Y932 VanDerWaalsContact C-N 3.29Å; L930-Y932 PolarHBondContact O-N 3.04Å; Y932-F934 PolarHBondContact O-N 2.96Å; Y932-R935 PolarHBondContact O-N 3.21Å; Y932-Q936 HydrophobicContact CD1-CG 4.19Å; Y932-Q936 HydrophobicContact CE1-CG 3.81Å; Y932-Q936 HydrophobicContact CE2-CG 4.2Å; Y932-Q936 VanDerWaalsContact CE2-NE2 3.28Å; Y932-Q936 VanDerWaalsContact CZ-NE2 3.35Å; Y932-Q936 WeakPolarHBondContact O-CG 3.45Å; Y932-Q936 PolarHBondContact O-N 3.36Å; Y932-Q936 PolarHBondContact OH-NE2 3.12Å |
| 933 | L | 90 | Very high | 88.3 | Confident | 75 Ų | 75 | 86.2 Ų | 86.2 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 177.5 | -72.9 | 172.2 | 0 | 0 | 0 | 112.1 | V815 A929 L930 R935 Q936 A937 | V815-L933 HydrophobicContact CG1-CD1 4.42Å; V815-L933 HydrophobicContact CG1-CD2 3.5Å; V815-L933 HydrophobicContact CG1-CG 3.8Å; A929-L933 WeakPolarHBondContact O-CG 3.48Å; A929-L933 PolarHBondContact O-N 3.47Å; L930-L933 PolarHBondContact O-N 3.38Å; L933-R935 VanDerWaalsContact C-N 3.31Å; L933-R935 PolarHBondContact O-N 3.42Å; L933-Q936 PolarHBondContact O-N 3.34Å; L933-Q936 VanDerWaalsContact O-N 3.16Å; L933-A937 WeakPolarHBondContact O-CB 3.49Å; L933-A937 PolarHBondContact O-N 3.04Å |
| 934 | F | 91.3 | Very high | 88.7 | Confident | 163 Ų | 163 | 84.2 Ų | 84.2 | 72% | 0.715 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.6 | -41 | 177.9 | -169.6 | -91.8 | 0 | 0 | 0 | 111.9 | L930 Y932 S938 | L930-F934 WeakPolarHBondContact O-CB 3.42Å; L930-F934 PolarHBondContact O-N 2.91Å; Y932-F934 PolarHBondContact O-N 2.96Å; F934-S938 WeakPolarHBondContact O-CB 3.37Å; F934-S938 PolarHBondContact O-N 3.1Å; F934-S938 PolarHBondContact O-OG 3.47Å |
| 935 | R | 90.7 | Very high | 89 | Confident | 185 Ų | 185 | 82.6 Ų | 82.6 | 70% | 0.698 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 174.3 | -176.6 | 175 | 177 | 170.5 | 0.3 | 111.7 | K931 Y932 L933 S938 S939 | K931-R935 WeakPolarHBondContact O-CB 3.3Å; K931-R935 PolarHBondContact O-N 2.96Å; Y932-R935 PolarHBondContact O-N 3.21Å; L933-R935 VanDerWaalsContact C-N 3.31Å; L933-R935 PolarHBondContact O-N 3.42Å; R935-S938 PolarHBondContact O-N 3.04Å; R935-S938 PolarHBondContact O-OG 3.25Å; R935-S939 WeakPolarHBondContact O-CB 3.49Å; R935-S939 PolarHBondContact O-N 3.43Å |
| 936 | Q | 88.5 | Confident | 89.3 | Confident | 68 Ų | 68 | 86.4 Ų | 86.4 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 177.1 | -67.2 | -55.7 | -24.4 | 0 | 0 | 111.7 | Y932 L933 S938 S939 S940 | Y932-Q936 HydrophobicContact CD1-CG 4.19Å; Y932-Q936 HydrophobicContact CE1-CG 3.81Å; Y932-Q936 HydrophobicContact CE2-CG 4.2Å; Y932-Q936 VanDerWaalsContact CE2-NE2 3.28Å; Y932-Q936 VanDerWaalsContact CZ-NE2 3.35Å; Y932-Q936 WeakPolarHBondContact O-CG 3.45Å; Y932-Q936 PolarHBondContact O-N 3.36Å; Y932-Q936 PolarHBondContact OH-NE2 3.12Å; L933-Q936 PolarHBondContact O-N 3.34Å; L933-Q936 VanDerWaalsContact O-N 3.16Å; Q936-S938 PolarHBondContact O-N 3.18Å; Q936-S939 PolarHBondContact O-N 3.5Å; Q936-S939 VanDerWaalsContact O-N 3.16Å; Q936-S940 WeakPolarHBondContact O-CB 3.46Å; Q936-S940 PolarHBondContact O-N 2.89Å |
| 937 | A | 88.5 | Confident | 89.6 | Confident | 61 Ų | 61 | 89.6 Ų | 89.6 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.2 | -49.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L933 S939 S940 E941 | L933-A937 WeakPolarHBondContact O-CB 3.49Å; L933-A937 PolarHBondContact O-N 3.04Å; A937-S939 VanDerWaalsContact C-N 3.3Å; A937-S939 PolarHBondContact O-N 2.93Å; A937-S940 PolarHBondContact O-N 3.4Å; A937-E941 PolarHBondContact O-N 3.01Å |
| 938 | S | 92 | Very high | 89.7 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 176.7 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | F934 R935 Q936 V942 | F934-S938 WeakPolarHBondContact O-CB 3.37Å; F934-S938 PolarHBondContact O-N 3.1Å; F934-S938 PolarHBondContact O-OG 3.47Å; R935-S938 PolarHBondContact O-N 3.04Å; R935-S938 PolarHBondContact O-OG 3.25Å; Q936-S938 PolarHBondContact O-N 3.18Å; S938-V942 WeakPolarHBondContact O-CG2 3.39Å; S938-V942 PolarHBondContact O-N 3.01Å |
| 939 | S | 90.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 87.4 Ų | 87.4 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73.5 | -33.9 | 177.3 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | R935 Q936 A937 S943 | R935-S939 WeakPolarHBondContact O-CB 3.49Å; R935-S939 PolarHBondContact O-N 3.43Å; Q936-S939 PolarHBondContact O-N 3.5Å; Q936-S939 VanDerWaalsContact O-N 3.16Å; A937-S939 VanDerWaalsContact C-N 3.3Å; A937-S939 PolarHBondContact O-N 2.93Å; S939-S943 VanDerWaalsContact O-CB 3.32Å; S939-S943 WeakPolarHBondContact O-CB 3.39Å; S939-S943 PolarHBondContact O-N 3.49Å |
| 940 | S | 89.6 | Confident | 90 | Very high | 78 Ų | 78 | 92.1 Ų | 92.1 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.9 | -44.3 | 177.7 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | Q936 A937 S943 K944 | Q936-S940 WeakPolarHBondContact O-CB 3.46Å; Q936-S940 PolarHBondContact O-N 2.89Å; A937-S940 PolarHBondContact O-N 3.4Å; S940-S943 PolarHBondContact O-N 3.42Å; S940-K944 WeakPolarHBondContact O-CB 3.26Å; S940-K944 PolarHBondContact O-N 3.16Å |
| 941 | E | 91 | Very high | 90.1 | Very high | 93 Ų | 93 | 90.9 Ų | 90.9 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | -179.7 | -160.2 | 63.2 | -156.5 | 0 | 0 | 111.7 | A937 S943 K944 I945 | A937-E941 PolarHBondContact O-N 3.01Å; E941-S943 VanDerWaalsContact C-N 3.32Å; E941-S943 PolarHBondContact O-N 3.38Å; E941-K944 WeakPolarHBondContact O-CB 3.3Å; E941-K944 PolarHBondContact O-N 3.1Å; E941-K944 IonicContact OE1-NZ 3.46Å; E941-K944 PolarHBondContact OE1-NZ 2.95Å; E941-I945 HydrophobicContact CG-CD1 4.41Å; E941-I945 WeakPolarHBondContact O-CG1 3.27Å; E941-I945 PolarHBondContact O-N 3.33Å |
| 942 | V | 91.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 88.3 Ų | 88.3 | 52% | 0.515 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | S938 K944 N946 | S938-V942 WeakPolarHBondContact O-CG2 3.39Å; S938-V942 PolarHBondContact O-N 3.01Å; V942-K944 VanDerWaalsContact C-N 3.34Å; V942-N946 VanDerWaalsContact O-CG 3.26Å; V942-N946 PolarHBondContact O-N 3.09Å; V942-N946 VanDerWaalsContact O-N 3.1Å; V942-N946 PolarHBondContact O-ND2 3.17Å |
| 943 | S | 91.1 | Very high | 90 | Very high | 62 Ų | 62 | 92.3 Ų | 92.3 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 176.2 | -167.7 | 0 | 0 | 0 | 0 | 112.7 | S939 S940 E941 L947 | S939-S943 VanDerWaalsContact O-CB 3.32Å; S939-S943 WeakPolarHBondContact O-CB 3.39Å; S939-S943 PolarHBondContact O-N 3.49Å; S940-S943 PolarHBondContact O-N 3.42Å; E941-S943 VanDerWaalsContact C-N 3.32Å; E941-S943 PolarHBondContact O-N 3.38Å; S943-L947 VanDerWaalsContact O-CG 3.3Å; S943-L947 WeakPolarHBondContact O-CG 3.5Å; S943-L947 PolarHBondContact O-N 2.97Å; S943-L947 VanDerWaalsContact O-N 3.09Å |
| 944 | K | 89.8 | Confident | 89.9 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 39% | 0.391 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -51.1 | 176.2 | 176.2 | -170 | 146.6 | -151.9 | 0 | 110.5 | S940 E941 V942 N946 L947 E948 | S940-K944 WeakPolarHBondContact O-CB 3.26Å; S940-K944 PolarHBondContact O-N 3.16Å; E941-K944 WeakPolarHBondContact O-CB 3.3Å; E941-K944 PolarHBondContact O-N 3.1Å; E941-K944 IonicContact OE1-NZ 3.46Å; E941-K944 PolarHBondContact OE1-NZ 2.95Å; V942-K944 VanDerWaalsContact C-N 3.34Å; K944-N946 VanDerWaalsContact C-N 3.29Å; K944-N946 PolarHBondContact O-N 3.01Å; K944-L947 CarbonylContact O-C 3.33Å; K944-L947 WeakPolarHBondContact O-CA 3.41Å; K944-L947 WeakPolarHBondContact O-CB 3.37Å; K944-L947 PolarHBondContact O-N 3.23Å; K944-E948 WeakPolarHBondContact CE-OE1 3.45Å; K944-E948 HydrophobicContact CG-CG 4.41Å; K944-E948 IonicContact NZ-OE1 3.34Å; K944-E948 WeakPolarHBondContact O-CG 3.35Å; K944-E948 PolarHBondContact O-N 2.83Å |
| 945 | I | 90.7 | Very high | 89.8 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 177.4 | -66.6 | 164.7 | 0 | 0 | 0 | 110.8 | E941 L947 E948 T949 | E941-I945 HydrophobicContact CG-CD1 4.41Å; E941-I945 WeakPolarHBondContact O-CG1 3.27Å; E941-I945 PolarHBondContact O-N 3.33Å; I945-L947 VanDerWaalsContact C-N 3.33Å; I945-L947 PolarHBondContact O-N 3.37Å; I945-E948 PolarHBondContact O-N 3.44Å; I945-T949 WeakPolarHBondContact O-CG2 3.49Å; I945-T949 PolarHBondContact O-N 2.93Å; I945-T949 PolarHBondContact O-OG1 3.46Å |
| 946 | N | 90 | Very high | 89.7 | Confident | 86 Ų | 86 | 86.3 Ų | 86.3 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 175.9 | -72.2 | -18.4 | 0 | 0 | 0 | 112.5 | V942 K944 T949 Q950 | V942-N946 VanDerWaalsContact O-CG 3.26Å; V942-N946 PolarHBondContact O-N 3.09Å; V942-N946 VanDerWaalsContact O-N 3.1Å; V942-N946 PolarHBondContact O-ND2 3.17Å; K944-N946 VanDerWaalsContact C-N 3.29Å; K944-N946 PolarHBondContact O-N 3.01Å; N946-T949 PolarHBondContact O-OG1 3.43Å; N946-Q950 WeakPolarHBondContact O-CG 3.43Å; N946-Q950 PolarHBondContact O-N 3.37Å; N946-Q950 VanDerWaalsContact O-N 3.16Å |
| 947 | L | 90.4 | Very high | 89.6 | Confident | 95 Ų | 95 | 88 Ų | 88 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 176.9 | -73.9 | 168 | 0 | 0 | 0 | 112.2 | S943 K944 I945 Q950 I951 | S943-L947 VanDerWaalsContact O-CG 3.3Å; S943-L947 WeakPolarHBondContact O-CG 3.5Å; S943-L947 PolarHBondContact O-N 2.97Å; S943-L947 VanDerWaalsContact O-N 3.09Å; K944-L947 CarbonylContact O-C 3.33Å; K944-L947 WeakPolarHBondContact O-CA 3.41Å; K944-L947 WeakPolarHBondContact O-CB 3.37Å; K944-L947 PolarHBondContact O-N 3.23Å; I945-L947 VanDerWaalsContact C-N 3.33Å; I945-L947 PolarHBondContact O-N 3.37Å; L947-Q950 PolarHBondContact O-N 3.15Å; L947-I951 VanDerWaalsContact O-CG1 3.3Å; L947-I951 WeakPolarHBondContact O-CG1 3.47Å; L947-I951 PolarHBondContact O-N 2.92Å |
| 948 | E | 89.9 | Confident | 89.5 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 173.8 | -72.1 | 168.8 | 158 | 0 | 0 | 110.2 | K944 I945 Q950 I951 D952 | K944-E948 WeakPolarHBondContact CE-OE1 3.45Å; K944-E948 HydrophobicContact CG-CG 4.41Å; K944-E948 IonicContact NZ-OE1 3.34Å; K944-E948 WeakPolarHBondContact O-CG 3.35Å; K944-E948 PolarHBondContact O-N 2.83Å; I945-E948 PolarHBondContact O-N 3.44Å; E948-Q950 VanDerWaalsContact C-N 3.29Å; E948-Q950 PolarHBondContact O-N 2.85Å; E948-I951 WeakPolarHBondContact O-CB 3.47Å; E948-I951 PolarHBondContact O-N 3.26Å; E948-I951 VanDerWaalsContact O-N 3.08Å; E948-D952 PolarHBondContact O-N 2.97Å |
| 949 | T | 90.3 | Very high | 89.3 | Confident | 75 Ų | 75 | 90.8 Ų | 90.8 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -30.9 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | I945 N946 E953 | I945-T949 WeakPolarHBondContact O-CG2 3.49Å; I945-T949 PolarHBondContact O-N 2.93Å; I945-T949 PolarHBondContact O-OG1 3.46Å; N946-T949 PolarHBondContact O-OG1 3.43Å; T949-E953 PolarHBondContact O-N 2.96Å; T949-E953 VanDerWaalsContact O-N 3.16Å |
| 950 | Q | 89.8 | Confident | 89 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.6 | -33 | 174.8 | -74.6 | 172.7 | 14.2 | 0 | 0 | 112.2 | N946 L947 E948 L954 | N946-Q950 WeakPolarHBondContact O-CG 3.43Å; N946-Q950 PolarHBondContact O-N 3.37Å; N946-Q950 VanDerWaalsContact O-N 3.16Å; L947-Q950 PolarHBondContact O-N 3.15Å; E948-Q950 VanDerWaalsContact C-N 3.29Å; E948-Q950 PolarHBondContact O-N 2.85Å; Q950-L954 WeakPolarHBondContact O-CB 3.42Å; Q950-L954 VanDerWaalsContact O-CG 3.23Å; Q950-L954 WeakPolarHBondContact O-CG 3.5Å; Q950-L954 PolarHBondContact O-N 2.94Å |
| 951 | I | 89.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 90.5 Ų | 90.5 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 173.4 | -70.5 | 163.5 | 0 | 0 | 0 | 109.5 | L947 E948 E953 L954 E955 | L947-I951 VanDerWaalsContact O-CG1 3.3Å; L947-I951 WeakPolarHBondContact O-CG1 3.47Å; L947-I951 PolarHBondContact O-N 2.92Å; E948-I951 WeakPolarHBondContact O-CB 3.47Å; E948-I951 PolarHBondContact O-N 3.26Å; E948-I951 VanDerWaalsContact O-N 3.08Å; I951-E953 VanDerWaalsContact C-N 3.31Å; I951-E953 PolarHBondContact O-N 3.23Å; I951-L954 CarbonylContact O-C 3.55Å; I951-L954 PolarHBondContact O-N 2.67Å; I951-L954 VanDerWaalsContact O-N 3.14Å; I951-E955 HydrophobicContact CG2-CG 4.34Å; I951-E955 WeakPolarHBondContact O-CG 3.24Å; I951-E955 PolarHBondContact O-N 3.48Å |
| 952 | D | 88.7 | Confident | 88.4 | Confident | 103 Ų | 103 | 91.4 Ų | 91.4 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | 177 | -64.8 | -22.3 | 0 | 0 | 0 | 112.1 | E948 E955 S956 | E948-D952 PolarHBondContact O-N 2.97Å; D952-E955 PolarHBondContact O-N 3.14Å; D952-S956 WeakPolarHBondContact O-CB 3.39Å; D952-S956 PolarHBondContact O-N 3.1Å |
| 953 | E | 88 | Confident | 88.1 | Confident | 121 Ų | 121 | 93.4 Ų | 93.4 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 175.7 | -170.6 | 178.9 | -178.5 | 0 | 0 | 111.9 | T949 I951 S956 Q957 | T949-E953 PolarHBondContact O-N 2.96Å; T949-E953 VanDerWaalsContact O-N 3.16Å; I951-E953 VanDerWaalsContact C-N 3.31Å; I951-E953 PolarHBondContact O-N 3.23Å; E953-S956 WeakPolarHBondContact O-CB 3.36Å; E953-S956 PolarHBondContact O-N 3.15Å; E953-Q957 WeakPolarHBondContact O-CG 3.46Å; E953-Q957 PolarHBondContact O-N 3.34Å |
| 954 | L | 87.8 | Confident | 87.7 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.8 | -35.3 | 176.8 | -73 | 169.6 | 0 | 0 | 0 | 112.7 | Q950 I951 Q957 L958 | Q950-L954 WeakPolarHBondContact O-CB 3.42Å; Q950-L954 VanDerWaalsContact O-CG 3.23Å; Q950-L954 WeakPolarHBondContact O-CG 3.5Å; Q950-L954 PolarHBondContact O-N 2.94Å; I951-L954 CarbonylContact O-C 3.55Å; I951-L954 PolarHBondContact O-N 2.67Å; I951-L954 VanDerWaalsContact O-N 3.14Å; L954-Q957 PolarHBondContact O-N 3.46Å; L954-L958 VanDerWaalsContact O-CB 3.27Å; L954-L958 WeakPolarHBondContact O-CB 3.45Å; L954-L958 PolarHBondContact O-N 3.29Å |
| 955 | E | 89 | Confident | 87.1 | Confident | 109 Ų | 109 | 95.4 Ų | 95.4 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 174 | -73.8 | -165 | 175.6 | 0 | 0 | 111.8 | I951 D952 L958 N959 | I951-E955 HydrophobicContact CG2-CG 4.34Å; I951-E955 WeakPolarHBondContact O-CG 3.24Å; I951-E955 PolarHBondContact O-N 3.48Å; D952-E955 PolarHBondContact O-N 3.14Å; E955-L958 PolarHBondContact O-N 2.86Å; E955-N959 WeakPolarHBondContact O-CB 3.46Å; E955-N959 VanDerWaalsContact O-CG 3.3Å; E955-N959 PolarHBondContact O-N 3.13Å; E955-N959 PolarHBondContact O-ND2 2.8Å |
| 956 | S | 88 | Confident | 86.6 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -47.3 | 172.2 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | D952 E953 L958 N959 A960 | D952-S956 WeakPolarHBondContact O-CB 3.39Å; D952-S956 PolarHBondContact O-N 3.1Å; E953-S956 WeakPolarHBondContact O-CB 3.36Å; E953-S956 PolarHBondContact O-N 3.15Å; S956-L958 PolarHBondContact O-N 2.61Å; S956-N959 PolarHBondContact O-N 2.69Å; S956-A960 PolarHBondContact O-N 3.26Å |
| 957 | Q | 86 | Confident | 86.1 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 175 | -69.5 | 176.3 | 22.8 | 0 | 0 | 112 | E953 L954 N959 A960 E961 | E953-Q957 WeakPolarHBondContact O-CG 3.46Å; E953-Q957 PolarHBondContact O-N 3.34Å; L954-Q957 PolarHBondContact O-N 3.46Å; Q957-N959 VanDerWaalsContact C-N 3.33Å; Q957-N959 PolarHBondContact O-N 3.33Å; Q957-A960 PolarHBondContact O-N 3.22Å; Q957-E961 PolarHBondContact O-N 3.05Å |
| 958 | L | 87.8 | Confident | 85.4 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.1 | 178 | 63.3 | 0 | 0 | 0 | 112 | L954 E955 S956 E961 K962 | L954-L958 VanDerWaalsContact O-CB 3.27Å; L954-L958 WeakPolarHBondContact O-CB 3.45Å; L954-L958 PolarHBondContact O-N 3.29Å; E955-L958 PolarHBondContact O-N 2.86Å; S956-L958 PolarHBondContact O-N 2.61Å; L958-E961 PolarHBondContact O-N 2.82Å; L958-K962 WeakPolarHBondContact O-CG 3.32Å; L958-K962 PolarHBondContact O-N 3.15Å |
| 959 | N | 86.8 | Confident | 84.9 | Confident | 85 Ų | 85 | 98.6 Ų | 98.6 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.6 | -36.1 | 177 | -71.3 | -25.4 | 0 | 0 | 0 | 112.2 | E955 S956 Q957 K962 Q963 | E955-N959 WeakPolarHBondContact O-CB 3.46Å; E955-N959 VanDerWaalsContact O-CG 3.3Å; E955-N959 PolarHBondContact O-N 3.13Å; E955-N959 PolarHBondContact O-ND2 2.8Å; S956-N959 PolarHBondContact O-N 2.69Å; Q957-N959 VanDerWaalsContact C-N 3.33Å; Q957-N959 PolarHBondContact O-N 3.33Å; N959-K962 PolarHBondContact O-N 3.03Å; N959-K962 PolarHBondContact OD1-NZ 3.42Å; N959-Q963 PolarHBondContact O-N 3.17Å |
| 960 | A | 84.8 | Confident | 84.3 | Confident | 46 Ų | 46 | 100.5 Ų | 100.5 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S956 Q957 Q963 K964 | S956-A960 PolarHBondContact O-N 3.26Å; Q957-A960 PolarHBondContact O-N 3.22Å; A960-Q963 PolarHBondContact O-N 3.35Å; A960-K964 WeakPolarHBondContact O-CG 3.36Å; A960-K964 PolarHBondContact O-N 3.43Å; A960-K964 VanDerWaalsContact O-N 3.13Å |
| 961 | E | 82 | Confident | 83.5 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 174.7 | -71.6 | -55.1 | 135.5 | 0 | 0 | 112.9 | Q957 L958 Q963 K964 V965 | Q957-E961 PolarHBondContact O-N 3.05Å; L958-E961 PolarHBondContact O-N 2.82Å; E961-Q963 VanDerWaalsContact C-N 3.28Å; E961-Q963 PolarHBondContact O-N 2.8Å; E961-K964 PolarHBondContact O-N 3.24Å; E961-K964 WeakPolarHBondContact OE1-CE 3.35Å; E961-K964 IonicContact OE1-NZ 3.52Å; E961-K964 PolarHBondContact OE1-NZ 2.89Å; E961-V965 WeakPolarHBondContact O-CG2 3.34Å; E961-V965 PolarHBondContact O-N 3.49Å |
| 962 | K | 85.6 | Confident | 82.6 | Confident | 113 Ų | 113 | 98.6 Ų | 98.6 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.8 | -44.6 | 171.6 | -74.6 | 171.5 | -168.4 | 157.4 | 0 | 111.4 | L958 N959 K964 V965 E966 | L958-K962 WeakPolarHBondContact O-CG 3.32Å; L958-K962 PolarHBondContact O-N 3.15Å; N959-K962 PolarHBondContact O-N 3.03Å; N959-K962 PolarHBondContact OD1-NZ 3.42Å; K962-K964 PolarHBondContact O-N 2.9Å; K962-V965 PolarHBondContact O-N 2.64Å; K962-E966 PolarHBondContact O-N 3.34Å |
| 963 | Q | 84.2 | Confident | 81.9 | Confident | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -36.7 | 179.7 | -164.7 | 176.4 | 16.5 | 0 | 0 | 112.3 | N959 A960 E961 E966 N967 | N959-Q963 PolarHBondContact O-N 3.17Å; A960-Q963 PolarHBondContact O-N 3.35Å; E961-Q963 VanDerWaalsContact C-N 3.28Å; E961-Q963 PolarHBondContact O-N 2.8Å; Q963-E966 PolarHBondContact O-N 3.05Å; Q963-N967 VanDerWaalsContact O-CG 3.26Å; Q963-N967 PolarHBondContact O-N 3.48Å; Q963-N967 PolarHBondContact O-ND2 2.97Å |
| 964 | K | 82.1 | Confident | 81.2 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 171.3 | -68.9 | 174 | -172.6 | 172.6 | 0 | 112.1 | A960 E961 K962 E966 N967 L968 | A960-K964 WeakPolarHBondContact O-CG 3.36Å; A960-K964 PolarHBondContact O-N 3.43Å; A960-K964 VanDerWaalsContact O-N 3.13Å; E961-K964 PolarHBondContact O-N 3.24Å; E961-K964 WeakPolarHBondContact OE1-CE 3.35Å; E961-K964 IonicContact OE1-NZ 3.52Å; E961-K964 PolarHBondContact OE1-NZ 2.89Å; K962-K964 PolarHBondContact O-N 2.9Å; K964-E966 VanDerWaalsContact C-N 3.34Å; K964-N967 PolarHBondContact O-N 3.45Å; K964-L968 WeakPolarHBondContact O-CG 3.33Å; K964-L968 PolarHBondContact O-N 3.16Å |
| 965 | V | 77.6 | Confident | 80.5 | Confident | 82 Ų | 82 | 102.2 Ų | 102.2 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | E961 K962 L968 L969 | E961-V965 WeakPolarHBondContact O-CG2 3.34Å; E961-V965 PolarHBondContact O-N 3.49Å; K962-V965 PolarHBondContact O-N 2.64Å; V965-L968 PolarHBondContact O-N 3.06Å; V965-L969 HydrophobicContact CG1-CD1 4.22Å; V965-L969 PolarHBondContact O-N 3.16Å |
| 966 | E | 80.6 | Confident | 79.8 | Confident | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 177.1 | -167.4 | 158.8 | -150.6 | 0 | 0 | 112.2 | K962 Q963 K964 L968 L969 Q970 | K962-E966 PolarHBondContact O-N 3.34Å; Q963-E966 PolarHBondContact O-N 3.05Å; K964-E966 VanDerWaalsContact C-N 3.34Å; E966-L968 PolarHBondContact O-N 3.29Å; E966-L969 WeakPolarHBondContact O-CB 3.47Å; E966-L969 PolarHBondContact O-N 2.61Å; E966-Q970 WeakPolarHBondContact O-CG 3.45Å; E966-Q970 PolarHBondContact O-N 3.39Å |
| 967 | N | 79.6 | Confident | 79.2 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 170.8 | -69 | -17.6 | 0 | 0 | 0 | 112 | Q963 K964 Q970 T971 | Q963-N967 VanDerWaalsContact O-CG 3.26Å; Q963-N967 PolarHBondContact O-N 3.48Å; Q963-N967 PolarHBondContact O-ND2 2.97Å; K964-N967 PolarHBondContact O-N 3.45Å; N967-Q970 PolarHBondContact O-N 3.08Å; N967-T971 PolarHBondContact O-N 3.29Å; N967-T971 PolarHBondContact O-OG1 2.98Å |
| 968 | L | 76.7 | Confident | 78.6 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 176.3 | -74.9 | 169.7 | 0 | 0 | 0 | 112 | K964 V965 E966 T971 T972 | K964-L968 WeakPolarHBondContact O-CG 3.33Å; K964-L968 PolarHBondContact O-N 3.16Å; V965-L968 PolarHBondContact O-N 3.06Å; E966-L968 PolarHBondContact O-N 3.29Å; L968-T971 WeakPolarHBondContact CA-OG1 3.38Å; L968-T971 PolarHBondContact O-N 2.96Å; L968-T971 PolarHBondContact O-OG1 3.28Å; L968-T972 WeakPolarHBondContact O-CB 3.43Å; L968-T972 PolarHBondContact O-N 3.26Å; L968-T972 PolarHBondContact O-OG1 3.2Å |
| 969 | L | 79.6 | Confident | 77.9 | Confident | 102 Ų | 102 | 100.2 Ų | 100.2 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 172.4 | -82.1 | 161 | 0 | 0 | 0 | 111.4 | V965 E966 T971 T972 E973 | V965-L969 HydrophobicContact CG1-CD1 4.22Å; V965-L969 PolarHBondContact O-N 3.16Å; E966-L969 WeakPolarHBondContact O-CB 3.47Å; E966-L969 PolarHBondContact O-N 2.61Å; L969-T971 PolarHBondContact O-N 2.82Å; L969-T972 WeakPolarHBondContact O-CA 3.26Å; L969-T972 WeakPolarHBondContact O-CB 3.49Å; L969-T972 PolarHBondContact O-N 3.47Å; L969-E973 PolarHBondContact O-N 2.94Å |
| 970 | Q | 75.9 | Confident | 77.4 | Confident | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.9 | -69 | 177 | 16 | 0 | 0 | 112.5 | E966 N967 T972 E973 H974 | E966-Q970 WeakPolarHBondContact O-CG 3.45Å; E966-Q970 PolarHBondContact O-N 3.39Å; N967-Q970 PolarHBondContact O-N 3.08Å; Q970-T972 VanDerWaalsContact C-N 3.31Å; Q970-T972 PolarHBondContact O-N 3.24Å; Q970-E973 PolarHBondContact O-N 3.07Å; Q970-H974 PolarHBondContact O-N 3.47Å |
| 971 | T | 73 | Confident | 77.1 | Confident | 67 Ų | 67 | 104.9 Ų | 104.9 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 173.9 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | N967 L968 L969 H974 Y975 | N967-T971 PolarHBondContact O-N 3.29Å; N967-T971 PolarHBondContact O-OG1 2.98Å; L968-T971 WeakPolarHBondContact CA-OG1 3.38Å; L968-T971 PolarHBondContact O-N 2.96Å; L968-T971 PolarHBondContact O-OG1 3.28Å; L969-T971 PolarHBondContact O-N 2.82Å; T971-H974 WeakPolarHBondContact O-CB 3.37Å; T971-H974 PolarHBondContact O-N 3.18Å; T971-Y975 WeakPolarHBondContact O-CD2 3.47Å; T971-Y975 PolarHBondContact O-N 3.45Å; T971-Y975 VanDerWaalsContact O-N 3.1Å |
| 972 | T | 70.5 | Confident | 76.4 | Confident | 90 Ų | 90 | 103.4 Ų | 103.4 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.2 | -40.1 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L968 L969 Q970 Y975 S976 | L968-T972 WeakPolarHBondContact O-CB 3.43Å; L968-T972 PolarHBondContact O-N 3.26Å; L968-T972 PolarHBondContact O-OG1 3.2Å; L969-T972 WeakPolarHBondContact O-CA 3.26Å; L969-T972 WeakPolarHBondContact O-CB 3.49Å; L969-T972 PolarHBondContact O-N 3.47Å; Q970-T972 VanDerWaalsContact C-N 3.31Å; Q970-T972 PolarHBondContact O-N 3.24Å; T972-Y975 PolarHBondContact O-N 3.07Å; T972-S976 WeakPolarHBondContact O-CB 3.33Å; T972-S976 PolarHBondContact O-N 2.92Å |
| 973 | E | 73.5 | Confident | 75.7 | Confident | 136 Ų | 136 | 101.5 Ų | 101.5 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 172.3 | -71.2 | -173.7 | 156.7 | 0 | 0 | 111.8 | L969 Q970 S976 V977 | L969-E973 PolarHBondContact O-N 2.94Å; Q970-E973 PolarHBondContact O-N 3.07Å; E973-S976 WeakPolarHBondContact O-CB 3.49Å; E973-S976 PolarHBondContact O-N 3.32Å; E973-V977 WeakPolarHBondContact O-CG2 3.24Å; E973-V977 PolarHBondContact O-N 2.85Å |
| 974 | H | 73.9 | Confident | 75.4 | Confident | 113 Ų | 113 | 102 Ų | 102 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 174.6 | -172.6 | -80.8 | 0 | 0 | 0 | 112 | Q970 T971 S976 V977 E978 | Q970-H974 PolarHBondContact O-N 3.47Å; T971-H974 WeakPolarHBondContact O-CB 3.37Å; T971-H974 PolarHBondContact O-N 3.18Å; H974-S976 VanDerWaalsContact C-N 3.28Å; H974-S976 PolarHBondContact O-N 2.91Å; H974-V977 PolarHBondContact O-N 3.23Å; H974-V977 VanDerWaalsContact O-N 3.17Å; H974-E978 VanDerWaalsContact CE1-CD 3.42Å; H974-E978 IonicContact CE1-OE1 2.67Å; H974-E978 PolarHBondContact CE1-OE1 3.12Å; H974-E978 IonicContact CE1-OE2 2.72Å; H974-E978 IonicContact ND1-OE2 3.32Å; H974-E978 PolarHBondContact O-N 3.37Å |
| 975 | Y | 74 | Confident | 75.2 | Confident | 159 Ų | 159 | 101.6 Ų | 101.6 | 62% | 0.624 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -34.5 | 177 | -67.8 | -52.5 | 0 | 0 | 0 | 112.8 | T971 T972 E978 L979 | T971-Y975 WeakPolarHBondContact O-CD2 3.47Å; T971-Y975 PolarHBondContact O-N 3.45Å; T971-Y975 VanDerWaalsContact O-N 3.1Å; T972-Y975 PolarHBondContact O-N 3.07Å; Y975-E978 PolarHBondContact O-N 3.3Å; Y975-L979 WeakPolarHBondContact O-CB 3.42Å; Y975-L979 PolarHBondContact O-N 3.11Å |
| 976 | S | 72.5 | Confident | 74.6 | Confident | 63 Ų | 63 | 102.7 Ų | 102.7 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 174 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | T972 E973 H974 L979 L980 | T972-S976 WeakPolarHBondContact O-CB 3.33Å; T972-S976 PolarHBondContact O-N 2.92Å; E973-S976 WeakPolarHBondContact O-CB 3.49Å; E973-S976 PolarHBondContact O-N 3.32Å; H974-S976 VanDerWaalsContact C-N 3.28Å; H974-S976 PolarHBondContact O-N 2.91Å; S976-L979 PolarHBondContact O-N 3.16Å; S976-L980 WeakPolarHBondContact O-CG 3.46Å; S976-L980 PolarHBondContact O-N 3.49Å |
| 977 | V | 75.6 | Confident | 74.6 | Confident | 74 Ų | 74 | 103 Ų | 103 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 112 | E973 H974 K981 | E973-V977 WeakPolarHBondContact O-CG2 3.24Å; E973-V977 PolarHBondContact O-N 2.85Å; H974-V977 PolarHBondContact O-N 3.23Å; H974-V977 VanDerWaalsContact O-N 3.17Å; V977-K981 WeakPolarHBondContact O-CG 3.42Å; V977-K981 PolarHBondContact O-N 3.1Å; V977-K981 VanDerWaalsContact O-N 3.15Å |
| 978 | E | 75.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 173.7 | -70.9 | -170.6 | 137.3 | 0 | 0 | 112.4 | H974 Y975 K981 S982 | H974-E978 VanDerWaalsContact CE1-CD 3.42Å; H974-E978 IonicContact CE1-OE1 2.67Å; H974-E978 PolarHBondContact CE1-OE1 3.12Å; H974-E978 IonicContact CE1-OE2 2.72Å; H974-E978 IonicContact ND1-OE2 3.32Å; H974-E978 PolarHBondContact O-N 3.37Å; Y975-E978 PolarHBondContact O-N 3.3Å; E978-K981 PolarHBondContact O-N 2.8Å; E978-S982 PolarHBondContact O-N 3.09Å |
| 979 | L | 72.6 | Confident | 74.8 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 175.9 | -167 | 76.3 | 0 | 0 | 0 | 111.2 | Y975 S976 K981 S982 E983 | Y975-L979 WeakPolarHBondContact O-CB 3.42Å; Y975-L979 PolarHBondContact O-N 3.11Å; S976-L979 PolarHBondContact O-N 3.16Å; L979-K981 PolarHBondContact O-N 3.18Å; L979-S982 CarbonylContact O-C 3.52Å; L979-S982 WeakPolarHBondContact O-CA 3.49Å; L979-S982 WeakPolarHBondContact O-CB 3.39Å; L979-S982 PolarHBondContact O-N 3.14Å; L979-S982 VanDerWaalsContact O-N 3.1Å; L979-E983 PolarHBondContact O-N 3.01Å |
| 980 | L | 75.1 | Confident | 74.7 | Confident | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 177.2 | -73.3 | 169.8 | 0 | 0 | 0 | 112.6 | S976 S982 E983 E984 | S976-L980 WeakPolarHBondContact O-CG 3.46Å; S976-L980 PolarHBondContact O-N 3.49Å; L980-S982 VanDerWaalsContact C-N 3.32Å; L980-S982 PolarHBondContact O-N 3.25Å; L980-E983 PolarHBondContact O-N 3.42Å; L980-E984 PolarHBondContact O-N 3.47Å |
| 981 | K | 80 | Confident | 75 | Confident | 127 Ų | 127 | 101.2 Ų | 101.2 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 173.1 | -71.7 | 172 | -178.8 | 173.7 | 0 | 111.8 | V977 E978 L979 E984 N985 | V977-K981 WeakPolarHBondContact O-CG 3.42Å; V977-K981 PolarHBondContact O-N 3.1Å; V977-K981 VanDerWaalsContact O-N 3.15Å; E978-K981 PolarHBondContact O-N 2.8Å; L979-K981 PolarHBondContact O-N 3.18Å; K981-E984 PolarHBondContact O-N 3.44Å; K981-N985 PolarHBondContact O-N 3.46Å; K981-N985 PolarHBondContact O-ND2 2.84Å |
| 982 | S | 67.3 | Low | 75.4 | Confident | 66 Ų | 66 | 105.5 Ų | 105.5 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 175.6 | -167.6 | 0 | 0 | 0 | 0 | 112.4 | E978 L979 L980 M986 | E978-S982 PolarHBondContact O-N 3.09Å; L979-S982 CarbonylContact O-C 3.52Å; L979-S982 WeakPolarHBondContact O-CA 3.49Å; L979-S982 WeakPolarHBondContact O-CB 3.39Å; L979-S982 PolarHBondContact O-N 3.14Å; L979-S982 VanDerWaalsContact O-N 3.1Å; L980-S982 VanDerWaalsContact C-N 3.32Å; L980-S982 PolarHBondContact O-N 3.25Å; S982-M986 WeakPolarHBondContact O-CG 3.44Å; S982-M986 PolarHBondContact O-N 2.87Å |
| 983 | E | 70.7 | Confident | 75.9 | Confident | 73 Ų | 73 | 105.5 Ų | 105.5 | 34% | 0.341 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | 173.1 | -72.9 | -167.6 | 173.9 | 0 | 0 | 112.7 | L979 L980 M986 K987 | L979-E983 PolarHBondContact O-N 3.01Å; L980-E983 PolarHBondContact O-N 3.42Å; E983-M986 HydrophobicContact CG-CE 4.43Å; E983-M986 PolarHBondContact O-N 3.02Å; E983-K987 WeakPolarHBondContact O-CG 3.47Å; E983-K987 PolarHBondContact O-N 2.9Å; E983-K987 IonicContact OE2-NZ 2.66Å |
| 984 | E | 76.7 | Confident | 76.2 | Confident | 136 Ų | 136 | 104.7 Ų | 104.7 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 175.8 | -170 | 167 | -153 | 0 | 0 | 111.3 | L980 K981 M986 K987 D988 | L980-E984 PolarHBondContact O-N 3.47Å; K981-E984 PolarHBondContact O-N 3.44Å; E984-M986 VanDerWaalsContact C-N 3.31Å; E984-M986 PolarHBondContact O-N 3.41Å; E984-K987 WeakPolarHBondContact O-CB 3.36Å; E984-K987 PolarHBondContact O-N 3.32Å; E984-D988 PolarHBondContact O-N 3.39Å |
| 985 | N | 77.7 | Confident | 76.6 | Confident | 105 Ų | 105 | 101.8 Ų | 101.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.2 | -39.6 | 171.9 | -72.7 | -22.9 | 0 | 0 | 0 | 112.4 | K981 K987 D988 I989 | K981-N985 PolarHBondContact O-N 3.46Å; K981-N985 PolarHBondContact O-ND2 2.84Å; N985-K987 VanDerWaalsContact C-N 3.32Å; N985-K987 PolarHBondContact O-N 3.32Å; N985-D988 PolarHBondContact O-N 3.29Å; N985-I989 VanDerWaalsContact O-CG1 3.3Å; N985-I989 WeakPolarHBondContact O-CG1 3.3Å; N985-I989 PolarHBondContact O-N 3.46Å |
| 986 | M | 66.4 | Low | 76.8 | Confident | 104 Ų | 104 | 96.6 Ų | 96.6 | 51% | 0.512 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 173.6 | -76.6 | -160.3 | -63.1 | 0 | 0 | 112.7 | S982 E983 E984 Q990 | S982-M986 WeakPolarHBondContact O-CG 3.44Å; S982-M986 PolarHBondContact O-N 2.87Å; E983-M986 HydrophobicContact CG-CE 4.43Å; E983-M986 PolarHBondContact O-N 3.02Å; E984-M986 VanDerWaalsContact C-N 3.31Å; E984-M986 PolarHBondContact O-N 3.41Å; M986-Q990 WeakPolarHBondContact O-CB 3.47Å; M986-Q990 WeakPolarHBondContact O-CG 3.38Å; M986-Q990 PolarHBondContact O-N 2.91Å |
| 987 | K | 79.1 | Confident | 77.2 | Confident | 127 Ų | 127 | 97.2 Ų | 97.2 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -40.3 | 176.9 | -70.7 | 163.1 | -171.3 | 156.4 | 0 | 111.6 | E983 E984 N985 Q990 S991 | E983-K987 WeakPolarHBondContact O-CG 3.47Å; E983-K987 PolarHBondContact O-N 2.9Å; E983-K987 IonicContact OE2-NZ 2.66Å; E984-K987 WeakPolarHBondContact O-CB 3.36Å; E984-K987 PolarHBondContact O-N 3.32Å; N985-K987 VanDerWaalsContact C-N 3.32Å; N985-K987 PolarHBondContact O-N 3.32Å; K987-Q990 PolarHBondContact O-N 3.34Å; K987-S991 WeakPolarHBondContact O-CB 3.42Å; K987-S991 PolarHBondContact O-N 3.23Å |
| 988 | D | 83.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 98.9 Ų | 98.9 | 43% | 0.428 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 171.4 | 177.6 | 67 | 0 | 0 | 0 | 111.2 | E984 N985 Q990 S991 R992 | E984-D988 PolarHBondContact O-N 3.39Å; N985-D988 PolarHBondContact O-N 3.29Å; D988-Q990 VanDerWaalsContact C-N 3.33Å; D988-Q990 PolarHBondContact O-N 3.07Å; D988-S991 PolarHBondContact O-N 3.27Å; D988-S991 VanDerWaalsContact O-N 3.16Å; D988-R992 WeakPolarHBondContact O-CG 3.41Å; D988-R992 PolarHBondContact O-N 3.46Å; D988-R992 WeakPolarHBondContact OD2-CD 3.24Å; D988-R992 IonicContact OD2-CZ 3.44Å; D988-R992 IonicContact OD2-NE 2.68Å; D988-R992 IonicContact OD2-NH1 3.37Å; D988-R992 PolarHBondContact OD2-NH1 3.2Å |
| 989 | I | 76.7 | Confident | 77.9 | Confident | 89 Ų | 89 | 100.5 Ų | 100.5 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 178.8 | -67.7 | 166.1 | 0 | 0 | 0 | 110.8 | N985 R992 L993 | N985-I989 VanDerWaalsContact O-CG1 3.3Å; N985-I989 WeakPolarHBondContact O-CG1 3.3Å; N985-I989 PolarHBondContact O-N 3.46Å; I989-R992 PolarHBondContact O-N 3.29Å; I989-L993 WeakPolarHBondContact O-CB 3.45Å; I989-L993 PolarHBondContact O-N 2.83Å |
| 990 | Q | 78.1 | Confident | 78.2 | Confident | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 176.1 | -78.7 | -178 | 1.1 | 0 | 0 | 112.6 | M986 K987 D988 L993 Q994 | M986-Q990 WeakPolarHBondContact O-CB 3.47Å; M986-Q990 WeakPolarHBondContact O-CG 3.38Å; M986-Q990 PolarHBondContact O-N 2.91Å; K987-Q990 PolarHBondContact O-N 3.34Å; D988-Q990 VanDerWaalsContact C-N 3.33Å; D988-Q990 PolarHBondContact O-N 3.07Å; Q990-L993 PolarHBondContact O-N 2.98Å; Q990-Q994 PolarHBondContact O-N 3.16Å |
| 991 | S | 81.6 | Confident | 78.6 | Confident | 77 Ų | 77 | 98.2 Ų | 98.2 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | K987 D988 Q994 A995 | K987-S991 WeakPolarHBondContact O-CB 3.42Å; K987-S991 PolarHBondContact O-N 3.23Å; D988-S991 PolarHBondContact O-N 3.27Å; D988-S991 VanDerWaalsContact O-N 3.16Å; S991-Q994 PolarHBondContact O-N 3.33Å; S991-A995 PolarHBondContact O-N 3.48Å |
| 992 | R | 83.1 | Confident | 78.7 | Confident | 157 Ų | 157 | 96.5 Ų | 96.5 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 175.5 | -69.7 | 162.7 | 61.4 | -174.4 | -2.9 | 112.5 | D988 I989 A996 | D988-R992 WeakPolarHBondContact O-CG 3.41Å; D988-R992 PolarHBondContact O-N 3.46Å; D988-R992 WeakPolarHBondContact OD2-CD 3.24Å; D988-R992 IonicContact OD2-CZ 3.44Å; D988-R992 IonicContact OD2-NE 2.68Å; D988-R992 IonicContact OD2-NH1 3.37Å; D988-R992 PolarHBondContact OD2-NH1 3.2Å; I989-R992 PolarHBondContact O-N 3.29Å; R992-A996 WeakPolarHBondContact O-CB 3.47Å; R992-A996 PolarHBondContact O-N 2.97Å |
| 993 | L | 79.2 | Confident | 79.3 | Confident | 90 Ų | 90 | 95.1 Ų | 95.1 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 173.3 | -118.2 | 163.4 | 0 | 0 | 0 | 111.9 | I989 Q990 A996 N997 | I989-L993 WeakPolarHBondContact O-CB 3.45Å; I989-L993 PolarHBondContact O-N 2.83Å; Q990-L993 PolarHBondContact O-N 2.98Å; L993-A996 PolarHBondContact O-N 3.46Å; L993-N997 PolarHBondContact O-N 2.9Å; L993-N997 PolarHBondContact O-ND2 3.37Å |
| 994 | Q | 80.6 | Confident | 79.7 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -49.9 | 175.7 | -175.2 | 178.8 | -27.5 | 0 | 0 | 110.9 | Q990 S991 A996 N997 E998 | Q990-Q994 PolarHBondContact O-N 3.16Å; S991-Q994 PolarHBondContact O-N 3.33Å; Q994-A996 VanDerWaalsContact C-N 3.26Å; Q994-A996 PolarHBondContact O-N 2.83Å; Q994-N997 PolarHBondContact O-N 3.37Å; Q994-E998 WeakPolarHBondContact CG-OE1 3.3Å; Q994-E998 PolarHBondContact NE2-OE1 2.83Å; Q994-E998 WeakPolarHBondContact O-CG 3.43Å; Q994-E998 PolarHBondContact O-N 3.08Å |
| 995 | A | 82.8 | Confident | 79.9 | Confident | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S991 H999 | S991-A995 PolarHBondContact O-N 3.48Å; A995-H999 WeakPolarHBondContact O-CB 3.29Å; A995-H999 PolarHBondContact O-N 3.16Å |
| 996 | A | 78.8 | Confident | 80.1 | Confident | 50 Ų | 50 | 96 Ų | 96 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R992 L993 Q994 H999 I1000 | R992-A996 WeakPolarHBondContact O-CB 3.47Å; R992-A996 PolarHBondContact O-N 2.97Å; L993-A996 PolarHBondContact O-N 3.46Å; Q994-A996 VanDerWaalsContact C-N 3.26Å; Q994-A996 PolarHBondContact O-N 2.83Å; A996-H999 PolarHBondContact O-N 3.16Å; A996-I1000 WeakPolarHBondContact O-CG1 3.35Å; A996-I1000 PolarHBondContact O-N 2.99Å |
| 997 | N | 79.3 | Confident | 80.3 | Confident | 76 Ų | 76 | 93 Ų | 93 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 175.9 | -73 | -60 | 0 | 0 | 0 | 111.8 | L993 Q994 H999 I1000 D1001 | L993-N997 PolarHBondContact O-N 2.9Å; L993-N997 PolarHBondContact O-ND2 3.37Å; Q994-N997 PolarHBondContact O-N 3.37Å; N997-H999 PolarHBondContact O-N 3.26Å; N997-I1000 WeakPolarHBondContact O-CB 3.26Å; N997-I1000 PolarHBondContact O-N 2.77Å; N997-D1001 PolarHBondContact O-N 3.23Å |
| 998 | E | 83.2 | Confident | 80.2 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 175.2 | -70.1 | 171.7 | -169.4 | 0 | 0 | 111.5 | Q994 Q1002 | Q994-E998 WeakPolarHBondContact CG-OE1 3.3Å; Q994-E998 PolarHBondContact NE2-OE1 2.83Å; Q994-E998 WeakPolarHBondContact O-CG 3.43Å; Q994-E998 PolarHBondContact O-N 3.08Å; E998-Q1002 WeakPolarHBondContact O-CB 3.28Å; E998-Q1002 PolarHBondContact O-N 3.34Å; E998-Q1002 VanDerWaalsContact O-N 3.12Å |
| 999 | H | 82 | Confident | 80.1 | Confident | 133 Ų | 133 | 91.3 Ų | 91.3 | 62% | 0.616 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.3 | -31.8 | 174.5 | -129 | -57.1 | 0 | 0 | 0 | 113.6 | A995 A996 N997 L1003 | A995-H999 WeakPolarHBondContact O-CB 3.29Å; A995-H999 PolarHBondContact O-N 3.16Å; A996-H999 PolarHBondContact O-N 3.16Å; N997-H999 PolarHBondContact O-N 3.26Å; H999-L1003 WeakPolarHBondContact O-CG 3.39Å; H999-L1003 PolarHBondContact O-N 2.98Å |
| 1000 | I | 79.8 | Confident | 79.9 | Confident | 58 Ų | 58 | 91 Ų | 91 | 30% | 0.297 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.2 | -47.9 | 173.6 | -70.8 | 164.3 | 0 | 0 | 0 | 110.1 | A996 N997 Q1002 L1003 E1004 | A996-I1000 WeakPolarHBondContact O-CG1 3.35Å; A996-I1000 PolarHBondContact O-N 2.99Å; N997-I1000 WeakPolarHBondContact O-CB 3.26Å; N997-I1000 PolarHBondContact O-N 2.77Å; I1000-Q1002 VanDerWaalsContact C-N 3.28Å; I1000-Q1002 PolarHBondContact O-N 2.75Å; I1000-L1003 CarbonylContact O-C 3.59Å; I1000-L1003 PolarHBondContact O-N 3.47Å; I1000-L1003 VanDerWaalsContact O-N 3.07Å; I1000-E1004 HydrophobicContact CG2-CG 4.37Å; I1000-E1004 PolarHBondContact O-N 3.03Å |
| 1001 | D | 82.8 | Confident | 79.8 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 179 | -73.4 | -11.3 | 0 | 0 | 0 | 111.6 | N997 E1004 K1005 | N997-D1001 PolarHBondContact O-N 3.23Å; D1001-E1004 PolarHBondContact O-N 2.93Å; D1001-K1005 PolarHBondContact O-N 2.87Å |
| 1002 | Q | 82.3 | Confident | 79.5 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 43% | 0.425 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.8 | -178.1 | 61.2 | 26.5 | 0 | 0 | 112.1 | E998 I1000 K1005 E1006 | E998-Q1002 WeakPolarHBondContact O-CB 3.28Å; E998-Q1002 PolarHBondContact O-N 3.34Å; E998-Q1002 VanDerWaalsContact O-N 3.12Å; I1000-Q1002 VanDerWaalsContact C-N 3.28Å; I1000-Q1002 PolarHBondContact O-N 2.75Å; Q1002-K1005 WeakPolarHBondContact O-CB 3.29Å; Q1002-K1005 PolarHBondContact O-N 3.39Å; Q1002-E1006 PolarHBondContact NE2-OE1 2.88Å; Q1002-E1006 PolarHBondContact O-N 3.41Å |
| 1003 | L | 79.7 | Confident | 79.1 | Confident | 37 Ų | 37 | 89.7 Ų | 89.7 | 19% | 0.194 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 175 | -73.5 | 170.5 | 0 | 0 | 0 | 112.5 | L411 H999 I1000 K1005 N1007 | L411-L1003 HydrophobicContact CD2-CD2 4.47Å; H999-L1003 WeakPolarHBondContact O-CG 3.39Å; H999-L1003 PolarHBondContact O-N 2.98Å; I1000-L1003 CarbonylContact O-C 3.59Å; I1000-L1003 PolarHBondContact O-N 3.47Å; I1000-L1003 VanDerWaalsContact O-N 3.07Å; L1003-K1005 VanDerWaalsContact C-N 3.32Å; L1003-N1007 WeakPolarHBondContact O-CB 3.31Å; L1003-N1007 PolarHBondContact O-N 2.74Å; L1003-N1007 PolarHBondContact O-ND2 3.47Å |
| 1004 | E | 79.5 | Confident | 78.7 | Confident | 132 Ų | 132 | 88.9 Ų | 88.9 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 173 | -73 | -159.6 | 167.2 | 0 | 0 | 111.4 | I1000 D1001 N1007 A1008 | I1000-E1004 HydrophobicContact CG2-CG 4.37Å; I1000-E1004 PolarHBondContact O-N 3.03Å; D1001-E1004 PolarHBondContact O-N 2.93Å; E1004-N1007 PolarHBondContact O-N 3.26Å; E1004-A1008 WeakPolarHBondContact O-CB 3.09Å; E1004-A1008 PolarHBondContact O-N 2.99Å |
| 1005 | K | 82 | Confident | 78.7 | Confident | 116 Ų | 116 | 88.2 Ų | 88.2 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -48.4 | 175 | -172 | -174.5 | 173.6 | -163.6 | 0 | 112.1 | D1001 Q1002 L1003 N1007 A1008 E1009 | D1001-K1005 PolarHBondContact O-N 2.87Å; Q1002-K1005 WeakPolarHBondContact O-CB 3.29Å; Q1002-K1005 PolarHBondContact O-N 3.39Å; L1003-K1005 VanDerWaalsContact C-N 3.32Å; K1005-N1007 VanDerWaalsContact C-N 3.29Å; K1005-N1007 PolarHBondContact O-N 3.26Å; K1005-A1008 WeakPolarHBondContact O-CB 3.49Å; K1005-A1008 PolarHBondContact O-N 2.94Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.47Å; K1005-E1009 IonicContact NZ-OE1 3.65Å; K1005-E1009 PolarHBondContact O-N 2.93Å |
| 1006 | E | 81.6 | Confident | 78.5 | Confident | 84 Ų | 84 | 89.8 Ų | 89.8 | 39% | 0.393 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.4 | -73.2 | 171 | -162.1 | 0 | 0 | 111.6 | Q1002 A1008 E1009 L1010 | Q1002-E1006 PolarHBondContact NE2-OE1 2.88Å; Q1002-E1006 PolarHBondContact O-N 3.41Å; E1006-A1008 VanDerWaalsContact C-N 3.35Å; E1006-A1008 PolarHBondContact O-N 3.4Å; E1006-E1009 PolarHBondContact O-N 2.91Å; E1006-L1010 WeakPolarHBondContact O-CB 3.36Å; E1006-L1010 WeakPolarHBondContact O-CG 3.3Å; E1006-L1010 PolarHBondContact O-N 3.28Å |
| 1007 | N | 69.3 | Low | 78.1 | Confident | 43 Ų | 43 | 94 Ų | 94 | 23% | 0.23 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 172.9 | -82.8 | -68.8 | 0 | 0 | 0 | 113.2 | L1003 E1004 K1005 R1011 | L1003-N1007 WeakPolarHBondContact O-CB 3.31Å; L1003-N1007 PolarHBondContact O-N 2.74Å; L1003-N1007 PolarHBondContact O-ND2 3.47Å; E1004-N1007 PolarHBondContact O-N 3.26Å; K1005-N1007 VanDerWaalsContact C-N 3.29Å; K1005-N1007 PolarHBondContact O-N 3.26Å; N1007-R1011 WeakPolarHBondContact O-CB 3.45Å; N1007-R1011 VanDerWaalsContact O-CG 3.25Å; N1007-R1011 WeakPolarHBondContact O-CG 3.45Å; N1007-R1011 PolarHBondContact O-N 3.31Å |
| 1008 | A | 79 | Confident | 77.7 | Confident | 55 Ų | 55 | 95.2 Ų | 95.2 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1004 K1005 E1006 R1011 E1012 | E1004-A1008 WeakPolarHBondContact O-CB 3.09Å; E1004-A1008 PolarHBondContact O-N 2.99Å; K1005-A1008 WeakPolarHBondContact O-CB 3.49Å; K1005-A1008 PolarHBondContact O-N 2.94Å; E1006-A1008 VanDerWaalsContact C-N 3.35Å; E1006-A1008 PolarHBondContact O-N 3.4Å; A1008-R1011 PolarHBondContact O-N 3.38Å; A1008-E1012 PolarHBondContact O-N 3.35Å |
| 1009 | E | 80 | Confident | 77.3 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.3 | -69.6 | 175.9 | -167.6 | 0 | 0 | 111.4 | K1005 E1006 R1011 E1012 A1013 | K1005-E1009 WeakPolarHBondContact CE-OE1 3.47Å; K1005-E1009 IonicContact NZ-OE1 3.65Å; K1005-E1009 PolarHBondContact O-N 2.93Å; E1006-E1009 PolarHBondContact O-N 2.91Å; E1009-R1011 PolarHBondContact O-N 2.97Å; E1009-E1012 PolarHBondContact O-N 2.91Å; E1009-A1013 WeakPolarHBondContact O-CB 3.4Å; E1009-A1013 PolarHBondContact O-N 3.06Å |
| 1010 | L | 73.8 | Confident | 76.9 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 173.7 | -73.3 | 171.2 | 0 | 0 | 0 | 113 | L411 E1006 S1014 | L411-L1010 HydrophobicContact CD1-CD1 4.46Å; E1006-L1010 WeakPolarHBondContact O-CB 3.36Å; E1006-L1010 WeakPolarHBondContact O-CG 3.3Å; E1006-L1010 PolarHBondContact O-N 3.28Å; L1010-S1014 WeakPolarHBondContact O-CB 3.43Å; L1010-S1014 PolarHBondContact O-N 3.47Å |
| 1011 | R | 74.9 | Confident | 76.5 | Confident | 191 Ų | 191 | 93.3 Ų | 93.3 | 72% | 0.721 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 175.3 | -79.3 | 171.7 | 179.7 | 170.3 | 2.8 | 112.1 | N1007 A1008 E1009 S1014 K1015 | N1007-R1011 WeakPolarHBondContact O-CB 3.45Å; N1007-R1011 VanDerWaalsContact O-CG 3.25Å; N1007-R1011 WeakPolarHBondContact O-CG 3.45Å; N1007-R1011 PolarHBondContact O-N 3.31Å; A1008-R1011 PolarHBondContact O-N 3.38Å; E1009-R1011 PolarHBondContact O-N 2.97Å; R1011-S1014 PolarHBondContact O-N 3.05Å; R1011-K1015 WeakPolarHBondContact O-CB 3.49Å; R1011-K1015 PolarHBondContact O-N 3.11Å |
| 1012 | E | 76.4 | Confident | 76 | Confident | 94 Ų | 94 | 92.8 Ų | 92.8 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 177.8 | -163.6 | 63.6 | -158.4 | 0 | 0 | 110.9 | A1008 E1009 S1014 K1015 I1016 | A1008-E1012 PolarHBondContact O-N 3.35Å; E1009-E1012 PolarHBondContact O-N 2.91Å; E1012-S1014 PolarHBondContact O-N 3.28Å; E1012-K1015 PolarHBondContact O-N 2.9Å; E1012-K1015 IonicContact OE1-NZ 2.69Å; E1012-K1015 PolarHBondContact OE1-NZ 3.33Å; E1012-K1015 IonicContact OE2-NZ 2.67Å; E1012-I1016 HydrophobicContact CG-CD1 4.2Å; E1012-I1016 VanDerWaalsContact O-CG1 3.3Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.48Å; E1012-I1016 PolarHBondContact O-N 2.8Å |
| 1013 | A | 73.8 | Confident | 75.6 | Confident | 53 Ų | 53 | 94.7 Ų | 94.7 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1009 K1015 I1016 Q1017 | E1009-A1013 WeakPolarHBondContact O-CB 3.4Å; E1009-A1013 PolarHBondContact O-N 3.06Å; A1013-K1015 VanDerWaalsContact C-N 3.31Å; A1013-K1015 PolarHBondContact O-N 3.09Å; A1013-I1016 PolarHBondContact O-N 3.33Å; A1013-Q1017 PolarHBondContact O-N 3.21Å |
| 1014 | S | 71.7 | Confident | 75.1 | Confident | 73 Ų | 73 | 97.5 Ų | 97.5 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | L1010 R1011 E1012 H1018 | L1010-S1014 WeakPolarHBondContact O-CB 3.43Å; L1010-S1014 PolarHBondContact O-N 3.47Å; R1011-S1014 PolarHBondContact O-N 3.05Å; E1012-S1014 PolarHBondContact O-N 3.28Å; S1014-H1018 WeakPolarHBondContact O-CB 3.23Å; S1014-H1018 PolarHBondContact O-N 2.93Å |
| 1015 | K | 80 | Confident | 74.5 | Confident | 105 Ų | 105 | 97.7 Ų | 97.7 | 46% | 0.457 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.6 | -43 | 176.8 | -176.3 | -172 | 164.6 | -151.9 | 0 | 111.6 | R1011 E1012 A1013 Q1017 H1018 D1019 | R1011-K1015 WeakPolarHBondContact O-CB 3.49Å; R1011-K1015 PolarHBondContact O-N 3.11Å; E1012-K1015 PolarHBondContact O-N 2.9Å; E1012-K1015 IonicContact OE1-NZ 2.69Å; E1012-K1015 PolarHBondContact OE1-NZ 3.33Å; E1012-K1015 IonicContact OE2-NZ 2.67Å; A1013-K1015 VanDerWaalsContact C-N 3.31Å; A1013-K1015 PolarHBondContact O-N 3.09Å; K1015-Q1017 VanDerWaalsContact C-N 3.31Å; K1015-Q1017 PolarHBondContact O-N 3.32Å; K1015-H1018 WeakPolarHBondContact O-CB 3.43Å; K1015-H1018 PolarHBondContact O-N 2.85Å; K1015-H1018 VanDerWaalsContact O-N 3.1Å; K1015-D1019 PolarHBondContact O-N 3.29Å |
| 1016 | I | 78.4 | Confident | 73.9 | Confident | 85 Ų | 85 | 95 Ų | 95 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 173.4 | -68.5 | 164.3 | 0 | 0 | 0 | 110.6 | E1012 A1013 N1020 | E1012-I1016 HydrophobicContact CG-CD1 4.2Å; E1012-I1016 VanDerWaalsContact O-CG1 3.3Å; E1012-I1016 WeakPolarHBondContact O-CG1 3.48Å; E1012-I1016 PolarHBondContact O-N 2.8Å; A1013-I1016 PolarHBondContact O-N 3.33Å; I1016-N1020 VanDerWaalsContact O-CB 3.3Å; I1016-N1020 WeakPolarHBondContact O-CB 3.31Å; I1016-N1020 PolarHBondContact O-N 2.66Å; I1016-N1020 PolarHBondContact O-ND2 3.47Å |
| 1017 | Q | 70.4 | Confident | 73.2 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -42.9 | 171.9 | -82.9 | -170.4 | -28 | 0 | 0 | 112.3 | A1013 K1015 N1020 L1021 | A1013-Q1017 PolarHBondContact O-N 3.21Å; K1015-Q1017 VanDerWaalsContact C-N 3.31Å; K1015-Q1017 PolarHBondContact O-N 3.32Å; Q1017-N1020 PolarHBondContact O-N 3.47Å; Q1017-L1021 WeakPolarHBondContact O-CB 3.43Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.36Å; Q1017-L1021 PolarHBondContact O-N 2.83Å |
| 1018 | H | 71.7 | Confident | 72.9 | Confident | 103 Ų | 103 | 100.7 Ų | 100.7 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 177.4 | -169.4 | 84.9 | 0 | 0 | 0 | 112.4 | S1014 K1015 N1020 L1021 M1022 | S1014-H1018 WeakPolarHBondContact O-CB 3.23Å; S1014-H1018 PolarHBondContact O-N 2.93Å; K1015-H1018 WeakPolarHBondContact O-CB 3.43Å; K1015-H1018 PolarHBondContact O-N 2.85Å; K1015-H1018 VanDerWaalsContact O-N 3.1Å; H1018-N1020 VanDerWaalsContact C-N 3.33Å; H1018-N1020 PolarHBondContact O-N 3.45Å; H1018-L1021 PolarHBondContact O-N 3.16Å; H1018-M1022 WeakPolarHBondContact NE2-CE 3.49Å; H1018-M1022 WeakPolarHBondContact O-CG 3.4Å; H1018-M1022 PolarHBondContact O-N 3.36Å |
| 1019 | D | 74.4 | Confident | 72 | Confident | 73 Ų | 73 | 102.5 Ų | 102.5 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.2 | -72.2 | -15.8 | 0 | 0 | 0 | 111.7 | K1015 M1022 K1023 | K1015-D1019 PolarHBondContact O-N 3.29Å; D1019-M1022 PolarHBondContact O-N 3.34Å; D1019-K1023 VanDerWaalsContact O-CG 3.32Å; D1019-K1023 WeakPolarHBondContact O-CG 3.27Å; D1019-K1023 PolarHBondContact O-N 3.31Å |
| 1020 | N | 74 | Confident | 70.8 | Confident | 74 Ų | 74 | 102.4 Ų | 102.4 | 40% | 0.396 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 174.8 | -72.7 | -22.6 | 0 | 0 | 0 | 112 | I1016 Q1017 H1018 K1023 I1024 | I1016-N1020 VanDerWaalsContact O-CB 3.3Å; I1016-N1020 WeakPolarHBondContact O-CB 3.31Å; I1016-N1020 PolarHBondContact O-N 2.66Å; I1016-N1020 PolarHBondContact O-ND2 3.47Å; Q1017-N1020 PolarHBondContact O-N 3.47Å; H1018-N1020 VanDerWaalsContact C-N 3.33Å; H1018-N1020 PolarHBondContact O-N 3.45Å; N1020-K1023 PolarHBondContact O-N 2.93Å; N1020-I1024 VanDerWaalsContact O-CG1 3.28Å; N1020-I1024 WeakPolarHBondContact O-CG1 3.47Å; N1020-I1024 PolarHBondContact O-N 3.01Å |
| 1021 | L | 70.5 | Confident | 69.3 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 172.1 | -81.9 | 166.2 | 0 | 0 | 0 | 111.7 | Q1017 H1018 I1024 R1025 | Q1017-L1021 WeakPolarHBondContact O-CB 3.43Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.36Å; Q1017-L1021 PolarHBondContact O-N 2.83Å; H1018-L1021 PolarHBondContact O-N 3.16Å; L1021-I1024 PolarHBondContact O-N 3.21Å; L1021-R1025 WeakPolarHBondContact O-CB 3.34Å; L1021-R1025 PolarHBondContact O-N 2.92Å |
| 1022 | M | 73.4 | Confident | 67.5 | Low | 93 Ų | 93 | 99 Ų | 99 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 175.4 | -76 | -65.7 | -168 | 0 | 0 | 112.3 | H1018 D1019 R1025 S1026 | H1018-M1022 WeakPolarHBondContact NE2-CE 3.49Å; H1018-M1022 WeakPolarHBondContact O-CG 3.4Å; H1018-M1022 PolarHBondContact O-N 3.36Å; D1019-M1022 PolarHBondContact O-N 3.34Å; M1022-R1025 PolarHBondContact O-N 3.34Å; M1022-S1026 WeakPolarHBondContact O-CB 3.34Å; M1022-S1026 PolarHBondContact O-N 3.44Å |
| 1023 | K | 74 | Confident | 65.6 | Low | 131 Ų | 131 | 98.9 Ų | 98.9 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.6 | -46.2 | 172.8 | -74.8 | 169.5 | -174.5 | 168.4 | 0 | 111.9 | D1019 N1020 R1025 S1026 L1027 | D1019-K1023 VanDerWaalsContact O-CG 3.32Å; D1019-K1023 WeakPolarHBondContact O-CG 3.27Å; D1019-K1023 PolarHBondContact O-N 3.31Å; N1020-K1023 PolarHBondContact O-N 2.93Å; K1023-R1025 VanDerWaalsContact C-N 3.34Å; K1023-R1025 PolarHBondContact O-N 2.9Å; K1023-S1026 PolarHBondContact O-N 2.85Å; K1023-L1027 VanDerWaalsContact O-CG 3.31Å; K1023-L1027 WeakPolarHBondContact O-CG 3.43Å; K1023-L1027 PolarHBondContact O-N 3.13Å |
| 1024 | I | 69 | Low | 63.7 | Low | 97 Ų | 97 | 102.8 Ų | 102.8 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.4 | -44.1 | 176.3 | -68.8 | 163.5 | 0 | 0 | 0 | 110.3 | N1020 L1021 S1026 L1027 M1028 | N1020-I1024 VanDerWaalsContact O-CG1 3.28Å; N1020-I1024 WeakPolarHBondContact O-CG1 3.47Å; N1020-I1024 PolarHBondContact O-N 3.01Å; L1021-I1024 PolarHBondContact O-N 3.21Å; I1024-S1026 VanDerWaalsContact C-N 3.35Å; I1024-S1026 PolarHBondContact O-N 3.1Å; I1024-L1027 PolarHBondContact O-N 3.32Å; I1024-M1028 HydrophobicContact CG2-CG 4.34Å; I1024-M1028 WeakPolarHBondContact O-CB 3.47Å; I1024-M1028 VanDerWaalsContact O-CG 3.24Å; I1024-M1028 WeakPolarHBondContact O-CG 3.35Å; I1024-M1028 PolarHBondContact O-N 3.37Å |
| 1025 | R | 66.9 | Low | 61.7 | Low | 136 Ų | 136 | 105.8 Ų | 105.8 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.7 | -43.3 | 177.7 | -147.5 | 176.6 | -149.8 | 170.9 | 8.2 | 111.4 | S398 L1021 M1022 K1023 M1028 T1029 | S398-R1025 PolarHBondContact OG-NH2 3.12Å; L1021-R1025 WeakPolarHBondContact O-CB 3.34Å; L1021-R1025 PolarHBondContact O-N 2.92Å; M1022-R1025 PolarHBondContact O-N 3.34Å; K1023-R1025 VanDerWaalsContact C-N 3.34Å; K1023-R1025 PolarHBondContact O-N 2.9Å; R1025-M1028 PolarHBondContact O-N 3.35Å; R1025-T1029 WeakPolarHBondContact O-CG2 3.42Å; R1025-T1029 PolarHBondContact O-N 3Å; R1025-T1029 PolarHBondContact O-OG1 2.9Å |
| 1026 | S | 69.4 | Low | 59.2 | Low | 59 Ų | 59 | 104 Ų | 104 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 176 | 178.9 | 0 | 0 | 0 | 0 | 113.1 | M1022 K1023 I1024 T1029 N1030 | M1022-S1026 WeakPolarHBondContact O-CB 3.34Å; M1022-S1026 PolarHBondContact O-N 3.44Å; K1023-S1026 PolarHBondContact O-N 2.85Å; I1024-S1026 VanDerWaalsContact C-N 3.35Å; I1024-S1026 PolarHBondContact O-N 3.1Å; S1026-T1029 WeakPolarHBondContact CA-OG1 3.4Å; S1026-T1029 PolarHBondContact O-OG1 2.93Å; S1026-N1030 WeakPolarHBondContact O-CB 3.25Å; S1026-N1030 PolarHBondContact O-N 3.02Å; S1026-N1030 VanDerWaalsContact O-N 3.12Å; S1026-N1030 PolarHBondContact O-ND2 3.4Å; S1026-N1030 PolarHBondContact O-OD1 3.44Å |
| 1027 | L | 66.3 | Low | 56.9 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.2 | -39.9 | 174.8 | -71.6 | 166.1 | 0 | 0 | 0 | 111.5 | K1023 I1024 N1030 S1031 | K1023-L1027 VanDerWaalsContact O-CG 3.31Å; K1023-L1027 WeakPolarHBondContact O-CG 3.43Å; K1023-L1027 PolarHBondContact O-N 3.13Å; I1024-L1027 PolarHBondContact O-N 3.32Å; L1027-N1030 PolarHBondContact O-N 3.1Å; L1027-S1031 WeakPolarHBondContact O-CB 3.42Å; L1027-S1031 PolarHBondContact O-N 3.42Å; L1027-S1031 PolarHBondContact O-OG 3.28Å |
| 1028 | M | 63.9 | Low | 54.8 | Low | 134 Ų | 134 | 107.9 Ų | 107.9 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.2 | -44.7 | 175.9 | -69 | -71.1 | -119.6 | 0 | 0 | 112.2 | I1024 R1025 N1030 S1031 | I1024-M1028 HydrophobicContact CG2-CG 4.34Å; I1024-M1028 WeakPolarHBondContact O-CB 3.47Å; I1024-M1028 VanDerWaalsContact O-CG 3.24Å; I1024-M1028 WeakPolarHBondContact O-CG 3.35Å; I1024-M1028 PolarHBondContact O-N 3.37Å; R1025-M1028 PolarHBondContact O-N 3.35Å; M1028-N1030 VanDerWaalsContact C-N 3.28Å; M1028-N1030 PolarHBondContact O-N 3.09Å; M1028-S1031 PolarHBondContact O-N 3.31Å; M1028-S1031 VanDerWaalsContact O-N 3.15Å |
| 1029 | T | 59.3 | Low | 52.9 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.7 | -35.7 | 177.1 | 51 | 0 | 0 | 0 | 0 | 112.5 | R1025 S1026 S1031 | R1025-T1029 WeakPolarHBondContact O-CG2 3.42Å; R1025-T1029 PolarHBondContact O-N 3Å; R1025-T1029 PolarHBondContact O-OG1 2.9Å; S1026-T1029 WeakPolarHBondContact CA-OG1 3.4Å; S1026-T1029 PolarHBondContact O-OG1 2.93Å; T1029-S1031 PolarHBondContact O-N 3.26Å |
| 1030 | N | 54.8 | Low | 50.5 | Low | 114 Ų | 114 | 114.1 Ų | 114.1 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77 | -11.1 | 179.6 | -64.2 | -1.6 | 0 | 0 | 0 | 113.1 | S1026 L1027 M1028 | S1026-N1030 WeakPolarHBondContact O-CB 3.25Å; S1026-N1030 PolarHBondContact O-N 3.02Å; S1026-N1030 VanDerWaalsContact O-N 3.12Å; S1026-N1030 PolarHBondContact O-ND2 3.4Å; S1026-N1030 PolarHBondContact O-OD1 3.44Å; L1027-N1030 PolarHBondContact O-N 3.1Å; M1028-N1030 VanDerWaalsContact C-N 3.28Å; M1028-N1030 PolarHBondContact O-N 3.09Å |
| 1031 | S | 42.2 | Very low | 48.4 | Very low | 91 Ų | 91 | 116.9 Ų | 116.9 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -3.7 | -178 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | L1027 M1028 T1029 S1033 | L1027-S1031 WeakPolarHBondContact O-CB 3.42Å; L1027-S1031 PolarHBondContact O-N 3.42Å; L1027-S1031 PolarHBondContact O-OG 3.28Å; M1028-S1031 PolarHBondContact O-N 3.31Å; M1028-S1031 VanDerWaalsContact O-N 3.15Å; T1029-S1031 PolarHBondContact O-N 3.26Å; S1031-S1033 PolarHBondContact O-N 2.9Å |
| 1032 | S | 36.7 | Very low | 46.4 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75 | 2 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1033 | S | 37.3 | Very low | 44.5 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -146.2 | 78 | 179.5 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | S1031 | S1031-S1033 PolarHBondContact O-N 2.9Š|
| 1034 | T | 34.4 | Very low | 42.3 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | 179.9 | 127.6 | 127.6 | -68 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1035 | T | 28.7 | Very low | 40.4 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | -71.4 | 128.4 | 176.7 | 45.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1036 | G | 28.5 | Very low | 38.7 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | 71.4 | 118.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1037 | L | 28.7 | Very low | 36.7 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | -176.7 | 130.6 | 115.1 | -96.6 | 159.1 | 0 | 0 | 0 | 110.7 | |||||
| 1038 | T | 27.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -65.8 | 139 | 164 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1039 | V | 30.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | trans | -167.5 | 137.5 | 134.6 | 142.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1040 | E | 25 | Very low | 31.6 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -74.5 | 145.3 | 175.9 | -47.7 | 172.7 | 132 | 0 | 0 | 111.3 | ||||
| 1041 | N | 30.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | -170.9 | 110.9 | 128.1 | -102 | -46.7 | 0 | 0 | 0 | 114.4 | |||||
| 1042 | K | 27.1 | Very low | 29.5 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | 32.8 | 96.9 | 127.1 | -60.9 | 172.6 | -174.1 | 166.1 | 0 | 117.8 | |||||
| 1043 | L | 33.8 | Very low | 28.8 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 97% | 0.969 | 81% | 0.81 | S | S | * | * | trans | -118.3 | 95.2 | 146.1 | -97.9 | 153.9 | 0 | 0 | 0 | 108.7 | ||||
| 1044 | S | 29 | Very low | 28.4 | Very low | 92 Ų | 92 | 149 Ų | 149 | 64% | 0.643 | 82% | 0.818 | S | S | * | * | trans | -97.5 | 144.8 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1045 | N | 28.7 | Very low | 27.8 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | 112 | 80.3 | 160.6 | -57.2 | -17.5 | 0 | 0 | 0 | 117.3 | ||||
| 1046 | T | 30.4 | Very low | 27.8 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | S | Bend | -156.5 | 147.9 | 124.3 | 5.3 | 0 | 0 | 0 | 0 | 108.9 | |||
| 1047 | P | 27.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 139.8 | -153 | 32.9 | -34.9 | 0 | 0 | 0 | 114.9 | ||
| 1048 | V | 29.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 122.6 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | R1050 | V1048-R1050 PolarHBondContact O-N 3.35Š|
| 1049 | L | 26.6 | Very low | 27.1 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.1 | 166.7 | -105.1 | 152.9 | 0 | 0 | 0 | 109.2 | Q1051 | L1049-Q1051 PolarHBondContact O-N 2.87Š|
| 1050 | R | 26.3 | Very low | 26.5 | Very low | 229 Ų | 229 | 152.7 Ų | 152.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.2 | -175 | -68.2 | 179.9 | 177.5 | -176.7 | -1.5 | 111.3 | V1048 | V1048-R1050 PolarHBondContact O-N 3.35Š|
| 1051 | Q | 27.9 | Very low | 26.4 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 132.4 | 158.5 | -72 | 177.8 | -31.6 | 0 | 0 | 109 | L1049 | L1049-Q1051 PolarHBondContact O-N 2.87Š|
| 1052 | Y | 26 | Very low | 25.9 | Very low | 230 Ų | 230 | 151.1 Ų | 151.1 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73 | 135.1 | 171.7 | -91.7 | -87.5 | 0 | 0 | 0 | 110.4 | ||
| 1053 | S | 22.4 | Very low | 25.8 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 134.6 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1054 | S | 27.8 | Very low | 25.1 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -132.1 | 100.5 | 144.3 | 64.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1055 | T | 22.1 | Very low | 24.7 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | trans | -57.4 | 141.6 | 169.7 | 43.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1056 | N | 28.5 | Very low | 24.6 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | -151.7 | 131.3 | 128 | -102.8 | -21.2 | 0 | 0 | 0 | 110.9 | |||||
| 1057 | N | 22.7 | Very low | 24.2 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -71 | 141 | 176.3 | -60.5 | -39.8 | 0 | 0 | 0 | 109.6 | ||||
| 1058 | C | 26.1 | Very low | 24 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 89% | 0.892 | 82% | 0.815 | S | S | * | * | trans | -145.3 | 132.9 | 142 | -150.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1059 | T | 21 | Very low | 23.7 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -84.7 | 136.3 | -168.9 | 34.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1060 | F | 18.8 | Very low | 23.6 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -11.9 | 128.2 | 144.8 | -164.8 | -99.5 | 0 | 0 | 0 | 117.3 | L1062 | F1060-L1062 HydrophobicContact CE1-CD1 3.67Å; F1060-L1062 HydrophobicContact CE1-CG 3.66Å; F1060-L1062 HydrophobicContact CE2-CG 4.29Å; F1060-L1062 HydrophobicContact CZ-CD1 3.54Å; F1060-L1062 HydrophobicContact CZ-CD2 4.07Å; F1060-L1062 HydrophobicContact CZ-CG 3.49Å; F1060-L1062 VanDerWaalsContact CZ-CG 3.49Å | ||
| 1061 | T | 22.4 | Very low | 23.5 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -143.5 | 125.1 | 147.5 | 6.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1062 | L | 18.7 | Very low | 23.3 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 137.8 | 169.3 | -70.9 | 162.5 | 0 | 0 | 0 | 109.6 | F1060 | F1060-L1062 HydrophobicContact CE1-CD1 3.67Å; F1060-L1062 HydrophobicContact CE1-CG 3.66Å; F1060-L1062 HydrophobicContact CE2-CG 4.29Å; F1060-L1062 HydrophobicContact CZ-CD1 3.54Å; F1060-L1062 HydrophobicContact CZ-CD2 4.07Å; F1060-L1062 HydrophobicContact CZ-CG 3.49Å; F1060-L1062 VanDerWaalsContact CZ-CG 3.49Å | ||
| 1063 | L | 24.9 | Very low | 23.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | -135.4 | 141.8 | 148.9 | -79.1 | 178.3 | 0 | 0 | 0 | 109 | ||||
| 1064 | S | 20.8 | Very low | 23.1 | Very low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -88.8 | 165.2 | -164.9 | -41.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1065 | D | 20.5 | Very low | 23 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | 22.6 | 115.2 | 141.4 | -46.5 | -32.9 | 0 | 0 | 0 | 118.3 | ||||
| 1066 | D | 25.9 | Very low | 22.9 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | -164.4 | 160.2 | 114.8 | -108.1 | -30.2 | 0 | 0 | 0 | 112.5 | |||||
| 1067 | E | 21.6 | Very low | 22.7 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 170.8 | -176.8 | -60.4 | -168.3 | 138.6 | 0 | 0 | 114.3 | ||||
| 1068 | N | 24.2 | Very low | 22.8 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 104.5 | 124.2 | 157.9 | -62.9 | -57.2 | 0 | 0 | 0 | 120.8 | ||||
| 1069 | E | 23.3 | Very low | 22.5 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | 49.3 | 115.4 | 140.8 | -57.7 | -155.6 | 133 | 0 | 0 | 123 | V1071 | E1069-V1071 PolarHBondContact O-N 3.41Š| ||
| 1070 | N | 23.7 | Very low | 22.7 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 33.9 | 85 | 127.9 | -77.7 | -32.9 | 0 | 0 | 0 | 119.2 | |||||
| 1071 | V | 24.7 | Very low | 22.9 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -139.2 | 118.7 | 141.5 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | E1069 | E1069-V1071 PolarHBondContact O-N 3.41Š| ||
| 1072 | Y | 22.6 | Very low | 22.8 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -79.1 | 127.9 | 166.8 | -82.4 | -91.2 | 0 | 0 | 0 | 109.7 | Q1074 | Y1072-Q1074 PolarHBondContact O-N 2.96Š| ||
| 1073 | P | 24.9 | Very low | 23.2 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 113.5 | -179.2 | 28.7 | -33 | 0 | 0 | 0 | 111.4 | T1075 | P1073-T1075 PolarHBondContact O-N 3.38Š| ||
| 1074 | Q | 20 | Very low | 22.8 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -74.1 | 112.4 | 163.7 | -69 | -179 | -15.6 | 0 | 0 | 109.3 | Y1072 | Y1072-Q1074 PolarHBondContact O-N 2.96Š| ||
| 1075 | T | 25.2 | Very low | 22.8 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | -93.6 | 135.4 | 161.6 | 47 | 0 | 0 | 0 | 0 | 109.9 | P1073 | P1073-T1075 PolarHBondContact O-N 3.38Š| ||
| 1076 | N | 21.5 | Very low | 22.7 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | trans | -125.1 | 144.4 | -151.1 | -128.2 | -15.5 | 0 | 0 | 0 | 110.4 | ||||
| 1077 | I | 23.5 | Very low | 22.5 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 72 | 154.2 | 148.9 | -62.8 | 162.6 | 0 | 0 | 0 | 115.2 | ||||
| 1078 | P | 25.5 | Very low | 22.7 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -118 | 141.3 | -1.4 | 16.6 | 6.1 | 0 | 0 | 0 | 115.5 | ||||
| 1079 | T | 18.8 | Very low | 22.5 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -77.1 | 128.4 | 141.8 | 47 | 0 | 0 | 0 | 0 | 109 | ||||
| 1080 | D | 25.3 | Very low | 22.5 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | -142.9 | 156.7 | 156.1 | -133 | -20.6 | 0 | 0 | 0 | 114.4 | ||||
| 1081 | K | 23.8 | Very low | 22.5 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -58.5 | 145.1 | -156.4 | -65.5 | 155.4 | -161.9 | 94 | 0 | 116.9 | ||||
| 1082 | S | 20.6 | Very low | 22.5 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -9.8 | 123 | 135.2 | 55.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1083 | L | 25.3 | Very low | 22.7 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -151.5 | 132.4 | 147.3 | -104 | 173.4 | 0 | 0 | 0 | 109.8 | ||||
| 1084 | N | 17.6 | Very low | 22.5 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 157 | 163.1 | -61.3 | -32.2 | 0 | 0 | 0 | 108.9 | ||||
| 1085 | F | 20.2 | Very low | 22.9 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 80% | 0.803 | 76% | 0.759 | S | S | * | * | 176.1 | 129.9 | 114.9 | -109.2 | -105.2 | 0 | 0 | 0 | 110.9 | |||||
| 1086 | T | 19.5 | Very low | 22.8 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 59% | 0.589 | 76% | 0.761 | S | S | * | * | trans | 21.9 | 143.6 | 141.7 | 62.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1087 | D | 20.8 | Very low | 23 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 48.5 | 115.5 | 134.2 | -48.4 | -20.6 | 0 | 0 | 0 | 119.1 | ||||
| 1088 | D | 24.9 | Very low | 23.1 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | -165.6 | 171.2 | 96 | -125.4 | -35.9 | 0 | 0 | 0 | 114.3 | |||||
| 1089 | L | 20.9 | Very low | 23 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 170.9 | -172.3 | -68.7 | 152.9 | 0 | 0 | 0 | 115.4 | ||||
| 1090 | N | 23.1 | Very low | 23.1 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 99.4 | 119.7 | 148.9 | -64 | -39.2 | 0 | 0 | 0 | 121.9 | ||||
| 1091 | N | 24.5 | Very low | 23 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | 85.2 | 120.8 | 127.8 | -68.4 | -6.4 | 0 | 0 | 0 | 123.6 | |||||
| 1092 | N | 24.7 | Very low | 22.9 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | 91.1 | 130.6 | 129.9 | -69.1 | 11.2 | 0 | 0 | 0 | 122.9 | |||||
| 1093 | D | 26.3 | Very low | 23 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 64.9 | 119.7 | 146.8 | -65.8 | -33.7 | 0 | 0 | 0 | 122.8 | ||||
| 1094 | G | 21.4 | Very low | 22.9 | Very low | 85 Ų | 85 | 142.2 Ų | 142.2 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | 99.8 | 69.4 | 108.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1095 | G | 26.6 | Very low | 23 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -176.3 | 125.9 | 165 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1096 | E | 24.4 | Very low | 23.2 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -67.9 | 153.3 | -166.3 | -77 | -174.9 | 130.3 | 0 | 0 | 115.9 | ||||
| 1097 | P | 25.6 | Very low | 23.3 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -89.6 | 140.7 | -168.4 | 35.1 | -35.3 | 0 | 0 | 0 | 114.5 | ||||
| 1098 | G | 24.3 | Very low | 23.4 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -150.9 | 45.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1099 | V | 25.1 | Very low | 23.3 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 42.9 | 85.2 | 161.9 | -164.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1100 | K | 21.1 | Very low | 23.5 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -107.1 | 127.8 | 150.6 | -83.5 | -174.6 | 177.8 | 176.8 | 0 | 110.3 | K1102 | K1100-K1102 PolarHBondContact O-N 3.44Š| ||
| 1101 | L | 22.8 | Very low | 23.5 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -35.4 | 114.1 | 172.7 | -129.1 | 66.5 | 0 | 0 | 0 | 112.1 | ||||
| 1102 | K | 22 | Very low | 23.5 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -107.1 | 121.5 | 163.3 | -89 | -168.7 | 174.9 | -176.5 | 0 | 109.8 | K1100 V1104 | K1100-K1102 PolarHBondContact O-N 3.44Å; K1102-V1104 PolarHBondContact O-N 2.88Å | ||
| 1103 | K | 21.8 | Very low | 23.5 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -50.2 | 126.8 | 173 | -152.2 | -174.6 | -175.5 | -148.7 | 0 | 109.6 | E1105 | K1103-E1105 WeakPolarHBondContact CE-OE1 3.27Å; K1103-E1105 IonicContact NZ-OE1 3.93Å; K1103-E1105 PolarHBondContact NZ-OE1 3.36Å; K1103-E1105 PolarHBondContact O-N 2.98Å | ||
| 1104 | V | 22.9 | Very low | 23.4 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -87.7 | 104.1 | 170.2 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | K1102 | K1102-V1104 PolarHBondContact O-N 2.88Š| ||
| 1105 | E | 20.7 | Very low | 23.6 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -108.5 | 124.3 | 156.4 | -85.6 | 162.1 | -173.3 | 0 | 0 | 106.1 | K1103 | K1103-E1105 WeakPolarHBondContact CE-OE1 3.27Å; K1103-E1105 IonicContact NZ-OE1 3.93Å; K1103-E1105 PolarHBondContact NZ-OE1 3.36Å; K1103-E1105 PolarHBondContact O-N 2.98Å | ||
| 1106 | S | 23.7 | Very low | 23.3 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -150.6 | 112.9 | 178.2 | -66.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1107 | D | 21.1 | Very low | 23.2 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -64.7 | 132.2 | -174.4 | -62.7 | -67.5 | 0 | 0 | 0 | 112.4 | ||||
| 1108 | W | 24.1 | Very low | 23.3 | Very low | 227 Ų | 227 | 143.7 Ų | 143.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -125.5 | 72.2 | 160.7 | -79.8 | 75.1 | 0 | 0 | 0 | 108.9 | L1110 | W1108-L1110 HydrophobicContact CE3-CD1 4.45Å; W1108-L1110 PolarHBondContact O-N 3.28Å | ||
| 1109 | S | 21.6 | Very low | 23.3 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -77.9 | 99.3 | 168.2 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1110 | L | 26.2 | Very low | 23.5 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -99.3 | 111.3 | 168 | -91.9 | 159.9 | 0 | 0 | 0 | 109.9 | W1108 F1112 | W1108-L1110 HydrophobicContact CE3-CD1 4.45Å; W1108-L1110 PolarHBondContact O-N 3.28Å; L1110-F1112 PolarHBondContact O-N 3.36Å | ||
| 1111 | S | 22.5 | Very low | 23.5 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 101.7 | 176.9 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | T1113 | S1111-T1113 PolarHBondContact O-N 2.97Š| ||
| 1112 | F | 25.7 | Very low | 23.8 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -82.8 | 101.3 | 170.1 | -170.6 | -98.6 | 0 | 0 | 0 | 110.4 | L1110 V1114 | L1110-F1112 PolarHBondContact O-N 3.36Å; F1112-V1114 HydrophobicContact CD1-CG2 3.97Å; F1112-V1114 HydrophobicContact CE1-CG2 3.95Å; F1112-V1114 PolarHBondContact O-N 3.41Å | ||
| 1113 | T | 22.9 | Very low | 23.9 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -78.8 | 115.3 | 168.3 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | S1111 V1115 | S1111-T1113 PolarHBondContact O-N 2.97Å; T1113-V1115 PolarHBondContact O-N 3.13Å; T1113-V1115 VanDerWaalsContact O-N 3.15Å | ||
| 1114 | V | 25.5 | Very low | 24.4 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 62% | 0.618 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 110.1 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 109 | F1112 T1116 | F1112-V1114 HydrophobicContact CD1-CG2 3.97Å; F1112-V1114 HydrophobicContact CE1-CG2 3.95Å; F1112-V1114 PolarHBondContact O-N 3.41Å; V1114-T1116 HydrophobicContact CG1-CG2 4.29Å; V1114-T1116 PolarHBondContact O-N 3.04Å | ||
| 1115 | V | 25 | Very low | 24.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -80.2 | 114.1 | 163.7 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | T1113 | T1113-V1115 PolarHBondContact O-N 3.13Å; T1113-V1115 VanDerWaalsContact O-N 3.15Å | ||
| 1116 | T | 21.2 | Very low | 25.6 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 59% | 0.589 | 77% | 0.768 | S | S | * | * | trans | -82.1 | 156.2 | 171.2 | 47.2 | 0 | 0 | 0 | 0 | 111.4 | V1114 | V1114-T1116 HydrophobicContact CG1-CG2 4.29Å; V1114-T1116 PolarHBondContact O-N 3.04Å | ||
| 1117 | D | 22.2 | Very low | 26.7 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | 100.2 | 114.1 | 160.2 | -51.8 | -29.8 | 0 | 0 | 0 | 116.9 | ||||
| 1118 | I | 27.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | -162.9 | 141 | 89.2 | -88.9 | 157.4 | 0 | 0 | 0 | 109.7 | |||||
| 1119 | N | 23.9 | Very low | 31 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -66 | 142.6 | -178.5 | -68.8 | -51.6 | 0 | 0 | 0 | 114.1 | ||||
| 1120 | S | 29 | Very low | 33.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -143 | 112.1 | 139.6 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1121 | N | 22.4 | Very low | 36.3 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | trans | -67.1 | 139.4 | -179.2 | -60.7 | -34.9 | 0 | 0 | 0 | 112.1 | ||||
| 1122 | T | 28.5 | Very low | 39.1 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | -163.7 | 137.7 | 125.2 | 27.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1123 | D | 25 | Very low | 41.7 | Very low | 160 Ų | 160 | 117.7 Ų | 117.7 | 86% | 0.856 | 65% | 0.654 | S | S | * | * | trans | -61.2 | 133.3 | -162.9 | -53.4 | -72.2 | 0 | 0 | 0 | 117.4 | ||||
| 1124 | A | 31.1 | Very low | 44.3 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | trans | -149.5 | 49.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1126 | A1124-S1126 PolarHBondContact O-N 3.45Š| ||
| 1125 | D | 29.7 | Very low | 46.6 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | trans | -86.8 | 96.9 | -174.2 | -167.6 | 17.6 | 0 | 0 | 0 | 112.5 | ||||
| 1126 | S | 38.8 | Very low | 49.1 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | trans | -148.6 | 8.8 | 172.5 | 76.8 | 0 | 0 | 0 | 0 | 117.6 | A1124 | A1124-S1126 PolarHBondContact O-N 3.45Š| ||
| 1127 | H | 47.5 | Very low | 52.2 | Low | 181 Ų | 181 | 119.9 Ų | 119.9 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | trans | -121.1 | 63.7 | -179.5 | -82.6 | 10.3 | 0 | 0 | 0 | 114 | ||||
| 1128 | Q | 64.3 | Low | 54.8 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 38% | 0.383 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 129.4 | 166.8 | -67.8 | -165.2 | 7.3 | 0 | 0 | 111.6 | R1130 | Q1128-R1130 PolarHBondContact O-N 3.09Š|
| 1129 | P | 70.6 | Confident | 56.9 | Low | 40 Ų | 40 | 114.5 Ų | 114.5 | 26% | 0.26 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -71 | 119.6 | -172 | 27.2 | -35.1 | 0 | 0 | 0 | 112.5 | C1143 S1146 R1148 | P1129-C1143 PolarHBondContact O-SG 2.97Å; P1129-S1146 WeakPolarHBondContact CB-OG 3.27Å; P1129-S1146 WeakPolarHBondContact CG-OG 3.37Å; P1129-R1148 HydrophobicContact CG-CB 4.35Å |
| 1130 | R | 78.4 | Confident | 59.4 | Low | 168 Ų | 168 | 119.3 Ų | 119.3 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 147.8 | 178 | -55.5 | -170.7 | -175.7 | -166.2 | -0.7 | 111.5 | Q1128 S1142 H1154 | Q1128-R1130 PolarHBondContact O-N 3.09Å; R1130-S1142 PolarHBondContact O-OG 3.23Å; R1130-H1154 WeakPolarHBondContact CB-O 3.29Å; R1130-H1154 HydrophobicContact CG-CB 4.45Å; R1130-H1154 WeakPolarHBondContact CG-O 3.43Å |
| 1131 | C | 81.5 | Confident | 62 | Low | 8 Ų | 8 | 114 Ų | 114 | 5% | 0.054 | 57% | 0.574 | C | S | . | * | trans | -135 | 154.5 | 173.4 | 81.8 | 0 | 0 | 0 | 0 | 114 | S1142 C1155 H1156 | C1131-S1142 WeakPolarHBondContact CB-OG 3.38Å; C1131-C1155 PolarHBondContact N-SG 2.7Å; C1131-H1156 PolarHBondContact O-N 2.96Å | ||
| 1132 | K | 80.4 | Confident | 64.7 | Low | 170 Ų | 170 | 109.7 Ų | 109.7 | 74% | 0.739 | 56% | 0.555 | S | S | * | * | trans | -119.2 | 31.3 | 177.7 | -63.2 | -177 | 178.8 | 177 | 0 | 112.6 | R1134 H1156 | K1132-R1134 PolarHBondContact O-N 3Å; K1132-H1156 HydrophobicContact CG-CB 4.45Å | ||
| 1133 | C | 80.7 | Confident | 67.6 | Low | 23 Ų | 23 | 103.1 Ų | 103.1 | 16% | 0.155 | 52% | 0.515 | C | S | . | . | trans | -65 | 120.6 | -175.1 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | C1137 C1157 | C1133-C1137 WeakPolarHBondContact CB-SG 3.22Å; C1133-C1157 HydrophobicContact CB-CB 4.42Å; C1133-C1157 WeakPolarHBondContact O-CA 3.47Å | ||
| 1134 | R | 78.5 | Confident | 70.3 | Confident | 220 Ų | 220 | 100.2 Ų | 100.2 | 83% | 0.83 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -85.9 | -10.4 | 178.4 | -66.3 | -170.7 | 178.7 | -161.5 | 0.9 | 115.2 | K1132 | K1132-R1134 PolarHBondContact O-N 3Š|
| 1135 | R | 72.1 | Confident | 72.6 | Confident | 212 Ų | 212 | 106.2 Ų | 106.2 | 80% | 0.8 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -122.9 | -150.9 | 179.2 | -57.1 | -173.5 | -172.5 | -177.5 | 3 | 109.1 | ||
| 1136 | T | 78.9 | Confident | 75.2 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | trans | -68.3 | 130.6 | 174 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | Q1138 L1161 K1163 | T1136-Q1138 PolarHBondContact O-N 3.31Å; T1136-Q1138 PolarHBondContact OG1-OE1 3.49Å; T1136-L1161 WeakPolarHBondContact CA-O 3.4Å; T1136-K1163 HydrophobicContact CG2-CD 4.17Å; T1136-K1163 HydrophobicContact CG2-CG 4.19Å | ||
| 1137 | C | 84.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 101.1 Ų | 101.1 | 0% | 0 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 44.3 | 178.5 | -73.5 | 0 | 0 | 0 | 0 | 113.8 | C1133 C1141 K1144 C1162 N1164 | C1133-C1137 WeakPolarHBondContact CB-SG 3.22Å; C1137-C1141 HydrophobicContact CB-CB 3.69Å; C1137-C1141 WeakPolarHBondContact O-CB 3.36Å; C1137-K1144 VanDerWaalsContact O-CD 3.25Å; C1137-K1144 WeakPolarHBondContact O-CD 3.43Å; C1137-C1162 PolarHBondContact SG-SG 3.36Å; C1137-N1164 HydrophobicContact CB-CB 3.51Å |
| 1138 | Q | 76.6 | Confident | 78.8 | Confident | 96 Ų | 96 | 99.5 Ų | 99.5 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -43.9 | -170.5 | -75.9 | 177.7 | -54.4 | 0 | 0 | 115 | T1136 K1144 K1163 | T1136-Q1138 PolarHBondContact O-N 3.31Å; T1136-Q1138 PolarHBondContact OG1-OE1 3.49Å; Q1138-K1144 PolarHBondContact O-NZ 3.31Å; Q1138-K1163 HydrophobicContact CG-CD 4.5Å |
| 1139 | A | 72.2 | Confident | 79.7 | Confident | 100 Ų | 100 | 98.9 Ų | 98.9 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -115.3 | -30.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1140 | R | 75.6 | Confident | 80.4 | Confident | 244 Ų | 244 | 97.1 Ų | 97.1 | 92% | 0.921 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -123.2 | 27.2 | -178.6 | -64.5 | -171.7 | 179.5 | -173.8 | -1.4 | 113.3 | ||
| 1141 | C | 83.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 92.6 Ų | 92.6 | 4% | 0.041 | 45% | 0.448 | C | S | . | . | trans | -93.9 | 116.7 | 178.1 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | C1137 C1143 K1144 R1145 C1150 | C1137-C1141 HydrophobicContact CB-CB 3.69Å; C1137-C1141 WeakPolarHBondContact O-CB 3.36Å; C1141-C1143 PolarHBondContact O-N 2.92Å; C1141-K1144 HydrophobicContact CB-CB 3.92Å; C1141-K1144 PolarHBondContact O-N 3.26Å; C1141-R1145 PolarHBondContact O-N 2.83Å; C1141-C1150 VanDerWaalsContact SG-SG 3.61Å | ||
| 1142 | S | 80.5 | Confident | 80.3 | Confident | 52 Ų | 52 | 96.8 Ų | 96.8 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.5 | -45.3 | 174.4 | 43.2 | 0 | 0 | 0 | 0 | 112.8 | R1130 C1131 K1144 R1145 S1146 | R1130-S1142 PolarHBondContact O-OG 3.23Å; C1131-S1142 WeakPolarHBondContact CB-OG 3.38Å; S1142-K1144 PolarHBondContact O-N 3.18Å; S1142-R1145 PolarHBondContact O-N 3.04Å; S1142-S1146 PolarHBondContact O-N 3.4Å; S1142-S1146 PolarHBondContact O-OG 3.37Å |
| 1143 | C | 88.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 177.2 | -43.2 | 0 | 0 | 0 | 0 | 111.3 | P1129 C1141 R1145 S1146 G1147 R1148 C1155 | P1129-C1143 PolarHBondContact O-SG 2.97Å; C1141-C1143 PolarHBondContact O-N 2.92Å; C1143-R1145 PolarHBondContact O-N 3.49Å; C1143-S1146 WeakPolarHBondContact CA-OG 3.41Å; C1143-S1146 CarbonylContact O-C 3.5Å; C1143-S1146 PolarHBondContact O-N 3.05Å; C1143-S1146 PolarHBondContact O-OG 3.42Å; C1143-G1147 PolarHBondContact O-N 3.46Å; C1143-G1147 VanDerWaalsContact O-N 3.15Å; C1143-R1148 CarbonylContact C-O 3.56Å; C1143-R1148 WeakPolarHBondContact CB-O 3.3Å; C1143-R1148 PolarHBondContact O-N 3.12Å; C1143-C1155 PolarHBondContact SG-SG 3.34Å |
| 1144 | K | 83.1 | Confident | 80 | Confident | 99 Ų | 99 | 94.9 Ų | 94.9 | 43% | 0.43 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 177.3 | -169.3 | 179.7 | 170.2 | -160 | 0 | 112.2 | C1137 Q1138 C1141 S1142 S1146 G1147 N1164 | C1137-K1144 VanDerWaalsContact O-CD 3.25Å; C1137-K1144 WeakPolarHBondContact O-CD 3.43Å; Q1138-K1144 PolarHBondContact O-NZ 3.31Å; C1141-K1144 HydrophobicContact CB-CB 3.92Å; C1141-K1144 PolarHBondContact O-N 3.26Å; S1142-K1144 PolarHBondContact O-N 3.18Å; K1144-S1146 PolarHBondContact O-N 2.87Å; K1144-G1147 PolarHBondContact O-N 3.45Å; K1144-N1164 WeakPolarHBondContact CB-OD1 3.42Å; K1144-N1164 WeakPolarHBondContact CG-OD1 3.39Å |
| 1145 | R | 79.5 | Confident | 80.2 | Confident | 226 Ų | 226 | 84.7 Ų | 84.7 | 85% | 0.853 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.5 | -27.9 | 177.6 | -151 | -177.9 | -160 | -176.8 | 6 | 112.4 | C1141 S1142 C1143 | C1141-R1145 PolarHBondContact O-N 2.83Å; S1142-R1145 PolarHBondContact O-N 3.04Å; C1143-R1145 PolarHBondContact O-N 3.49Å |
| 1146 | S | 83.2 | Confident | 80.6 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 43% | 0.434 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 13 | 172.9 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | P1129 S1142 C1143 K1144 R1148 | P1129-S1146 WeakPolarHBondContact CB-OG 3.27Å; P1129-S1146 WeakPolarHBondContact CG-OG 3.37Å; S1142-S1146 PolarHBondContact O-N 3.4Å; S1142-S1146 PolarHBondContact O-OG 3.37Å; C1143-S1146 WeakPolarHBondContact CA-OG 3.41Å; C1143-S1146 CarbonylContact O-C 3.5Å; C1143-S1146 PolarHBondContact O-N 3.05Å; C1143-S1146 PolarHBondContact O-OG 3.42Å; K1144-S1146 PolarHBondContact O-N 2.87Å; S1146-R1148 PolarHBondContact O-N 3.04Å; S1146-R1148 VanDerWaalsContact O-N 3.16Å |
| 1147 | G | 79 | Confident | 80.7 | Confident | 71 Ų | 71 | 78.7 Ų | 78.7 | 73% | 0.732 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 6.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | C1143 K1144 | C1143-G1147 PolarHBondContact O-N 3.46Å; C1143-G1147 VanDerWaalsContact O-N 3.15Å; K1144-G1147 PolarHBondContact O-N 3.45Å |
| 1148 | R | 84 | Confident | 80.3 | Confident | 147 Ų | 147 | 82 Ų | 82 | 56% | 0.555 | 44% | 0.436 | S | S | * | . | trans | -102 | 144.6 | -176.8 | -64.6 | -162.3 | -177.7 | -157.1 | 4.4 | 113 | P1129 C1143 S1146 N1164 | P1129-R1148 HydrophobicContact CG-CB 4.35Å; C1143-R1148 CarbonylContact C-O 3.56Å; C1143-R1148 WeakPolarHBondContact CB-O 3.3Å; C1143-R1148 PolarHBondContact O-N 3.12Å; S1146-R1148 PolarHBondContact O-N 3.04Å; S1146-R1148 VanDerWaalsContact O-N 3.16Å; R1148-N1164 PolarHBondContact O-ND2 2.73Å | ||
| 1149 | P | 82.3 | Confident | 79.9 | Confident | 68 Ų | 68 | 84 Ų | 84 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | trans | -69.1 | 153.7 | 174.8 | 29.3 | -34.8 | 0 | 0 | 0 | 112 | I1151 N1164 | P1149-I1151 PolarHBondContact O-N 3.22Å; P1149-N1164 CarbonylContact C-O 3.57Å; P1149-N1164 VanDerWaalsContact CA-O 3.28Å; P1149-N1164 WeakPolarHBondContact CA-O 3.26Å | ||
| 1150 | C | 86.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 3% | 0.027 | 45% | 0.451 | C | S | . | . | trans | -79 | 101.6 | 177.7 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | C1141 C1155 N1164 R1165 | C1141-C1150 VanDerWaalsContact SG-SG 3.61Å; C1150-C1155 HydrophobicContact CB-CB 4.06Å; C1150-N1164 PolarHBondContact N-ND2 3.02Å; C1150-N1164 PolarHBondContact N-O 2.96Å; C1150-N1164 PolarHBondContact SG-ND2 3.2Å; C1150-R1165 HydrophobicContact CB-CG 4.24Å; C1150-R1165 WeakPolarHBondContact O-CG 3.2Å; C1150-R1165 PolarHBondContact O-NH1 2.8Å | ||
| 1151 | I | 82.3 | Confident | 79.9 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | trans | -73.5 | 136.7 | -178.4 | -53.3 | 175.3 | 0 | 0 | 0 | 111 | P1149 S1153 H1154 C1155 | P1149-I1151 PolarHBondContact O-N 3.22Å; I1151-S1153 VanDerWaalsContact C-N 3.35Å; I1151-S1153 WeakPolarHBondContact CG2-OG 3.3Å; I1151-S1153 PolarHBondContact O-N 2.92Å; I1151-H1154 HydrophobicContact CB-CB 4.39Å; I1151-H1154 PolarHBondContact O-N 2.97Å; I1151-C1155 WeakPolarHBondContact O-CB 3.48Å; I1151-C1155 PolarHBondContact O-N 3.19Å | ||
| 1152 | P | 76 | Confident | 80 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 62% | 0.623 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41.8 | -178.8 | -25 | 32.5 | 0 | 0 | 0 | 115.2 | H1154 R1165 | P1152-H1154 VanDerWaalsContact C-N 3.32Å; P1152-H1154 PolarHBondContact O-N 2.79Å; P1152-R1165 VanDerWaalsContact CA-NH1 3.27Å; P1152-R1165 VanDerWaalsContact N-NH1 3.15Å |
| 1153 | S | 74.2 | Confident | 79.9 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 66% | 0.664 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19 | -178.7 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | I1151 | I1151-S1153 VanDerWaalsContact C-N 3.35Å; I1151-S1153 WeakPolarHBondContact CG2-OG 3.3Å; I1151-S1153 PolarHBondContact O-N 2.92Å |
| 1154 | H | 78.8 | Confident | 79.7 | Confident | 58 Ų | 58 | 82 Ų | 82 | 27% | 0.269 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -15.1 | -171.6 | -70.6 | 66.6 | 0 | 0 | 0 | 113.8 | R1130 I1151 P1152 | R1130-H1154 WeakPolarHBondContact CB-O 3.29Å; R1130-H1154 HydrophobicContact CG-CB 4.45Å; R1130-H1154 WeakPolarHBondContact CG-O 3.43Å; I1151-H1154 HydrophobicContact CB-CB 4.39Å; I1151-H1154 PolarHBondContact O-N 2.97Å; P1152-H1154 VanDerWaalsContact C-N 3.32Å; P1152-H1154 PolarHBondContact O-N 2.79Å |
| 1155 | C | 84 | Confident | 79.6 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.034 | 44% | 0.439 | C | S | . | . | trans | -127.9 | 119.5 | -174.9 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | C1131 C1143 C1150 I1151 C1157 R1165 | C1131-C1155 PolarHBondContact N-SG 2.7Å; C1143-C1155 PolarHBondContact SG-SG 3.34Å; C1150-C1155 HydrophobicContact CB-CB 4.06Å; I1151-C1155 WeakPolarHBondContact O-CB 3.48Å; I1151-C1155 PolarHBondContact O-N 3.19Å; C1155-C1157 PolarHBondContact O-N 3.04Å; C1155-R1165 PolarHBondContact O-NH2 2.99Å | ||
| 1156 | H | 79.2 | Confident | 78.8 | Confident | 147 Ų | 147 | 72.4 Ų | 72.4 | 68% | 0.681 | 43% | 0.425 | S | S | * | . | trans | -77 | 21.8 | 176.1 | -56 | -73 | 0 | 0 | 0 | 113.9 | C1131 K1132 | C1131-H1156 PolarHBondContact O-N 2.96Å; K1132-H1156 HydrophobicContact CG-CB 4.45Å | ||
| 1157 | C | 82.3 | Confident | 76.6 | Confident | 4 Ų | 4 | 77.3 Ų | 77.3 | 3% | 0.027 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 133 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 111 | C1133 C1155 L1159 C1162 R1165 | C1133-C1157 HydrophobicContact CB-CB 4.42Å; C1133-C1157 WeakPolarHBondContact O-CA 3.47Å; C1155-C1157 PolarHBondContact O-N 3.04Å; C1157-L1159 PolarHBondContact O-N 3.48Å; C1157-C1162 HydrophobicContact CB-CB 4.02Å; C1157-C1162 PolarHBondContact SG-SG 3.01Å; C1157-R1165 PolarHBondContact O-NH2 3.31Å; C1157-R1165 VanDerWaalsContact O-NH2 3.07Å; C1157-R1165 VanDerWaalsContact SG-CZ 3.6Å; C1157-R1165 PolarHBondContact SG-NH2 3.49Å |
| 1158 | V | 75.6 | Confident | 74.3 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 42% | 0.418 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -60 | 127 | -172.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | G1160 L1161 C1162 | V1158-G1160 PolarHBondContact O-N 3.09Å; V1158-L1161 HydrophobicContact CB-CB 4.35Å; V1158-L1161 HydrophobicContact CB-CD1 4.19Å; V1158-L1161 HydrophobicContact CG1-CD1 4.07Å; V1158-L1161 HydrophobicContact CG1-CG 4.4Å; V1158-L1161 PolarHBondContact O-N 3.21Å; V1158-C1162 PolarHBondContact O-N 3.36Å |
| 1159 | L | 68 | Low | 71.5 | Confident | 137 Ų | 137 | 76.6 Ų | 76.6 | 72% | 0.717 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 131.9 | 174.8 | -69.9 | 162.8 | 0 | 0 | 0 | 109.3 | C1157 | C1157-L1159 PolarHBondContact O-N 3.48Š|
| 1160 | G | 71.2 | Confident | 68.7 | Low | 85 Ų | 85 | 77.9 Ų | 77.9 | 88% | 0.876 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -22.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V1158 | V1158-G1160 PolarHBondContact O-N 3.09Š|
| 1161 | L | 78.1 | Confident | 65.8 | Low | 90 Ų | 90 | 86.2 Ų | 86.2 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -18.6 | 176.2 | -64.9 | 176.7 | 0 | 0 | 0 | 113.5 | T1136 V1158 K1163 | T1136-L1161 WeakPolarHBondContact CA-O 3.4Å; V1158-L1161 HydrophobicContact CB-CB 4.35Å; V1158-L1161 HydrophobicContact CB-CD1 4.19Å; V1158-L1161 HydrophobicContact CG1-CD1 4.07Å; V1158-L1161 HydrophobicContact CG1-CG 4.4Å; V1158-L1161 PolarHBondContact O-N 3.21Å; L1161-K1163 PolarHBondContact O-N 2.8Å; L1161-K1163 VanDerWaalsContact O-N 3.13Å |
| 1162 | C | 84.6 | Confident | 63.1 | Low | 11 Ų | 11 | 90 Ų | 90 | 7% | 0.074 | 52% | 0.523 | C | S | . | . | trans | -80.7 | 91.9 | -176.2 | -174.9 | 0 | 0 | 0 | 0 | 113.2 | C1137 C1157 V1158 N1164 R1165 | C1137-C1162 PolarHBondContact SG-SG 3.36Å; C1157-C1162 HydrophobicContact CB-CB 4.02Å; C1157-C1162 PolarHBondContact SG-SG 3.01Å; V1158-C1162 PolarHBondContact O-N 3.36Å; C1162-N1164 PolarHBondContact O-N 2.91Å; C1162-R1165 HydrophobicContact CB-CG 4.03Å; C1162-R1165 PolarHBondContact O-N 3.15Å; C1162-R1165 VanDerWaalsContact O-N 3.1Å | ||
| 1163 | K | 79.1 | Confident | 60.5 | Low | 149 Ų | 149 | 90.6 Ų | 90.6 | 65% | 0.648 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 3.7 | 169.4 | -66 | -168.2 | 173.4 | -169.4 | 0 | 116 | T1136 Q1138 L1161 | T1136-K1163 HydrophobicContact CG2-CD 4.17Å; T1136-K1163 HydrophobicContact CG2-CG 4.19Å; Q1138-K1163 HydrophobicContact CG-CD 4.5Å; L1161-K1163 PolarHBondContact O-N 2.8Å; L1161-K1163 VanDerWaalsContact O-N 3.13Å |
| 1164 | N | 82.6 | Confident | 58.1 | Low | 27 Ų | 27 | 95.2 Ų | 95.2 | 14% | 0.144 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 9.7 | 174.4 | -162.3 | 69.2 | 0 | 0 | 0 | 111.7 | C1137 K1144 R1148 P1149 C1150 C1162 | C1137-N1164 HydrophobicContact CB-CB 3.51Å; K1144-N1164 WeakPolarHBondContact CB-OD1 3.42Å; K1144-N1164 WeakPolarHBondContact CG-OD1 3.39Å; R1148-N1164 PolarHBondContact O-ND2 2.73Å; P1149-N1164 CarbonylContact C-O 3.57Å; P1149-N1164 VanDerWaalsContact CA-O 3.28Å; P1149-N1164 WeakPolarHBondContact CA-O 3.26Å; C1150-N1164 PolarHBondContact N-ND2 3.02Å; C1150-N1164 PolarHBondContact N-O 2.96Å; C1150-N1164 PolarHBondContact SG-ND2 3.2Å; C1162-N1164 PolarHBondContact O-N 2.91Å |
| 1165 | R | 82 | Confident | 55.5 | Low | 41 Ų | 41 | 100.1 Ų | 100.1 | 16% | 0.155 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -82.8 | 135.6 | 158.4 | -70.7 | 176.2 | -172.6 | -73.6 | 8.4 | 107 | C1150 P1152 C1155 C1157 C1162 D1167 | C1150-R1165 HydrophobicContact CB-CG 4.24Å; C1150-R1165 WeakPolarHBondContact O-CG 3.2Å; C1150-R1165 PolarHBondContact O-NH1 2.8Å; P1152-R1165 VanDerWaalsContact CA-NH1 3.27Å; P1152-R1165 VanDerWaalsContact N-NH1 3.15Å; C1155-R1165 PolarHBondContact O-NH2 2.99Å; C1157-R1165 PolarHBondContact O-NH2 3.31Å; C1157-R1165 VanDerWaalsContact O-NH2 3.07Å; C1157-R1165 VanDerWaalsContact SG-CZ 3.6Å; C1157-R1165 PolarHBondContact SG-NH2 3.49Å; C1162-R1165 HydrophobicContact CB-CG 4.03Å; C1162-R1165 PolarHBondContact O-N 3.15Å; C1162-R1165 VanDerWaalsContact O-N 3.1Å; R1165-D1167 PolarHBondContact O-N 3.15Å |
| 1166 | S | 62.5 | Low | 52.6 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 57% | 0.566 | 61% | 0.606 | S | S | * | * | trans | -74.1 | 107 | 173.8 | 43.9 | 0 | 0 | 0 | 0 | 109.2 | S1168 | S1166-S1168 PolarHBondContact O-N 3.43Š| ||
| 1167 | D | 37.6 | Very low | 49.9 | Very low | 165 Ų | 165 | 106.1 Ų | 106.1 | 88% | 0.882 | 61% | 0.608 | S | S | * | * | trans | -70.8 | 79.9 | 167.7 | -75 | -33.4 | 0 | 0 | 0 | 108.8 | R1165 | R1165-D1167 PolarHBondContact O-N 3.15Š| ||
| 1168 | S | 30.3 | Very low | 47.1 | Very low | 80 Ų | 80 | 110.8 Ų | 110.8 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | trans | -129.7 | 68.7 | 177.1 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | S1166 S1170 | S1166-S1168 PolarHBondContact O-N 3.43Å; S1168-S1170 PolarHBondContact O-N 2.93Å | ||
| 1169 | S | 24.4 | Very low | 44.4 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | trans | -67.9 | 78.3 | 153.7 | 53.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1170 | S | 24.6 | Very low | 42.5 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 171.5 | 142.8 | 162.5 | 28.6 | 0 | 0 | 0 | 0 | 108.2 | S1168 | S1168-S1170 PolarHBondContact O-N 2.93Š|
| 1171 | E | 23.8 | Very low | 40.1 | Very low | 179 Ų | 179 | 116.7 Ų | 116.7 | 84% | 0.836 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 59.2 | 71.3 | 167.3 | -57.8 | -173 | 172.7 | 0 | 0 | 117.7 | ||
| 1172 | N | 25.6 | Very low | 37.5 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | 178.1 | 81.3 | 104.6 | -89.8 | -48.5 | 0 | 0 | 0 | 112.1 | |||||
| 1173 | S | 21.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -69.1 | 137.2 | 155.9 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1174 | K | 23.2 | Very low | 31.7 | Very low | 192 Ų | 192 | 120.4 Ų | 120.4 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | 92.1 | 112.2 | -164.2 | -59.9 | 165.8 | -177.9 | 177.2 | 0 | 110.3 | ||||
| 1175 | I | 25.9 | Very low | 29 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | cis | -135.5 | 121.7 | 18.6 | -70.1 | 143.9 | 0 | 0 | 0 | 109.4 | ||||
| 1176 | L | 21.5 | Very low | 26 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -148.1 | 86 | 164.7 | -165.2 | 110.2 | 0 | 0 | 0 | 109.5 | ||||
| 1177 | S | 22.4 | Very low | 24.1 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -160.8 | 131.3 | 165.8 | 56 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1178 | S | 23.5 | Very low | 23.6 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 119.7 | 78.1 | 155.2 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1179 | V | 20.7 | Very low | 23.9 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -66.1 | 122.3 | 142.6 | 172.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1180 | D | 26.3 | Very low | 23.9 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -125.8 | 139.1 | 164.3 | -105.3 | -44.3 | 0 | 0 | 0 | 111.2 | ||||
| 1181 | N | 21.6 | Very low | 24 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -92.4 | -176.1 | -172.7 | -78.9 | -58.8 | 0 | 0 | 0 | 111.4 | ||||
| 1182 | S | 24.2 | Very low | 23.7 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 74.3 | 120.1 | 173.5 | 72.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 1183 | A | 19.7 | Very low | 23.8 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | cis | 73 | 145.3 | 40 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1184 | T | 22.6 | Very low | 23.8 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 84 | 132.8 | 158.9 | 10.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1185 | V | 24.8 | Very low | 23.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 104.4 | 120.8 | 143.1 | 173 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1186 | M | 19.6 | Very low | 23.7 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -68 | 150.9 | 167 | -65.1 | -96.8 | -149.9 | 0 | 0 | 112.8 | ||||
| 1187 | G | 22.4 | Very low | 23.8 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -169.7 | 134.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1188 | P | 27 | Very low | 23.8 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -109.3 | -158.1 | 179.6 | 38 | -24.4 | 0 | 0 | 0 | 112 | ||||
| 1189 | P | 35.9 | Very low | 24 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | -124.2 | 166.9 | -69 | 37.6 | -24 | 0 | 0 | 0 | 112.7 | |||||
| 1190 | S | 26 | Very low | 24.2 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | 175.9 | 151.6 | 141.1 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1191 | G | 25.2 | Very low | 24 | Very low | 71 Ų | 71 | 147.7 Ų | 147.7 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | trans | 103.8 | 80.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1192 | F | 18.8 | Very low | 24.2 | Very low | 211 Ų | 211 | 148 Ų | 148 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -66.3 | 133.5 | 151.4 | -89.1 | -93.4 | 0 | 0 | 0 | 109.8 | ||||
| 1193 | P | 26.6 | Very low | 24.2 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | -136.9 | 170.5 | 120.9 | 32.7 | -18.5 | 0 | 0 | 0 | 114.4 | |||||
| 1194 | K | 22.8 | Very low | 24.5 | Very low | 191 Ų | 191 | 153 Ų | 153 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | trans | -90 | 148.8 | -162.4 | -63.7 | 163.5 | 177.7 | 168.6 | 0 | 113.7 | ||||
| 1195 | R | 21.5 | Very low | 24.6 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | 42.3 | 108.8 | 143.2 | -69.6 | 179.2 | 167.6 | 178.5 | -4.5 | 117.9 | ||||
| 1196 | K | 24.1 | Very low | 24.6 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | -176.5 | 131.8 | 94.8 | -100.9 | 178.2 | 179.8 | -180 | 0 | 111.6 | |||||
| 1197 | T | 23.3 | Very low | 24.8 | Very low | 144 Ų | 144 | 156.4 Ų | 156.4 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | trans | -65.2 | 135.2 | 163.2 | 34.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1198 | R | 23.5 | Very low | 25 | Very low | 248 Ų | 248 | 160.5 Ų | 160.5 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | trans | -144.3 | 136.7 | 157.6 | -151.4 | 172.2 | -171.2 | 172.7 | 0.9 | 108.4 | ||||
| 1199 | A | 27.4 | Very low | 24.8 | Very low | 98 Ų | 98 | 162.5 Ų | 162.5 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -60.8 | 146.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1200 | L | 25.8 | Very low | 24.4 | Very low | 179 Ų | 179 | 165.2 Ų | 165.2 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | -69.1 | 142.1 | 170.1 | -83.4 | 162.9 | 0 | 0 | 0 | 110.5 | ||||
| 1201 | H | 21.3 | Very low | 24.3 | Very low | 168 Ų | 168 | 167.7 Ų | 167.7 | 78% | 0.778 | 84% | 0.835 | S | S | * | * | trans | -107.8 | 176.3 | 177.2 | -142.7 | -93.7 | 0 | 0 | 0 | 107.9 | ||||
| 1202 | L | 25.2 | Very low | 24.3 | Very low | 142 Ų | 142 | 172.5 Ų | 172.5 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | trans | 81.3 | 142.8 | 173.9 | -45.8 | 164.5 | 0 | 0 | 0 | 113.7 | ||||
| 1203 | N | 24.9 | Very low | 24.6 | Very low | 124 Ų | 124 | 170 Ų | 170 | 66% | 0.663 | 83% | 0.834 | S | S | * | * | cis | -155 | 131.2 | -7 | -119.3 | -7.8 | 0 | 0 | 0 | 109.9 | ||||
| 1204 | L | 25.4 | Very low | 24.7 | Very low | 180 Ų | 180 | 168.8 Ų | 168.8 | 94% | 0.942 | 84% | 0.835 | S | S | * | * | trans | -92.8 | 112.5 | 165.4 | -87.1 | 148.6 | 0 | 0 | 0 | 108.1 | ||||
| 1205 | N | 25.3 | Very low | 24.9 | Very low | 146 Ų | 146 | 169 Ų | 169 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | trans | -87.5 | 133.9 | 176.4 | -95.4 | -19.5 | 0 | 0 | 0 | 111.1 | ||||
| 1206 | K | 24.1 | Very low | 25.2 | Very low | 180 Ų | 180 | 164.1 Ų | 164.1 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -43 | 136.3 | 174.2 | -57.3 | 161.3 | 177.1 | 178.3 | 0 | 114 | ||||
| 1207 | E | 25.3 | Very low | 25.3 | Very low | 198 Ų | 198 | 163.6 Ų | 163.6 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -120.9 | 144.1 | 133.4 | -72.6 | -169.3 | 143.4 | 0 | 0 | 108.7 | ||||
| 1208 | Q | 24.8 | Very low | 25.3 | Very low | 159 Ų | 159 | 165.4 Ų | 165.4 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | trans | -116.9 | 161.5 | 176.8 | -71.1 | -177.1 | -54.1 | 0 | 0 | 108.7 | ||||
| 1209 | Q | 24.5 | Very low | 25.5 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | 71.9 | 91.8 | 165.2 | -65.1 | 162.6 | -59.1 | 0 | 0 | 116.6 | ||||
| 1210 | N | 27.6 | Very low | 25.6 | Very low | 171 Ų | 171 | 166 Ų | 166 | 91% | 0.914 | 84% | 0.84 | S | S | * | * | -151.2 | 115.9 | 114.1 | -92 | -29.4 | 0 | 0 | 0 | 109.7 | |||||
| 1211 | E | 22.2 | Very low | 25.8 | Very low | 179 Ų | 179 | 163.9 Ų | 163.9 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | trans | -96.6 | 166.9 | 167.1 | -71.8 | -178.9 | 127.6 | 0 | 0 | 109.7 | ||||
| 1212 | H | 25.6 | Very low | 26.1 | Very low | 173 Ų | 173 | 166.3 Ų | 166.3 | 80% | 0.801 | 84% | 0.839 | S | S | * | * | trans | 71.9 | 85.3 | -179.1 | -75.2 | 49.5 | 0 | 0 | 0 | 116.1 | ||||
| 1213 | D | 25.6 | Very low | 26.2 | Very low | 158 Ų | 158 | 166.5 Ų | 166.5 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | S | Bend | 178.2 | 78.3 | 102.2 | -89 | -12.1 | 0 | 0 | 0 | 111.3 | |||
| 1214 | A | 28.7 | Very low | 26.2 | Very low | 98 Ų | 98 | 167.7 Ų | 167.7 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | trans | -157.7 | 52.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1215 | H | 25.9 | Very low | 26.2 | Very low | 194 Ų | 194 | 165.7 Ų | 165.7 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | trans | -130.4 | 40.4 | 178.7 | -115.6 | -53.4 | 0 | 0 | 0 | 114.5 | ||||
| 1216 | T | 28 | Very low | 26.4 | Very low | 133 Ų | 133 | 168.9 Ų | 168.9 | 82% | 0.816 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -151.8 | 97.6 | 160 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1217 | M | 27.3 | Very low | 26.2 | Very low | 192 Ų | 192 | 169 Ų | 169 | 95% | 0.946 | 85% | 0.846 | S | S | * | * | trans | 172.7 | 57.8 | 158.8 | -91.4 | -86 | 153 | 0 | 0 | 109.4 | ||||
| 1218 | M | 23.9 | Very low | 26.3 | Very low | 181 Ų | 181 | 169 Ų | 169 | 89% | 0.892 | 85% | 0.846 | S | S | * | * | trans | -133.1 | 103 | 161 | -90.5 | -163.9 | 178.5 | 0 | 0 | 107.4 | ||||
| 1219 | N | 26.2 | Very low | 26.1 | Very low | 160 Ų | 160 | 166.7 Ų | 166.7 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | 169.4 | 99.3 | 149.9 | -90.5 | -18.4 | 0 | 0 | 0 | 108.9 | ||||
| 1220 | E | 30.8 | Very low | 26.5 | Very low | 200 Ų | 200 | 164.3 Ų | 164.3 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | trans | -153.8 | 117.8 | 137.4 | -115.8 | 165.5 | -146.2 | 0 | 0 | 108.7 | ||||
| 1221 | T | 28.9 | Very low | 26.3 | Very low | 134 Ų | 134 | 161 Ų | 161 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | trans | -87.8 | 140.2 | -168.7 | 25.7 | 0 | 0 | 0 | 0 | 112.3 | D1223 | T1221-D1223 PolarHBondContact O-N 3.49Š| ||
| 1222 | Y | 27.9 | Very low | 26.2 | Very low | 219 Ų | 219 | 158 Ų | 158 | 86% | 0.859 | 84% | 0.843 | S | S | * | * | trans | -55.3 | 123.6 | 166.1 | -79.2 | -106.5 | 0 | 0 | 0 | 111.4 | ||||
| 1223 | D | 28 | Very low | 26 | Very low | 146 Ų | 146 | 157.8 Ų | 157.8 | 78% | 0.781 | 85% | 0.846 | S | S | * | * | trans | -99 | 105.2 | 165.7 | -166.9 | -2.7 | 0 | 0 | 0 | 110.3 | T1221 | T1221-D1223 PolarHBondContact O-N 3.49Š| ||
| 1224 | L | 24.3 | Very low | 25.8 | Very low | 149 Ų | 149 | 154.9 Ų | 154.9 | 78% | 0.78 | 84% | 0.838 | S | S | * | * | trans | -99.3 | 79 | 175.9 | -79.2 | 169.2 | 0 | 0 | 0 | 109.9 | ||||
| 1225 | N | 24.3 | Very low | 25.5 | Very low | 137 Ų | 137 | 158.9 Ų | 158.9 | 73% | 0.733 | 84% | 0.84 | S | S | * | * | trans | -159.5 | 106.9 | 162.7 | -97.5 | -45.2 | 0 | 0 | 0 | 114.1 | ||||
| 1226 | K | 30.3 | Very low | 25.3 | Very low | 213 Ų | 213 | 154.9 Ų | 154.9 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | -160.7 | 86.1 | 146.3 | -112.2 | 161.6 | -170.2 | 174.5 | 0 | 111.6 | ||||
| 1227 | Q | 21 | Very low | 25 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -80.1 | 123.1 | 151.4 | -70.4 | -176.9 | -11.1 | 0 | 0 | 108.2 | ||||
| 1228 | Q | 25.7 | Very low | 24.8 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -158.9 | 123.1 | 150.1 | -114.6 | 167.3 | 28.7 | 0 | 0 | 110.6 | ||||
| 1229 | S | 21.1 | Very low | 24.7 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -110.4 | 178.8 | 167.6 | 56.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1230 | P | 34.4 | Very low | 24.6 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | -124.5 | 157.2 | -50.2 | 33.8 | -21.5 | 0 | 0 | 0 | 110.8 | |||||
| 1231 | A | 22.7 | Very low | 24.3 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -130 | 103.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1232 | S | 19.3 | Very low | 24 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -74.5 | 129.3 | 163.6 | 50.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1233 | I | 22.8 | Very low | 23.7 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -144.3 | 142.6 | 152.2 | -97.2 | 144.1 | 0 | 0 | 0 | 108.2 | ||||
| 1234 | S | 21.4 | Very low | 23.6 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 155.7 | -174.4 | 48.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1235 | E | 21.2 | Very low | 23.8 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -5.1 | 120 | 140.5 | -57.3 | 170.8 | 154.3 | 0 | 0 | 115.6 | ||||
| 1236 | S | 21.6 | Very low | 23.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | 174.1 | 131.8 | 98.2 | 39.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1237 | N | 21.9 | Very low | 23.3 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | 40.6 | 146.5 | 141.8 | -74.7 | 19 | 0 | 0 | 0 | 124.6 | ||||
| 1238 | D | 22.8 | Very low | 23.3 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | 78.7 | 107.6 | 150.2 | -59.7 | -34 | 0 | 0 | 0 | 119 | ||||
| 1239 | N | 23.3 | Very low | 23.3 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | 39 | 113.5 | 126.4 | -49.4 | -49.1 | 0 | 0 | 0 | 116.9 | |||||
| 1240 | D | 23.7 | Very low | 23.5 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | -155.8 | 157 | 100.1 | -110.6 | -25.9 | 0 | 0 | 0 | 114.3 | |||||
| 1241 | D | 23.6 | Very low | 23 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -65.6 | -179.8 | -177 | -147.9 | -19.4 | 0 | 0 | 0 | 114 | ||||
| 1242 | L | 23.1 | Very low | 23.1 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | 93.5 | 106 | 160.6 | -57.3 | 157.6 | 0 | 0 | 0 | 120.9 | ||||
| 1243 | Q | 21.6 | Very low | 23.4 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | 71.8 | 105.4 | 124.1 | -67.9 | 177.2 | 5.8 | 0 | 0 | 120.3 | |||||
| 1244 | S | 25.8 | Very low | 23.7 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 34.9 | 138.1 | 116.9 | 69.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1245 | P | 28.6 | Very low | 23.9 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | -158.6 | 162.2 | 62.7 | 44.6 | -23.9 | 0 | 0 | 0 | 120.4 | |||||
| 1246 | T | 21.7 | Very low | 24.4 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | 59.6 | 107.3 | 137 | 55.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1247 | S | 22.1 | Very low | 24.7 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | 103.5 | 137.3 | 98 | 75.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1248 | N | 21.4 | Very low | 24.9 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | 67.6 | 134 | 148.9 | -62.6 | -15.2 | 0 | 0 | 0 | 116.9 | ||||
| 1249 | S | 26.3 | Very low | 25.4 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -169.1 | 151.8 | 26.5 | 43 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1250 | Q | 23.8 | Very low | 25.6 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 61.7 | 152.1 | 146.8 | -70.5 | 174 | -10.2 | 0 | 0 | 117.2 | ||||
| 1251 | L | 23.8 | Very low | 25.8 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | cis | -161.5 | 164.7 | -7.4 | -96.7 | 160.6 | 0 | 0 | 0 | 104.9 | ||||
| 1252 | S | 26.1 | Very low | 26.1 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | cis | -164.6 | 141.5 | -3.3 | 46.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1253 | D | 24.7 | Very low | 26.2 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 52.9 | 137 | 141.1 | -142.3 | -3.2 | 0 | 0 | 0 | 122.2 | ||||
| 1254 | G | 29.2 | Very low | 26.7 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 172.6 | 82.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1255 | G | 26.1 | Very low | 26.6 | Very low | 76 Ų | 76 | 148 Ų | 148 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1256 | S | 31.1 | Very low | 26.7 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 130.6 | 169.5 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1257 | L | 29 | Very low | 26.9 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 129.5 | -176.3 | -91.6 | 125 | 0 | 0 | 0 | 112.5 | Y1259 | L1257-Y1259 PolarHBondContact O-N 3.1Š|
| 1258 | R | 25.1 | Very low | 27.4 | Very low | 224 Ų | 224 | 157 Ų | 157 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -78.4 | 111.3 | 176.6 | -62.6 | 178.3 | -176.1 | 173.1 | 1.9 | 111.1 | ||||
| 1259 | Y | 34.2 | Very low | 27.7 | Very low | 210 Ų | 210 | 158.6 Ų | 158.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -90.7 | 109 | 156.4 | -79.5 | -82.6 | 0 | 0 | 0 | 110 | L1257 | L1257-Y1259 PolarHBondContact O-N 3.1Š| ||
| 1260 | L | 27.3 | Very low | 27.7 | Very low | 157 Ų | 157 | 159.9 Ų | 159.9 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -83.5 | 115.3 | 176 | -80.2 | 153.7 | 0 | 0 | 0 | 109.8 | ||||
| 1261 | W | 27.6 | Very low | 27.7 | Very low | 230 Ų | 230 | 157.3 Ų | 157.3 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -110.2 | 141.9 | 159.4 | -88.9 | 53.5 | 0 | 0 | 0 | 110.1 | K1263 | W1261-K1263 PolarHBondContact O-N 2.86Š| ||
| 1262 | P | 28.9 | Very low | 27.9 | Very low | 114 Ų | 114 | 154.9 Ų | 154.9 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -80.4 | 125 | -163.3 | -12.3 | 30 | 0 | 0 | 0 | 112.8 | N1264 | P1262-N1264 PolarHBondContact O-N 2.99Š| ||
| 1263 | K | 25.5 | Very low | 27.9 | Very low | 204 Ų | 204 | 157 Ų | 157 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -74.9 | 89.4 | 173.2 | -68.7 | -177.4 | 177 | -178.5 | 0 | 111.2 | W1261 R1265 | W1261-K1263 PolarHBondContact O-N 2.86Å; K1263-R1265 PolarHBondContact O-N 3.13Å | ||
| 1264 | N | 32.7 | Very low | 28.3 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | -73 | 118.9 | 162.8 | -88.5 | -12 | 0 | 0 | 0 | 110 | P1262 | P1262-N1264 PolarHBondContact O-N 2.99Š| ||
| 1265 | R | 23.9 | Very low | 28 | Very low | 237 Ų | 237 | 164.2 Ų | 164.2 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | -75.8 | 125.3 | -176.2 | -61.9 | 171.9 | 174.7 | -175.4 | -3.1 | 110.6 | K1263 | K1263-R1265 PolarHBondContact O-N 3.13Š| ||
| 1266 | L | 30.9 | Very low | 27.9 | Very low | 175 Ų | 175 | 165.5 Ų | 165.5 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -129.4 | 131.1 | 145.7 | -93 | 168.4 | 0 | 0 | 0 | 108.9 | ||||
| 1267 | S | 25.2 | Very low | 27.8 | Very low | 89 Ų | 89 | 167 Ų | 167 | 62% | 0.622 | 82% | 0.816 | S | S | * | * | trans | -92.5 | 137.6 | -170.8 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1268 | Y | 31.8 | Very low | 27.9 | Very low | 238 Ų | 238 | 175 Ų | 175 | 93% | 0.933 | 84% | 0.835 | S | S | * | * | trans | -134 | 140.1 | 147.9 | -100.9 | -85.5 | 0 | 0 | 0 | 110.5 | ||||
| 1269 | F | 28.1 | Very low | 28 | Very low | 189 Ų | 189 | 172.6 Ų | 172.6 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 146.3 | -173.9 | -86.1 | -110.5 | 0 | 0 | 0 | 111.8 | ||
| 1270 | P | 25.8 | Very low | 27.7 | Very low | 119 Ų | 119 | 170.6 Ų | 170.6 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 123.7 | 163.9 | 32 | -30.4 | 0 | 0 | 0 | 109.8 | ||
| 1271 | S | 25.5 | Very low | 27.7 | Very low | 120 Ų | 120 | 171.3 Ų | 171.3 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 132 | 161.9 | -166.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1272 | P | 27.9 | Very low | 27.7 | Very low | 99 Ų | 99 | 167.9 Ų | 167.9 | 64% | 0.643 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 164.4 | -167.9 | 38.5 | -35 | 0 | 0 | 0 | 113.7 | ||
| 1273 | L | 26.3 | Very low | 27.7 | Very low | 139 Ų | 139 | 171.3 Ų | 171.3 | 73% | 0.728 | 84% | 0.839 | S | S | * | * | trans | 63.1 | 95 | 154.3 | -65.7 | 157 | 0 | 0 | 0 | 117.9 | R1275 | L1273-R1275 HydrophobicContact CD2-CG 4.5Š| ||
| 1274 | L | 32.8 | Very low | 27.8 | Very low | 187 Ų | 187 | 169.1 Ų | 169.1 | 98% | 0.979 | 84% | 0.836 | S | S | * | * | trans | -115.1 | 101.7 | 132.1 | -84.5 | 168.7 | 0 | 0 | 0 | 108.6 | ||||
| 1275 | R | 23.1 | Very low | 27.4 | Very low | 208 Ų | 208 | 169.6 Ų | 169.6 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -103.5 | 157 | 168.5 | -113.4 | -174 | 175.1 | -167.2 | -2.4 | 107.8 | L1273 | L1273-R1275 HydrophobicContact CD2-CG 4.5Š| ||
| 1276 | S | 24 | Very low | 27.7 | Very low | 103 Ų | 103 | 164.4 Ų | 164.4 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | trans | 57.3 | 120.4 | 162.3 | 50 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1277 | D | 27.9 | Very low | 27.4 | Very low | 149 Ų | 149 | 163.5 Ų | 163.5 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | -156.1 | 146.9 | 59.6 | -91.8 | -36 | 0 | 0 | 0 | 113.7 | |||||
| 1278 | R | 31.1 | Very low | 27.6 | Very low | 322 Ų | 322 | 170.3 Ų | 170.3 | 100% | 1.215 | 84% | 0.84 | S | S | * | * | trans | 66.4 | 0 | 166.3 | -63.5 | -176.9 | 179.3 | -166.2 | -2 | 117.9 |
Retrieved 1,278 of 1,278 residues in 642.5 ms
(Link to these results)