| 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 | 59.2 | Low | 89.3 | Confident | 148 Ų | 148 | 40.5 Ų | 40.5 | 73% | 0.729 | 22% | 0.22 | S | C | * | . | 0 | 166.6 | 0 | -74.2 | 176.7 | -81.9 | 0 | 0 | 109.4 | V327 | M1-V327 PolarHBondContact N-O 2.93Å; M1-V327 PolarHBondContact O-N 2.88Å | |||
| 2 | S | 74.8 | Confident | 89.7 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 56% | 0.559 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.6 | 172.9 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | N325 | S2-N325 WeakPolarHBondContact CA-O 3.38Å |
| 3 | E | 84.3 | Confident | 89.9 | Confident | 58 Ų | 58 | 42.5 Ų | 42.5 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.9 | -173.4 | -67.2 | -178.9 | 175.5 | 0 | 0 | 110.6 | R293 K324 N325 V327 | E3-R293 IonicContact OE1-CZ 2.79Å; E3-R293 IonicContact OE1-NH1 2.74Å; E3-R293 PolarHBondContact OE1-NH1 3.43Å; E3-R293 IonicContact OE2-CZ 2.8Å; E3-R293 IonicContact OE2-NH1 3.09Å; E3-R293 PolarHBondContact OE2-NH1 3.22Å; E3-K324 CarbonylContact O-C 3.56Å; E3-K324 VanDerWaalsContact O-CA 3.31Å; E3-K324 WeakPolarHBondContact O-CA 3.4Å; E3-N325 PolarHBondContact N-O 3.26Å; E3-N325 PolarHBondContact O-N 2.87Å; E3-V327 HydrophobicContact CB-CG2 4.44Å |
| 4 | S | 89.3 | Confident | 90 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 144.5 | 174.3 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | K6 I323 | S4-K6 PolarHBondContact O-N 3.29Å; S4-I323 VanDerWaalsContact CA-O 3.31Å; S4-I323 WeakPolarHBondContact CA-O 3.2Å |
| 5 | I | 94 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 123.2 | 170.4 | -63.9 | -174.9 | 0 | 0 | 0 | 109.4 | V7 L288 T294 M296 I323 | I5-V7 HydrophobicContact CG2-CG2 4.28Å; I5-V7 PolarHBondContact O-N 3.21Å; I5-L288 HydrophobicContact CD1-CD2 3.66Å; I5-T294 HydrophobicContact CD1-CG2 4.35Å; I5-T294 HydrophobicContact CG1-CG2 4.44Å; I5-T294 HydrophobicContact CG2-CG2 4.12Å; I5-M296 HydrophobicContact CG2-CB 4.3Å; I5-I323 HydrophobicContact CD1-CB 3.82Å; I5-I323 HydrophobicContact CD1-CD1 4.24Å; I5-I323 HydrophobicContact CD1-CG2 3.8Å; I5-I323 HydrophobicContact CG1-CB 4.17Å; I5-I323 HydrophobicContact CG1-CG2 4.26Å; I5-I323 PolarHBondContact N-O 2.8Å |
| 6 | K | 95.2 | Very high | 89.6 | Confident | 69 Ų | 69 | 47.3 Ų | 47.3 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.2 | 178 | -167.3 | -173 | -165.1 | -174.1 | 0 | 108.6 | S4 I8 D47 I62 T294 T295 M296 | S4-K6 PolarHBondContact O-N 3.29Å; K6-I8 HydrophobicContact CD-CD1 4.18Å; K6-I8 HydrophobicContact CG-CD1 4.06Å; K6-D47 HydrophobicContact CG-CB 3.84Å; K6-I62 PolarHBondContact NZ-O 3.15Å; K6-T294 PolarHBondContact N-O 2.71Å; K6-T295 HydrophobicContact CB-CG2 4.48Å; K6-T295 HydrophobicContact CD-CG2 4.48Å; K6-T295 CarbonylContact O-C 3.57Å; K6-T295 VanDerWaalsContact O-CA 3.31Å; K6-T295 WeakPolarHBondContact O-CA 3.33Å; K6-M296 PolarHBondContact O-N 2.79Å |
| 7 | V | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.1 | -179.5 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | I5 F46 D47 M296 I298 K321 | I5-V7 HydrophobicContact CG2-CG2 4.28Å; I5-V7 PolarHBondContact O-N 3.21Å; V7-F46 HydrophobicContact CB-CD1 4.03Å; V7-F46 HydrophobicContact CG1-CD1 3.53Å; V7-F46 HydrophobicContact CG1-CE1 3.87Å; V7-F46 WeakPolarHBondContact O-CB 3.17Å; V7-D47 PolarHBondContact N-OD2 3.42Å; V7-D47 PolarHBondContact O-N 2.99Å; V7-M296 HydrophobicContact CG1-CB 4.32Å; V7-M296 HydrophobicContact CG1-CG 4.5Å; V7-M296 HydrophobicContact CG1-SD 4.38Å; V7-M296 HydrophobicContact CG2-CB 4.11Å; V7-I298 HydrophobicContact CG1-CD1 4.16Å; V7-I298 HydrophobicContact CG1-CG1 4.46Å; V7-I298 HydrophobicContact CG1-CG2 4.31Å; V7-K321 HydrophobicContact CB-CB 4.29Å; V7-K321 HydrophobicContact CG2-CB 3.63Å; V7-K321 HydrophobicContact CG2-CG 4.34Å |
| 8 | I | 97 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.7 | -178.3 | -52.1 | -58.1 | 0 | 0 | 0 | 108.6 | K6 D47 H48 V50 I62 V63 T295 M296 V297 I298 | K6-I8 HydrophobicContact CD-CD1 4.18Å; K6-I8 HydrophobicContact CG-CD1 4.06Å; I8-D47 HydrophobicContact CD1-CB 4.22Å; I8-H48 CarbonylContact C-O 3.49Å; I8-H48 WeakPolarHBondContact CA-O 3.29Å; I8-H48 HydrophobicContact CD1-CB 3.74Å; I8-H48 HydrophobicContact CG2-CB 4.38Å; I8-V50 HydrophobicContact CG2-CG2 3.91Å; I8-I62 HydrophobicContact CD1-CG2 3.81Å; I8-I62 HydrophobicContact CG1-CG2 4.37Å; I8-I62 HydrophobicContact CG2-CG2 4.25Å; I8-V63 HydrophobicContact CB-CG2 4.33Å; I8-V63 HydrophobicContact CG1-CG2 4.16Å; I8-V63 HydrophobicContact CG2-CG2 4.05Å; I8-T295 HydrophobicContact CG1-CG2 3.75Å; I8-M296 PolarHBondContact N-O 3.45Å; I8-V297 CarbonylContact O-C 3.48Å; I8-V297 WeakPolarHBondContact O-CA 3.44Å; I8-I298 PolarHBondContact O-N 3.38Å |
| 9 | C | 97.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.2 | 174.8 | 177 | 0 | 0 | 0 | 0 | 110.2 | F46 H48 V49 V50 I298 | C9-F46 HydrophobicContact CB-CB 4.42Å; C9-F46 HydrophobicContact CB-CD2 3.66Å; C9-F46 HydrophobicContact CB-CE2 4.11Å; C9-F46 HydrophobicContact CB-CG 4Å; C9-H48 PolarHBondContact N-O 2.74Å; C9-V49 HydrophobicContact CB-CG2 4.3Å; C9-V49 CarbonylContact O-C 3.17Å; C9-V49 WeakPolarHBondContact O-CA 3.45Å; C9-V50 PolarHBondContact O-N 3.09Å; C9-I298 HydrophobicContact CB-CD1 4.06Å; C9-I298 HydrophobicContact CB-CG1 3.81Å |
| 10 | R | 97.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.4 | 173.3 | -172.6 | 176.3 | -166.9 | -176 | 10.2 | 110.9 | V50 Q56 T92 V297 I298 C299 C300 | R10-V50 HydrophobicContact CB-CB 4.23Å; R10-V50 HydrophobicContact CG-CB 4.1Å; R10-V50 HydrophobicContact CG-CG1 3.9Å; R10-Q56 VanDerWaalsContact CZ-OE1 3.25Å; R10-T92 WeakPolarHBondContact CD-OG1 3.41Å; R10-T92 PolarHBondContact NH1-OG1 2.92Å; R10-V297 HydrophobicContact CB-CG1 4.35Å; R10-I298 PolarHBondContact N-O 3.28Å; R10-C299 WeakPolarHBondContact O-CA 3.31Å; R10-C300 PolarHBondContact O-N 2.95Å |
| 11 | V | 96.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.6 | 172 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | V27 F29 I37 V50 Q51 P52 C300 P302 | V11-V27 HydrophobicContact CG2-CG1 4.46Å; V11-F29 HydrophobicContact CB-CE1 4.38Å; V11-F29 HydrophobicContact CB-CZ 4.02Å; V11-F29 HydrophobicContact CG1-CZ 4.25Å; V11-F29 HydrophobicContact CG2-CE1 3.81Å; V11-F29 HydrophobicContact CG2-CZ 3.9Å; V11-I37 HydrophobicContact CG2-CD1 3.43Å; V11-I37 VanDerWaalsContact CG2-CD1 3.43Å; V11-V50 PolarHBondContact N-O 3.48Å; V11-Q51 CarbonylContact O-C 3.58Å; V11-P52 HydrophobicContact CB-CG 4.31Å; V11-P52 HydrophobicContact CG1-CG 4.1Å; V11-P52 VanDerWaalsContact O-CA 3.27Å; V11-P52 WeakPolarHBondContact O-CA 3.49Å; V11-C300 HydrophobicContact CG2-CB 4.4Å; V11-P302 HydrophobicContact CG1-CB 3.87Å; V11-P302 HydrophobicContact CG1-CG 4.24Å |
| 12 | R | 94.5 | Very high | 89.8 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 164.9 | 175.7 | 63.6 | 153.5 | 175.5 | 71.5 | -3.5 | 112 | N15 E18 S86 S87 C300 S301 P302 | R12-N15 PolarHBondContact NH2-ND2 2.96Å; R12-E18 IonicContact CZ-OE1 2.58Å; R12-E18 IonicContact CZ-OE2 2.72Å; R12-E18 IonicContact NH1-OE1 3.86Å; R12-E18 PolarHBondContact NH1-OE1 2.97Å; R12-E18 IonicContact NH1-OE2 2.65Å; R12-E18 PolarHBondContact NH1-OE2 3.37Å; R12-E18 IonicContact NH2-OE1 2.69Å; R12-E18 PolarHBondContact NH2-OE1 3.47Å; R12-E18 IonicContact NH2-OE2 3.59Å; R12-E18 PolarHBondContact NH2-OE2 3.45Å; R12-S86 VanDerWaalsContact CZ-O 3.26Å; R12-S86 PolarHBondContact NE-O 3.33Å; R12-S86 PolarHBondContact NH2-O 3.3Å; R12-S87 WeakPolarHBondContact CG-O 3.35Å; R12-C300 PolarHBondContact N-O 3.37Å; R12-S301 PolarHBondContact NH2-OG 2.73Å; R12-P302 VanDerWaalsContact O-CD 3.27Å; R12-P302 WeakPolarHBondContact O-CD 3.33Å; R12-P302 WeakPolarHBondContact O-CG 3.36Å |
| 13 | P | 92.7 | Very high | 90.4 | Very high | 74 Ų | 74 | 54 Ų | 54 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 162.7 | 163.6 | -24.2 | 34.6 | 0 | 0 | 0 | 112.5 | N15 P52 | P13-N15 PolarHBondContact O-N 2.97Å; P13-P52 HydrophobicContact CG-CB 4.08Å; P13-P52 WeakPolarHBondContact CG-O 3.39Å |
| 14 | L | 90.5 | Very high | 90.6 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 132.9 | 162.5 | -67.2 | 168.8 | 0 | 0 | 0 | 109 | E18 K19 S23 F25 P302 A303 | L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.38Å; L14-E18 HydrophobicContact CD2-CB 4.09Å; L14-K19 HydrophobicContact CB-CG 4.18Å; L14-K19 WeakPolarHBondContact O-CE 3.36Å; L14-S23 WeakPolarHBondContact CD1-O 3.04Å; L14-F25 HydrophobicContact CD1-CB 4.44Å; L14-F25 HydrophobicContact CD1-CD2 4.42Å; L14-F25 HydrophobicContact CG-CD2 4.23Å; L14-P302 HydrophobicContact CD2-CG 3.93Å; L14-P302 HydrophobicContact CG-CG 4.22Å; L14-A303 HydrophobicContact CD2-CB 3.7Å |
| 15 | N | 88.3 | Confident | 90.7 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 168.8 | 173.2 | 72.2 | 32.5 | 0 | 0 | 0 | 110.7 | R12 P13 L17 E18 K19 | R12-N15 PolarHBondContact NH2-ND2 2.96Å; P13-N15 PolarHBondContact O-N 2.97Å; N15-L17 VanDerWaalsContact C-N 3.28Å; N15-L17 PolarHBondContact O-N 2.86Å; N15-L17 PolarHBondContact OD1-N 3.31Å; N15-E18 PolarHBondContact N-OE2 2.98Å; N15-E18 PolarHBondContact O-N 3.04Å; N15-E18 VanDerWaalsContact O-N 3.14Å; N15-E18 WeakPolarHBondContact OD1-CB 3.49Å; N15-E18 WeakPolarHBondContact OD1-CG 3.4Å; N15-E18 PolarHBondContact OD1-N 3.37Å; N15-K19 WeakPolarHBondContact O-CG 3.32Å; N15-K19 PolarHBondContact O-N 2.96Å |
| 16 | D | 86.4 | Confident | 90.7 | Very high | 115 Ų | 115 | 62.4 Ų | 62.4 | 62% | 0.615 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69.5 | -25.8 | -171.4 | -54.4 | -61.1 | 0 | 0 | 0 | 113.5 | K19 A20 | D16-K19 WeakPolarHBondContact OD1-CE 3.46Å; D16-K19 IonicContact OD1-NZ 2.73Å; D16-K19 PolarHBondContact OD1-NZ 3.4Å; D16-A20 VanDerWaalsContact O-CB 3.28Å; D16-A20 WeakPolarHBondContact O-CB 3.31Å; D16-A20 PolarHBondContact O-N 2.83Å |
| 17 | L | 84.7 | Confident | 90.6 | Very high | 124 Ų | 124 | 59.7 Ų | 59.7 | 65% | 0.649 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.4 | -39.4 | 171 | -176.8 | 66.1 | 0 | 0 | 0 | 111.9 | N15 A20 N21 | N15-L17 VanDerWaalsContact C-N 3.28Å; N15-L17 PolarHBondContact O-N 2.86Å; N15-L17 PolarHBondContact OD1-N 3.31Å; L17-A20 PolarHBondContact O-N 3.24Å; L17-N21 WeakPolarHBondContact O-CB 3.47Å; L17-N21 PolarHBondContact O-N 2.91Å; L17-N21 VanDerWaalsContact O-N 3.1Å; L17-N21 PolarHBondContact O-ND2 2.88Å |
| 18 | E | 88.5 | Confident | 90.4 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 174.2 | -72.5 | 164.7 | 167.3 | 0 | 0 | 111 | R12 L14 N15 N21 D22 S23 S301 A303 | R12-E18 IonicContact CZ-OE1 2.58Å; R12-E18 IonicContact CZ-OE2 2.72Å; R12-E18 IonicContact NH1-OE1 3.86Å; R12-E18 PolarHBondContact NH1-OE1 2.97Å; R12-E18 IonicContact NH1-OE2 2.65Å; R12-E18 PolarHBondContact NH1-OE2 3.37Å; R12-E18 IonicContact NH2-OE1 2.69Å; R12-E18 PolarHBondContact NH2-OE1 3.47Å; R12-E18 IonicContact NH2-OE2 3.59Å; R12-E18 PolarHBondContact NH2-OE2 3.45Å; L14-E18 WeakPolarHBondContact CA-OE2 3.38Å; L14-E18 HydrophobicContact CB-CB 4.38Å; L14-E18 HydrophobicContact CD2-CB 4.09Å; N15-E18 PolarHBondContact N-OE2 2.98Å; N15-E18 PolarHBondContact O-N 3.04Å; N15-E18 VanDerWaalsContact O-N 3.14Å; N15-E18 WeakPolarHBondContact OD1-CB 3.49Å; N15-E18 WeakPolarHBondContact OD1-CG 3.4Å; N15-E18 PolarHBondContact OD1-N 3.37Å; E18-N21 CarbonylContact O-C 3.6Å; E18-N21 PolarHBondContact O-N 3.46Å; E18-D22 PolarHBondContact O-N 2.87Å; E18-S23 WeakPolarHBondContact O-CB 3.33Å; E18-S23 PolarHBondContact O-N 3.21Å; E18-S23 PolarHBondContact O-OG 3.46Å; E18-S301 PolarHBondContact OE1-OG 3.39Å; E18-A303 HydrophobicContact CB-CB 4.33Å; E18-A303 HydrophobicContact CG-CB 3.83Å |
| 19 | K | 86 | Confident | 90.3 | Very high | 114 Ų | 114 | 65 Ų | 65 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 172.3 | -65 | 171.7 | -157.9 | 163.2 | 0 | 111.6 | L14 N15 D16 N21 D22 | L14-K19 HydrophobicContact CB-CG 4.18Å; L14-K19 WeakPolarHBondContact O-CE 3.36Å; N15-K19 WeakPolarHBondContact O-CG 3.32Å; N15-K19 PolarHBondContact O-N 2.96Å; D16-K19 WeakPolarHBondContact OD1-CE 3.46Å; D16-K19 IonicContact OD1-NZ 2.73Å; D16-K19 PolarHBondContact OD1-NZ 3.4Å; K19-N21 PolarHBondContact O-N 3.38Å; K19-D22 PolarHBondContact O-N 3.31Å |
| 20 | A | 83.5 | Confident | 89.9 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -23.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D16 L17 | D16-A20 VanDerWaalsContact O-CB 3.28Å; D16-A20 WeakPolarHBondContact O-CB 3.31Å; D16-A20 PolarHBondContact O-N 2.83Å; L17-A20 PolarHBondContact O-N 3.24Å |
| 21 | N | 86 | Confident | 89.4 | Confident | 109 Ų | 109 | 70 Ų | 70 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 21.1 | 174.1 | -69.9 | -58.5 | 0 | 0 | 0 | 113.1 | L17 E18 K19 S23 | L17-N21 WeakPolarHBondContact O-CB 3.47Å; L17-N21 PolarHBondContact O-N 2.91Å; L17-N21 VanDerWaalsContact O-N 3.1Å; L17-N21 PolarHBondContact O-ND2 2.88Å; E18-N21 CarbonylContact O-C 3.6Å; E18-N21 PolarHBondContact O-N 3.46Å; K19-N21 PolarHBondContact O-N 3.38Å; N21-S23 PolarHBondContact O-N 3.03Å |
| 22 | D | 83 | Confident | 88.8 | Confident | 147 Ų | 147 | 74.4 Ų | 74.4 | 79% | 0.786 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 33.4 | -178.9 | -78.9 | -45.9 | 0 | 0 | 0 | 114.5 | E18 K19 K24 | E18-D22 PolarHBondContact O-N 2.87Å; K19-D22 PolarHBondContact O-N 3.31Å; D22-K24 PolarHBondContact O-N 2.84Å |
| 23 | S | 86.1 | Confident | 88.4 | Confident | 20 Ų | 20 | 73 Ų | 73 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | trans | -73.1 | 102.6 | -171.7 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | L14 E18 N21 | L14-S23 WeakPolarHBondContact CD1-O 3.04Å; E18-S23 WeakPolarHBondContact O-CB 3.33Å; E18-S23 PolarHBondContact O-N 3.21Å; E18-S23 PolarHBondContact O-OG 3.46Å; N21-S23 PolarHBondContact O-N 3.03Å | ||
| 24 | K | 88.7 | Confident | 88.3 | Confident | 165 Ų | 165 | 75.1 Ų | 75.1 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | trans | -53.4 | 138.4 | 179.9 | -60.4 | -177.7 | -177.9 | -179.8 | 0 | 112 | D22 V26 A304 | D22-K24 PolarHBondContact O-N 2.84Å; K24-V26 PolarHBondContact O-N 2.9Å; K24-A304 HydrophobicContact CB-CB 4.4Å; K24-A304 PolarHBondContact O-N 3.47Å | ||
| 25 | F | 92.2 | Very high | 88.4 | Confident | 89 Ų | 89 | 76.5 Ų | 76.5 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 108.3 | 170.9 | -164.1 | -76.1 | 0 | 0 | 0 | 108.8 | L14 V27 F29 P52 P302 | L14-F25 HydrophobicContact CD1-CB 4.44Å; L14-F25 HydrophobicContact CD1-CD2 4.42Å; L14-F25 HydrophobicContact CG-CD2 4.23Å; F25-V27 HydrophobicContact CD1-CB 4.36Å; F25-V27 VanDerWaalsContact CD1-O 3.3Å; F25-V27 WeakPolarHBondContact CD1-O 3.32Å; F25-V27 HydrophobicContact CE1-CB 3.84Å; F25-V27 HydrophobicContact CE1-CG1 4.37Å; F25-V27 WeakPolarHBondContact CE1-O 3.34Å; F25-F29 HydrophobicContact CE1-CE2 4.26Å; F25-F29 HydrophobicContact CZ-CE2 4.2Å; F25-P52 HydrophobicContact CE2-CG 3.97Å; F25-P52 HydrophobicContact CZ-CG 3.83Å; F25-P302 CarbonylContact C-O 3.55Å; F25-P302 WeakPolarHBondContact CA-O 3.4Å; F25-P302 HydrophobicContact CD1-CB 4.14Å; F25-P302 HydrophobicContact CD2-CB 3.5Å; F25-P302 VanDerWaalsContact CD2-CB 3.5Å; F25-P302 HydrophobicContact CD2-CG 3.65Å; F25-P302 HydrophobicContact CE1-CB 3.98Å; F25-P302 HydrophobicContact CE2-CB 3.31Å; F25-P302 HydrophobicContact CE2-CG 3.46Å; F25-P302 VanDerWaalsContact CE2-CG 3.46Å; F25-P302 HydrophobicContact CG-CB 3.9Å; F25-P302 HydrophobicContact CG-CG 4.48Å; F25-P302 HydrophobicContact CZ-CB 3.56Å; F25-P302 HydrophobicContact CZ-CG 4.16Å |
| 26 | V | 92.4 | Very high | 88.7 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | trans | -102 | 1.2 | -172.4 | -64.2 | 0 | 0 | 0 | 0 | 114.8 | K24 I39 P302 A304 D307 | K24-V26 PolarHBondContact O-N 2.9Å; V26-I39 HydrophobicContact CG2-CD1 3.97Å; V26-I39 HydrophobicContact CG2-CG1 4.22Å; V26-P302 WeakPolarHBondContact CG2-O 3.48Å; V26-P302 PolarHBondContact N-O 2.61Å; V26-A304 HydrophobicContact CG1-CB 3.67Å; V26-D307 HydrophobicContact CG2-CB 4.39Å | ||
| 27 | V | 93.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 145.6 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | V11 F25 F29 I37 S38 I39 P302 | V11-V27 HydrophobicContact CG2-CG1 4.46Å; F25-V27 HydrophobicContact CD1-CB 4.36Å; F25-V27 VanDerWaalsContact CD1-O 3.3Å; F25-V27 WeakPolarHBondContact CD1-O 3.32Å; F25-V27 HydrophobicContact CE1-CB 3.84Å; F25-V27 HydrophobicContact CE1-CG1 4.37Å; F25-V27 WeakPolarHBondContact CE1-O 3.34Å; V27-F29 HydrophobicContact CG1-CE1 3.9Å; V27-F29 HydrophobicContact CG1-CE2 4.14Å; V27-F29 HydrophobicContact CG1-CZ 3.67Å; V27-I37 HydrophobicContact CG1-CD1 3.69Å; V27-I37 HydrophobicContact CG1-CG1 3.58Å; V27-S38 WeakPolarHBondContact CA-O 3.36Å; V27-I39 HydrophobicContact CG2-CD1 4.11Å; V27-I39 HydrophobicContact CG2-CG1 4.46Å; V27-P302 HydrophobicContact CB-CB 4.35Å; V27-P302 HydrophobicContact CG2-CB 4.22Å |
| 28 | S | 93 | Very high | 89.5 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 166 | 163.8 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | S38 | S28-S38 PolarHBondContact N-O 3.2Å; S28-S38 PolarHBondContact O-N 3.04Å; S28-S38 WeakPolarHBondContact OG-CB 3.25Å |
| 29 | F | 94.5 | Very high | 89.7 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 21% | 0.211 | 36% | 0.361 | C | S | . | . | trans | -124.3 | 92.5 | -172 | -59.5 | -73.9 | 0 | 0 | 0 | 109.7 | V11 F25 V27 I37 V49 Q51 | V11-F29 HydrophobicContact CB-CE1 4.38Å; V11-F29 HydrophobicContact CB-CZ 4.02Å; V11-F29 HydrophobicContact CG1-CZ 4.25Å; V11-F29 HydrophobicContact CG2-CE1 3.81Å; V11-F29 HydrophobicContact CG2-CZ 3.9Å; F25-F29 HydrophobicContact CE1-CE2 4.26Å; F25-F29 HydrophobicContact CZ-CE2 4.2Å; V27-F29 HydrophobicContact CG1-CE1 3.9Å; V27-F29 HydrophobicContact CG1-CE2 4.14Å; V27-F29 HydrophobicContact CG1-CZ 3.67Å; F29-I37 HydrophobicContact CD1-CG1 4.31Å; F29-I37 HydrophobicContact CE1-CD1 4.26Å; F29-I37 HydrophobicContact CE1-CG1 4.11Å; F29-V49 HydrophobicContact CD1-CG1 3.74Å; F29-V49 HydrophobicContact CE1-CG1 3.74Å; F29-Q51 HydrophobicContact CD1-CG 4.06Å; F29-Q51 HydrophobicContact CD2-CG 4.24Å; F29-Q51 HydrophobicContact CE1-CG 4.12Å; F29-Q51 HydrophobicContact CE2-CG 4.3Å; F29-Q51 HydrophobicContact CG-CG 4.13Å; F29-Q51 HydrophobicContact CZ-CG 4.24Å | ||
| 30 | P | 89.5 | Confident | 89.8 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 24% | 0.24 | 37% | 0.368 | C | S | . | . | trans | -67.9 | 155.2 | -178.8 | -21 | 33.7 | 0 | 0 | 0 | 113.6 | D32 G33 A36 | P30-D32 PolarHBondContact O-N 2.71Å; P30-G33 PolarHBondContact O-N 2.67Å; P30-G33 VanDerWaalsContact O-N 3.09Å; P30-A36 HydrophobicContact CB-CB 4.21Å; P30-A36 HydrophobicContact CG-CB 4.36Å | ||
| 31 | G | 86.1 | Confident | 89.9 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 91% | 0.907 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -123.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G33 | G31-G33 PolarHBondContact O-N 3.25Š|
| 32 | D | 85.6 | Confident | 90.3 | Very high | 95 Ų | 95 | 62 Ų | 62 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -11.4 | 174.1 | 70.1 | -8.7 | 0 | 0 | 0 | 113.4 | P30 K34 T35 | P30-D32 PolarHBondContact O-N 2.71Å; D32-K34 PolarHBondContact O-N 2.82Å; D32-K34 PolarHBondContact OD1-N 2.8Å; D32-T35 PolarHBondContact OD1-N 2.89Å; D32-T35 VanDerWaalsContact OD1-N 3.13Å; D32-T35 PolarHBondContact OD1-OG1 3.49Å |
| 33 | G | 84.8 | Confident | 90.8 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 62.6 | 12.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P30 G31 Q51 | P30-G33 PolarHBondContact O-N 2.67Å; P30-G33 VanDerWaalsContact O-N 3.09Å; G31-G33 PolarHBondContact O-N 3.25Å; G33-Q51 PolarHBondContact O-NE2 3.49Å |
| 34 | K | 90.7 | Very high | 91.2 | Very high | 118 Ų | 118 | 59 Ų | 59 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -106.7 | -14.7 | 175.8 | -59.4 | -176.1 | 178.2 | -174.3 | 0 | 112.9 | D32 H48 V49 | D32-K34 PolarHBondContact O-N 2.82Å; D32-K34 PolarHBondContact OD1-N 2.8Å; K34-H48 CarbonylContact O-C 3.55Å; K34-H48 VanDerWaalsContact O-CA 3.3Å; K34-H48 WeakPolarHBondContact O-CA 3.34Å; K34-V49 PolarHBondContact O-N 3.1Å |
| 35 | T | 93.3 | Very high | 91.5 | Very high | 68 Ų | 68 | 56 Ų | 56 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -121.3 | -26.9 | -177.1 | 54 | 0 | 0 | 0 | 0 | 113.9 | D32 N45 F46 | D32-T35 PolarHBondContact OD1-N 2.89Å; D32-T35 VanDerWaalsContact OD1-N 3.13Å; D32-T35 PolarHBondContact OD1-OG1 3.49Å; T35-N45 WeakPolarHBondContact O-CA 3.12Å; T35-F46 PolarHBondContact O-N 3.24Å |
| 36 | A | 94.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P30 F44 | P30-A36 HydrophobicContact CB-CB 4.21Å; P30-A36 HydrophobicContact CG-CB 4.36Å; A36-F44 WeakPolarHBondContact CA-O 3.22Å |
| 37 | I | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141 | 171.4 | -174.6 | 179.8 | 0 | 0 | 0 | 108.9 | V11 V27 F29 N43 F44 F46 V49 L314 | V11-I37 HydrophobicContact CG2-CD1 3.43Å; V11-I37 VanDerWaalsContact CG2-CD1 3.43Å; V27-I37 HydrophobicContact CG1-CD1 3.69Å; V27-I37 HydrophobicContact CG1-CG1 3.58Å; F29-I37 HydrophobicContact CD1-CG1 4.31Å; F29-I37 HydrophobicContact CE1-CD1 4.26Å; F29-I37 HydrophobicContact CE1-CG1 4.11Å; I37-N43 CarbonylContact O-C 3.49Å; I37-N43 WeakPolarHBondContact O-CA 3.33Å; I37-F44 HydrophobicContact CG2-CB 3.91Å; I37-F44 PolarHBondContact N-O 3.26Å; I37-F44 PolarHBondContact O-N 2.84Å; I37-F46 HydrophobicContact CG2-CD2 3.9Å; I37-F46 HydrophobicContact CG2-CE2 3.63Å; I37-V49 HydrophobicContact CB-CG1 4.14Å; I37-V49 HydrophobicContact CB-CG2 4.4Å; I37-L314 HydrophobicContact CD1-CD1 4.49Å; I37-L314 HydrophobicContact CD1-CD2 4.16Å; I37-L314 HydrophobicContact CG2-CD2 3.8Å |
| 38 | S | 93.5 | Very high | 92 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.6 | 179.4 | -166 | 0 | 0 | 0 | 0 | 111.1 | V27 S28 K42 N43 | V27-S38 WeakPolarHBondContact CA-O 3.36Å; S28-S38 PolarHBondContact N-O 3.2Å; S28-S38 PolarHBondContact O-N 3.04Å; S28-S38 WeakPolarHBondContact OG-CB 3.25Å; S38-K42 VanDerWaalsContact CA-O 3.3Å; S38-K42 WeakPolarHBondContact CA-O 3.46Å; S38-K42 PolarHBondContact OG-O 3.46Å; S38-N43 WeakPolarHBondContact CB-OD1 3.24Å; S38-N43 PolarHBondContact OG-OD1 2.98Å |
| 39 | I | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 128.7 | 174.3 | -170.6 | 173.8 | 0 | 0 | 0 | 110.3 | V26 V27 G41 K42 F44 D307 T310 K311 L314 | V26-I39 HydrophobicContact CG2-CD1 3.97Å; V26-I39 HydrophobicContact CG2-CG1 4.22Å; V27-I39 HydrophobicContact CG2-CD1 4.11Å; V27-I39 HydrophobicContact CG2-CG1 4.46Å; I39-G41 PolarHBondContact O-N 3.49Å; I39-K42 PolarHBondContact N-O 3.34Å; I39-K42 PolarHBondContact O-N 2.91Å; I39-K42 VanDerWaalsContact O-N 3.16Å; I39-F44 HydrophobicContact CG2-CD2 4.37Å; I39-F44 HydrophobicContact CG2-CE2 3.71Å; I39-F44 HydrophobicContact CG2-CZ 4.45Å; I39-D307 HydrophobicContact CD1-CB 4.46Å; I39-D307 WeakPolarHBondContact CD1-OD1 3.48Å; I39-D307 WeakPolarHBondContact CG1-OD1 3.48Å; I39-T310 HydrophobicContact CD1-CG2 3.7Å; I39-K311 HydrophobicContact CD1-CG 4.39Å; I39-K311 HydrophobicContact CG2-CG 3.72Å; I39-L314 HydrophobicContact CG2-CD1 3.66Å |
| 40 | G | 87.5 | Confident | 92.2 | Very high | 62 Ų | 62 | 49.2 Ų | 49.2 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 33.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | K42 | G40-K42 VanDerWaalsContact C-N 3.32Å; G40-K42 PolarHBondContact O-N 3.34Å |
| 41 | G | 87.3 | Confident | 92.5 | Very high | 73 Ų | 73 | 51 Ų | 51 | 75% | 0.753 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I39 | I39-G41 PolarHBondContact O-N 3.49Š|
| 42 | K | 92.6 | Very high | 92.8 | Very high | 142 Ų | 142 | 48.4 Ų | 48.4 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130.7 | 171.6 | -68.6 | -169.9 | 177.1 | -171.9 | 0 | 110.6 | S38 I39 G40 F44 | S38-K42 VanDerWaalsContact CA-O 3.3Å; S38-K42 WeakPolarHBondContact CA-O 3.46Å; S38-K42 PolarHBondContact OG-O 3.46Å; I39-K42 PolarHBondContact N-O 3.34Å; I39-K42 PolarHBondContact O-N 2.91Å; I39-K42 VanDerWaalsContact O-N 3.16Å; G40-K42 VanDerWaalsContact C-N 3.32Å; G40-K42 PolarHBondContact O-N 3.34Å; K42-F44 HydrophobicContact CB-CE2 3.71Å; K42-F44 HydrophobicContact CB-CZ 4.14Å; K42-F44 WeakPolarHBondContact O-CD2 3.38Å; K42-F44 WeakPolarHBondContact O-CE2 3.43Å |
| 43 | N | 93.4 | Very high | 93.1 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 141.5 | 175.6 | -63.5 | -4.6 | 0 | 0 | 0 | 110.4 | I37 S38 | I37-N43 CarbonylContact O-C 3.49Å; I37-N43 WeakPolarHBondContact O-CA 3.33Å; S38-N43 WeakPolarHBondContact CB-OD1 3.24Å; S38-N43 PolarHBondContact OG-OD1 2.98Å |
| 44 | F | 95.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.3 | -179.8 | -57.1 | -107.8 | 0 | 0 | 0 | 108.2 | A36 I37 I39 K42 F46 L314 M315 M318 | A36-F44 WeakPolarHBondContact CA-O 3.22Å; I37-F44 HydrophobicContact CG2-CB 3.91Å; I37-F44 PolarHBondContact N-O 3.26Å; I37-F44 PolarHBondContact O-N 2.84Å; I39-F44 HydrophobicContact CG2-CD2 4.37Å; I39-F44 HydrophobicContact CG2-CE2 3.71Å; I39-F44 HydrophobicContact CG2-CZ 4.45Å; K42-F44 HydrophobicContact CB-CE2 3.71Å; K42-F44 HydrophobicContact CB-CZ 4.14Å; K42-F44 WeakPolarHBondContact O-CD2 3.38Å; K42-F44 WeakPolarHBondContact O-CE2 3.43Å; F44-F46 HydrophobicContact CB-CD2 4.46Å; F44-F46 HydrophobicContact CB-CE2 3.52Å; F44-F46 HydrophobicContact CB-CZ 3.94Å; F44-L314 HydrophobicContact CD1-CB 3.49Å; F44-L314 VanDerWaalsContact CD1-CB 3.49Å; F44-L314 HydrophobicContact CD2-CB 4.38Å; F44-L314 HydrophobicContact CD2-CD1 4.09Å; F44-L314 HydrophobicContact CE1-CB 3.61Å; F44-L314 HydrophobicContact CE2-CD1 4.16Å; F44-L314 HydrophobicContact CG-CB 3.92Å; F44-L314 HydrophobicContact CG-CD1 4.36Å; F44-L314 HydrophobicContact CZ-CB 4.14Å; F44-L314 HydrophobicContact CZ-CD1 4.46Å; F44-M315 HydrophobicContact CE1-CG 3.94Å; F44-M315 HydrophobicContact CE1-SD 3.72Å; F44-M315 HydrophobicContact CZ-SD 4.43Å; F44-M318 HydrophobicContact CB-SD 4Å; F44-M318 HydrophobicContact CD1-CG 4.16Å; F44-M318 HydrophobicContact CD1-SD 3.46Å; F44-M318 WeakPolarHBondContact CD1-SD 3.46Å; F44-M318 HydrophobicContact CE1-SD 4.34Å; F44-M318 HydrophobicContact CG-SD 4.08Å |
| 45 | N | 94.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 52.4 Ų | 52.4 | 55% | 0.545 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.2 | -174 | -65 | -6.7 | 0 | 0 | 0 | 110.8 | T35 | T35-N45 WeakPolarHBondContact O-CA 3.12Å |
| 46 | F | 96.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | trans | -130 | 176 | -173.2 | -65.6 | -68.8 | 0 | 0 | 0 | 111.3 | V7 C9 T35 I37 F44 V49 I298 L314 M318 K321 | V7-F46 HydrophobicContact CB-CD1 4.03Å; V7-F46 HydrophobicContact CG1-CD1 3.53Å; V7-F46 HydrophobicContact CG1-CE1 3.87Å; V7-F46 WeakPolarHBondContact O-CB 3.17Å; C9-F46 HydrophobicContact CB-CB 4.42Å; C9-F46 HydrophobicContact CB-CD2 3.66Å; C9-F46 HydrophobicContact CB-CE2 4.11Å; C9-F46 HydrophobicContact CB-CG 4Å; T35-F46 PolarHBondContact O-N 3.24Å; I37-F46 HydrophobicContact CG2-CD2 3.9Å; I37-F46 HydrophobicContact CG2-CE2 3.63Å; F44-F46 HydrophobicContact CB-CD2 4.46Å; F44-F46 HydrophobicContact CB-CE2 3.52Å; F44-F46 HydrophobicContact CB-CZ 3.94Å; F46-V49 HydrophobicContact CB-CG2 4.22Å; F46-V49 HydrophobicContact CD2-CG2 4.19Å; F46-I298 HydrophobicContact CD1-CD1 4.14Å; F46-I298 HydrophobicContact CE1-CD1 3.52Å; F46-I298 HydrophobicContact CE2-CD1 4.16Å; F46-I298 HydrophobicContact CZ-CD1 3.53Å; F46-L314 HydrophobicContact CE2-CD2 3.63Å; F46-L314 HydrophobicContact CZ-CB 4.33Å; F46-L314 HydrophobicContact CZ-CD2 3.89Å; F46-M318 HydrophobicContact CE1-CG 4.04Å; F46-M318 HydrophobicContact CZ-CG 3.99Å; F46-K321 VanDerWaalsContact C-NZ 3.31Å | ||
| 47 | D | 95.5 | Very high | 93.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.5 | -28.3 | 176.5 | -59.6 | -71.5 | 0 | 0 | 0 | 111.8 | K6 V7 I8 K321 | K6-D47 HydrophobicContact CG-CB 3.84Å; V7-D47 PolarHBondContact N-OD2 3.42Å; V7-D47 PolarHBondContact O-N 2.99Å; I8-D47 HydrophobicContact CD1-CB 4.22Å; D47-K321 VanDerWaalsContact OD1-CE 3.26Å; D47-K321 WeakPolarHBondContact OD1-CE 3.16Å; D47-K321 IonicContact OD1-NZ 3.46Å; D47-K321 PolarHBondContact OD1-NZ 3.17Å; D47-K321 WeakPolarHBondContact OD2-CD 3.44Å; D47-K321 WeakPolarHBondContact OD2-CE 3.27Å; D47-K321 IonicContact OD2-NZ 3.55Å; D47-K321 PolarHBondContact OD2-NZ 2.86Å |
| 48 | H | 95.9 | Very high | 93.8 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 152 | 157.7 | -154.3 | -79.8 | 0 | 0 | 0 | 110.6 | I8 C9 K34 I62 | I8-H48 CarbonylContact C-O 3.49Å; I8-H48 WeakPolarHBondContact CA-O 3.29Å; I8-H48 HydrophobicContact CD1-CB 3.74Å; I8-H48 HydrophobicContact CG2-CB 4.38Å; C9-H48 PolarHBondContact N-O 2.74Å; K34-H48 CarbonylContact O-C 3.55Å; K34-H48 VanDerWaalsContact O-CA 3.3Å; K34-H48 WeakPolarHBondContact O-CA 3.34Å; H48-I62 HydrophobicContact CB-CG2 3.72Å |
| 49 | V | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 111 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | C9 F29 K34 I37 F46 | C9-V49 HydrophobicContact CB-CG2 4.3Å; C9-V49 CarbonylContact O-C 3.17Å; C9-V49 WeakPolarHBondContact O-CA 3.45Å; F29-V49 HydrophobicContact CD1-CG1 3.74Å; F29-V49 HydrophobicContact CE1-CG1 3.74Å; K34-V49 PolarHBondContact O-N 3.1Å; I37-V49 HydrophobicContact CB-CG1 4.14Å; I37-V49 HydrophobicContact CB-CG2 4.4Å; F46-V49 HydrophobicContact CB-CG2 4.22Å; F46-V49 HydrophobicContact CD2-CG2 4.19Å |
| 50 | V | 96 | Very high | 94.1 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.8 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | I8 C9 R10 V11 A54 V59 I62 | I8-V50 HydrophobicContact CG2-CG2 3.91Å; C9-V50 PolarHBondContact O-N 3.09Å; R10-V50 HydrophobicContact CB-CB 4.23Å; R10-V50 HydrophobicContact CG-CB 4.1Å; R10-V50 HydrophobicContact CG-CG1 3.9Å; V11-V50 PolarHBondContact N-O 3.48Å; V50-A54 HydrophobicContact CG1-CB 3.47Å; V50-A54 VanDerWaalsContact CG1-CB 3.47Å; V50-V59 HydrophobicContact CB-CG2 4.5Å; V50-V59 HydrophobicContact CG1-CG2 3.56Å; V50-V59 HydrophobicContact CG2-CG2 4.27Å; V50-I62 HydrophobicContact CG2-CD1 4.38Å |
| 51 | Q | 94.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -78.4 | 161.9 | -178.7 | -64.8 | -176 | 25.9 | 0 | 0 | 112.4 | V11 F29 G33 K53 A54 | V11-Q51 CarbonylContact O-C 3.58Å; F29-Q51 HydrophobicContact CD1-CG 4.06Å; F29-Q51 HydrophobicContact CD2-CG 4.24Å; F29-Q51 HydrophobicContact CE1-CG 4.12Å; F29-Q51 HydrophobicContact CE2-CG 4.3Å; F29-Q51 HydrophobicContact CG-CG 4.13Å; F29-Q51 HydrophobicContact CZ-CG 4.24Å; G33-Q51 PolarHBondContact O-NE2 3.49Å; Q51-K53 PolarHBondContact O-N 3.1Å; Q51-A54 WeakPolarHBondContact O-CB 3.42Å; Q51-A54 PolarHBondContact O-N 3.48Å | ||
| 52 | P | 92.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.1 | -176.7 | -30.2 | 37.1 | 0 | 0 | 0 | 117.3 | V11 P13 F25 | V11-P52 HydrophobicContact CB-CG 4.31Å; V11-P52 HydrophobicContact CG1-CG 4.1Å; V11-P52 VanDerWaalsContact O-CA 3.27Å; V11-P52 WeakPolarHBondContact O-CA 3.49Å; P13-P52 HydrophobicContact CG-CB 4.08Å; P13-P52 WeakPolarHBondContact CG-O 3.39Å; F25-P52 HydrophobicContact CE2-CG 3.97Å; F25-P52 HydrophobicContact CZ-CG 3.83Å |
| 53 | K | 91.2 | Very high | 94.9 | Very high | 203 Ų | 203 | 50.2 Ų | 50.2 | 88% | 0.883 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.4 | 179 | -65.9 | -174 | 177.2 | -176.8 | 0 | 113.9 | Q51 | Q51-K53 PolarHBondContact O-N 3.1Š|
| 54 | A | 93.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | trans | -75.4 | 137.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V50 Q51 E58 | V50-A54 HydrophobicContact CG1-CB 3.47Å; V50-A54 VanDerWaalsContact CG1-CB 3.47Å; Q51-A54 WeakPolarHBondContact O-CB 3.42Å; Q51-A54 PolarHBondContact O-N 3.48Å; A54-E58 WeakPolarHBondContact CA-OE2 3.42Å | ||
| 55 | T | 94.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 44% | 0.436 | 25% | 0.247 | S | C | . | . | trans | -71.3 | 163.3 | 179.3 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | L57 E58 V59 | T55-L57 PolarHBondContact O-N 3.09Å; T55-E58 WeakPolarHBondContact CB-OE2 3.38Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.49Å; T55-E58 PolarHBondContact N-OE2 3.39Å; T55-E58 WeakPolarHBondContact OG1-CG 3.41Å; T55-E58 PolarHBondContact OG1-N 3.03Å; T55-E58 VanDerWaalsContact OG1-N 3.15Å; T55-E58 PolarHBondContact OG1-OE2 3.41Å; T55-V59 WeakPolarHBondContact O-CG2 3.21Å; T55-V59 PolarHBondContact O-N 3.33Å | ||
| 56 | Q | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -29.3 | 172.5 | -62 | -80.1 | 75.5 | 0 | 0 | 112.4 | R10 Y60 F91 F102 Q103 | R10-Q56 VanDerWaalsContact CZ-OE1 3.25Å; Q56-Y60 WeakPolarHBondContact O-CB 3.35Å; Q56-Y60 PolarHBondContact O-N 3.49Å; Q56-F91 HydrophobicContact CG-CE1 4.44Å; Q56-F91 HydrophobicContact CG-CZ 4.32Å; Q56-F91 PolarHBondContact NE2-O 3.45Å; Q56-F102 PolarHBondContact NE2-O 3.1Å; Q56-Q103 WeakPolarHBondContact CB-O 3.34Å |
| 57 | L | 95.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 45% | 0.445 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68 | -50.3 | 177.7 | 179.8 | 60.2 | 0 | 0 | 0 | 111.3 | T55 V59 Y60 E61 | T55-L57 PolarHBondContact O-N 3.09Å; L57-V59 PolarHBondContact O-N 2.95Å; L57-Y60 WeakPolarHBondContact O-CA 3.45Å; L57-Y60 WeakPolarHBondContact O-CB 3.4Å; L57-Y60 PolarHBondContact O-N 3.34Å; L57-E61 HydrophobicContact CD1-CG 4.36Å; L57-E61 WeakPolarHBondContact O-CG 3.37Å; L57-E61 PolarHBondContact O-N 3.27Å |
| 58 | E | 95 | Very high | 94.4 | Very high | 92 Ų | 92 | 44.8 Ų | 44.8 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -39.5 | 176 | -70.8 | 161.9 | 119.2 | 0 | 0 | 111.5 | A54 T55 E61 I62 | A54-E58 WeakPolarHBondContact CA-OE2 3.42Å; T55-E58 WeakPolarHBondContact CB-OE2 3.38Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.49Å; T55-E58 PolarHBondContact N-OE2 3.39Å; T55-E58 WeakPolarHBondContact OG1-CG 3.41Å; T55-E58 PolarHBondContact OG1-N 3.03Å; T55-E58 VanDerWaalsContact OG1-N 3.15Å; T55-E58 PolarHBondContact OG1-OE2 3.41Å; E58-E61 PolarHBondContact O-N 3.1Å; E58-I62 WeakPolarHBondContact O-CB 3.24Å; E58-I62 WeakPolarHBondContact O-CD1 3.27Å; E58-I62 VanDerWaalsContact O-CG1 3.22Å; E58-I62 WeakPolarHBondContact O-CG1 3.43Å; E58-I62 PolarHBondContact O-N 2.97Å; E58-I62 VanDerWaalsContact O-N 3.1Å |
| 59 | V | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | V50 T55 L57 E61 I62 V63 T92 V105 | V50-V59 HydrophobicContact CB-CG2 4.5Å; V50-V59 HydrophobicContact CG1-CG2 3.56Å; V50-V59 HydrophobicContact CG2-CG2 4.27Å; T55-V59 WeakPolarHBondContact O-CG2 3.21Å; T55-V59 PolarHBondContact O-N 3.33Å; L57-V59 PolarHBondContact O-N 2.95Å; V59-E61 PolarHBondContact O-N 3.36Å; V59-I62 PolarHBondContact O-N 2.95Å; V59-V63 HydrophobicContact CG1-CG2 3.94Å; V59-V63 WeakPolarHBondContact O-CB 3.37Å; V59-V63 WeakPolarHBondContact O-CG2 3.33Å; V59-V63 PolarHBondContact O-N 3.24Å; V59-T92 HydrophobicContact CG1-CG2 3.89Å; V59-V105 HydrophobicContact CG1-CG2 4.38Å |
| 60 | Y | 96.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 175.9 | 172.4 | -101.5 | 0 | 0 | 0 | 112.4 | Q56 L57 I62 V63 A64 K65 R108 I109 D112 | Q56-Y60 WeakPolarHBondContact O-CB 3.35Å; Q56-Y60 PolarHBondContact O-N 3.49Å; L57-Y60 WeakPolarHBondContact O-CA 3.45Å; L57-Y60 WeakPolarHBondContact O-CB 3.4Å; L57-Y60 PolarHBondContact O-N 3.34Å; Y60-I62 VanDerWaalsContact C-N 3.33Å; Y60-I62 PolarHBondContact O-N 2.76Å; Y60-V63 PolarHBondContact O-N 3.11Å; Y60-A64 HydrophobicContact CD2-CB 3.68Å; Y60-A64 HydrophobicContact CE2-CB 3.63Å; Y60-A64 PolarHBondContact O-N 3.48Å; Y60-K65 HydrophobicContact CD1-CB 4.42Å; Y60-K65 HydrophobicContact CE1-CB 3.86Å; Y60-K65 HydrophobicContact CE1-CD 4.22Å; Y60-K65 HydrophobicContact CE1-CG 4.18Å; Y60-K65 PolarHBondContact O-N 3.3Å; Y60-K65 VanDerWaalsContact O-N 3.09Å; Y60-R108 HydrophobicContact CD1-CB 4.16Å; Y60-R108 HydrophobicContact CD2-CB 3.41Å; Y60-R108 VanDerWaalsContact CD2-CB 3.41Å; Y60-R108 HydrophobicContact CD2-CG 4.46Å; Y60-R108 HydrophobicContact CE1-CB 4.4Å; Y60-R108 HydrophobicContact CE2-CB 3.72Å; Y60-R108 HydrophobicContact CG-CB 3.68Å; Y60-R108 HydrophobicContact CG-CG 4.36Å; Y60-I109 HydrophobicContact CD2-CG1 4.46Å; Y60-I109 HydrophobicContact CE2-CG1 3.73Å; Y60-D112 WeakPolarHBondContact OH-CB 3.48Å; Y60-D112 VanDerWaalsContact OH-CG 3.28Å; Y60-D112 PolarHBondContact OH-OD2 2.99Å |
| 61 | E | 95.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -35.9 | -179.8 | -62.6 | -158.4 | 114.8 | 0 | 0 | 112.7 | L57 E58 V59 K65 | L57-E61 HydrophobicContact CD1-CG 4.36Å; L57-E61 WeakPolarHBondContact O-CG 3.37Å; L57-E61 PolarHBondContact O-N 3.27Å; E58-E61 PolarHBondContact O-N 3.1Å; V59-E61 PolarHBondContact O-N 3.36Å; E61-K65 HydrophobicContact CB-CD 4.32Å; E61-K65 HydrophobicContact CG-CD 3.96Å; E61-K65 IonicContact OE1-NZ 3.76Å; E61-K65 PolarHBondContact OE1-NZ 3.12Å |
| 62 | I | 93.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -76.4 | -40.2 | 178.2 | -67.9 | 164.4 | 0 | 0 | 0 | 112.2 | K6 I8 H48 V50 E58 V59 Y60 | K6-I62 PolarHBondContact NZ-O 3.15Å; I8-I62 HydrophobicContact CD1-CG2 3.81Å; I8-I62 HydrophobicContact CG1-CG2 4.37Å; I8-I62 HydrophobicContact CG2-CG2 4.25Å; H48-I62 HydrophobicContact CB-CG2 3.72Å; V50-I62 HydrophobicContact CG2-CD1 4.38Å; E58-I62 WeakPolarHBondContact O-CB 3.24Å; E58-I62 WeakPolarHBondContact O-CD1 3.27Å; E58-I62 VanDerWaalsContact O-CG1 3.22Å; E58-I62 WeakPolarHBondContact O-CG1 3.43Å; E58-I62 PolarHBondContact O-N 2.97Å; E58-I62 VanDerWaalsContact O-N 3.1Å; V59-I62 PolarHBondContact O-N 2.95Å; Y60-I62 VanDerWaalsContact C-N 3.33Å; Y60-I62 PolarHBondContact O-N 2.76Å |
| 63 | V | 93.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -88.9 | -47.1 | -170.2 | 171.6 | 0 | 0 | 0 | 0 | 112.7 | I8 V59 Y60 I79 V105 T295 V297 | I8-V63 HydrophobicContact CB-CG2 4.33Å; I8-V63 HydrophobicContact CG1-CG2 4.16Å; I8-V63 HydrophobicContact CG2-CG2 4.05Å; V59-V63 HydrophobicContact CG1-CG2 3.94Å; V59-V63 WeakPolarHBondContact O-CB 3.37Å; V59-V63 WeakPolarHBondContact O-CG2 3.33Å; V59-V63 PolarHBondContact O-N 3.24Å; Y60-V63 PolarHBondContact O-N 3.11Å; V63-I79 HydrophobicContact CG1-CD1 4.33Å; V63-I79 HydrophobicContact CG1-CG2 3.67Å; V63-V105 HydrophobicContact CG1-CG2 4.47Å; V63-T295 HydrophobicContact CG1-CG2 3.95Å; V63-T295 PolarHBondContact O-OG1 2.82Å; V63-V297 HydrophobicContact CB-CG2 4.39Å; V63-V297 HydrophobicContact CG1-CG2 3.59Å; V63-V297 HydrophobicContact CG2-CG2 3.79Å |
| 64 | A | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122 | -39.4 | -154.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y60 P66 I67 V68 I79 V105 I109 | Y60-A64 HydrophobicContact CD2-CB 3.68Å; Y60-A64 HydrophobicContact CE2-CB 3.63Å; Y60-A64 PolarHBondContact O-N 3.48Å; A64-P66 VanDerWaalsContact C-CD 3.41Å; A64-P66 VanDerWaalsContact C-N 3.3Å; A64-P66 VanDerWaalsContact O-N 3.16Å; A64-I67 WeakPolarHBondContact O-CA 3.41Å; A64-I67 PolarHBondContact O-N 3.31Å; A64-V68 PolarHBondContact O-N 2.89Å; A64-I79 HydrophobicContact CB-CD1 3.66Å; A64-V105 HydrophobicContact CB-CG1 3.69Å; A64-I109 HydrophobicContact CB-CD1 3.92Å; A64-I109 HydrophobicContact CB-CG1 3.94Å |
| 65 | K | 93.5 | Very high | 93.7 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 40% | 0.4 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -49.8 | -38.7 | -178.9 | -169.8 | 169.4 | 178.6 | 171.2 | 0 | 114.4 | Y60 E61 | Y60-K65 HydrophobicContact CD1-CB 4.42Å; Y60-K65 HydrophobicContact CE1-CB 3.86Å; Y60-K65 HydrophobicContact CE1-CD 4.22Å; Y60-K65 HydrophobicContact CE1-CG 4.18Å; Y60-K65 PolarHBondContact O-N 3.3Å; Y60-K65 VanDerWaalsContact O-N 3.09Å; E61-K65 HydrophobicContact CB-CD 4.32Å; E61-K65 HydrophobicContact CG-CD 3.96Å; E61-K65 IonicContact OE1-NZ 3.76Å; E61-K65 PolarHBondContact OE1-NZ 3.12Å |
| 66 | P | 91.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 39% | 0.39 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66 | -42.3 | 172.4 | -20.9 | 34.2 | 0 | 0 | 0 | 113.4 | A64 V68 A69 D70 | A64-P66 VanDerWaalsContact C-CD 3.41Å; A64-P66 VanDerWaalsContact C-N 3.3Å; A64-P66 VanDerWaalsContact O-N 3.16Å; P66-V68 VanDerWaalsContact C-N 3.32Å; P66-V68 PolarHBondContact O-N 3.46Å; P66-A69 PolarHBondContact O-N 3.02Å; P66-D70 PolarHBondContact O-N 3.21Å; P66-D70 VanDerWaalsContact O-N 3.16Å |
| 67 | I | 93.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 5% | 0.046 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -33.2 | -178.8 | -70.1 | 176 | 0 | 0 | 0 | 111.3 | A64 D70 V71 I79 L225 T295 | A64-I67 WeakPolarHBondContact O-CA 3.41Å; A64-I67 PolarHBondContact O-N 3.31Å; I67-D70 PolarHBondContact O-N 2.95Å; I67-V71 HydrophobicContact CG2-CG2 3.98Å; I67-V71 WeakPolarHBondContact O-CB 3.45Å; I67-V71 VanDerWaalsContact O-CG2 3.25Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 3.33Å; I67-I79 HydrophobicContact CD1-CD1 4.26Å; I67-I79 HydrophobicContact CD1-CG1 3.78Å; I67-L225 HydrophobicContact CG2-CD1 3.71Å; I67-T295 WeakPolarHBondContact CD1-OG1 3.42Å |
| 68 | V | 93.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -49.7 | 174.9 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | A64 P66 D70 V71 L72 I109 D112 I113 | A64-V68 PolarHBondContact O-N 2.89Å; P66-V68 VanDerWaalsContact C-N 3.32Å; P66-V68 PolarHBondContact O-N 3.46Å; V68-D70 VanDerWaalsContact C-N 3.31Å; V68-D70 PolarHBondContact O-N 3.37Å; V68-V71 PolarHBondContact O-N 3.42Å; V68-L72 HydrophobicContact CG1-CD1 4.2Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 3.33Å; V68-L72 VanDerWaalsContact O-N 3.14Å; V68-I109 HydrophobicContact CG2-CB 4.31Å; V68-I109 HydrophobicContact CG2-CG1 3.93Å; V68-I109 HydrophobicContact CG2-CG2 4.12Å; V68-D112 HydrophobicContact CG1-CB 4.34Å; V68-I113 HydrophobicContact CG1-CG1 3.81Å; V68-I113 HydrophobicContact CG2-CG1 4.5Å |
| 69 | A | 90.2 | Very high | 93.9 | Very high | 38 Ų | 38 | 24.9 Ų | 24.9 | 31% | 0.314 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | P66 N73 | P66-A69 PolarHBondContact O-N 3.02Å; A69-N73 PolarHBondContact O-N 3.13Å; A69-N73 PolarHBondContact O-ND2 3.33Å |
| 70 | D | 92.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 25 Ų | 25 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 177 | -80.3 | -57.7 | 0 | 0 | 0 | 113.7 | P66 I67 V68 L72 N73 G74 Y75 R293 | P66-D70 PolarHBondContact O-N 3.21Å; P66-D70 VanDerWaalsContact O-N 3.16Å; I67-D70 PolarHBondContact O-N 2.95Å; V68-D70 VanDerWaalsContact C-N 3.31Å; V68-D70 PolarHBondContact O-N 3.37Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.24Å; D70-N73 CarbonylContact O-C 3.59Å; D70-N73 WeakPolarHBondContact O-CA 3.38Å; D70-N73 PolarHBondContact O-N 3.34Å; D70-G74 PolarHBondContact O-N 2.98Å; D70-Y75 HydrophobicContact CB-CD2 3.95Å; D70-Y75 HydrophobicContact CB-CG 4.46Å; D70-Y75 WeakPolarHBondContact O-CB 3.23Å; D70-Y75 WeakPolarHBondContact O-CD2 3.44Å; D70-Y75 PolarHBondContact O-N 3.31Å; D70-Y75 WeakPolarHBondContact OD1-CD2 3.26Å; D70-R293 VanDerWaalsContact CG-CZ 3.48Å; D70-R293 IonicContact OD1-CZ 3.96Å; D70-R293 IonicContact OD1-NE 2.71Å; D70-R293 PolarHBondContact OD1-NE 3.06Å; D70-R293 IonicContact OD1-NH2 2.67Å; D70-R293 PolarHBondContact OD1-NH2 3.25Å; D70-R293 WeakPolarHBondContact OD2-CD 3.45Å; D70-R293 IonicContact OD2-CZ 3.77Å; D70-R293 IonicContact OD2-NE 3.06Å; D70-R293 PolarHBondContact OD2-NE 2.94Å; D70-R293 VanDerWaalsContact OD2-NE 3.11Å; D70-R293 IonicContact OD2-NH2 2.96Å |
| 71 | V | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 178.1 | 166.3 | 0 | 0 | 0 | 0 | 111.3 | I67 V68 N73 G74 Y75 V210 L225 | I67-V71 HydrophobicContact CG2-CG2 3.98Å; I67-V71 WeakPolarHBondContact O-CB 3.45Å; I67-V71 VanDerWaalsContact O-CG2 3.25Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 3.33Å; V68-V71 PolarHBondContact O-N 3.42Å; V71-N73 VanDerWaalsContact C-N 3.27Å; V71-N73 PolarHBondContact O-N 2.76Å; V71-G74 PolarHBondContact O-N 2.94Å; V71-G74 VanDerWaalsContact O-N 3.16Å; V71-Y75 WeakPolarHBondContact CA-O 3.44Å; V71-V210 HydrophobicContact CG1-CG2 4.15Å; V71-L225 HydrophobicContact CG1-CB 4.14Å; V71-L225 HydrophobicContact CG2-CB 3.99Å; V71-L225 HydrophobicContact CG2-CD1 4.24Å; V71-L225 HydrophobicContact CG2-CD2 4.36Å; V71-L225 HydrophobicContact CG2-CG 4.42Å |
| 72 | L | 91.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.4 | -29.9 | 172.9 | -67.7 | 169.1 | 0 | 0 | 0 | 112.4 | V68 D70 G74 I113 H116 I117 M120 F126 V210 Q212 | V68-L72 HydrophobicContact CG1-CD1 4.2Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 3.33Å; V68-L72 VanDerWaalsContact O-N 3.14Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.24Å; L72-G74 PolarHBondContact O-N 2.91Å; L72-I113 HydrophobicContact CD2-CG2 4.41Å; L72-H116 HydrophobicContact CD1-CB 3.43Å; L72-H116 VanDerWaalsContact CD1-CB 3.43Å; L72-I117 HydrophobicContact CD2-CD1 4Å; L72-I117 HydrophobicContact CD2-CG1 3.92Å; L72-M120 HydrophobicContact CB-CE 4.22Å; L72-M120 HydrophobicContact CD1-CE 4.08Å; L72-F126 HydrophobicContact CD2-CE1 4.44Å; L72-V210 HydrophobicContact CD2-CG1 4.42Å; L72-Q212 PolarHBondContact O-OE1 3.36Å; L72-Q212 VanDerWaalsContact O-OE1 3.05Å |
| 73 | N | 91.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 19 Ų | 19 | 50% | 0.503 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 14.1 | 174 | -77.8 | -84.6 | 0 | 0 | 0 | 113.8 | A69 D70 V71 Y75 | A69-N73 PolarHBondContact O-N 3.13Å; A69-N73 PolarHBondContact O-ND2 3.33Å; D70-N73 CarbonylContact O-C 3.59Å; D70-N73 WeakPolarHBondContact O-CA 3.38Å; D70-N73 PolarHBondContact O-N 3.34Å; V71-N73 VanDerWaalsContact C-N 3.27Å; V71-N73 PolarHBondContact O-N 2.76Å; N73-Y75 HydrophobicContact CB-CD2 4.32Å; N73-Y75 HydrophobicContact CB-CE2 4.43Å |
| 74 | G | 92.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 20.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D70 V71 L72 H222 N330 | D70-G74 PolarHBondContact O-N 2.98Å; V71-G74 PolarHBondContact O-N 2.94Å; V71-G74 VanDerWaalsContact O-N 3.16Å; L72-G74 PolarHBondContact O-N 2.91Å; G74-H222 CarbonylContact C-O 3.5Å; G74-N330 PolarHBondContact O-N 3.38Å; G74-N330 PolarHBondContact O-ND2 2.87Å |
| 75 | Y | 94.7 | Very high | 93.5 | Very high | 47 Ų | 47 | 21.3 Ų | 21.3 | 18% | 0.184 | 11% | 0.114 | C | C | . | . | trans | -88.4 | 153 | 166.1 | -64.9 | -76.4 | 0 | 0 | 0 | 111.1 | D70 V71 N73 G223 V327 V329 | D70-Y75 HydrophobicContact CB-CD2 3.95Å; D70-Y75 HydrophobicContact CB-CG 4.46Å; D70-Y75 WeakPolarHBondContact O-CB 3.23Å; D70-Y75 WeakPolarHBondContact O-CD2 3.44Å; D70-Y75 PolarHBondContact O-N 3.31Å; D70-Y75 WeakPolarHBondContact OD1-CD2 3.26Å; V71-Y75 WeakPolarHBondContact CA-O 3.44Å; N73-Y75 HydrophobicContact CB-CD2 4.32Å; N73-Y75 HydrophobicContact CB-CE2 4.43Å; Y75-G223 VanDerWaalsContact O-CA 3.32Å; Y75-G223 WeakPolarHBondContact O-CA 3.43Å; Y75-V327 HydrophobicContact CD1-CG1 3.46Å; Y75-V327 VanDerWaalsContact CD1-CG1 3.46Å; Y75-V327 HydrophobicContact CE1-CG1 3.79Å; Y75-V327 HydrophobicContact CG-CG1 4.32Å; Y75-V329 HydrophobicContact CD1-CG2 4.03Å; Y75-V329 HydrophobicContact CE1-CB 4.35Å; Y75-V329 HydrophobicContact CE1-CG2 3.4Å; Y75-V329 VanDerWaalsContact CE1-CG2 3.4Å; Y75-V329 HydrophobicContact CE2-CG2 3.96Å | ||
| 76 | N | 95 | Very high | 93.2 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | trans | -76.8 | 140.7 | 163.7 | -69.9 | -28.6 | 0 | 0 | 0 | 110.4 | K224 E286 N291 A292 R293 N330 | N76-K224 CarbonylContact C-O 3.54Å; N76-K224 WeakPolarHBondContact CA-O 3.31Å; N76-K224 WeakPolarHBondContact OD1-CB 3.4Å; N76-K224 PolarHBondContact OD1-N 2.9Å; N76-E286 PolarHBondContact ND2-OE1 3.35Å; N76-N291 VanDerWaalsContact CB-O 3.25Å; N76-N291 WeakPolarHBondContact CB-O 3.35Å; N76-N291 PolarHBondContact ND2-O 3.44Å; N76-A292 HydrophobicContact CB-CB 3.74Å; N76-A292 CarbonylContact O-C 3.6Å; N76-A292 WeakPolarHBondContact O-CA 3.41Å; N76-R293 PolarHBondContact O-N 3.13Å; N76-N330 PolarHBondContact OD1-ND2 2.88Å | ||
| 77 | G | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 151.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K224 L225 Y226 R293 | G77-K224 PolarHBondContact N-O 3.48Å; G77-L225 WeakPolarHBondContact O-CA 3.43Å; G77-Y226 PolarHBondContact O-N 3.29Å; G77-R293 CarbonylContact C-O 3.53Å; G77-R293 WeakPolarHBondContact CA-O 3.42Å |
| 78 | T | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 133.8 | 169.2 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | F80 Y226 L284 S287 R293 T294 T295 | T78-F80 HydrophobicContact CG2-CD1 3.44Å; T78-F80 VanDerWaalsContact CG2-CD1 3.44Å; T78-F80 HydrophobicContact CG2-CE1 3.78Å; T78-F80 HydrophobicContact CG2-CG 4.49Å; T78-Y226 CarbonylContact C-O 3.57Å; T78-Y226 WeakPolarHBondContact CA-O 3.48Å; T78-L284 HydrophobicContact CG2-CD2 4.42Å; T78-S287 WeakPolarHBondContact CG2-OG 3.24Å; T78-S287 PolarHBondContact OG1-OG 3.03Å; T78-R293 PolarHBondContact N-O 3.38Å; T78-T294 HydrophobicContact CG2-CG2 4.33Å; T78-T294 WeakPolarHBondContact O-CA 3.35Å; T78-T295 PolarHBondContact O-N 3.43Å |
| 79 | I | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.6 | 171.4 | -58.7 | 167.1 | 0 | 0 | 0 | 107.3 | V63 A64 I67 M93 V105 I109 Y226 L227 V228 T295 V297 | V63-I79 HydrophobicContact CG1-CD1 4.33Å; V63-I79 HydrophobicContact CG1-CG2 3.67Å; A64-I79 HydrophobicContact CB-CD1 3.66Å; I67-I79 HydrophobicContact CD1-CD1 4.26Å; I67-I79 HydrophobicContact CD1-CG1 3.78Å; I79-M93 HydrophobicContact CB-CE 4.49Å; I79-M93 HydrophobicContact CG2-CE 4.1Å; I79-M93 HydrophobicContact CG2-SD 4.09Å; I79-V105 HydrophobicContact CD1-CG1 4.23Å; I79-I109 HydrophobicContact CD1-CD1 3.7Å; I79-Y226 PolarHBondContact N-O 3.05Å; I79-L227 HydrophobicContact CB-CD2 3.97Å; I79-L227 HydrophobicContact CD1-CD2 3.94Å; I79-L227 HydrophobicContact CG1-CD2 4.28Å; I79-L227 WeakPolarHBondContact O-CA 3.49Å; I79-V228 PolarHBondContact O-N 2.98Å; I79-T295 WeakPolarHBondContact CA-O 3.34Å; I79-V297 HydrophobicContact CG2-CG2 4.33Å |
| 80 | F | 92 | Very high | 93.4 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.8 | 174.9 | 43.1 | -114.1 | 0 | 0 | 0 | 112.7 | T78 V228 L284 L288 T294 T295 M296 V297 | T78-F80 HydrophobicContact CG2-CD1 3.44Å; T78-F80 VanDerWaalsContact CG2-CD1 3.44Å; T78-F80 HydrophobicContact CG2-CE1 3.78Å; T78-F80 HydrophobicContact CG2-CG 4.49Å; F80-V228 VanDerWaalsContact CA-O 3.31Å; F80-V228 WeakPolarHBondContact CA-O 3.2Å; F80-V228 HydrophobicContact CB-CB 3.93Å; F80-V228 HydrophobicContact CB-CG1 4.43Å; F80-L284 HydrophobicContact CD1-CD2 4.27Å; F80-L288 HydrophobicContact CE1-CD2 4.12Å; F80-L288 HydrophobicContact CZ-CD2 3.78Å; F80-T294 HydrophobicContact CD1-CG2 4.36Å; F80-T294 HydrophobicContact CE1-CG2 3.39Å; F80-T294 HydrophobicContact CE2-CG2 4.4Å; F80-T294 HydrophobicContact CZ-CG2 3.4Å; F80-T295 PolarHBondContact N-O 3.13Å; F80-M296 HydrophobicContact CD2-CB 4.06Å; F80-M296 HydrophobicContact CD2-CE 4.33Å; F80-M296 HydrophobicContact CD2-CG 3.92Å; F80-M296 HydrophobicContact CE2-CB 3.53Å; F80-M296 HydrophobicContact CE2-CE 3.5Å; F80-M296 VanDerWaalsContact CE2-CE 3.5Å; F80-M296 HydrophobicContact CE2-CG 3.63Å; F80-M296 HydrophobicContact CE2-SD 4.43Å; F80-M296 HydrophobicContact CZ-CB 4.5Å; F80-M296 HydrophobicContact CZ-CE 4.29Å; F80-V297 PolarHBondContact O-N 3.42Å |
| 81 | A | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | K89 M93 V228 L230 V297 | A81-K89 HydrophobicContact CB-CB 3.81Å; A81-K89 HydrophobicContact CB-CD 4.46Å; A81-K89 HydrophobicContact CB-CG 4.37Å; A81-M93 HydrophobicContact CB-CG 3.68Å; A81-M93 HydrophobicContact CB-SD 4.01Å; A81-V228 PolarHBondContact N-O 3Å; A81-L230 WeakPolarHBondContact O-CB 3.41Å; A81-L230 WeakPolarHBondContact O-CG 3.25Å; A81-L230 PolarHBondContact O-N 2.85Å; A81-V297 CarbonylContact C-O 3.59Å; A81-V297 WeakPolarHBondContact CA-O 3.13Å |
| 82 | Y | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 5% | 0.051 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150.9 | -177.6 | 179 | -99.4 | 0 | 0 | 0 | 111.8 | K89 L230 S233 L256 V297 I298 C299 T313 F316 | Y82-K89 VanDerWaalsContact C-CD 3.47Å; Y82-L230 HydrophobicContact CD2-CD1 3.84Å; Y82-L230 HydrophobicContact CG-CD1 4.46Å; Y82-S233 WeakPolarHBondContact OH-CB 3.36Å; Y82-L256 HydrophobicContact CE2-CD2 4.15Å; Y82-V297 PolarHBondContact N-O 3.38Å; Y82-I298 HydrophobicContact CD1-CG2 4.31Å; Y82-I298 CarbonylContact O-C 3.4Å; Y82-I298 WeakPolarHBondContact O-CA 3.41Å; Y82-C299 PolarHBondContact O-N 2.97Å; Y82-T313 HydrophobicContact CD1-CG2 4.14Å; Y82-T313 HydrophobicContact CE1-CG2 4.29Å; Y82-F316 HydrophobicContact CD1-CB 4.47Å; Y82-F316 AromaticContact CD1-CD1 3.43Å; Y82-F316 HydrophobicContact CD1-CD1 3.43Å; Y82-F316 VanDerWaalsContact CD1-CD1 3.43Å; Y82-F316 AromaticContact CD1-CE1 3.65Å; Y82-F316 HydrophobicContact CD1-CE1 3.65Å; Y82-F316 HydrophobicContact CD1-CG 4.02Å; Y82-F316 HydrophobicContact CD1-CZ 4.41Å; Y82-F316 HydrophobicContact CD2-CD1 4.47Å; Y82-F316 AromaticContact CD2-CE1 3.89Å; Y82-F316 HydrophobicContact CD2-CE1 3.89Å; Y82-F316 HydrophobicContact CD2-CZ 4.02Å; Y82-F316 HydrophobicContact CE1-CB 3.71Å; Y82-F316 AromaticContact CE1-CD1 3.29Å; Y82-F316 HydrophobicContact CE1-CD1 3.29Å; Y82-F316 AromaticContact CE1-CD2 3.85Å; Y82-F316 HydrophobicContact CE1-CD2 3.85Å; Y82-F316 AromaticContact CE1-CE1 3.7Å; Y82-F316 HydrophobicContact CE1-CE1 3.7Å; Y82-F316 HydrophobicContact CE1-CE2 4.24Å; Y82-F316 AromaticContact CE1-CG 3.37Å; Y82-F316 HydrophobicContact CE1-CG 3.37Å; Y82-F316 HydrophobicContact CE1-CZ 4.16Å; Y82-F316 HydrophobicContact CE2-CD1 4.35Å; Y82-F316 HydrophobicContact CE2-CD2 4.34Å; Y82-F316 AromaticContact CE2-CE1 3.92Å; Y82-F316 HydrophobicContact CE2-CE1 3.92Å; Y82-F316 AromaticContact CE2-CE2 3.96Å; Y82-F316 HydrophobicContact CE2-CE2 3.96Å; Y82-F316 AromaticContact CE2-CZ 3.73Å; Y82-F316 HydrophobicContact CE2-CZ 3.73Å; Y82-F316 HydrophobicContact CG-CD1 4.04Å; Y82-F316 AromaticContact CG-CE1 3.74Å; Y82-F316 HydrophobicContact CG-CE1 3.74Å; Y82-F316 HydrophobicContact CG-CZ 4.35Å; Y82-F316 AromaticContact CZ-CD1 3.78Å; Y82-F316 AromaticContact CZ-CD2 3.61Å; Y82-F316 AromaticContact CZ-CE1 3.82Å; Y82-F316 AromaticContact CZ-CE2 3.7Å; Y82-F316 AromaticContact CZ-CG 3.67Å; Y82-F316 AromaticContact CZ-CZ 3.79Å; Y82-F316 WeakPolarHBondContact OH-CD2 3.44Å |
| 83 | G | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 132.8 | 176.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K89 S233 | G83-K89 WeakPolarHBondContact O-CD 3.19Å; G83-K89 PolarHBondContact O-NZ 3.04Å; G83-S233 WeakPolarHBondContact CA-OG 3.22Å; G83-S233 PolarHBondContact O-N 2.81Å; G83-S233 PolarHBondContact O-OG 2.71Å |
| 84 | Q | 91.5 | Very high | 93.8 | Very high | 23 Ų | 23 | 19 Ų | 19 | 11% | 0.107 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -63.9 | 164.9 | -175.4 | 64.2 | 157.7 | 104.9 | 0 | 0 | 113.6 | S87 K89 S233 E234 N306 E309 | Q84-S87 VanDerWaalsContact O-CB 3.29Å; Q84-S87 WeakPolarHBondContact O-CB 3.3Å; Q84-S87 PolarHBondContact O-N 3.28Å; Q84-S87 PolarHBondContact O-OG 3.01Å; Q84-K89 PolarHBondContact O-NZ 3.21Å; Q84-S233 PolarHBondContact N-OG 2.71Å; Q84-S233 VanDerWaalsContact N-OG 3.15Å; Q84-E234 WeakPolarHBondContact CA-OE2 3.45Å; Q84-E234 HydrophobicContact CB-CB 4.29Å; Q84-E234 WeakPolarHBondContact CB-OE2 3.45Å; Q84-N306 VanDerWaalsContact CD-ND2 3.32Å; Q84-N306 PolarHBondContact NE2-ND2 2.83Å; Q84-N306 PolarHBondContact OE1-ND2 3.46Å; Q84-E309 HydrophobicContact CB-CB 4.3Å |
| 85 | T | 89.1 | Confident | 93.7 | Very high | 26 Ų | 26 | 19.8 Ų | 19.8 | 16% | 0.16 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 143.5 | 165.6 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | S87 G232 E234 | T85-S87 PolarHBondContact O-N 2.72Å; T85-S87 VanDerWaalsContact O-N 3.13Å; T85-G232 WeakPolarHBondContact OG1-CA 3.42Å; T85-E234 WeakPolarHBondContact CB-OE1 3.49Å; T85-E234 PolarHBondContact N-OE2 2.82Å; T85-E234 PolarHBondContact OG1-OE1 2.92Å; T85-E234 PolarHBondContact OG1-OE2 2.7Å |
| 86 | S | 87.7 | Confident | 93.5 | Very high | 80 Ų | 80 | 21.5 Ų | 21.5 | 56% | 0.559 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 21.9 | -175.9 | -52.1 | 0 | 0 | 0 | 0 | 115.6 | R12 | R12-S86 VanDerWaalsContact CZ-O 3.26Å; R12-S86 PolarHBondContact NE-O 3.33Å; R12-S86 PolarHBondContact NH2-O 3.3Å |
| 87 | S | 92.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -81.2 | -12.3 | 170.2 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | R12 Q84 T85 K89 C299 | R12-S87 WeakPolarHBondContact CG-O 3.35Å; Q84-S87 VanDerWaalsContact O-CB 3.29Å; Q84-S87 WeakPolarHBondContact O-CB 3.3Å; Q84-S87 PolarHBondContact O-N 3.28Å; Q84-S87 PolarHBondContact O-OG 3.01Å; T85-S87 PolarHBondContact O-N 2.72Å; T85-S87 VanDerWaalsContact O-N 3.13Å; S87-K89 WeakPolarHBondContact OG-CG 3.41Å; S87-C299 VanDerWaalsContact CB-O 3.3Å; S87-C299 WeakPolarHBondContact CB-O 3.3Å; S87-C299 WeakPolarHBondContact OG-CB 3.46Å; S87-C299 PolarHBondContact OG-O 2.59Å |
| 88 | G | 92.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 102.5 | 19.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T92 | G88-T92 WeakPolarHBondContact O-CB 3.4Å; G88-T92 PolarHBondContact O-N 2.86Å; G88-T92 PolarHBondContact O-OG1 3.35Å |
| 89 | K | 94.7 | Very high | 91.8 | Very high | 14 Ų | 14 | 30 Ų | 30 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -60.4 | 178.3 | -50.6 | -161.1 | -57.9 | -80.8 | 0 | 113 | A81 Y82 G83 Q84 S87 F91 T92 M93 D229 L230 A231 C299 | A81-K89 HydrophobicContact CB-CB 3.81Å; A81-K89 HydrophobicContact CB-CD 4.46Å; A81-K89 HydrophobicContact CB-CG 4.37Å; Y82-K89 VanDerWaalsContact C-CD 3.47Å; G83-K89 WeakPolarHBondContact O-CD 3.19Å; G83-K89 PolarHBondContact O-NZ 3.04Å; Q84-K89 PolarHBondContact O-NZ 3.21Å; S87-K89 WeakPolarHBondContact OG-CG 3.41Å; K89-F91 VanDerWaalsContact C-N 3.28Å; K89-F91 PolarHBondContact O-N 3Å; K89-T92 CarbonylContact O-C 3.6Å; K89-T92 WeakPolarHBondContact O-CA 3.39Å; K89-T92 WeakPolarHBondContact O-CB 3.46Å; K89-T92 PolarHBondContact O-N 3.15Å; K89-M93 PolarHBondContact O-N 2.89Å; K89-D229 WeakPolarHBondContact CB-OD1 3.48Å; K89-D229 WeakPolarHBondContact CE-OD1 3.27Å; K89-L230 WeakPolarHBondContact CE-O 3.42Å; K89-L230 PolarHBondContact NZ-O 3.21Å; K89-A231 PolarHBondContact NZ-O 2.91Å; K89-C299 HydrophobicContact CG-CB 3.89Å |
| 90 | T | 92.5 | Very high | 91.4 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.9 | -38.6 | 176.2 | -35.2 | 0 | 0 | 0 | 0 | 111.9 | T92 M93 E94 G95 D229 | T90-T92 VanDerWaalsContact C-N 3.25Å; T90-T92 PolarHBondContact O-N 3.07Å; T90-M93 PolarHBondContact O-N 3.44Å; T90-E94 HydrophobicContact CG2-CG 4.16Å; T90-E94 WeakPolarHBondContact O-CA 3.41Å; T90-E94 WeakPolarHBondContact O-CB 3.37Å; T90-E94 PolarHBondContact O-N 2.85Å; T90-G95 PolarHBondContact O-N 3.16Å; T90-G95 VanDerWaalsContact O-N 3.15Å; T90-D229 WeakPolarHBondContact CA-OD2 3.41Å; T90-D229 WeakPolarHBondContact CB-OD2 3.46Å; T90-D229 WeakPolarHBondContact CG2-OD2 3.38Å; T90-D229 PolarHBondContact N-OD2 2.99Å; T90-D229 PolarHBondContact OG1-OD2 3.47Å |
| 91 | F | 94 | Very high | 91.3 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -26.9 | 172.4 | -178.5 | -99.1 | 0 | 0 | 0 | 113 | Q56 K89 G95 F102 | Q56-F91 HydrophobicContact CG-CE1 4.44Å; Q56-F91 HydrophobicContact CG-CZ 4.32Å; Q56-F91 PolarHBondContact NE2-O 3.45Å; K89-F91 VanDerWaalsContact C-N 3.28Å; K89-F91 PolarHBondContact O-N 3Å; F91-G95 WeakPolarHBondContact O-CA 3.3Å; F91-G95 PolarHBondContact O-N 3.02Å; F91-F102 HydrophobicContact CE2-CD1 4.46Å; F91-F102 HydrophobicContact CZ-CD1 4.05Å |
| 92 | T | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -80.9 | -42.7 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | R10 V59 G88 K89 T90 V105 V297 | R10-T92 WeakPolarHBondContact CD-OG1 3.41Å; R10-T92 PolarHBondContact NH1-OG1 2.92Å; V59-T92 HydrophobicContact CG1-CG2 3.89Å; G88-T92 WeakPolarHBondContact O-CB 3.4Å; G88-T92 PolarHBondContact O-N 2.86Å; G88-T92 PolarHBondContact O-OG1 3.35Å; K89-T92 CarbonylContact O-C 3.6Å; K89-T92 WeakPolarHBondContact O-CA 3.39Å; K89-T92 WeakPolarHBondContact O-CB 3.46Å; K89-T92 PolarHBondContact O-N 3.15Å; T90-T92 VanDerWaalsContact C-N 3.25Å; T90-T92 PolarHBondContact O-N 3.07Å; T92-V105 HydrophobicContact CG2-CG2 4.43Å; T92-V105 WeakPolarHBondContact O-CG2 3.46Å; T92-V105 PolarHBondContact O-N 2.97Å; T92-V297 HydrophobicContact CG2-CG1 4.14Å |
| 93 | M | 95.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.5 | -55.4 | -179.2 | -63.2 | -56.1 | -70.1 | 0 | 0 | 111.7 | I79 A81 K89 T90 V105 I106 L227 D229 | I79-M93 HydrophobicContact CB-CE 4.49Å; I79-M93 HydrophobicContact CG2-CE 4.1Å; I79-M93 HydrophobicContact CG2-SD 4.09Å; A81-M93 HydrophobicContact CB-CG 3.68Å; A81-M93 HydrophobicContact CB-SD 4.01Å; K89-M93 PolarHBondContact O-N 2.89Å; T90-M93 PolarHBondContact O-N 3.44Å; M93-V105 PolarHBondContact O-N 3.29Å; M93-I106 HydrophobicContact CB-CD1 3.89Å; M93-I106 HydrophobicContact CB-CG1 4.41Å; M93-I106 HydrophobicContact CE-CD1 4.45Å; M93-I106 HydrophobicContact CE-CG1 4.34Å; M93-I106 WeakPolarHBondContact O-CB 3.45Å; M93-I106 WeakPolarHBondContact O-CG1 3.47Å; M93-I106 PolarHBondContact O-N 2.78Å; M93-L227 HydrophobicContact CE-CB 3.95Å; M93-D229 HydrophobicContact CG-CB 4.31Å |
| 94 | E | 92.7 | Very high | 91.1 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -44.5 | -177.4 | -52.7 | -175.5 | 161 | 0 | 0 | 112.3 | T90 G104 I106 K185 | T90-E94 HydrophobicContact CG2-CG 4.16Å; T90-E94 WeakPolarHBondContact O-CA 3.41Å; T90-E94 WeakPolarHBondContact O-CB 3.37Å; T90-E94 PolarHBondContact O-N 2.85Å; E94-G104 WeakPolarHBondContact O-CA 3.43Å; E94-G104 PolarHBondContact O-N 3Å; E94-I106 HydrophobicContact CG-CD1 4.13Å; E94-K185 VanDerWaalsContact CD-CE 3.4Å; E94-K185 VanDerWaalsContact CD-NZ 3.26Å; E94-K185 WeakPolarHBondContact OE1-CE 3.46Å; E94-K185 IonicContact OE1-NZ 2.68Å; E94-K185 WeakPolarHBondContact OE2-CE 3.46Å; E94-K185 IonicContact OE2-NZ 3.68Å; E94-K185 PolarHBondContact OE2-NZ 3.5Å |
| 95 | G | 91.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 43 Ų | 43 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | 67.6 | -146.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T90 F91 F102 | T90-G95 PolarHBondContact O-N 3.16Å; T90-G95 VanDerWaalsContact O-N 3.15Å; F91-G95 WeakPolarHBondContact O-CA 3.3Å; F91-G95 PolarHBondContact O-N 3.02Å; G95-F102 VanDerWaalsContact CA-O 3.31Å; G95-F102 WeakPolarHBondContact CA-O 3.48Å |
| 96 | I | 88.9 | Confident | 91.7 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -97.4 | 114.7 | 168 | -57.5 | 179.1 | 0 | 0 | 0 | 107.4 | D99 F102 Q103 | I96-D99 HydrophobicContact CB-CB 3.94Å; I96-D99 HydrophobicContact CG2-CB 3.74Å; I96-D99 PolarHBondContact O-N 3.48Å; I96-F102 HydrophobicContact CB-CB 3.97Å; I96-F102 HydrophobicContact CD1-CB 3.81Å; I96-F102 HydrophobicContact CD1-CG 4.29Å; I96-F102 HydrophobicContact CG1-CB 3.96Å; I96-F102 PolarHBondContact N-O 3.37Å; I96-Q103 VanDerWaalsContact O-CA 3.25Å; I96-Q103 WeakPolarHBondContact O-CA 3.36Å; I96-Q103 PolarHBondContact O-N 3.36Å |
| 97 | L | 81.9 | Confident | 92.1 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 145.4 | 173.8 | -63.2 | -174.5 | 0 | 0 | 0 | 110.1 | D99 P107 I181 D182 K185 | L97-D99 PolarHBondContact O-N 2.92Å; L97-P107 HydrophobicContact CD2-CB 4.17Å; L97-P107 HydrophobicContact CD2-CG 4.03Å; L97-I181 HydrophobicContact CD1-CG2 3.91Å; L97-D182 VanDerWaalsContact CD1-OD1 3.26Å; L97-D182 WeakPolarHBondContact CD1-OD1 3.21Å; L97-K185 HydrophobicContact CD1-CD 4.44Å |
| 98 | G | 81.8 | Confident | 92.2 | Very high | 85 Ų | 85 | 40 Ų | 40 | 88% | 0.876 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -15.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P100 | G98-P100 WeakPolarHBondContact O-CD 3.43Š|
| 99 | D | 88.9 | Confident | 92.4 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | trans | -96.3 | 111.3 | 177.7 | -171.9 | -51.5 | 0 | 0 | 0 | 111.1 | I96 L97 V101 F102 Q103 | I96-D99 HydrophobicContact CB-CB 3.94Å; I96-D99 HydrophobicContact CG2-CB 3.74Å; I96-D99 PolarHBondContact O-N 3.48Å; L97-D99 PolarHBondContact O-N 2.92Å; D99-V101 PolarHBondContact O-N 3.19Å; D99-V101 VanDerWaalsContact O-N 3.16Å; D99-V101 WeakPolarHBondContact OD1-CA 3.5Å; D99-V101 WeakPolarHBondContact OD1-CB 3.37Å; D99-V101 PolarHBondContact OD1-N 3.21Å; D99-F102 HydrophobicContact CB-CB 4.21Å; D99-F102 PolarHBondContact O-N 3.03Å; D99-F102 PolarHBondContact OD1-N 3.15Å; D99-F102 WeakPolarHBondContact OD2-CD2 3.3Å; D99-Q103 WeakPolarHBondContact O-CB 3.49Å; D99-Q103 VanDerWaalsContact O-CG 3.25Å; D99-Q103 WeakPolarHBondContact O-CG 3.44Å; D99-Q103 PolarHBondContact O-N 3.03Å | ||
| 100 | P | 87.5 | Confident | 92.5 | Very high | 94 Ų | 94 | 38.8 Ų | 38.8 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.9 | -175.3 | 26.2 | -34.4 | 0 | 0 | 0 | 114.1 | G98 Q103 R108 | G98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-Q103 PolarHBondContact O-NE2 3.03Å; P100-R108 PolarHBondContact O-NH2 2.92Å |
| 101 | V | 91.4 | Very high | 92.6 | Very high | 91 Ų | 91 | 38.7 Ų | 38.7 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -47 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | D99 R108 | D99-V101 PolarHBondContact O-N 3.19Å; D99-V101 VanDerWaalsContact O-N 3.16Å; D99-V101 WeakPolarHBondContact OD1-CA 3.5Å; D99-V101 WeakPolarHBondContact OD1-CB 3.37Å; D99-V101 PolarHBondContact OD1-N 3.21Å; V101-R108 PolarHBondContact O-NH2 3.09Å; V101-R108 VanDerWaalsContact O-NH2 3.07Å |
| 102 | F | 93.1 | Very high | 92.6 | Very high | 97 Ų | 97 | 36.2 Ų | 36.2 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.9 | -172.6 | -67.7 | -64.1 | 0 | 0 | 0 | 115.4 | Q56 F91 G95 I96 D99 | Q56-F102 PolarHBondContact NE2-O 3.1Å; F91-F102 HydrophobicContact CE2-CD1 4.46Å; F91-F102 HydrophobicContact CZ-CD1 4.05Å; G95-F102 VanDerWaalsContact CA-O 3.31Å; G95-F102 WeakPolarHBondContact CA-O 3.48Å; I96-F102 HydrophobicContact CB-CB 3.97Å; I96-F102 HydrophobicContact CD1-CB 3.81Å; I96-F102 HydrophobicContact CD1-CG 4.29Å; I96-F102 HydrophobicContact CG1-CB 3.96Å; I96-F102 PolarHBondContact N-O 3.37Å; D99-F102 HydrophobicContact CB-CB 4.21Å; D99-F102 PolarHBondContact O-N 3.03Å; D99-F102 PolarHBondContact OD1-N 3.15Å; D99-F102 WeakPolarHBondContact OD2-CD2 3.3Å |
| 103 | Q | 94.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -56.9 | 138.6 | 169 | 65.4 | 173.2 | -28.8 | 0 | 0 | 111.9 | Q56 I96 D99 P100 P107 R108 | Q56-Q103 WeakPolarHBondContact CB-O 3.34Å; I96-Q103 VanDerWaalsContact O-CA 3.25Å; I96-Q103 WeakPolarHBondContact O-CA 3.36Å; I96-Q103 PolarHBondContact O-N 3.36Å; D99-Q103 WeakPolarHBondContact O-CB 3.49Å; D99-Q103 VanDerWaalsContact O-CG 3.25Å; D99-Q103 WeakPolarHBondContact O-CG 3.44Å; D99-Q103 PolarHBondContact O-N 3.03Å; P100-Q103 PolarHBondContact O-NE2 3.03Å; Q103-P107 HydrophobicContact CB-CB 4.3Å; Q103-P107 HydrophobicContact CB-CG 3.68Å; Q103-P107 HydrophobicContact CG-CG 4.41Å; Q103-R108 HydrophobicContact CG-CG 4.2Å; Q103-R108 VanDerWaalsContact CG-NH2 3.27Å; Q103-R108 PolarHBondContact O-NE 3.29Å; Q103-R108 PolarHBondContact O-NH2 3.03Å |
| 104 | G | 95.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -88.2 | -155.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E94 R108 | E94-G104 WeakPolarHBondContact O-CA 3.43Å; E94-G104 PolarHBondContact O-N 3Å; G104-R108 VanDerWaalsContact O-CD 3.3Å; G104-R108 WeakPolarHBondContact O-CD 3.17Å; G104-R108 VanDerWaalsContact O-CG 3.22Å; G104-R108 WeakPolarHBondContact O-CG 3.48Å | ||
| 105 | V | 96.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -48.9 | -177.4 | 166.9 | 0 | 0 | 0 | 0 | 112.6 | V59 V63 A64 I79 T92 M93 R108 I109 | V59-V105 HydrophobicContact CG1-CG2 4.38Å; V63-V105 HydrophobicContact CG1-CG2 4.47Å; A64-V105 HydrophobicContact CB-CG1 3.69Å; I79-V105 HydrophobicContact CD1-CG1 4.23Å; T92-V105 HydrophobicContact CG2-CG2 4.43Å; T92-V105 WeakPolarHBondContact O-CG2 3.46Å; T92-V105 PolarHBondContact O-N 2.97Å; M93-V105 PolarHBondContact O-N 3.29Å; V105-R108 PolarHBondContact O-N 3.1Å; V105-I109 HydrophobicContact CG1-CD1 3.48Å; V105-I109 VanDerWaalsContact CG1-CD1 3.48Å; V105-I109 HydrophobicContact CG1-CG1 4.04Å; V105-I109 WeakPolarHBondContact O-CB 3.25Å; V105-I109 VanDerWaalsContact O-CG1 3.29Å; V105-I109 WeakPolarHBondContact O-CG1 3.5Å; V105-I109 PolarHBondContact O-N 2.89Å |
| 106 | I | 95.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.8 | -56.5 | -178.1 | -64.7 | 165.2 | 0 | 0 | 0 | 112.4 | M93 E94 R108 I109 I110 I181 L227 | M93-I106 HydrophobicContact CB-CD1 3.89Å; M93-I106 HydrophobicContact CB-CG1 4.41Å; M93-I106 HydrophobicContact CE-CD1 4.45Å; M93-I106 HydrophobicContact CE-CG1 4.34Å; M93-I106 WeakPolarHBondContact O-CB 3.45Å; M93-I106 WeakPolarHBondContact O-CG1 3.47Å; M93-I106 PolarHBondContact O-N 2.78Å; E94-I106 HydrophobicContact CG-CD1 4.13Å; I106-R108 VanDerWaalsContact C-N 3.3Å; I106-R108 PolarHBondContact O-N 2.75Å; I106-I109 WeakPolarHBondContact O-CB 3.45Å; I106-I109 PolarHBondContact O-N 3.17Å; I106-I110 HydrophobicContact CG2-CD1 3.82Å; I106-I110 WeakPolarHBondContact O-CG1 3.36Å; I106-I110 PolarHBondContact O-N 3.48Å; I106-I181 HydrophobicContact CG2-CD1 3.74Å; I106-L227 HydrophobicContact CB-CD1 4.4Å; I106-L227 HydrophobicContact CD1-CB 4.49Å; I106-L227 HydrophobicContact CG1-CB 4.13Å; I106-L227 HydrophobicContact CG1-CD1 3.86Å; I106-L227 HydrophobicContact CG2-CD1 4.36Å |
| 107 | P | 95.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -34.9 | -179.3 | 24.5 | -35.5 | 0 | 0 | 0 | 113 | L97 Q103 I110 H111 F178 | L97-P107 HydrophobicContact CD2-CB 4.17Å; L97-P107 HydrophobicContact CD2-CG 4.03Å; Q103-P107 HydrophobicContact CB-CB 4.3Å; Q103-P107 HydrophobicContact CB-CG 3.68Å; Q103-P107 HydrophobicContact CG-CG 4.41Å; P107-I110 PolarHBondContact O-N 3.43Å; P107-H111 PolarHBondContact O-CD2 3.33Å; P107-H111 PolarHBondContact O-N 3.24Å; P107-H111 VanDerWaalsContact O-N 3.13Å; P107-F178 HydrophobicContact CB-CE1 3.62Å; P107-F178 HydrophobicContact CB-CZ 3.89Å |
| 108 | R | 95.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.1 | -40.5 | 175.1 | -66.7 | 174.4 | -167.3 | -76.6 | -4.4 | 112.1 | Y60 P100 V101 Q103 G104 V105 I106 I110 D112 | Y60-R108 HydrophobicContact CD1-CB 4.16Å; Y60-R108 HydrophobicContact CD2-CB 3.41Å; Y60-R108 VanDerWaalsContact CD2-CB 3.41Å; Y60-R108 HydrophobicContact CD2-CG 4.46Å; Y60-R108 HydrophobicContact CE1-CB 4.4Å; Y60-R108 HydrophobicContact CE2-CB 3.72Å; Y60-R108 HydrophobicContact CG-CB 3.68Å; Y60-R108 HydrophobicContact CG-CG 4.36Å; P100-R108 PolarHBondContact O-NH2 2.92Å; V101-R108 PolarHBondContact O-NH2 3.09Å; V101-R108 VanDerWaalsContact O-NH2 3.07Å; Q103-R108 HydrophobicContact CG-CG 4.2Å; Q103-R108 VanDerWaalsContact CG-NH2 3.27Å; Q103-R108 PolarHBondContact O-NE 3.29Å; Q103-R108 PolarHBondContact O-NH2 3.03Å; G104-R108 VanDerWaalsContact O-CD 3.3Å; G104-R108 WeakPolarHBondContact O-CD 3.17Å; G104-R108 VanDerWaalsContact O-CG 3.22Å; G104-R108 WeakPolarHBondContact O-CG 3.48Å; V105-R108 PolarHBondContact O-N 3.1Å; I106-R108 VanDerWaalsContact C-N 3.3Å; I106-R108 PolarHBondContact O-N 2.75Å; R108-I110 VanDerWaalsContact C-N 3.32Å; R108-I110 PolarHBondContact O-N 3.21Å; R108-D112 VanDerWaalsContact O-CB 3.31Å; R108-D112 WeakPolarHBondContact O-CB 3.49Å; R108-D112 PolarHBondContact O-N 3.02Å |
| 109 | I | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57 | -46 | 171.9 | -75.4 | 176.3 | 0 | 0 | 0 | 110.8 | Y60 A64 V68 I79 V105 I106 D112 I113 I208 L225 L227 | Y60-I109 HydrophobicContact CD2-CG1 4.46Å; Y60-I109 HydrophobicContact CE2-CG1 3.73Å; A64-I109 HydrophobicContact CB-CD1 3.92Å; A64-I109 HydrophobicContact CB-CG1 3.94Å; V68-I109 HydrophobicContact CG2-CB 4.31Å; V68-I109 HydrophobicContact CG2-CG1 3.93Å; V68-I109 HydrophobicContact CG2-CG2 4.12Å; I79-I109 HydrophobicContact CD1-CD1 3.7Å; V105-I109 HydrophobicContact CG1-CD1 3.48Å; V105-I109 VanDerWaalsContact CG1-CD1 3.48Å; V105-I109 HydrophobicContact CG1-CG1 4.04Å; V105-I109 WeakPolarHBondContact O-CB 3.25Å; V105-I109 VanDerWaalsContact O-CG1 3.29Å; V105-I109 WeakPolarHBondContact O-CG1 3.5Å; V105-I109 PolarHBondContact O-N 2.89Å; I106-I109 WeakPolarHBondContact O-CB 3.45Å; I106-I109 PolarHBondContact O-N 3.17Å; I109-D112 PolarHBondContact O-N 2.87Å; I109-I113 HydrophobicContact CG2-CD1 3.57Å; I109-I113 HydrophobicContact CG2-CG1 4.24Å; I109-I113 WeakPolarHBondContact O-CB 3.41Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.5Å; I109-I113 PolarHBondContact O-N 3.04Å; I109-I208 HydrophobicContact CG2-CD1 3.99Å; I109-L225 HydrophobicContact CD1-CD2 4.38Å; I109-L225 HydrophobicContact CG2-CD2 3.75Å; I109-L227 HydrophobicContact CD1-CD1 3.88Å; I109-L227 HydrophobicContact CD1-CD2 3.54Å; I109-L227 HydrophobicContact CD1-CG 4.4Å; I109-L227 HydrophobicContact CG2-CD1 4.28Å |
| 110 | I | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -53.1 | -177.6 | -68.6 | 161 | 0 | 0 | 0 | 110.1 | I106 P107 R108 D112 I113 F114 P174 V177 F178 I181 I208 | I106-I110 HydrophobicContact CG2-CD1 3.82Å; I106-I110 WeakPolarHBondContact O-CG1 3.36Å; I106-I110 PolarHBondContact O-N 3.48Å; P107-I110 PolarHBondContact O-N 3.43Å; R108-I110 VanDerWaalsContact C-N 3.32Å; R108-I110 PolarHBondContact O-N 3.21Å; I110-D112 VanDerWaalsContact C-N 3.32Å; I110-D112 PolarHBondContact O-N 3.34Å; I110-I113 PolarHBondContact O-N 3.49Å; I110-F114 HydrophobicContact CG2-CD2 4.1Å; I110-F114 HydrophobicContact CG2-CE2 4.2Å; I110-F114 WeakPolarHBondContact O-CD2 3.1Å; I110-F114 PolarHBondContact O-N 3.47Å; I110-F114 VanDerWaalsContact O-N 3.15Å; I110-P174 HydrophobicContact CG2-CB 3.95Å; I110-V177 HydrophobicContact CD1-CB 4.16Å; I110-V177 HydrophobicContact CD1-CG1 3.5Å; I110-V177 VanDerWaalsContact CD1-CG1 3.5Å; I110-V177 HydrophobicContact CG1-CB 4.49Å; I110-V177 HydrophobicContact CG1-CG1 3.93Å; I110-V177 HydrophobicContact CG2-CB 3.96Å; I110-V177 HydrophobicContact CG2-CG1 4.31Å; I110-V177 HydrophobicContact CG2-CG2 4.13Å; I110-F178 HydrophobicContact CB-CZ 4.32Å; I110-F178 HydrophobicContact CD1-CD1 4.37Å; I110-F178 HydrophobicContact CD1-CE1 3.82Å; I110-F178 HydrophobicContact CD1-CZ 4.41Å; I110-F178 HydrophobicContact CG2-CZ 4.15Å; I110-I181 HydrophobicContact CD1-CD1 3.54Å; I110-I208 HydrophobicContact CG1-CD1 4.22Å |
| 111 | H | 94.2 | Very high | 92.9 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 176.2 | -72.8 | -61.5 | 0 | 0 | 0 | 112.3 | P107 F114 N115 F178 | P107-H111 PolarHBondContact O-CD2 3.33Å; P107-H111 PolarHBondContact O-N 3.24Å; P107-H111 VanDerWaalsContact O-N 3.13Å; H111-F114 PolarHBondContact O-N 3.46Å; H111-N115 WeakPolarHBondContact O-CB 3.33Å; H111-N115 PolarHBondContact O-N 3.03Å; H111-N115 PolarHBondContact O-ND2 3.29Å; H111-N115 VanDerWaalsContact O-ND2 3.13Å; H111-F178 AromaticContact CE1-CE2 3.73Å; H111-F178 AromaticContact NE2-CE2 3.59Å; H111-F178 AromaticContact NE2-CZ 3.66Å |
| 112 | D | 94.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.6 | -36.9 | -177.1 | -148.7 | 10.2 | 0 | 0 | 0 | 112.3 | Y60 V68 R108 I109 I110 N115 H116 | Y60-D112 WeakPolarHBondContact OH-CB 3.48Å; Y60-D112 VanDerWaalsContact OH-CG 3.28Å; Y60-D112 PolarHBondContact OH-OD2 2.99Å; V68-D112 HydrophobicContact CG1-CB 4.34Å; R108-D112 VanDerWaalsContact O-CB 3.31Å; R108-D112 WeakPolarHBondContact O-CB 3.49Å; R108-D112 PolarHBondContact O-N 3.02Å; I109-D112 PolarHBondContact O-N 2.87Å; I110-D112 VanDerWaalsContact C-N 3.32Å; I110-D112 PolarHBondContact O-N 3.34Å; D112-N115 PolarHBondContact O-N 3.01Å; D112-H116 WeakPolarHBondContact O-CB 3.26Å; D112-H116 PolarHBondContact O-N 3.4Å; D112-H116 PolarHBondContact O-ND1 3.39Å; D112-H116 IonicContact OD1-CE1 2.59Å; D112-H116 PolarHBondContact OD1-CE1 3.14Å; D112-H116 IonicContact OD1-ND1 3.18Å; D112-H116 PolarHBondContact OD1-ND1 2.95Å; D112-H116 VanDerWaalsContact OD1-ND1 3.1Å; D112-H116 IonicContact OD2-CE1 3.63Å |
| 113 | I | 94.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -53.3 | 171.8 | -75.8 | 172.6 | 0 | 0 | 0 | 110.6 | V68 L72 I109 I110 H116 I117 I128 I208 L225 | V68-I113 HydrophobicContact CG1-CG1 3.81Å; V68-I113 HydrophobicContact CG2-CG1 4.5Å; L72-I113 HydrophobicContact CD2-CG2 4.41Å; I109-I113 HydrophobicContact CG2-CD1 3.57Å; I109-I113 HydrophobicContact CG2-CG1 4.24Å; I109-I113 WeakPolarHBondContact O-CB 3.41Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.5Å; I109-I113 PolarHBondContact O-N 3.04Å; I110-I113 PolarHBondContact O-N 3.49Å; I113-H116 PolarHBondContact O-N 2.92Å; I113-I117 HydrophobicContact CG2-CD1 3.89Å; I113-I117 WeakPolarHBondContact O-CG1 3.34Å; I113-I117 PolarHBondContact O-N 2.88Å; I113-I128 HydrophobicContact CG2-CD1 4.16Å; I113-I208 HydrophobicContact CD1-CD1 4.21Å; I113-I208 HydrophobicContact CD1-CG2 4.34Å; I113-L225 HydrophobicContact CD1-CD2 4.24Å |
| 114 | F | 94.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | -179.8 | -80.5 | -73.4 | 0 | 0 | 0 | 111.9 | I110 H111 H116 I117 Y118 I128 S172 S173 P174 V177 | I110-F114 HydrophobicContact CG2-CD2 4.1Å; I110-F114 HydrophobicContact CG2-CE2 4.2Å; I110-F114 WeakPolarHBondContact O-CD2 3.1Å; I110-F114 PolarHBondContact O-N 3.47Å; I110-F114 VanDerWaalsContact O-N 3.15Å; H111-F114 PolarHBondContact O-N 3.46Å; F114-H116 VanDerWaalsContact C-N 3.34Å; F114-H116 PolarHBondContact O-N 3.23Å; F114-I117 PolarHBondContact O-N 3.27Å; F114-Y118 HydrophobicContact CB-CE2 3.89Å; F114-Y118 HydrophobicContact CD1-CE1 4.31Å; F114-Y118 AromaticContact CD1-CZ 3.95Å; F114-Y118 WeakPolarHBondContact O-CD2 3.39Å; F114-Y118 PolarHBondContact O-N 3Å; F114-I128 HydrophobicContact CD1-CD1 4.2Å; F114-I128 HydrophobicContact CE1-CD1 3.59Å; F114-I128 HydrophobicContact CE2-CD1 4.35Å; F114-I128 HydrophobicContact CZ-CD1 3.69Å; F114-S172 VanDerWaalsContact CE1-C 3.49Å; F114-S172 WeakPolarHBondContact CE1-O 3.48Å; F114-S173 VanDerWaalsContact CE2-C 3.43Å; F114-S173 WeakPolarHBondContact CE2-O 3.34Å; F114-S173 VanDerWaalsContact CZ-C 3.4Å; F114-S173 WeakPolarHBondContact CZ-O 3.47Å; F114-P174 HydrophobicContact CB-CG 3.9Å; F114-P174 HydrophobicContact CD2-CB 4.23Å; F114-P174 HydrophobicContact CD2-CG 3.68Å; F114-P174 HydrophobicContact CE2-CG 4.42Å; F114-P174 HydrophobicContact CG-CG 3.9Å; F114-V177 HydrophobicContact CE2-CG2 3.79Å; F114-V177 HydrophobicContact CZ-CG2 4.29Å |
| 115 | N | 92.4 | Very high | 91.6 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 40% | 0.401 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 176.8 | -74.6 | -23.7 | 0 | 0 | 0 | 112.8 | H111 D112 Q119 | H111-N115 WeakPolarHBondContact O-CB 3.33Å; H111-N115 PolarHBondContact O-N 3.03Å; H111-N115 PolarHBondContact O-ND2 3.29Å; H111-N115 VanDerWaalsContact O-ND2 3.13Å; D112-N115 PolarHBondContact O-N 3.01Å; N115-Q119 WeakPolarHBondContact O-CG 3.32Å; N115-Q119 PolarHBondContact O-N 3.31Å; N115-Q119 PolarHBondContact O-NE2 3.48Å |
| 116 | H | 90.7 | Very high | 91.4 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -44 | 173.2 | -80.7 | 77.4 | 0 | 0 | 0 | 111.1 | L72 D112 I113 F114 Y118 Q119 M120 | L72-H116 HydrophobicContact CD1-CB 3.43Å; L72-H116 VanDerWaalsContact CD1-CB 3.43Å; D112-H116 WeakPolarHBondContact O-CB 3.26Å; D112-H116 PolarHBondContact O-N 3.4Å; D112-H116 PolarHBondContact O-ND1 3.39Å; D112-H116 IonicContact OD1-CE1 2.59Å; D112-H116 PolarHBondContact OD1-CE1 3.14Å; D112-H116 IonicContact OD1-ND1 3.18Å; D112-H116 PolarHBondContact OD1-ND1 2.95Å; D112-H116 VanDerWaalsContact OD1-ND1 3.1Å; D112-H116 IonicContact OD2-CE1 3.63Å; I113-H116 PolarHBondContact O-N 2.92Å; F114-H116 VanDerWaalsContact C-N 3.34Å; F114-H116 PolarHBondContact O-N 3.23Å; H116-Y118 VanDerWaalsContact C-N 3.32Å; H116-Y118 PolarHBondContact O-N 3.1Å; H116-Q119 CarbonylContact O-C 3.52Å; H116-Q119 WeakPolarHBondContact O-CA 3.43Å; H116-Q119 PolarHBondContact O-N 3.26Å; H116-M120 HydrophobicContact CB-CE 4.36Å; H116-M120 WeakPolarHBondContact O-CG 3.43Å; H116-M120 PolarHBondContact O-N 3.07Å; H116-M120 VanDerWaalsContact O-N 3.14Å |
| 117 | I | 90 | Very high | 91.3 | Very high | 26 Ų | 26 | 57.8 Ų | 57.8 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 177.8 | -72.8 | 168.5 | 0 | 0 | 0 | 111.4 | L72 I113 F114 Q119 M120 F126 I128 | L72-I117 HydrophobicContact CD2-CD1 4Å; L72-I117 HydrophobicContact CD2-CG1 3.92Å; I113-I117 HydrophobicContact CG2-CD1 3.89Å; I113-I117 WeakPolarHBondContact O-CG1 3.34Å; I113-I117 PolarHBondContact O-N 2.88Å; F114-I117 PolarHBondContact O-N 3.27Å; I117-Q119 PolarHBondContact O-N 3.33Å; I117-M120 PolarHBondContact O-N 3.43Å; I117-F126 HydrophobicContact CB-CD2 4.41Å; I117-F126 HydrophobicContact CD1-CB 4.16Å; I117-F126 HydrophobicContact CD1-CD1 3.8Å; I117-F126 HydrophobicContact CD1-CE1 4.34Å; I117-F126 HydrophobicContact CD1-CG 3.91Å; I117-F126 HydrophobicContact CG1-CD1 3.89Å; I117-F126 HydrophobicContact CG1-CD2 4.1Å; I117-F126 HydrophobicContact CG1-CE1 3.99Å; I117-F126 HydrophobicContact CG1-CE2 4.2Å; I117-F126 HydrophobicContact CG1-CG 3.94Å; I117-F126 HydrophobicContact CG1-CZ 4.15Å; I117-F126 HydrophobicContact CG2-CB 4.26Å; I117-F126 HydrophobicContact CG2-CD2 3.65Å; I117-F126 HydrophobicContact CG2-CE2 4.16Å; I117-F126 HydrophobicContact CG2-CG 3.99Å; I117-I128 HydrophobicContact CD1-CD1 3.71Å; I117-I128 HydrophobicContact CD1-CG1 4.36Å |
| 118 | Y | 89.8 | Confident | 91.4 | Very high | 134 Ų | 134 | 58.2 Ų | 58.2 | 53% | 0.525 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -6.3 | 174.1 | -55.9 | -30.9 | 0 | 0 | 0 | 114.3 | F114 H116 | F114-Y118 HydrophobicContact CB-CE2 3.89Å; F114-Y118 HydrophobicContact CD1-CE1 4.31Å; F114-Y118 AromaticContact CD1-CZ 3.95Å; F114-Y118 WeakPolarHBondContact O-CD2 3.39Å; F114-Y118 PolarHBondContact O-N 3Å; H116-Y118 VanDerWaalsContact C-N 3.32Å; H116-Y118 PolarHBondContact O-N 3.1Å |
| 119 | Q | 88.3 | Confident | 91.4 | Very high | 160 Ų | 160 | 58.7 Ų | 58.7 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 1.8 | 176.2 | -71.8 | 170.7 | 70.9 | 0 | 0 | 112.8 | N115 H116 I117 | N115-Q119 WeakPolarHBondContact O-CG 3.32Å; N115-Q119 PolarHBondContact O-N 3.31Å; N115-Q119 PolarHBondContact O-NE2 3.48Å; H116-Q119 CarbonylContact O-C 3.52Å; H116-Q119 WeakPolarHBondContact O-CA 3.43Å; H116-Q119 PolarHBondContact O-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.33Å |
| 120 | M | 87.4 | Confident | 91.5 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -90.1 | 166.5 | 177.9 | -80.1 | 173.7 | 179.2 | 0 | 0 | 111.7 | L72 H116 I117 L124 F126 | L72-M120 HydrophobicContact CB-CE 4.22Å; L72-M120 HydrophobicContact CD1-CE 4.08Å; H116-M120 HydrophobicContact CB-CE 4.36Å; H116-M120 WeakPolarHBondContact O-CG 3.43Å; H116-M120 PolarHBondContact O-N 3.07Å; H116-M120 VanDerWaalsContact O-N 3.14Å; I117-M120 PolarHBondContact O-N 3.43Å; M120-L124 HydrophobicContact CB-CD1 4.11Å; M120-F126 HydrophobicContact CB-CE2 4.27Å; M120-F126 HydrophobicContact CB-CZ 4.48Å; M120-F126 HydrophobicContact SD-CE1 4.31Å; M120-F126 HydrophobicContact SD-CE2 4.18Å; M120-F126 HydrophobicContact SD-CZ 3.5Å; M120-F126 VanDerWaalsContact SD-CZ 3.5Å |
| 121 | D | 84 | Confident | 91.5 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | trans | -58 | 135.6 | -178.5 | -179.3 | -2.3 | 0 | 0 | 0 | 112 | N123 L124 | D121-N123 PolarHBondContact O-N 3.26Å; D121-N123 VanDerWaalsContact O-N 3.11Å; D121-N123 WeakPolarHBondContact OD1-CB 3.48Å; D121-N123 PolarHBondContact OD1-N 2.95Å; D121-L124 HydrophobicContact CB-CD1 4.07Å; D121-L124 HydrophobicContact CB-CG 4.16Å; D121-L124 WeakPolarHBondContact O-CB 3.27Å; D121-L124 PolarHBondContact O-N 2.72Å | ||
| 122 | E | 83.8 | Confident | 91.7 | Very high | 192 Ų | 192 | 56 Ų | 56 | 90% | 0.897 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.9 | 177.7 | -62 | -172.2 | 174.8 | 0 | 0 | 112.7 | L124 | E122-L124 PolarHBondContact O-N 3.18Š|
| 123 | N | 84.5 | Confident | 91.7 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -0.1 | 172 | -76.1 | -43.2 | 0 | 0 | 0 | 114.6 | D121 N214 L215 E216 | D121-N123 PolarHBondContact O-N 3.26Å; D121-N123 VanDerWaalsContact O-N 3.11Å; D121-N123 WeakPolarHBondContact OD1-CB 3.48Å; D121-N123 PolarHBondContact OD1-N 2.95Å; N123-N214 WeakPolarHBondContact O-CA 3.46Å; N123-L215 PolarHBondContact O-N 3.05Å; N123-E216 HydrophobicContact CB-CG 4.32Å; N123-E216 PolarHBondContact ND2-OE1 2.87Å |
| 124 | L | 88.9 | Confident | 91.7 | Very high | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 109.1 | -179.1 | -62.1 | 175.1 | 0 | 0 | 0 | 111.6 | M120 D121 E122 F126 Q212 N214 | M120-L124 HydrophobicContact CB-CD1 4.11Å; D121-L124 HydrophobicContact CB-CD1 4.07Å; D121-L124 HydrophobicContact CB-CG 4.16Å; D121-L124 WeakPolarHBondContact O-CB 3.27Å; D121-L124 PolarHBondContact O-N 2.72Å; E122-L124 PolarHBondContact O-N 3.18Å; L124-F126 HydrophobicContact CB-CD2 4.28Å; L124-F126 HydrophobicContact CB-CE2 3.53Å; L124-F126 HydrophobicContact CB-CZ 4.09Å; L124-F126 HydrophobicContact CD1-CE2 4.38Å; L124-F126 HydrophobicContact CD1-CZ 4.31Å; L124-F126 WeakPolarHBondContact O-CD2 3.38Å; L124-Q212 VanDerWaalsContact CD1-NE2 3.34Å; L124-Q212 HydrophobicContact CD2-CG 4.2Å; L124-N214 HydrophobicContact CD2-CB 3.6Å; L124-N214 WeakPolarHBondContact CD2-ND2 3.37Å |
| 125 | E | 90.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.1 | 173.5 | -172.1 | 168.1 | -128.8 | 0 | 0 | 110.7 | H127 Q212 E213 L215 | E125-H127 IonicContact OE2-CE1 3.92Å; E125-Q212 WeakPolarHBondContact O-CA 3.31Å; E125-E213 PolarHBondContact N-O 2.81Å; E125-E213 PolarHBondContact O-N 2.8Å; E125-L215 HydrophobicContact CB-CD2 4.24Å; E125-L215 HydrophobicContact CB-CG 4.47Å |
| 126 | F | 92.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.5 | -179.6 | -70.8 | -89.1 | 0 | 0 | 0 | 111.7 | L72 I117 M120 L124 V210 R211 Q212 | L72-F126 HydrophobicContact CD2-CE1 4.44Å; I117-F126 HydrophobicContact CB-CD2 4.41Å; I117-F126 HydrophobicContact CD1-CB 4.16Å; I117-F126 HydrophobicContact CD1-CD1 3.8Å; I117-F126 HydrophobicContact CD1-CE1 4.34Å; I117-F126 HydrophobicContact CD1-CG 3.91Å; I117-F126 HydrophobicContact CG1-CD1 3.89Å; I117-F126 HydrophobicContact CG1-CD2 4.1Å; I117-F126 HydrophobicContact CG1-CE1 3.99Å; I117-F126 HydrophobicContact CG1-CE2 4.2Å; I117-F126 HydrophobicContact CG1-CG 3.94Å; I117-F126 HydrophobicContact CG1-CZ 4.15Å; I117-F126 HydrophobicContact CG2-CB 4.26Å; I117-F126 HydrophobicContact CG2-CD2 3.65Å; I117-F126 HydrophobicContact CG2-CE2 4.16Å; I117-F126 HydrophobicContact CG2-CG 3.99Å; M120-F126 HydrophobicContact CB-CE2 4.27Å; M120-F126 HydrophobicContact CB-CZ 4.48Å; M120-F126 HydrophobicContact SD-CE1 4.31Å; M120-F126 HydrophobicContact SD-CE2 4.18Å; M120-F126 HydrophobicContact SD-CZ 3.5Å; M120-F126 VanDerWaalsContact SD-CZ 3.5Å; L124-F126 HydrophobicContact CB-CD2 4.28Å; L124-F126 HydrophobicContact CB-CE2 3.53Å; L124-F126 HydrophobicContact CB-CZ 4.09Å; L124-F126 HydrophobicContact CD1-CE2 4.38Å; L124-F126 HydrophobicContact CD1-CZ 4.31Å; L124-F126 WeakPolarHBondContact O-CD2 3.38Å; F126-V210 HydrophobicContact CD1-CG1 3.97Å; F126-V210 HydrophobicContact CE1-CG1 4.49Å; F126-R211 CarbonylContact C-O 3.47Å; F126-R211 WeakPolarHBondContact CA-O 3.49Å; F126-Q212 HydrophobicContact CD1-CB 3.91Å; F126-Q212 HydrophobicContact CD1-CG 4.2Å; F126-Q212 HydrophobicContact CE1-CB 3.62Å; F126-Q212 HydrophobicContact CE1-CG 3.57Å; F126-Q212 HydrophobicContact CE2-CG 4.48Å; F126-Q212 HydrophobicContact CZ-CB 4.31Å; F126-Q212 HydrophobicContact CZ-CG 3.74Å |
| 127 | H | 93.2 | Very high | 91 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 39% | 0.394 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 100.5 | 172.5 | -73.9 | 73.1 | 0 | 0 | 0 | 108.7 | E125 R211 | E125-H127 IonicContact OE2-CE1 3.92Å; H127-R211 HydrophobicContact CB-CB 4.14Å; H127-R211 PolarHBondContact N-O 2.86Å; H127-R211 PolarHBondContact O-N 2.82Å |
| 128 | I | 96.4 | Very high | 91 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.6 | 176.1 | -49.1 | 175.2 | 0 | 0 | 0 | 109.2 | I113 F114 I117 F170 V171 I208 T209 | I113-I128 HydrophobicContact CG2-CD1 4.16Å; F114-I128 HydrophobicContact CD1-CD1 4.2Å; F114-I128 HydrophobicContact CE1-CD1 3.59Å; F114-I128 HydrophobicContact CE2-CD1 4.35Å; F114-I128 HydrophobicContact CZ-CD1 3.69Å; I117-I128 HydrophobicContact CD1-CD1 3.71Å; I117-I128 HydrophobicContact CD1-CG1 4.36Å; I128-F170 WeakPolarHBondContact O-CA 3.49Å; I128-V171 HydrophobicContact CB-CG2 3.95Å; I128-V171 HydrophobicContact CG2-CG2 3.62Å; I128-V171 PolarHBondContact O-N 3.35Å; I128-V171 VanDerWaalsContact O-N 3.11Å; I128-I208 HydrophobicContact CG2-CG2 4.04Å; I128-T209 WeakPolarHBondContact CA-O 3.45Å |
| 129 | K | 96.4 | Very high | 91 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | 167.5 | 64.5 | 177 | 176.2 | 150.2 | 0 | 110.9 | E168 R169 F170 T209 | K129-E168 HydrophobicContact CD-CB 4.13Å; K129-E168 WeakPolarHBondContact CD-OE2 3.43Å; K129-E168 IonicContact NZ-OE1 3.13Å; K129-E168 PolarHBondContact NZ-OE1 3.46Å; K129-E168 IonicContact NZ-OE2 2.65Å; K129-E168 PolarHBondContact NZ-OE2 2.75Å; K129-R169 CarbonylContact C-O 3.49Å; K129-R169 WeakPolarHBondContact CA-O 3.46Å; K129-F170 HydrophobicContact CB-CD1 4.06Å; K129-F170 HydrophobicContact CB-CE1 4.19Å; K129-T209 HydrophobicContact CG-CG2 4.26Å; K129-T209 PolarHBondContact N-O 3.39Å; K129-T209 PolarHBondContact O-N 3.08Å |
| 130 | V | 97.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.7 | 179.6 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | E168 R169 V171 V177 V180 F206 M207 I208 | V130-E168 CarbonylContact O-C 3.53Å; V130-E168 WeakPolarHBondContact O-CA 3.26Å; V130-R169 HydrophobicContact CG2-CB 4.47Å; V130-R169 PolarHBondContact N-O 3.13Å; V130-R169 PolarHBondContact O-N 3.01Å; V130-V171 HydrophobicContact CG1-CG2 4.04Å; V130-V171 HydrophobicContact CG2-CG1 3.69Å; V130-V171 HydrophobicContact CG2-CG2 4.22Å; V130-V177 HydrophobicContact CG1-CG1 4.17Å; V130-V180 HydrophobicContact CG2-CB 4.42Å; V130-V180 HydrophobicContact CG2-CG1 3.83Å; V130-V180 HydrophobicContact CG2-CG2 4.5Å; V130-F206 HydrophobicContact CB-CZ 4.06Å; V130-F206 HydrophobicContact CG1-CE1 4.25Å; V130-F206 HydrophobicContact CG1-CZ 4.05Å; V130-M207 CarbonylContact C-O 3.52Å; V130-M207 WeakPolarHBondContact CA-O 3.47Å; V130-I208 HydrophobicContact CG1-CB 4.47Å; V130-I208 HydrophobicContact CG1-CG1 4.17Å; V130-I208 HydrophobicContact CG1-CG2 4.33Å |
| 131 | S | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.3 | 174 | -169.7 | 0 | 0 | 0 | 0 | 109.4 | T167 M207 | S131-T167 WeakPolarHBondContact CA-O 3.2Å; S131-T167 VanDerWaalsContact CB-O 3.22Å; S131-T167 WeakPolarHBondContact CB-O 3.33Å; S131-T167 PolarHBondContact OG-O 3.36Å; S131-M207 PolarHBondContact N-O 3.3Å; S131-M207 PolarHBondContact O-N 3.46Å |
| 132 | Y | 97.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.2 | -179.2 | -163.4 | -174.9 | 0 | 0 | 0 | 109.7 | L143 S204 V205 F206 | Y132-L143 HydrophobicContact CD1-CB 4.32Å; Y132-L143 HydrophobicContact CD1-CD1 4.22Å; Y132-L143 HydrophobicContact CD2-CD1 3.76Å; Y132-L143 HydrophobicContact CE1-CD1 4.17Å; Y132-L143 HydrophobicContact CE2-CD1 3.71Å; Y132-L143 HydrophobicContact CG-CB 4.16Å; Y132-L143 HydrophobicContact CG-CD1 4.01Å; Y132-L143 WeakPolarHBondContact O-CB 3.27Å; Y132-L143 PolarHBondContact O-N 2.88Å; Y132-S204 VanDerWaalsContact CE2-OG 3.32Å; Y132-S204 WeakPolarHBondContact CE2-OG 3.47Å; Y132-S204 PolarHBondContact OH-OG 3.05Å; Y132-V205 WeakPolarHBondContact CD2-O 3.06Å; Y132-F206 AromaticContact CD1-CD2 3.9Å; Y132-F206 HydrophobicContact CD1-CD2 3.9Å; Y132-F206 HydrophobicContact CD1-CE2 4.26Å; Y132-F206 HydrophobicContact CD2-CB 4.13Å; Y132-F206 AromaticContact CD2-CD2 3.82Å; Y132-F206 HydrophobicContact CD2-CD2 3.82Å; Y132-F206 HydrophobicContact CE1-CD2 4.41Å; Y132-F206 HydrophobicContact CE2-CB 4.29Å; Y132-F206 HydrophobicContact CE2-CD2 4.33Å; Y132-F206 AromaticContact CG-CD2 3.59Å; Y132-F206 HydrophobicContact CG-CD2 3.59Å; Y132-F206 HydrophobicContact CG-CE2 4.23Å |
| 133 | F | 95.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 154.8 | 177.1 | 54.8 | -96.4 | 0 | 0 | 0 | 111.4 | I135 I140 R141 V163 V205 I283 | F133-I135 HydrophobicContact CD2-CG1 4.49Å; F133-I140 HydrophobicContact CB-CG2 3.97Å; F133-I140 HydrophobicContact CD2-CG2 3.67Å; F133-I140 HydrophobicContact CE2-CG2 4.41Å; F133-I140 HydrophobicContact CG-CG2 3.99Å; F133-R141 CarbonylContact C-O 3.57Å; F133-R141 VanDerWaalsContact CA-O 3.26Å; F133-R141 WeakPolarHBondContact CA-O 3.42Å; F133-R141 VanDerWaalsContact CB-O 3.23Å; F133-R141 WeakPolarHBondContact CB-O 3.33Å; F133-V163 HydrophobicContact CE1-CG2 4.14Å; F133-V163 HydrophobicContact CE2-CG2 4.1Å; F133-V163 HydrophobicContact CZ-CG2 3.71Å; F133-V205 HydrophobicContact CD2-CB 3.87Å; F133-V205 HydrophobicContact CD2-CG1 4.39Å; F133-V205 HydrophobicContact CD2-CG2 4.37Å; F133-V205 HydrophobicContact CE1-CG1 4.16Å; F133-V205 HydrophobicContact CE2-CB 3.49Å; F133-V205 VanDerWaalsContact CE2-CB 3.49Å; F133-V205 HydrophobicContact CE2-CG1 3.61Å; F133-V205 HydrophobicContact CE2-CG2 3.89Å; F133-V205 HydrophobicContact CZ-CB 3.89Å; F133-V205 HydrophobicContact CZ-CG1 3.47Å; F133-V205 VanDerWaalsContact CZ-CG1 3.47Å; F133-V205 PolarHBondContact N-O 2.9Å; F133-V205 VanDerWaalsContact N-O 3.1Å; F133-V205 PolarHBondContact O-N 3Å; F133-I283 HydrophobicContact CE2-CD1 3.97Å; F133-I283 HydrophobicContact CZ-CD1 4.38Å |
| 134 | E | 93.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 153.3 | 170.6 | 65.6 | 167.6 | -174.4 | 0 | 0 | 111.9 | I140 R141 L143 R188 S202 H203 | E134-I140 CarbonylContact O-C 3.58Å; E134-I140 WeakPolarHBondContact O-CA 3.29Å; E134-R141 HydrophobicContact CG-CB 3.87Å; E134-R141 PolarHBondContact N-O 3.28Å; E134-R141 PolarHBondContact O-N 2.91Å; E134-R141 WeakPolarHBondContact OE1-CD 3.19Å; E134-R141 IonicContact OE1-NE 2.77Å; E134-R141 PolarHBondContact OE1-NE 3.25Å; E134-L143 HydrophobicContact CB-CD1 4.23Å; E134-L143 HydrophobicContact CB-CD2 4.47Å; E134-L143 HydrophobicContact CB-CG 4.45Å; E134-L143 HydrophobicContact CG-CD2 4Å; E134-L143 HydrophobicContact CG-CG 4.39Å; E134-R188 IonicContact OE2-NE 2.65Å; E134-R188 PolarHBondContact OE2-NE 3.34Å; E134-S202 VanDerWaalsContact OE2-CB 3.24Å; E134-S202 WeakPolarHBondContact OE2-CB 3.31Å; E134-S202 PolarHBondContact OE2-OG 3.44Å; E134-H203 CarbonylContact C-O 3.59Å; E134-H203 VanDerWaalsContact CA-O 3.24Å; E134-H203 WeakPolarHBondContact CA-O 3.28Å |
| 135 | I | 92.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 110.1 | 171.1 | -43.1 | -175.3 | 0 | 0 | 0 | 108.5 | F133 K139 I140 S202 H203 V205 L280 I283 | F133-I135 HydrophobicContact CD2-CG1 4.49Å; I135-K139 WeakPolarHBondContact CA-O 3.47Å; I135-I140 HydrophobicContact CG1-CG1 4.26Å; I135-I140 HydrophobicContact CG2-CG1 4.49Å; I135-S202 WeakPolarHBondContact O-CA 3.36Å; I135-H203 HydrophobicContact CB-CB 4.26Å; I135-H203 PolarHBondContact N-O 2.94Å; I135-H203 PolarHBondContact O-CD2 3.05Å; I135-H203 PolarHBondContact O-N 2.93Å; I135-V205 HydrophobicContact CD1-CG2 4.3Å; I135-V205 HydrophobicContact CG1-CG2 4.45Å; I135-L280 HydrophobicContact CD1-CB 4.14Å; I135-L280 HydrophobicContact CD1-CD1 4.05Å; I135-I283 HydrophobicContact CD1-CD1 3.77Å |
| 136 | Y | 88.5 | Confident | 93.2 | Very high | 41 Ų | 41 | 31.4 Ų | 31.4 | 16% | 0.161 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.2 | -179.1 | 179.3 | -106.1 | 0 | 0 | 0 | 110.1 | D138 K139 H198 R201 E248 | Y136-D138 PolarHBondContact O-N 3.41Å; Y136-K139 PolarHBondContact N-O 3.47Å; Y136-K139 WeakPolarHBondContact O-CA 3.45Å; Y136-K139 WeakPolarHBondContact O-CB 3.47Å; Y136-K139 PolarHBondContact O-N 3.34Å; Y136-K139 VanDerWaalsContact O-O 3.13Å; Y136-H198 AromaticContact CE2-ND1 3.55Å; Y136-H198 AromaticContact CZ-CE1 3.64Å; Y136-H198 AromaticContact CZ-ND1 3.46Å; Y136-H198 PolarHBondContact OH-CE1 3.25Å; Y136-H198 VanDerWaalsContact OH-CE1 3.28Å; Y136-H198 PolarHBondContact OH-ND1 3.5Å; Y136-R201 HydrophobicContact CE2-CB 4.4Å; Y136-E248 HydrophobicContact CE2-CG 4.31Å; Y136-E248 WeakPolarHBondContact OH-CG 3.42Å; Y136-E248 PolarHBondContact OH-OE1 3.35Å; Y136-E248 VanDerWaalsContact OH-OE1 3.12Å |
| 137 | M | 83.5 | Confident | 93 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 34% | 0.335 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 40.6 | -173.8 | -65.7 | 178.4 | 163.5 | 0 | 0 | 113.8 | K139 E248 N251 | M137-K139 PolarHBondContact O-N 2.92Å; M137-K139 VanDerWaalsContact O-N 3.09Å; M137-E248 HydrophobicContact CE-CB 3.65Å; M137-E248 HydrophobicContact CE-CG 3.92Å; M137-N251 HydrophobicContact CG-CB 4.35Å |
| 138 | D | 89.5 | Confident | 92.9 | Very high | 40 Ų | 40 | 33.1 Ų | 33.1 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 15.1 | -176.3 | -146.5 | 17.2 | 0 | 0 | 0 | 114.5 | Y136 K254 K279 | Y136-D138 PolarHBondContact O-N 3.41Å; D138-K254 IonicContact OD2-NZ 3.56Å; D138-K254 PolarHBondContact OD2-NZ 3.45Å; D138-K254 VanDerWaalsContact OD2-NZ 3.08Å; D138-K279 WeakPolarHBondContact O-CD 3.36Å; D138-K279 WeakPolarHBondContact O-CE 3.46Å; D138-K279 PolarHBondContact O-NZ 2.81Å; D138-K279 PolarHBondContact OD1-N 3.31Å |
| 139 | K | 90.5 | Very high | 92.6 | Very high | 120 Ų | 120 | 36.8 Ų | 36.8 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.3 | 170.2 | -58.5 | 177.7 | -177.2 | 173.8 | 0 | 108.6 | I135 Y136 M137 N150 | I135-K139 WeakPolarHBondContact CA-O 3.47Å; Y136-K139 PolarHBondContact N-O 3.47Å; Y136-K139 WeakPolarHBondContact O-CA 3.45Å; Y136-K139 WeakPolarHBondContact O-CB 3.47Å; Y136-K139 PolarHBondContact O-N 3.34Å; Y136-K139 VanDerWaalsContact O-O 3.13Å; M137-K139 PolarHBondContact O-N 2.92Å; M137-K139 VanDerWaalsContact O-N 3.09Å; K139-N150 HydrophobicContact CB-CB 4.18Å; K139-N150 HydrophobicContact CD-CB 4.44Å; K139-N150 HydrophobicContact CG-CB 4.29Å |
| 140 | I | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.8 | 173.6 | -59.2 | 168 | 0 | 0 | 0 | 107.6 | F133 E134 I135 N150 L151 V153 V163 K279 I283 | F133-I140 HydrophobicContact CB-CG2 3.97Å; F133-I140 HydrophobicContact CD2-CG2 3.67Å; F133-I140 HydrophobicContact CE2-CG2 4.41Å; F133-I140 HydrophobicContact CG-CG2 3.99Å; E134-I140 CarbonylContact O-C 3.58Å; E134-I140 WeakPolarHBondContact O-CA 3.29Å; I135-I140 HydrophobicContact CG1-CG1 4.26Å; I135-I140 HydrophobicContact CG2-CG1 4.49Å; I140-N150 CarbonylContact O-C 3.54Å; I140-N150 WeakPolarHBondContact O-CA 3.46Å; I140-N150 PolarHBondContact O-N 2.89Å; I140-L151 HydrophobicContact CB-CB 4.06Å; I140-L151 HydrophobicContact CG2-CB 4.12Å; I140-L151 HydrophobicContact CG2-CD1 4.31Å; I140-L151 PolarHBondContact O-N 3.46Å; I140-V153 HydrophobicContact CD1-CG2 3.57Å; I140-V163 HydrophobicContact CD1-CG1 3.98Å; I140-V163 HydrophobicContact CD1-CG2 4.01Å; I140-V163 HydrophobicContact CG2-CG1 4.1Å; I140-K279 HydrophobicContact CD1-CB 4.27Å; I140-K279 HydrophobicContact CD1-CD 3.79Å; I140-K279 HydrophobicContact CG1-CB 4.43Å; I140-K279 HydrophobicContact CG1-CD 3.81Å; I140-I283 HydrophobicContact CD1-CD1 3.8Å |
| 141 | R | 92.7 | Very high | 92.2 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 27% | 0.272 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.7 | 171.1 | -178.2 | -156 | -64.5 | -81.9 | 4.3 | 108.3 | F133 E134 T149 | F133-R141 CarbonylContact C-O 3.57Å; F133-R141 VanDerWaalsContact CA-O 3.26Å; F133-R141 WeakPolarHBondContact CA-O 3.42Å; F133-R141 VanDerWaalsContact CB-O 3.23Å; F133-R141 WeakPolarHBondContact CB-O 3.33Å; E134-R141 HydrophobicContact CG-CB 3.87Å; E134-R141 PolarHBondContact N-O 3.28Å; E134-R141 PolarHBondContact O-N 2.91Å; E134-R141 WeakPolarHBondContact OE1-CD 3.19Å; E134-R141 IonicContact OE1-NE 2.77Å; E134-R141 PolarHBondContact OE1-NE 3.25Å; R141-T149 HydrophobicContact CG-CG2 4.48Å |
| 142 | D | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 130.4 | 169.1 | -161 | -35.7 | 0 | 0 | 0 | 109.9 | L144 D145 K148 L151 T167 | D142-L144 WeakPolarHBondContact OD1-CA 3.36Å; D142-L144 PolarHBondContact OD1-N 3.34Å; D142-D145 PolarHBondContact OD1-N 2.83Å; D142-K148 HydrophobicContact CB-CB 3.64Å; D142-K148 HydrophobicContact CB-CD 4.32Å; D142-K148 PolarHBondContact N-O 3.26Å; D142-K148 VanDerWaalsContact N-O 3.09Å; D142-K148 WeakPolarHBondContact OD2-CD 3.46Å; D142-K148 IonicContact OD2-NZ 3.28Å; D142-L151 HydrophobicContact CB-CD1 4.19Å; D142-T167 WeakPolarHBondContact OD2-CB 3.07Å; D142-T167 PolarHBondContact OD2-N 3.12Å; D142-T167 PolarHBondContact OD2-OG1 3.32Å |
| 143 | L | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -93 | -9.9 | 177.4 | -66.4 | 177.7 | 0 | 0 | 0 | 112.2 | Y132 E134 G184 N187 R188 | Y132-L143 HydrophobicContact CD1-CB 4.32Å; Y132-L143 HydrophobicContact CD1-CD1 4.22Å; Y132-L143 HydrophobicContact CD2-CD1 3.76Å; Y132-L143 HydrophobicContact CE1-CD1 4.17Å; Y132-L143 HydrophobicContact CE2-CD1 3.71Å; Y132-L143 HydrophobicContact CG-CB 4.16Å; Y132-L143 HydrophobicContact CG-CD1 4.01Å; Y132-L143 WeakPolarHBondContact O-CB 3.27Å; Y132-L143 PolarHBondContact O-N 2.88Å; E134-L143 HydrophobicContact CB-CD1 4.23Å; E134-L143 HydrophobicContact CB-CD2 4.47Å; E134-L143 HydrophobicContact CB-CG 4.45Å; E134-L143 HydrophobicContact CG-CD2 4Å; E134-L143 HydrophobicContact CG-CG 4.39Å; L143-G184 WeakPolarHBondContact O-CA 3.47Å; L143-N187 WeakPolarHBondContact O-CB 3.14Å; L143-N187 PolarHBondContact O-ND2 3.12Å; L143-R188 HydrophobicContact CD1-CB 4.34Å; L143-R188 HydrophobicContact CD1-CG 4.47Å; L143-R188 HydrophobicContact CD2-CB 3.81Å; L143-R188 HydrophobicContact CD2-CG 4.18Å |
| 144 | L | 94.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -103 | -0.5 | 177.8 | -50.9 | -174.6 | 0 | 0 | 0 | 112.9 | D142 T167 R169 V180 | D142-L144 WeakPolarHBondContact OD1-CA 3.36Å; D142-L144 PolarHBondContact OD1-N 3.34Å; L144-T167 HydrophobicContact CB-CG2 4.01Å; L144-R169 HydrophobicContact CD1-CG 4.28Å; L144-R169 PolarHBondContact O-NH2 2.86Å; L144-V180 HydrophobicContact CD1-CG1 3.67Å; L144-V180 HydrophobicContact CD2-CG1 3.61Å; L144-V180 WeakPolarHBondContact CD2-O 3.44Å; L144-V180 HydrophobicContact CG-CG1 4.3Å |
| 145 | D | 93.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | trans | -156.8 | 95.8 | 171.4 | 176.3 | -4.9 | 0 | 0 | 0 | 109.6 | D142 S147 K148 | D142-D145 PolarHBondContact OD1-N 2.83Å; D145-S147 PolarHBondContact O-N 2.69Å; D145-S147 VanDerWaalsContact OD1-CB 3.28Å; D145-S147 WeakPolarHBondContact OD1-CB 3.25Å; D145-S147 PolarHBondContact OD1-N 3.06Å; D145-S147 PolarHBondContact OD1-OG 3.37Å; D145-S147 PolarHBondContact OD2-OG 2.58Å; D145-K148 HydrophobicContact CB-CD 3.98Å; D145-K148 HydrophobicContact CB-CG 4.37Å; D145-K148 PolarHBondContact O-N 2.91Å; D145-K148 VanDerWaalsContact OD2-CD 3.31Å; D145-K148 WeakPolarHBondContact OD2-CD 3.36Å; D145-K148 WeakPolarHBondContact OD2-CE 3.34Å; D145-K148 WeakPolarHBondContact OD2-CG 3.31Å; D145-K148 IonicContact OD2-NZ 3.82Å | ||
| 146 | V | 87.4 | Confident | 91.3 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.9 | -174.8 | -175.2 | 0 | 0 | 0 | 0 | 113.3 | K148 N187 | V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 3.22Å; V146-N187 HydrophobicContact CG2-CB 3.7Å; V146-N187 WeakPolarHBondContact CG2-OD1 3.43Å |
| 147 | S | 88.8 | Confident | 91 | Very high | 95 Ų | 95 | 59 Ų | 59 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.6 | 175.9 | 79.1 | 0 | 0 | 0 | 0 | 112.7 | D145 T149 | D145-S147 PolarHBondContact O-N 2.69Å; D145-S147 VanDerWaalsContact OD1-CB 3.28Å; D145-S147 WeakPolarHBondContact OD1-CB 3.25Å; D145-S147 PolarHBondContact OD1-N 3.06Å; D145-S147 PolarHBondContact OD1-OG 3.37Å; D145-S147 PolarHBondContact OD2-OG 2.58Å; S147-T149 PolarHBondContact O-N 3Å |
| 148 | K | 91.1 | Very high | 90.9 | Very high | 64 Ų | 64 | 62.1 Ų | 62.1 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | trans | -83.1 | 83.4 | -176 | -72.1 | 174.3 | -176.8 | 169.3 | 0 | 112 | D142 D145 V146 L151 G165 T167 | D142-K148 HydrophobicContact CB-CB 3.64Å; D142-K148 HydrophobicContact CB-CD 4.32Å; D142-K148 PolarHBondContact N-O 3.26Å; D142-K148 VanDerWaalsContact N-O 3.09Å; D142-K148 WeakPolarHBondContact OD2-CD 3.46Å; D142-K148 IonicContact OD2-NZ 3.28Å; D145-K148 HydrophobicContact CB-CD 3.98Å; D145-K148 HydrophobicContact CB-CG 4.37Å; D145-K148 PolarHBondContact O-N 2.91Å; D145-K148 VanDerWaalsContact OD2-CD 3.31Å; D145-K148 WeakPolarHBondContact OD2-CD 3.36Å; D145-K148 WeakPolarHBondContact OD2-CE 3.34Å; D145-K148 WeakPolarHBondContact OD2-CG 3.31Å; D145-K148 IonicContact OD2-NZ 3.82Å; V146-K148 VanDerWaalsContact C-N 3.3Å; V146-K148 PolarHBondContact O-N 3.22Å; K148-L151 HydrophobicContact CB-CD2 4.17Å; K148-G165 WeakPolarHBondContact CD-O 3.45Å; K148-G165 WeakPolarHBondContact CE-O 3.45Å; K148-G165 PolarHBondContact NZ-O 3.37Å; K148-T167 PolarHBondContact NZ-OG1 3.23Å | ||
| 149 | T | 89.6 | Confident | 90.6 | Very high | 88 Ų | 88 | 69.6 Ų | 69.6 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.5 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | R141 S147 | R141-T149 HydrophobicContact CG-CG2 4.48Å; S147-T149 PolarHBondContact O-N 3Å |
| 150 | N | 91 | Very high | 90.4 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.3 | 48.5 | 179.4 | -168.8 | 31.8 | 0 | 0 | 0 | 115.8 | K139 I140 K279 | K139-N150 HydrophobicContact CB-CB 4.18Å; K139-N150 HydrophobicContact CD-CB 4.44Å; K139-N150 HydrophobicContact CG-CB 4.29Å; I140-N150 CarbonylContact O-C 3.54Å; I140-N150 WeakPolarHBondContact O-CA 3.46Å; I140-N150 PolarHBondContact O-N 2.89Å; N150-K279 PolarHBondContact OD1-NZ 3.18Å |
| 151 | L | 95.3 | Very high | 90.2 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 144.7 | 177.3 | -63.4 | 174.5 | 0 | 0 | 0 | 112.7 | I140 D142 K148 V163 A166 K279 | I140-L151 HydrophobicContact CB-CB 4.06Å; I140-L151 HydrophobicContact CG2-CB 4.12Å; I140-L151 HydrophobicContact CG2-CD1 4.31Å; I140-L151 PolarHBondContact O-N 3.46Å; D142-L151 HydrophobicContact CB-CD1 4.19Å; K148-L151 HydrophobicContact CB-CD2 4.17Å; L151-V163 HydrophobicContact CB-CG1 3.69Å; L151-V163 HydrophobicContact CD1-CG1 3.82Å; L151-V163 HydrophobicContact CG-CG1 4.41Å; L151-A166 HydrophobicContact CD1-CB 3.94Å; L151-K279 PolarHBondContact O-NZ 3.11Å |
| 152 | P | 94.7 | Very high | 90.2 | Very high | 59 Ų | 59 | 66.7 Ų | 66.7 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 144.7 | 176.1 | 34.1 | -32.8 | 0 | 0 | 0 | 112.3 | K164 | P152-K164 HydrophobicContact CG-CB 4.35Å; P152-K164 PolarHBondContact O-N 2.97Å |
| 153 | V | 95 | Very high | 90.2 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.1 | 169.1 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | I140 P161 Y162 K279 R282 I283 | I140-V153 HydrophobicContact CD1-CG2 3.57Å; V153-P161 HydrophobicContact CG1-CB 3.96Å; V153-Y162 CarbonylContact C-O 3.55Å; V153-Y162 WeakPolarHBondContact CA-O 3.31Å; V153-K279 HydrophobicContact CG2-CB 4.12Å; V153-K279 HydrophobicContact CG2-CD 4.35Å; V153-K279 HydrophobicContact CG2-CG 4.26Å; V153-R282 HydrophobicContact CG1-CB 4.06Å; V153-R282 PolarHBondContact O-NH1 2.89Å; V153-R282 PolarHBondContact O-NH2 3.46Å; V153-I283 HydrophobicContact CG1-CG1 4.47Å; V153-I283 HydrophobicContact CG2-CD1 4.05Å; V153-I283 HydrophobicContact CG2-CG1 4.01Å |
| 154 | H | 92.1 | Very high | 90.1 | Very high | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 166.8 | 173.5 | -84.3 | -114.3 | 0 | 0 | 0 | 110.3 | P161 Y162 K164 | H154-P161 CarbonylContact O-C 3.54Å; H154-P161 VanDerWaalsContact O-CA 3.22Å; H154-P161 WeakPolarHBondContact O-CA 3.34Å; H154-Y162 HydrophobicContact CB-CD1 4.23Å; H154-Y162 HydrophobicContact CB-CE1 3.62Å; H154-Y162 HydrophobicContact CB-CE2 4.09Å; H154-Y162 PolarHBondContact N-O 3.09Å; H154-Y162 PolarHBondContact O-N 2.77Å; H154-K164 HydrophobicContact CB-CB 4.32Å |
| 155 | E | 89.9 | Confident | 90 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.2 | 167.1 | -75.7 | 152.7 | -147.7 | 0 | 0 | 106.9 | V160 R276 R282 | E155-V160 WeakPolarHBondContact CA-O 3.3Å; E155-R276 VanDerWaalsContact CD-NH2 3.25Å; E155-R276 IonicContact OE1-CZ 3.44Å; E155-R276 IonicContact OE1-NE 2.71Å; E155-R276 IonicContact OE1-NH2 2.7Å; E155-R276 PolarHBondContact OE1-NH2 3.22Å; E155-R276 IonicContact OE2-NH2 3.15Å; E155-R276 PolarHBondContact OE2-NH2 3.32Å; E155-R282 IonicContact OE1-CZ 3.88Å; E155-R282 IonicContact OE1-NE 3.72Å; E155-R282 IonicContact OE1-NH2 3.86Å; E155-R282 PolarHBondContact OE1-NH2 2.88Å |
| 156 | D | 85.5 | Confident | 90 | Very high | 65 Ų | 65 | 73.2 Ų | 73.2 | 35% | 0.348 | 38% | 0.379 | S | S | . | . | trans | -90.9 | -164.8 | 177.8 | 68.5 | 15.2 | 0 | 0 | 0 | 112.8 | D158 R159 V160 Y162 | D156-D158 VanDerWaalsContact C-N 3.26Å; D156-D158 PolarHBondContact O-N 3.31Å; D156-D158 PolarHBondContact OD1-N 2.88Å; D156-R159 PolarHBondContact O-N 2.97Å; D156-R159 VanDerWaalsContact O-N 3.17Å; D156-R159 PolarHBondContact OD1-N 3.41Å; D156-R159 VanDerWaalsContact OD1-N 3.12Å; D156-V160 PolarHBondContact N-O 2.79Å; D156-V160 PolarHBondContact OD1-N 2.8Å; D156-Y162 HydrophobicContact CB-CD1 4.09Å; D156-Y162 HydrophobicContact CB-CE1 3.92Å | ||
| 157 | K | 82.6 | Confident | 90.5 | Very high | 202 Ų | 202 | 71.1 Ų | 71.1 | 88% | 0.878 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -36.7 | -178.7 | -67 | -174.9 | 179 | -177.7 | 0 | 112.3 | R159 | K157-R159 VanDerWaalsContact C-N 3.25Š|
| 158 | D | 81.4 | Confident | 90.9 | Very high | 132 Ų | 132 | 70.8 Ų | 70.8 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.9 | -177.7 | -55.2 | -70.2 | 0 | 0 | 0 | 111.5 | D156 V160 | D156-D158 VanDerWaalsContact C-N 3.26Å; D156-D158 PolarHBondContact O-N 3.31Å; D156-D158 PolarHBondContact OD1-N 2.88Å; D158-V160 HydrophobicContact CB-CG2 4.41Å; D158-V160 PolarHBondContact O-N 2.97Å |
| 159 | R | 83 | Confident | 91.1 | Very high | 197 Ų | 197 | 71.1 Ų | 71.1 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | trans | 65.5 | 20.1 | -178.4 | -49.1 | -180 | -177.3 | -176.3 | 0.8 | 113.9 | D156 K157 | D156-R159 PolarHBondContact O-N 2.97Å; D156-R159 VanDerWaalsContact O-N 3.17Å; D156-R159 PolarHBondContact OD1-N 3.41Å; D156-R159 VanDerWaalsContact OD1-N 3.12Å; K157-R159 VanDerWaalsContact C-N 3.25Å | ||
| 160 | V | 85.8 | Confident | 91.4 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | trans | -76.9 | 130.2 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 109 | E155 D156 D158 E286 | E155-V160 WeakPolarHBondContact CA-O 3.3Å; D156-V160 PolarHBondContact N-O 2.79Å; D156-V160 PolarHBondContact OD1-N 2.8Å; D158-V160 HydrophobicContact CB-CG2 4.41Å; D158-V160 PolarHBondContact O-N 2.97Å; V160-E286 VanDerWaalsContact CG1-CD 3.43Å; V160-E286 HydrophobicContact CG1-CG 3.93Å; V160-E286 VanDerWaalsContact CG1-OE2 3.24Å; V160-E286 WeakPolarHBondContact CG1-OE2 3.3Å | ||
| 161 | P | 91.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 137.6 | -177.6 | 26.5 | -28.8 | 0 | 0 | 0 | 112.7 | V153 H154 R282 Q285 | V153-P161 HydrophobicContact CG1-CB 3.96Å; H154-P161 CarbonylContact O-C 3.54Å; H154-P161 VanDerWaalsContact O-CA 3.22Å; H154-P161 WeakPolarHBondContact O-CA 3.34Å; P161-R282 WeakPolarHBondContact CB-O 3.37Å; P161-R282 WeakPolarHBondContact CG-O 3.44Å; P161-Q285 HydrophobicContact CG-CB 3.86Å |
| 162 | Y | 92.3 | Very high | 91.5 | Very high | 96 Ų | 96 | 73.6 Ų | 73.6 | 38% | 0.376 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154 | 177 | 71.2 | -83.9 | 0 | 0 | 0 | 112.1 | V153 H154 D156 K164 | V153-Y162 CarbonylContact C-O 3.55Å; V153-Y162 WeakPolarHBondContact CA-O 3.31Å; H154-Y162 HydrophobicContact CB-CD1 4.23Å; H154-Y162 HydrophobicContact CB-CE1 3.62Å; H154-Y162 HydrophobicContact CB-CE2 4.09Å; H154-Y162 PolarHBondContact N-O 3.09Å; H154-Y162 PolarHBondContact O-N 2.77Å; D156-Y162 HydrophobicContact CB-CD1 4.09Å; D156-Y162 HydrophobicContact CB-CE1 3.92Å; Y162-K164 HydrophobicContact CD2-CB 4.4Å; Y162-K164 HydrophobicContact CE2-CB 3.83Å; Y162-K164 HydrophobicContact CE2-CG 4.28Å; Y162-K164 PolarHBondContact O-N 3.37Å |
| 163 | V | 95.2 | Very high | 91.5 | Very high | 21 Ų | 21 | 72 Ų | 72 | 13% | 0.127 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 105.7 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | F133 I140 L151 G165 A166 I283 | F133-V163 HydrophobicContact CE1-CG2 4.14Å; F133-V163 HydrophobicContact CE2-CG2 4.1Å; F133-V163 HydrophobicContact CZ-CG2 3.71Å; I140-V163 HydrophobicContact CD1-CG1 3.98Å; I140-V163 HydrophobicContact CD1-CG2 4.01Å; I140-V163 HydrophobicContact CG2-CG1 4.1Å; L151-V163 HydrophobicContact CB-CG1 3.69Å; L151-V163 HydrophobicContact CD1-CG1 3.82Å; L151-V163 HydrophobicContact CG-CG1 4.41Å; V163-G165 PolarHBondContact O-N 3.15Å; V163-A166 HydrophobicContact CB-CB 4.07Å; V163-A166 HydrophobicContact CG1-CB 3.89Å; V163-I283 HydrophobicContact CG2-CD1 3.7Å; V163-I283 HydrophobicContact CG2-CG1 4.05Å |
| 164 | K | 92.7 | Very high | 91.4 | Very high | 109 Ų | 109 | 71.9 Ų | 71.9 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 121.2 | -176.6 | -178.9 | -178.4 | 176 | -177.6 | 0 | 110.5 | P152 H154 Y162 | P152-K164 HydrophobicContact CG-CB 4.35Å; P152-K164 PolarHBondContact O-N 2.97Å; H154-K164 HydrophobicContact CB-CB 4.32Å; Y162-K164 HydrophobicContact CD2-CB 4.4Å; Y162-K164 HydrophobicContact CE2-CB 3.83Å; Y162-K164 HydrophobicContact CE2-CG 4.28Å; Y162-K164 PolarHBondContact O-N 3.37Å |
| 165 | G | 91.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 73.4 Ų | 73.4 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K148 V163 | K148-G165 WeakPolarHBondContact CD-O 3.45Å; K148-G165 WeakPolarHBondContact CE-O 3.45Å; K148-G165 PolarHBondContact NZ-O 3.37Å; V163-G165 PolarHBondContact O-N 3.15Å |
| 166 | A | 94.8 | Very high | 91.8 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | trans | -56.5 | 141.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L151 V163 | L151-A166 HydrophobicContact CD1-CB 3.94Å; V163-A166 HydrophobicContact CB-CB 4.07Å; V163-A166 HydrophobicContact CG1-CB 3.89Å | ||
| 167 | T | 96.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | trans | -74.6 | 127.3 | 179.2 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | S131 D142 L144 K148 R169 | S131-T167 WeakPolarHBondContact CA-O 3.2Å; S131-T167 VanDerWaalsContact CB-O 3.22Å; S131-T167 WeakPolarHBondContact CB-O 3.33Å; S131-T167 PolarHBondContact OG-O 3.36Å; D142-T167 WeakPolarHBondContact OD2-CB 3.07Å; D142-T167 PolarHBondContact OD2-N 3.12Å; D142-T167 PolarHBondContact OD2-OG1 3.32Å; L144-T167 HydrophobicContact CB-CG2 4.01Å; K148-T167 PolarHBondContact NZ-OG1 3.23Å; T167-R169 HydrophobicContact CG2-CG 4.21Å | ||
| 168 | E | 96.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 62.9 Ų | 62.9 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | trans | -116.7 | 123.7 | 172.1 | -53.4 | -172 | 124.1 | 0 | 0 | 107.8 | K129 V130 | K129-E168 HydrophobicContact CD-CB 4.13Å; K129-E168 WeakPolarHBondContact CD-OE2 3.43Å; K129-E168 IonicContact NZ-OE1 3.13Å; K129-E168 PolarHBondContact NZ-OE1 3.46Å; K129-E168 IonicContact NZ-OE2 2.65Å; K129-E168 PolarHBondContact NZ-OE2 2.75Å; V130-E168 CarbonylContact O-C 3.53Å; V130-E168 WeakPolarHBondContact O-CA 3.26Å | ||
| 169 | R | 96 | Very high | 93.4 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.6 | 176.7 | -62.5 | -174.3 | -175.9 | -178.3 | 7.2 | 109.3 | K129 V130 L144 T167 E183 | K129-R169 CarbonylContact C-O 3.49Å; K129-R169 WeakPolarHBondContact CA-O 3.46Å; V130-R169 HydrophobicContact CG2-CB 4.47Å; V130-R169 PolarHBondContact N-O 3.13Å; V130-R169 PolarHBondContact O-N 3.01Å; L144-R169 HydrophobicContact CD1-CG 4.28Å; L144-R169 PolarHBondContact O-NH2 2.86Å; T167-R169 HydrophobicContact CG2-CG 4.21Å; R169-E183 IonicContact CZ-OE1 2.65Å; R169-E183 IonicContact CZ-OE2 3.75Å; R169-E183 VanDerWaalsContact CZ-OE2 3.29Å; R169-E183 IonicContact NH1-OE1 3.28Å; R169-E183 IonicContact NH1-OE2 3.73Å; R169-E183 PolarHBondContact NH1-OE2 3.07Å; R169-E183 IonicContact NH2-OE1 3.08Å; R169-E183 PolarHBondContact NH2-OE1 3.17Å; R169-E183 IonicContact NH2-OE2 2.65Å; R169-E183 PolarHBondContact NH2-OE2 3.25Å |
| 170 | F | 96.5 | Very high | 94 | Very high | 144 Ų | 144 | 53.1 Ų | 53.1 | 63% | 0.632 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 145.9 | 170.2 | -69.1 | -84.5 | 0 | 0 | 0 | 109.8 | I128 K129 | I128-F170 WeakPolarHBondContact O-CA 3.49Å; K129-F170 HydrophobicContact CB-CD1 4.06Å; K129-F170 HydrophobicContact CB-CE1 4.19Å |
| 171 | V | 95.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.3 | -174.9 | -72 | 0 | 0 | 0 | 0 | 111 | I128 V130 E176 V177 | I128-V171 HydrophobicContact CB-CG2 3.95Å; I128-V171 HydrophobicContact CG2-CG2 3.62Å; I128-V171 PolarHBondContact O-N 3.35Å; I128-V171 VanDerWaalsContact O-N 3.11Å; V130-V171 HydrophobicContact CG1-CG2 4.04Å; V130-V171 HydrophobicContact CG2-CG1 3.69Å; V130-V171 HydrophobicContact CG2-CG2 4.22Å; V171-E176 WeakPolarHBondContact CA-OE2 3.2Å; V171-E176 HydrophobicContact CB-CB 4.31Å; V171-E176 HydrophobicContact CG1-CB 4.1Å; V171-V177 HydrophobicContact CB-CG2 3.9Å; V171-V177 HydrophobicContact CG1-CG2 4.1Å; V171-V177 HydrophobicContact CG2-CG2 3.82Å |
| 172 | S | 92.6 | Very high | 94.4 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 58% | 0.58 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -120.1 | -19.6 | -165.7 | -35.2 | 0 | 0 | 0 | 0 | 113 | F114 E176 | F114-S172 VanDerWaalsContact CE1-C 3.49Å; F114-S172 WeakPolarHBondContact CE1-O 3.48Å; S172-E176 VanDerWaalsContact CB-OE2 3.32Å; S172-E176 WeakPolarHBondContact CB-OE2 3.3Å; S172-E176 PolarHBondContact N-OE2 3.18Å; S172-E176 PolarHBondContact OG-OE2 2.85Å |
| 173 | S | 93.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -146.1 | 165.4 | 177.2 | 83.5 | 0 | 0 | 0 | 0 | 111.4 | F114 E175 E176 | F114-S173 VanDerWaalsContact CE2-C 3.43Å; F114-S173 WeakPolarHBondContact CE2-O 3.34Å; F114-S173 VanDerWaalsContact CZ-C 3.4Å; F114-S173 WeakPolarHBondContact CZ-O 3.47Å; S173-E175 WeakPolarHBondContact CB-OE2 3.42Å; S173-E175 PolarHBondContact O-N 2.67Å; S173-E175 PolarHBondContact OG-N 3.17Å; S173-E175 PolarHBondContact OG-OE2 3.02Å; S173-E176 PolarHBondContact O-N 3.01Å |
| 174 | P | 94 | Very high | 94.3 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55 | -37.5 | 175.7 | -26 | 34.5 | 0 | 0 | 0 | 113.7 | I110 F114 V177 F178 | I110-P174 HydrophobicContact CG2-CB 3.95Å; F114-P174 HydrophobicContact CB-CG 3.9Å; F114-P174 HydrophobicContact CD2-CB 4.23Å; F114-P174 HydrophobicContact CD2-CG 3.68Å; F114-P174 HydrophobicContact CE2-CG 4.42Å; F114-P174 HydrophobicContact CG-CG 3.9Å; P174-V177 WeakPolarHBondContact O-CB 3.23Å; P174-V177 PolarHBondContact O-N 2.85Å; P174-V177 VanDerWaalsContact O-N 3.08Å; P174-F178 HydrophobicContact CB-CE2 4.06Å; P174-F178 WeakPolarHBondContact O-CD2 3.45Å; P174-F178 PolarHBondContact O-N 3.49Å; P174-F178 VanDerWaalsContact O-N 3.1Å |
| 175 | E | 94 | Very high | 94 | Very high | 105 Ų | 105 | 50.4 Ų | 50.4 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | -174.7 | -57.6 | 69.2 | -141.4 | 0 | 0 | 111.1 | S173 V177 F178 D179 | S173-E175 WeakPolarHBondContact CB-OE2 3.42Å; S173-E175 PolarHBondContact O-N 2.67Å; S173-E175 PolarHBondContact OG-N 3.17Å; S173-E175 PolarHBondContact OG-OE2 3.02Å; E175-V177 PolarHBondContact O-N 3.11Å; E175-V177 VanDerWaalsContact O-N 3.16Å; E175-F178 PolarHBondContact O-N 3.16Å; E175-D179 PolarHBondContact O-N 3Å |
| 176 | E | 95.4 | Very high | 93.8 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.8 | -26.2 | 173.7 | -65.5 | 179.4 | -176.8 | 0 | 0 | 112.3 | V171 S172 S173 V180 | V171-E176 WeakPolarHBondContact CA-OE2 3.2Å; V171-E176 HydrophobicContact CB-CB 4.31Å; V171-E176 HydrophobicContact CG1-CB 4.1Å; S172-E176 VanDerWaalsContact CB-OE2 3.32Å; S172-E176 WeakPolarHBondContact CB-OE2 3.3Å; S172-E176 PolarHBondContact N-OE2 3.18Å; S172-E176 PolarHBondContact OG-OE2 2.85Å; S173-E176 PolarHBondContact O-N 3.01Å; E176-V180 VanDerWaalsContact O-CG2 3.25Å; E176-V180 WeakPolarHBondContact O-CG2 3.43Å; E176-V180 PolarHBondContact O-N 2.99Å |
| 177 | V | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79 | -34.8 | 173.9 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | I110 F114 V130 V171 P174 E175 V180 I181 F206 | I110-V177 HydrophobicContact CD1-CB 4.16Å; I110-V177 HydrophobicContact CD1-CG1 3.5Å; I110-V177 VanDerWaalsContact CD1-CG1 3.5Å; I110-V177 HydrophobicContact CG1-CB 4.49Å; I110-V177 HydrophobicContact CG1-CG1 3.93Å; I110-V177 HydrophobicContact CG2-CB 3.96Å; I110-V177 HydrophobicContact CG2-CG1 4.31Å; I110-V177 HydrophobicContact CG2-CG2 4.13Å; F114-V177 HydrophobicContact CE2-CG2 3.79Å; F114-V177 HydrophobicContact CZ-CG2 4.29Å; V130-V177 HydrophobicContact CG1-CG1 4.17Å; V171-V177 HydrophobicContact CB-CG2 3.9Å; V171-V177 HydrophobicContact CG1-CG2 4.1Å; V171-V177 HydrophobicContact CG2-CG2 3.82Å; P174-V177 WeakPolarHBondContact O-CB 3.23Å; P174-V177 PolarHBondContact O-N 2.85Å; P174-V177 VanDerWaalsContact O-N 3.08Å; E175-V177 PolarHBondContact O-N 3.11Å; E175-V177 VanDerWaalsContact O-N 3.16Å; V177-V180 PolarHBondContact O-N 3.3Å; V177-I181 HydrophobicContact CG1-CD1 4.24Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 2.74Å; V177-F206 HydrophobicContact CG1-CE1 4.12Å; V177-F206 HydrophobicContact CG1-CZ 3.69Å |
| 178 | F | 94.4 | Very high | 93 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 175.3 | -64.8 | -49.9 | 0 | 0 | 0 | 112 | P107 I110 H111 P174 E175 V180 I181 D182 | P107-F178 HydrophobicContact CB-CE1 3.62Å; P107-F178 HydrophobicContact CB-CZ 3.89Å; I110-F178 HydrophobicContact CB-CZ 4.32Å; I110-F178 HydrophobicContact CD1-CD1 4.37Å; I110-F178 HydrophobicContact CD1-CE1 3.82Å; I110-F178 HydrophobicContact CD1-CZ 4.41Å; I110-F178 HydrophobicContact CG2-CZ 4.15Å; H111-F178 AromaticContact CE1-CE2 3.73Å; H111-F178 AromaticContact NE2-CE2 3.59Å; H111-F178 AromaticContact NE2-CZ 3.66Å; P174-F178 HydrophobicContact CB-CE2 4.06Å; P174-F178 WeakPolarHBondContact O-CD2 3.45Å; P174-F178 PolarHBondContact O-N 3.49Å; P174-F178 VanDerWaalsContact O-N 3.1Å; E175-F178 PolarHBondContact O-N 3.16Å; F178-V180 VanDerWaalsContact C-N 3.27Å; F178-V180 PolarHBondContact O-N 3.39Å; F178-I181 HydrophobicContact CD1-CD1 4.36Å; F178-I181 PolarHBondContact O-N 2.67Å; F178-I181 VanDerWaalsContact O-N 3.09Å; F178-D182 PolarHBondContact O-N 2.75Å |
| 179 | D | 94.1 | Very high | 91.7 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 62% | 0.62 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -54.4 | -44.6 | 171.3 | -71.9 | -26.5 | 0 | 0 | 0 | 111.5 | E175 D182 E183 | E175-D179 PolarHBondContact O-N 3Å; D179-D182 PolarHBondContact O-N 3.23Å; D179-E183 WeakPolarHBondContact O-CB 3.42Å; D179-E183 PolarHBondContact O-N 3.02Å |
| 180 | V | 95.3 | Very high | 90 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.9 | -34.6 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 112.6 | V130 L144 E176 V177 F178 G184 F206 | V130-V180 HydrophobicContact CG2-CB 4.42Å; V130-V180 HydrophobicContact CG2-CG1 3.83Å; V130-V180 HydrophobicContact CG2-CG2 4.5Å; L144-V180 HydrophobicContact CD1-CG1 3.67Å; L144-V180 HydrophobicContact CD2-CG1 3.61Å; L144-V180 WeakPolarHBondContact CD2-O 3.44Å; L144-V180 HydrophobicContact CG-CG1 4.3Å; E176-V180 VanDerWaalsContact O-CG2 3.25Å; E176-V180 WeakPolarHBondContact O-CG2 3.43Å; E176-V180 PolarHBondContact O-N 2.99Å; V177-V180 PolarHBondContact O-N 3.3Å; F178-V180 VanDerWaalsContact C-N 3.27Å; F178-V180 PolarHBondContact O-N 3.39Å; V180-G184 PolarHBondContact O-N 3.06Å; V180-G184 VanDerWaalsContact O-N 3.15Å; V180-F206 HydrophobicContact CG1-CE2 4.48Å |
| 181 | I | 93.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -47.1 | 174.4 | -76 | 168.5 | 0 | 0 | 0 | 110.6 | L97 I106 I110 V177 F178 G184 K185 F206 | L97-I181 HydrophobicContact CD1-CG2 3.91Å; I106-I181 HydrophobicContact CG2-CD1 3.74Å; I110-I181 HydrophobicContact CD1-CD1 3.54Å; V177-I181 HydrophobicContact CG1-CD1 4.24Å; V177-I181 WeakPolarHBondContact O-CG1 3.41Å; V177-I181 PolarHBondContact O-N 2.74Å; F178-I181 HydrophobicContact CD1-CD1 4.36Å; F178-I181 PolarHBondContact O-N 2.67Å; F178-I181 VanDerWaalsContact O-N 3.09Å; I181-G184 CarbonylContact O-C 3.55Å; I181-G184 PolarHBondContact O-N 3Å; I181-K185 HydrophobicContact CG2-CD 4.26Å; I181-K185 WeakPolarHBondContact O-CG 3.35Å; I181-K185 PolarHBondContact O-N 2.8Å; I181-F206 HydrophobicContact CD1-CE1 4.23Å; I181-F206 HydrophobicContact CD1-CE2 4.15Å; I181-F206 HydrophobicContact CD1-CZ 3.86Å; I181-F206 HydrophobicContact CG1-CD2 4.11Å; I181-F206 HydrophobicContact CG1-CE1 4.41Å; I181-F206 HydrophobicContact CG1-CE2 3.45Å; I181-F206 VanDerWaalsContact CG1-CE2 3.45Å; I181-F206 HydrophobicContact CG1-CZ 3.63Å |
| 182 | D | 92.3 | Very high | 85.7 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -74.8 | -32.6 | -175.5 | -77.2 | -22.3 | 0 | 0 | 0 | 112.7 | L97 F178 D179 K185 A186 | L97-D182 VanDerWaalsContact CD1-OD1 3.26Å; L97-D182 WeakPolarHBondContact CD1-OD1 3.21Å; F178-D182 PolarHBondContact O-N 2.75Å; D179-D182 PolarHBondContact O-N 3.23Å; D182-K185 PolarHBondContact O-N 3.28Å; D182-A186 WeakPolarHBondContact O-CB 3.44Å; D182-A186 PolarHBondContact O-N 3Å |
| 183 | E | 93.2 | Very high | 83.4 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 165.5 | -167.1 | -162.8 | 130.3 | 0 | 0 | 110.7 | R169 D179 K185 A186 N187 | R169-E183 IonicContact CZ-OE1 2.65Å; R169-E183 IonicContact CZ-OE2 3.75Å; R169-E183 VanDerWaalsContact CZ-OE2 3.29Å; R169-E183 IonicContact NH1-OE1 3.28Å; R169-E183 IonicContact NH1-OE2 3.73Å; R169-E183 PolarHBondContact NH1-OE2 3.07Å; R169-E183 IonicContact NH2-OE1 3.08Å; R169-E183 PolarHBondContact NH2-OE1 3.17Å; R169-E183 IonicContact NH2-OE2 2.65Å; R169-E183 PolarHBondContact NH2-OE2 3.25Å; D179-E183 WeakPolarHBondContact O-CB 3.42Å; D179-E183 PolarHBondContact O-N 3.02Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 2.89Å; E183-A186 PolarHBondContact O-N 3.38Å; E183-N187 WeakPolarHBondContact O-CB 3.38Å; E183-N187 PolarHBondContact O-N 3.04Å; E183-N187 PolarHBondContact O-ND2 2.91Å; E183-N187 PolarHBondContact OE1-ND2 2.68Å |
| 184 | G | 92.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L143 V180 I181 R188 | L143-G184 WeakPolarHBondContact O-CA 3.47Å; V180-G184 PolarHBondContact O-N 3.06Å; V180-G184 VanDerWaalsContact O-N 3.15Å; I181-G184 CarbonylContact O-C 3.55Å; I181-G184 PolarHBondContact O-N 3Å; G184-R188 VanDerWaalsContact O-CB 3.31Å; G184-R188 WeakPolarHBondContact O-CB 3.35Å; G184-R188 PolarHBondContact O-N 3.23Å |
| 185 | K | 87.7 | Confident | 78.3 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 21% | 0.213 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 172.9 | -73 | -177.8 | -171 | -159.3 | 0 | 112.3 | E94 L97 I181 D182 E183 N187 R188 H189 | E94-K185 VanDerWaalsContact CD-CE 3.4Å; E94-K185 VanDerWaalsContact CD-NZ 3.26Å; E94-K185 WeakPolarHBondContact OE1-CE 3.46Å; E94-K185 IonicContact OE1-NZ 2.68Å; E94-K185 WeakPolarHBondContact OE2-CE 3.46Å; E94-K185 IonicContact OE2-NZ 3.68Å; E94-K185 PolarHBondContact OE2-NZ 3.5Å; L97-K185 HydrophobicContact CD1-CD 4.44Å; I181-K185 HydrophobicContact CG2-CD 4.26Å; I181-K185 WeakPolarHBondContact O-CG 3.35Å; I181-K185 PolarHBondContact O-N 2.8Å; D182-K185 PolarHBondContact O-N 3.28Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 2.89Å; K185-N187 VanDerWaalsContact C-N 3.34Å; K185-N187 PolarHBondContact O-N 3.43Å; K185-R188 PolarHBondContact O-N 3.42Å; K185-H189 WeakPolarHBondContact O-CB 3.46Å; K185-H189 PolarHBondContact O-N 2.96Å |
| 186 | A | 87.6 | Confident | 75.9 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D182 E183 R188 H189 V190 | D182-A186 WeakPolarHBondContact O-CB 3.44Å; D182-A186 PolarHBondContact O-N 3Å; E183-A186 PolarHBondContact O-N 3.38Å; A186-R188 PolarHBondContact O-N 3.01Å; A186-H189 PolarHBondContact O-N 2.65Å; A186-H189 VanDerWaalsContact O-N 3.13Å; A186-V190 WeakPolarHBondContact O-CG2 3.23Å; A186-V190 PolarHBondContact O-N 2.96Å |
| 187 | N | 88.1 | Confident | 74 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 175.7 | -73.2 | -24.5 | 0 | 0 | 0 | 112.5 | L143 V146 E183 K185 H189 A191 | L143-N187 WeakPolarHBondContact O-CB 3.14Å; L143-N187 PolarHBondContact O-ND2 3.12Å; V146-N187 HydrophobicContact CG2-CB 3.7Å; V146-N187 WeakPolarHBondContact CG2-OD1 3.43Å; E183-N187 WeakPolarHBondContact O-CB 3.38Å; E183-N187 PolarHBondContact O-N 3.04Å; E183-N187 PolarHBondContact O-ND2 2.91Å; E183-N187 PolarHBondContact OE1-ND2 2.68Å; K185-N187 VanDerWaalsContact C-N 3.34Å; K185-N187 PolarHBondContact O-N 3.43Å; N187-H189 VanDerWaalsContact C-N 3.35Å; N187-A191 PolarHBondContact O-N 2.94Å |
| 188 | R | 86.4 | Confident | 72.4 | Confident | 22 Ų | 22 | 70 Ų | 70 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.2 | -33.9 | 173.5 | -162.2 | 174.4 | -176.4 | -148.1 | -7 | 112.6 | E134 L143 G184 K185 A186 S199 S202 S204 | E134-R188 IonicContact OE2-NE 2.65Å; E134-R188 PolarHBondContact OE2-NE 3.34Å; L143-R188 HydrophobicContact CD1-CB 4.34Å; L143-R188 HydrophobicContact CD1-CG 4.47Å; L143-R188 HydrophobicContact CD2-CB 3.81Å; L143-R188 HydrophobicContact CD2-CG 4.18Å; G184-R188 VanDerWaalsContact O-CB 3.31Å; G184-R188 WeakPolarHBondContact O-CB 3.35Å; G184-R188 PolarHBondContact O-N 3.23Å; K185-R188 PolarHBondContact O-N 3.42Å; A186-R188 PolarHBondContact O-N 3.01Å; R188-S199 PolarHBondContact NH2-O 2.81Å; R188-S202 PolarHBondContact NE-OG 2.87Å; R188-S202 PolarHBondContact NH2-O 3.21Å; R188-S202 PolarHBondContact NH2-OG 2.69Å; R188-S204 PolarHBondContact NH1-OG 3.16Å; R188-S204 VanDerWaalsContact NH1-OG 3.12Å |
| 189 | H | 68.2 | Low | 71.3 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 64% | 0.644 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77.8 | -37.1 | 177.3 | -167.3 | -53.9 | 0 | 0 | 0 | 112.8 | K185 A186 N187 A191 V192 | K185-H189 WeakPolarHBondContact O-CB 3.46Å; K185-H189 PolarHBondContact O-N 2.96Å; A186-H189 PolarHBondContact O-N 2.65Å; A186-H189 VanDerWaalsContact O-N 3.13Å; N187-H189 VanDerWaalsContact C-N 3.35Å; H189-A191 PolarHBondContact O-N 2.69Å; H189-V192 VanDerWaalsContact O-CB 3.26Å; H189-V192 WeakPolarHBondContact O-CB 3.24Å; H189-V192 WeakPolarHBondContact O-CG2 3.43Å; H189-V192 PolarHBondContact O-N 3.41Å |
| 190 | V | 60.6 | Low | 70.7 | Confident | 118 Ų | 118 | 66.2 Ų | 66.2 | 72% | 0.715 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.1 | -24 | 178.4 | 169.2 | 0 | 0 | 0 | 0 | 112 | A186 V192 | A186-V190 WeakPolarHBondContact O-CG2 3.23Å; A186-V190 PolarHBondContact O-N 2.96Å; V190-V192 PolarHBondContact O-N 3.09Å |
| 191 | A | 55.8 | Low | 70.1 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 26% | 0.256 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | N187 H189 T193 | N187-A191 PolarHBondContact O-N 2.94Å; H189-A191 PolarHBondContact O-N 2.69Å; A191-T193 PolarHBondContact O-N 3.44Å |
| 192 | V | 46.9 | Very low | 69.9 | Low | 44 Ų | 44 | 68.5 Ų | 68.5 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | trans | -84.8 | 90.5 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | H189 V190 N194 N196 H198 | H189-V192 VanDerWaalsContact O-CB 3.26Å; H189-V192 WeakPolarHBondContact O-CB 3.24Å; H189-V192 WeakPolarHBondContact O-CG2 3.43Å; H189-V192 PolarHBondContact O-N 3.41Å; V190-V192 PolarHBondContact O-N 3.09Å; V192-N194 PolarHBondContact O-N 3.13Å; V192-N196 WeakPolarHBondContact CG1-O 3.49Å; V192-H198 HydrophobicContact CG2-CB 4.21Å | ||
| 193 | T | 43.9 | Very low | 69.9 | Low | 123 Ų | 123 | 64.9 Ų | 64.9 | 76% | 0.755 | 35% | 0.351 | S | S | * | . | trans | -75.8 | 63.5 | 167.1 | 39.3 | 0 | 0 | 0 | 0 | 112 | A191 M195 | A191-T193 PolarHBondContact O-N 3.44Å; T193-M195 PolarHBondContact O-N 3.01Å | ||
| 194 | N | 40.4 | Very low | 69.9 | Low | 168 Ų | 168 | 61.7 Ų | 61.7 | 90% | 0.898 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 53.4 | 13.6 | 159.5 | -135.1 | 23.3 | 0 | 0 | 0 | 118.9 | V192 | V192-N194 PolarHBondContact O-N 3.13Š|
| 195 | M | 40.1 | Very low | 70.1 | Confident | 166 Ų | 166 | 61.7 Ų | 61.7 | 82% | 0.818 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -133.8 | -5.6 | -172.8 | -161.2 | 159.8 | 66.6 | 0 | 0 | 115.7 | T193 | T193-M195 PolarHBondContact O-N 3.01Š|
| 196 | N | 43.5 | Very low | 70.5 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -157.1 | 142.5 | 169 | -92.9 | -52 | 0 | 0 | 0 | 112.1 | V192 H198 R201 | V192-N196 WeakPolarHBondContact CG1-O 3.49Å; N196-H198 VanDerWaalsContact C-N 3.33Å; N196-H198 PolarHBondContact O-CD2 3.48Å; N196-H198 PolarHBondContact O-N 3.03Å; N196-R201 PolarHBondContact ND2-NH1 2.85Å; N196-R201 VanDerWaalsContact OD1-CZ 3.28Å; N196-R201 PolarHBondContact OD1-NH1 3.14Å; N196-R201 PolarHBondContact OD1-NH2 3.39Å |
| 197 | E | 55.6 | Low | 70.9 | Confident | 121 Ų | 121 | 58 Ų | 58 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | trans | -76.5 | 74 | 178.9 | -170.3 | -174.4 | 166 | 0 | 0 | 111.7 | S199 S200 | E197-S199 PolarHBondContact O-N 2.94Å; E197-S199 VanDerWaalsContact O-N 3.12Å; E197-S200 PolarHBondContact O-N 3.39Å; E197-S200 PolarHBondContact O-OG 3.39Å | ||
| 198 | H | 60 | Low | 71.3 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -56.7 | -28.7 | -174.7 | -75.8 | -73.9 | 0 | 0 | 0 | 114.5 | Y136 V192 N196 S200 R201 S202 | Y136-H198 AromaticContact CE2-ND1 3.55Å; Y136-H198 AromaticContact CZ-CE1 3.64Å; Y136-H198 AromaticContact CZ-ND1 3.46Å; Y136-H198 PolarHBondContact OH-CE1 3.25Å; Y136-H198 VanDerWaalsContact OH-CE1 3.28Å; Y136-H198 PolarHBondContact OH-ND1 3.5Å; V192-H198 HydrophobicContact CG2-CB 4.21Å; N196-H198 VanDerWaalsContact C-N 3.33Å; N196-H198 PolarHBondContact O-CD2 3.48Å; N196-H198 PolarHBondContact O-N 3.03Å; H198-S200 PolarHBondContact O-N 3.07Å; H198-R201 CarbonylContact O-C 3.59Å; H198-R201 WeakPolarHBondContact O-CA 3.35Å; H198-R201 PolarHBondContact O-N 3.24Å; H198-S202 PolarHBondContact O-N 2.89Å |
| 199 | S | 72.3 | Confident | 71.8 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -57.5 | -33.7 | 178.2 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | R188 E197 R201 | R188-S199 PolarHBondContact NH2-O 2.81Å; E197-S199 PolarHBondContact O-N 2.94Å; E197-S199 VanDerWaalsContact O-N 3.12Å; S199-R201 VanDerWaalsContact C-N 3.27Å; S199-R201 PolarHBondContact O-N 3.39Å |
| 200 | S | 81 | Confident | 73.1 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -75 | -16 | 175.5 | 66.8 | 0 | 0 | 0 | 0 | 113.7 | E197 H198 G232 | E197-S200 PolarHBondContact O-N 3.39Å; E197-S200 PolarHBondContact O-OG 3.39Å; H198-S200 PolarHBondContact O-N 3.07Å; S200-G232 PolarHBondContact O-N 2.87Å |
| 201 | R | 82.5 | Confident | 74.7 | Confident | 59 Ų | 59 | 49 Ų | 49 | 22% | 0.223 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -20.9 | -165.3 | -68.1 | -172.9 | -170.9 | 167.5 | 7.9 | 114.7 | Y136 N196 H198 S199 A231 E248 I252 | Y136-R201 HydrophobicContact CE2-CB 4.4Å; N196-R201 PolarHBondContact ND2-NH1 2.85Å; N196-R201 VanDerWaalsContact OD1-CZ 3.28Å; N196-R201 PolarHBondContact OD1-NH1 3.14Å; N196-R201 PolarHBondContact OD1-NH2 3.39Å; H198-R201 CarbonylContact O-C 3.59Å; H198-R201 WeakPolarHBondContact O-CA 3.35Å; H198-R201 PolarHBondContact O-N 3.24Å; S199-R201 VanDerWaalsContact C-N 3.27Å; S199-R201 PolarHBondContact O-N 3.39Å; R201-A231 WeakPolarHBondContact O-CB 3.49Å; R201-E248 WeakPolarHBondContact CD-OE1 3.44Å; R201-E248 IonicContact CZ-OE1 2.63Å; R201-E248 IonicContact NE-OE1 2.98Å; R201-E248 IonicContact NH1-OE1 2.62Å; R201-E248 PolarHBondContact NH1-OE1 3.35Å; R201-E248 IonicContact NH1-OE2 3.43Å; R201-E248 PolarHBondContact NH1-OE2 3.01Å; R201-I252 HydrophobicContact CB-CD1 3.53Å; R201-I252 HydrophobicContact CB-CG1 4.34Å; R201-I252 HydrophobicContact CG-CD1 3.64Å |
| 202 | S | 89.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -95.8 | 146.3 | 169.6 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | E134 I135 R188 H198 | E134-S202 VanDerWaalsContact OE2-CB 3.24Å; E134-S202 WeakPolarHBondContact OE2-CB 3.31Å; E134-S202 PolarHBondContact OE2-OG 3.44Å; I135-S202 WeakPolarHBondContact O-CA 3.36Å; R188-S202 PolarHBondContact NE-OG 2.87Å; R188-S202 PolarHBondContact NH2-O 3.21Å; R188-S202 PolarHBondContact NH2-OG 2.69Å; H198-S202 PolarHBondContact O-N 2.89Å |
| 203 | H | 92.6 | Very high | 78.4 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.7 | 171.4 | -49.7 | -84.7 | 0 | 0 | 0 | 108.6 | E134 I135 D229 L230 A231 S255 L280 | E134-H203 CarbonylContact C-O 3.59Å; E134-H203 VanDerWaalsContact CA-O 3.24Å; E134-H203 WeakPolarHBondContact CA-O 3.28Å; I135-H203 HydrophobicContact CB-CB 4.26Å; I135-H203 PolarHBondContact N-O 2.94Å; I135-H203 PolarHBondContact O-CD2 3.05Å; I135-H203 PolarHBondContact O-N 2.93Å; H203-D229 CarbonylContact C-O 3.48Å; H203-D229 WeakPolarHBondContact CA-O 3.35Å; H203-L230 HydrophobicContact CB-CD2 4.36Å; H203-L230 WeakPolarHBondContact ND1-CA 3.46Å; H203-L230 WeakPolarHBondContact ND1-CD2 3.43Å; H203-A231 PolarHBondContact CE1-N 2.71Å; H203-A231 PolarHBondContact ND1-N 3.06Å; H203-S255 PolarHBondContact NE2-OG 3.05Å; H203-L280 HydrophobicContact CB-CD1 4.41Å |
| 204 | S | 93.1 | Very high | 80.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.7 | 174.5 | -133.2 | 0 | 0 | 0 | 0 | 110 | Y132 R188 V228 D229 | Y132-S204 VanDerWaalsContact CE2-OG 3.32Å; Y132-S204 WeakPolarHBondContact CE2-OG 3.47Å; Y132-S204 PolarHBondContact OH-OG 3.05Å; R188-S204 PolarHBondContact NH1-OG 3.16Å; R188-S204 VanDerWaalsContact NH1-OG 3.12Å; S204-V228 CarbonylContact O-C 3.54Å; S204-V228 VanDerWaalsContact O-CA 3.25Å; S204-V228 WeakPolarHBondContact O-CA 3.45Å; S204-V228 WeakPolarHBondContact O-CG1 3.48Å; S204-D229 PolarHBondContact N-O 3.43Å; S204-D229 PolarHBondContact O-N 2.97Å |
| 205 | V | 95.8 | Very high | 82.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 106.2 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | Y132 F133 I135 Y226 V228 | Y132-V205 WeakPolarHBondContact CD2-O 3.06Å; F133-V205 HydrophobicContact CD2-CB 3.87Å; F133-V205 HydrophobicContact CD2-CG1 4.39Å; F133-V205 HydrophobicContact CD2-CG2 4.37Å; F133-V205 HydrophobicContact CE1-CG1 4.16Å; F133-V205 HydrophobicContact CE2-CB 3.49Å; F133-V205 VanDerWaalsContact CE2-CB 3.49Å; F133-V205 HydrophobicContact CE2-CG1 3.61Å; F133-V205 HydrophobicContact CE2-CG2 3.89Å; F133-V205 HydrophobicContact CZ-CB 3.89Å; F133-V205 HydrophobicContact CZ-CG1 3.47Å; F133-V205 VanDerWaalsContact CZ-CG1 3.47Å; F133-V205 PolarHBondContact N-O 2.9Å; F133-V205 VanDerWaalsContact N-O 3.1Å; F133-V205 PolarHBondContact O-N 3Å; I135-V205 HydrophobicContact CD1-CG2 4.3Å; I135-V205 HydrophobicContact CG1-CG2 4.45Å; V205-Y226 HydrophobicContact CG1-CD1 4.2Å; V205-V228 HydrophobicContact CB-CG2 4.45Å; V205-V228 HydrophobicContact CG1-CG2 4.15Å; V205-V228 HydrophobicContact CG2-CG1 4.14Å; V205-V228 HydrophobicContact CG2-CG2 4.12Å |
| 206 | F | 96.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.2 | 170.4 | -167.1 | -100.3 | 0 | 0 | 0 | 108.7 | V130 Y132 V177 V180 I181 I208 L227 | V130-F206 HydrophobicContact CB-CZ 4.06Å; V130-F206 HydrophobicContact CG1-CE1 4.25Å; V130-F206 HydrophobicContact CG1-CZ 4.05Å; Y132-F206 AromaticContact CD1-CD2 3.9Å; Y132-F206 HydrophobicContact CD1-CD2 3.9Å; Y132-F206 HydrophobicContact CD1-CE2 4.26Å; Y132-F206 HydrophobicContact CD2-CB 4.13Å; Y132-F206 AromaticContact CD2-CD2 3.82Å; Y132-F206 HydrophobicContact CD2-CD2 3.82Å; Y132-F206 HydrophobicContact CE1-CD2 4.41Å; Y132-F206 HydrophobicContact CE2-CB 4.29Å; Y132-F206 HydrophobicContact CE2-CD2 4.33Å; Y132-F206 AromaticContact CG-CD2 3.59Å; Y132-F206 HydrophobicContact CG-CD2 3.59Å; Y132-F206 HydrophobicContact CG-CE2 4.23Å; V177-F206 HydrophobicContact CG1-CE1 4.12Å; V177-F206 HydrophobicContact CG1-CZ 3.69Å; V180-F206 HydrophobicContact CG1-CE2 4.48Å; I181-F206 HydrophobicContact CD1-CE1 4.23Å; I181-F206 HydrophobicContact CD1-CE2 4.15Å; I181-F206 HydrophobicContact CD1-CZ 3.86Å; I181-F206 HydrophobicContact CG1-CD2 4.11Å; I181-F206 HydrophobicContact CG1-CE1 4.41Å; I181-F206 HydrophobicContact CG1-CE2 3.45Å; I181-F206 VanDerWaalsContact CG1-CE2 3.45Å; I181-F206 HydrophobicContact CG1-CZ 3.63Å; F206-I208 HydrophobicContact CD1-CD1 4.39Å; F206-I208 HydrophobicContact CD1-CG1 3.87Å; F206-I208 HydrophobicContact CE1-CD1 4.02Å; F206-I208 HydrophobicContact CE1-CG1 3.56Å; F206-L227 HydrophobicContact CB-CB 4.39Å; F206-L227 HydrophobicContact CD1-CD1 4.38Å; F206-L227 PolarHBondContact N-O 3.32Å; F206-L227 PolarHBondContact O-N 3.42Å |
| 207 | M | 96.5 | Very high | 86.3 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.7 | -178.6 | -176.8 | -178.4 | 73.6 | 0 | 0 | 109.2 | V130 S131 Y226 | V130-M207 CarbonylContact C-O 3.52Å; V130-M207 WeakPolarHBondContact CA-O 3.47Å; S131-M207 PolarHBondContact N-O 3.3Å; S131-M207 PolarHBondContact O-N 3.46Å; M207-Y226 HydrophobicContact CB-CD1 4.17Å; M207-Y226 HydrophobicContact CB-CE1 4.16Å; M207-Y226 HydrophobicContact CG-CD1 3.99Å; M207-Y226 HydrophobicContact CG-CE1 3.68Å; M207-Y226 HydrophobicContact SD-CD1 4.34Å; M207-Y226 HydrophobicContact SD-CE1 3.44Å; M207-Y226 WeakPolarHBondContact SD-CE1 3.2Å |
| 208 | I | 97 | Very high | 87.5 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.3 | 166.8 | -52.5 | 176.3 | 0 | 0 | 0 | 107.1 | I109 I110 I113 I128 V130 F206 V210 L225 L227 | I109-I208 HydrophobicContact CG2-CD1 3.99Å; I110-I208 HydrophobicContact CG1-CD1 4.22Å; I113-I208 HydrophobicContact CD1-CD1 4.21Å; I113-I208 HydrophobicContact CD1-CG2 4.34Å; I128-I208 HydrophobicContact CG2-CG2 4.04Å; V130-I208 HydrophobicContact CG1-CB 4.47Å; V130-I208 HydrophobicContact CG1-CG1 4.17Å; V130-I208 HydrophobicContact CG1-CG2 4.33Å; F206-I208 HydrophobicContact CD1-CD1 4.39Å; F206-I208 HydrophobicContact CD1-CG1 3.87Å; F206-I208 HydrophobicContact CE1-CD1 4.02Å; F206-I208 HydrophobicContact CE1-CG1 3.56Å; I208-V210 HydrophobicContact CG2-CG2 4.42Å; I208-L225 HydrophobicContact CB-CB 4.33Å; I208-L225 PolarHBondContact N-O 3.38Å; I208-L225 PolarHBondContact O-N 3Å; I208-L227 HydrophobicContact CD1-CD1 3.97Å |
| 209 | T | 95.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.2 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | I128 K129 H222 | I128-T209 WeakPolarHBondContact CA-O 3.45Å; K129-T209 HydrophobicContact CG-CG2 4.26Å; K129-T209 PolarHBondContact N-O 3.39Å; K129-T209 PolarHBondContact O-N 3.08Å; T209-H222 WeakPolarHBondContact CG2-CE1 3.22Å |
| 210 | V | 95.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.8 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | V71 L72 F126 I208 H222 G223 | V71-V210 HydrophobicContact CG1-CG2 4.15Å; L72-V210 HydrophobicContact CD2-CG1 4.42Å; F126-V210 HydrophobicContact CD1-CG1 3.97Å; F126-V210 HydrophobicContact CE1-CG1 4.49Å; I208-V210 HydrophobicContact CG2-CG2 4.42Å; V210-H222 PolarHBondContact O-ND1 3.25Å; V210-G223 PolarHBondContact N-O 3.46Å; V210-G223 PolarHBondContact O-N 3.44Å |
| 211 | R | 93.9 | Very high | 90 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.9 | 159.4 | -80.3 | 179.8 | 157 | -172.8 | -16.9 | 108.5 | F126 H127 L221 H222 E332 | F126-R211 CarbonylContact C-O 3.47Å; F126-R211 WeakPolarHBondContact CA-O 3.49Å; H127-R211 HydrophobicContact CB-CB 4.14Å; H127-R211 PolarHBondContact N-O 2.86Å; H127-R211 PolarHBondContact O-N 2.82Å; R211-L221 WeakPolarHBondContact CA-O 3.41Å; R211-H222 VanDerWaalsContact CG-ND1 3.32Å; R211-H222 WeakPolarHBondContact CG-ND1 3.47Å; R211-E332 IonicContact CZ-OE1 2.92Å; R211-E332 IonicContact NH2-OE1 2.72Å; R211-E332 PolarHBondContact NH2-OE1 3.4Å |
| 212 | Q | 91.4 | Very high | 90.4 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.5 | 176.3 | 174.4 | -169.8 | 6.5 | 0 | 0 | 107.7 | L72 L124 E125 F126 K220 L221 | L72-Q212 PolarHBondContact O-OE1 3.36Å; L72-Q212 VanDerWaalsContact O-OE1 3.05Å; L124-Q212 VanDerWaalsContact CD1-NE2 3.34Å; L124-Q212 HydrophobicContact CD2-CG 4.2Å; E125-Q212 WeakPolarHBondContact O-CA 3.31Å; F126-Q212 HydrophobicContact CD1-CB 3.91Å; F126-Q212 HydrophobicContact CD1-CG 4.2Å; F126-Q212 HydrophobicContact CE1-CB 3.62Å; F126-Q212 HydrophobicContact CE1-CG 3.57Å; F126-Q212 HydrophobicContact CE2-CG 4.48Å; F126-Q212 HydrophobicContact CZ-CB 4.31Å; F126-Q212 HydrophobicContact CZ-CG 3.74Å; Q212-K220 CarbonylContact O-C 3.59Å; Q212-K220 VanDerWaalsContact O-CA 3.32Å; Q212-K220 WeakPolarHBondContact O-CA 3.37Å; Q212-L221 HydrophobicContact CB-CB 4.31Å; Q212-L221 PolarHBondContact N-O 3.01Å; Q212-L221 PolarHBondContact O-N 2.71Å |
| 213 | E | 90.5 | Very high | 90.7 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.9 | 177.5 | -179.4 | 156.2 | 177.6 | 0 | 0 | 109.3 | E125 K220 | E125-E213 PolarHBondContact N-O 2.81Å; E125-E213 PolarHBondContact O-N 2.8Å; E213-K220 HydrophobicContact CB-CG 4.3Å; E213-K220 HydrophobicContact CG-CG 4.04Å; E213-K220 WeakPolarHBondContact OE1-CE 3.46Å; E213-K220 IonicContact OE1-NZ 2.8Å; E213-K220 PolarHBondContact OE1-NZ 2.68Å; E213-K220 IonicContact OE2-NZ 2.65Å; E213-K220 PolarHBondContact OE2-NZ 3.42Å |
| 214 | N | 86.4 | Confident | 90.8 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 116.2 | 174.8 | 177.7 | -84.9 | 0 | 0 | 0 | 109.1 | N123 L124 E216 T217 Q218 K219 | N123-N214 WeakPolarHBondContact O-CA 3.46Å; L124-N214 HydrophobicContact CD2-CB 3.6Å; L124-N214 WeakPolarHBondContact CD2-ND2 3.37Å; N214-E216 VanDerWaalsContact C-N 3.34Å; N214-E216 PolarHBondContact O-N 3Å; N214-E216 PolarHBondContact OD1-N 3.46Å; N214-T217 WeakPolarHBondContact CB-OG1 3.3Å; N214-T217 VanDerWaalsContact CG-OG1 3.26Å; N214-T217 WeakPolarHBondContact OD1-CB 3.3Å; N214-T217 WeakPolarHBondContact OD1-CG2 3.2Å; N214-T217 PolarHBondContact OD1-N 3.44Å; N214-T217 PolarHBondContact OD1-OG1 3.45Å; N214-Q218 WeakPolarHBondContact O-CA 3.35Å; N214-Q218 PolarHBondContact O-N 2.81Å; N214-K219 PolarHBondContact N-O 2.87Å |
| 215 | L | 84.1 | Confident | 90.9 | Very high | 76 Ų | 76 | 40 Ų | 40 | 40% | 0.398 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -30.9 | -169.5 | -63.2 | 174.2 | 0 | 0 | 0 | 113 | N123 E125 Q218 | N123-L215 PolarHBondContact O-N 3.05Å; E125-L215 HydrophobicContact CB-CD2 4.24Å; E125-L215 HydrophobicContact CB-CG 4.47Å; L215-Q218 PolarHBondContact O-NE2 3.42Å |
| 216 | E | 82.1 | Confident | 91 | Very high | 139 Ų | 139 | 40.6 Ų | 40.6 | 65% | 0.65 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -49.3 | 179.2 | -61.5 | -172.7 | 158 | 0 | 0 | 113.1 | N123 N214 | N123-E216 HydrophobicContact CB-CG 4.32Å; N123-E216 PolarHBondContact ND2-OE1 2.87Å; N214-E216 VanDerWaalsContact C-N 3.34Å; N214-E216 PolarHBondContact O-N 3Å; N214-E216 PolarHBondContact OD1-N 3.46Å |
| 217 | T | 81.1 | Confident | 91 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 45% | 0.454 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -16.4 | -177.5 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | N214 K219 | N214-T217 WeakPolarHBondContact CB-OG1 3.3Å; N214-T217 VanDerWaalsContact CG-OG1 3.26Å; N214-T217 WeakPolarHBondContact OD1-CB 3.3Å; N214-T217 WeakPolarHBondContact OD1-CG2 3.2Å; N214-T217 PolarHBondContact OD1-N 3.44Å; N214-T217 PolarHBondContact OD1-OG1 3.45Å; T217-K219 PolarHBondContact O-N 2.76Å; T217-K219 WeakPolarHBondContact OG1-CB 3.45Å; T217-K219 PolarHBondContact OG1-N 3.23Å |
| 218 | Q | 79.9 | Confident | 91 | Very high | 86 Ų | 86 | 39.6 Ų | 39.6 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | trans | 61.4 | 11.5 | -172.1 | -64.2 | -76.7 | -64.2 | 0 | 0 | 114.2 | N214 L215 T334 | N214-Q218 WeakPolarHBondContact O-CA 3.35Å; N214-Q218 PolarHBondContact O-N 2.81Å; L215-Q218 PolarHBondContact O-NE2 3.42Å; Q218-T334 HydrophobicContact CB-CG2 3.48Å; Q218-T334 VanDerWaalsContact CB-CG2 3.48Å; Q218-T334 VanDerWaalsContact O-CG2 3.26Å; Q218-T334 WeakPolarHBondContact O-CG2 3.5Å | ||
| 219 | K | 82.7 | Confident | 90.9 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 26% | 0.261 | 19% | 0.188 | S | C | . | . | trans | -68.6 | 134 | 175.2 | -179.1 | 173.6 | -175.4 | 173 | 0 | 110.9 | N214 T217 E331 | N214-K219 PolarHBondContact N-O 2.87Å; T217-K219 PolarHBondContact O-N 2.76Å; T217-K219 WeakPolarHBondContact OG1-CB 3.45Å; T217-K219 PolarHBondContact OG1-N 3.23Å; K219-E331 WeakPolarHBondContact CE-OE2 3.38Å; K219-E331 IonicContact NZ-OE2 3.23Å; K219-E331 PolarHBondContact NZ-OE2 3.17Å | ||
| 220 | K | 90 | Very high | 90.8 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 29% | 0.291 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.2 | 177.5 | -64.8 | 158.9 | -162.1 | -89.5 | 0 | 110.8 | Q212 E213 E332 | Q212-K220 CarbonylContact O-C 3.59Å; Q212-K220 VanDerWaalsContact O-CA 3.32Å; Q212-K220 WeakPolarHBondContact O-CA 3.37Å; E213-K220 HydrophobicContact CB-CG 4.3Å; E213-K220 HydrophobicContact CG-CG 4.04Å; E213-K220 WeakPolarHBondContact OE1-CE 3.46Å; E213-K220 IonicContact OE1-NZ 2.8Å; E213-K220 PolarHBondContact OE1-NZ 2.68Å; E213-K220 IonicContact OE2-NZ 2.65Å; E213-K220 PolarHBondContact OE2-NZ 3.42Å; K220-E332 HydrophobicContact CB-CB 3.84Å; K220-E332 PolarHBondContact N-O 2.77Å; K220-E332 VanDerWaalsContact N-O 3.17Å; K220-E332 PolarHBondContact O-N 2.86Å |
| 221 | L | 92.4 | Very high | 90.5 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.4 | 176.4 | -69.4 | 178.8 | 0 | 0 | 0 | 110.6 | R211 Q212 V329 E331 | R211-L221 WeakPolarHBondContact CA-O 3.41Å; Q212-L221 HydrophobicContact CB-CB 4.31Å; Q212-L221 PolarHBondContact N-O 3.01Å; Q212-L221 PolarHBondContact O-N 2.71Å; L221-V329 HydrophobicContact CD2-CG1 3.69Å; L221-E331 HydrophobicContact CD2-CB 3.8Å |
| 222 | H | 92.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 115.2 | -173.3 | -172.3 | 46.2 | 0 | 0 | 0 | 113.4 | G74 T209 V210 R211 N330 | G74-H222 CarbonylContact C-O 3.5Å; T209-H222 WeakPolarHBondContact CG2-CE1 3.22Å; V210-H222 PolarHBondContact O-ND1 3.25Å; R211-H222 VanDerWaalsContact CG-ND1 3.32Å; R211-H222 WeakPolarHBondContact CG-ND1 3.47Å; H222-N330 HydrophobicContact CB-CB 4.12Å; H222-N330 PolarHBondContact N-O 3.05Å; H222-N330 VanDerWaalsContact N-O 3.15Å; H222-N330 WeakPolarHBondContact O-CB 3.4Å; H222-N330 PolarHBondContact O-ND2 3.06Å |
| 223 | G | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 119.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y75 V210 | Y75-G223 VanDerWaalsContact O-CA 3.32Å; Y75-G223 WeakPolarHBondContact O-CA 3.43Å; V210-G223 PolarHBondContact N-O 3.46Å; V210-G223 PolarHBondContact O-N 3.44Å |
| 224 | K | 94.9 | Very high | 89.9 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 15% | 0.152 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.1 | 165.1 | -53.6 | 178.3 | -158.7 | 163.2 | 0 | 109.4 | N76 G77 Y226 E286 | N76-K224 CarbonylContact C-O 3.54Å; N76-K224 WeakPolarHBondContact CA-O 3.31Å; N76-K224 WeakPolarHBondContact OD1-CB 3.4Å; N76-K224 PolarHBondContact OD1-N 2.9Å; G77-K224 PolarHBondContact N-O 3.48Å; K224-Y226 HydrophobicContact CB-CE2 4.02Å; K224-Y226 HydrophobicContact CD-CE2 4.2Å; K224-E286 IonicContact NZ-OE2 2.72Å; K224-E286 PolarHBondContact NZ-OE2 3.03Å |
| 225 | L | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 109.2 | 175.9 | 177.3 | 53.4 | 0 | 0 | 0 | 110.2 | I67 V71 G77 I109 I113 I208 L227 | I67-L225 HydrophobicContact CG2-CD1 3.71Å; V71-L225 HydrophobicContact CG1-CB 4.14Å; V71-L225 HydrophobicContact CG2-CB 3.99Å; V71-L225 HydrophobicContact CG2-CD1 4.24Å; V71-L225 HydrophobicContact CG2-CD2 4.36Å; V71-L225 HydrophobicContact CG2-CG 4.42Å; G77-L225 WeakPolarHBondContact O-CA 3.43Å; I109-L225 HydrophobicContact CD1-CD2 4.38Å; I109-L225 HydrophobicContact CG2-CD2 3.75Å; I113-L225 HydrophobicContact CD1-CD2 4.24Å; I208-L225 HydrophobicContact CB-CB 4.33Å; I208-L225 PolarHBondContact N-O 3.38Å; I208-L225 PolarHBondContact O-N 3Å; L225-L227 HydrophobicContact CD1-CD2 3.77Å; L225-L227 HydrophobicContact CD2-CD2 4.26Å; L225-L227 HydrophobicContact CG-CD2 3.83Å; L225-L227 HydrophobicContact CG-CG 4.11Å |
| 226 | Y | 96.8 | Very high | 88.9 | Confident | 13 Ų | 13 | 36 Ų | 36 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.4 | 175.5 | -66.6 | -82 | 0 | 0 | 0 | 110.8 | G77 T78 I79 V205 M207 K224 I283 | G77-Y226 PolarHBondContact O-N 3.29Å; T78-Y226 CarbonylContact C-O 3.57Å; T78-Y226 WeakPolarHBondContact CA-O 3.48Å; I79-Y226 PolarHBondContact N-O 3.05Å; V205-Y226 HydrophobicContact CG1-CD1 4.2Å; M207-Y226 HydrophobicContact CB-CD1 4.17Å; M207-Y226 HydrophobicContact CB-CE1 4.16Å; M207-Y226 HydrophobicContact CG-CD1 3.99Å; M207-Y226 HydrophobicContact CG-CE1 3.68Å; M207-Y226 HydrophobicContact SD-CD1 4.34Å; M207-Y226 HydrophobicContact SD-CE1 3.44Å; M207-Y226 WeakPolarHBondContact SD-CE1 3.2Å; K224-Y226 HydrophobicContact CB-CE2 4.02Å; K224-Y226 HydrophobicContact CD-CE2 4.2Å; Y226-I283 HydrophobicContact CE1-CG2 4.4Å |
| 227 | L | 97.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.5 | 176.4 | -54.3 | 179.5 | 0 | 0 | 0 | 108 | I79 M93 I106 I109 F206 I208 L225 | I79-L227 HydrophobicContact CB-CD2 3.97Å; I79-L227 HydrophobicContact CD1-CD2 3.94Å; I79-L227 HydrophobicContact CG1-CD2 4.28Å; I79-L227 WeakPolarHBondContact O-CA 3.49Å; M93-L227 HydrophobicContact CE-CB 3.95Å; I106-L227 HydrophobicContact CB-CD1 4.4Å; I106-L227 HydrophobicContact CD1-CB 4.49Å; I106-L227 HydrophobicContact CG1-CB 4.13Å; I106-L227 HydrophobicContact CG1-CD1 3.86Å; I106-L227 HydrophobicContact CG2-CD1 4.36Å; I109-L227 HydrophobicContact CD1-CD1 3.88Å; I109-L227 HydrophobicContact CD1-CD2 3.54Å; I109-L227 HydrophobicContact CD1-CG 4.4Å; I109-L227 HydrophobicContact CG2-CD1 4.28Å; F206-L227 HydrophobicContact CB-CB 4.39Å; F206-L227 HydrophobicContact CD1-CD1 4.38Å; F206-L227 PolarHBondContact N-O 3.32Å; F206-L227 PolarHBondContact O-N 3.42Å; I208-L227 HydrophobicContact CD1-CD1 3.97Å; L225-L227 HydrophobicContact CD1-CD2 3.77Å; L225-L227 HydrophobicContact CD2-CD2 4.26Å; L225-L227 HydrophobicContact CG-CD2 3.83Å; L225-L227 HydrophobicContact CG-CG 4.11Å |
| 228 | V | 95.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.8 | -166.7 | -178 | 0 | 0 | 0 | 0 | 111.8 | I79 F80 A81 S204 V205 L230 L284 | I79-V228 PolarHBondContact O-N 2.98Å; F80-V228 VanDerWaalsContact CA-O 3.31Å; F80-V228 WeakPolarHBondContact CA-O 3.2Å; F80-V228 HydrophobicContact CB-CB 3.93Å; F80-V228 HydrophobicContact CB-CG1 4.43Å; A81-V228 PolarHBondContact N-O 3Å; S204-V228 CarbonylContact O-C 3.54Å; S204-V228 VanDerWaalsContact O-CA 3.25Å; S204-V228 WeakPolarHBondContact O-CA 3.45Å; S204-V228 WeakPolarHBondContact O-CG1 3.48Å; V205-V228 HydrophobicContact CB-CG2 4.45Å; V205-V228 HydrophobicContact CG1-CG2 4.15Å; V205-V228 HydrophobicContact CG2-CG1 4.14Å; V205-V228 HydrophobicContact CG2-CG2 4.12Å; V228-L230 HydrophobicContact CG1-CD2 3.59Å; V228-L230 HydrophobicContact CG1-CG 4.08Å; V228-L284 HydrophobicContact CG2-CD2 4.43Å |
| 229 | D | 94.7 | Very high | 86.6 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 107.7 | 167.6 | -171.3 | 15.1 | 0 | 0 | 0 | 108.5 | K89 T90 M93 H203 S204 | K89-D229 WeakPolarHBondContact CB-OD1 3.48Å; K89-D229 WeakPolarHBondContact CE-OD1 3.27Å; T90-D229 WeakPolarHBondContact CA-OD2 3.41Å; T90-D229 WeakPolarHBondContact CB-OD2 3.46Å; T90-D229 WeakPolarHBondContact CG2-OD2 3.38Å; T90-D229 PolarHBondContact N-OD2 2.99Å; T90-D229 PolarHBondContact OG1-OD2 3.47Å; M93-D229 HydrophobicContact CG-CB 4.31Å; H203-D229 CarbonylContact C-O 3.48Å; H203-D229 WeakPolarHBondContact CA-O 3.35Å; S204-D229 PolarHBondContact N-O 3.43Å; S204-D229 PolarHBondContact O-N 2.97Å |
| 230 | L | 93.8 | Very high | 85.7 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 160.9 | -176.2 | -62.3 | 172.4 | 0 | 0 | 0 | 111.4 | A81 Y82 K89 H203 V228 L259 L280 | A81-L230 WeakPolarHBondContact O-CB 3.41Å; A81-L230 WeakPolarHBondContact O-CG 3.25Å; A81-L230 PolarHBondContact O-N 2.85Å; Y82-L230 HydrophobicContact CD2-CD1 3.84Å; Y82-L230 HydrophobicContact CG-CD1 4.46Å; K89-L230 WeakPolarHBondContact CE-O 3.42Å; K89-L230 PolarHBondContact NZ-O 3.21Å; H203-L230 HydrophobicContact CB-CD2 4.36Å; H203-L230 WeakPolarHBondContact ND1-CA 3.46Å; H203-L230 WeakPolarHBondContact ND1-CD2 3.43Å; V228-L230 HydrophobicContact CG1-CD2 3.59Å; V228-L230 HydrophobicContact CG1-CG 4.08Å; L230-L259 HydrophobicContact CD1-CD2 4.06Å; L230-L280 HydrophobicContact CD2-CD1 3.88Å; L230-L280 HydrophobicContact CD2-CD2 3.99Å |
| 231 | A | 90.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 165.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K89 R201 H203 S233 I252 | K89-A231 PolarHBondContact NZ-O 2.91Å; R201-A231 WeakPolarHBondContact O-CB 3.49Å; H203-A231 PolarHBondContact CE1-N 2.71Å; H203-A231 PolarHBondContact ND1-N 3.06Å; A231-S233 PolarHBondContact O-N 2.7Å; A231-I252 HydrophobicContact CB-CG2 3.65Å |
| 232 | G | 90 | Very high | 83.4 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -53.2 | 128.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T85 S200 E234 L256 | T85-G232 WeakPolarHBondContact OG1-CA 3.42Å; S200-G232 PolarHBondContact O-N 2.87Å; G232-E234 VanDerWaalsContact C-N 3.33Å; G232-E234 WeakPolarHBondContact CA-OE2 3.3Å; G232-L256 WeakPolarHBondContact O-CD1 3.48Å |
| 233 | S | 89.5 | Confident | 82.5 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | trans | -87.4 | 7.1 | 178.6 | 75.2 | 0 | 0 | 0 | 0 | 115 | Y82 G83 Q84 A231 | Y82-S233 WeakPolarHBondContact OH-CB 3.36Å; G83-S233 WeakPolarHBondContact CA-OG 3.22Å; G83-S233 PolarHBondContact O-N 2.81Å; G83-S233 PolarHBondContact O-OG 2.71Å; Q84-S233 PolarHBondContact N-OG 2.71Å; Q84-S233 VanDerWaalsContact N-OG 3.15Å; A231-S233 PolarHBondContact O-N 2.7Å | ||
| 234 | E | 83.7 | Confident | 81.4 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | trans | -70.8 | 146.3 | 178.4 | 62.1 | -80.8 | -172 | 0 | 0 | 113 | Q84 T85 G232 N253 E309 | Q84-E234 WeakPolarHBondContact CA-OE2 3.45Å; Q84-E234 HydrophobicContact CB-CB 4.29Å; Q84-E234 WeakPolarHBondContact CB-OE2 3.45Å; T85-E234 WeakPolarHBondContact CB-OE1 3.49Å; T85-E234 PolarHBondContact N-OE2 2.82Å; T85-E234 PolarHBondContact OG1-OE1 2.92Å; T85-E234 PolarHBondContact OG1-OE2 2.7Å; G232-E234 VanDerWaalsContact C-N 3.33Å; G232-E234 WeakPolarHBondContact CA-OE2 3.3Å; E234-N253 PolarHBondContact O-ND2 3.47Å; E234-E309 HydrophobicContact CB-CG 4.31Å | ||
| 235 | K | 77 | Confident | 80 | Confident | 120 Ų | 120 | 46.9 Ų | 46.9 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | trans | -74 | 136.5 | -177.3 | -61.8 | 178.4 | -176.2 | 178.4 | 0 | 111.3 | A237 K238 | K235-A237 PolarHBondContact O-N 2.75Å; K235-K238 WeakPolarHBondContact O-CB 3.22Å; K235-K238 PolarHBondContact O-N 3.11Å | ||
| 236 | V | 72.3 | Confident | 78.8 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -45.8 | -36.9 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 113.3 | K238 T239 L246 A249 N253 | V236-K238 PolarHBondContact O-N 3.17Å; V236-T239 PolarHBondContact O-N 2.88Å; V236-T239 PolarHBondContact O-OG1 2.85Å; V236-L246 HydrophobicContact CG1-CD1 3.51Å; V236-A249 HydrophobicContact CB-CB 4.36Å; V236-A249 HydrophobicContact CG1-CB 3.76Å; V236-A249 HydrophobicContact CG2-CB 3.95Å; V236-A249 WeakPolarHBondContact CG2-O 3.5Å; V236-N253 HydrophobicContact CG2-CB 4.16Å; V236-N253 WeakPolarHBondContact CG2-ND2 3.36Å |
| 237 | A | 66.2 | Low | 77.7 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 84% | 0.835 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -59.8 | -17.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K235 | K235-A237 PolarHBondContact O-N 2.75Š|
| 238 | K | 62.7 | Low | 76.5 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -85.2 | -19.6 | 173.7 | -78.4 | -163.3 | 170.8 | -166.5 | 0 | 114.4 | K235 V236 F305 E309 | K235-K238 WeakPolarHBondContact O-CB 3.22Å; K235-K238 PolarHBondContact O-N 3.11Å; V236-K238 PolarHBondContact O-N 3.17Å; K238-F305 PolarHBondContact NZ-O 3.28Å; K238-E309 HydrophobicContact CD-CG 4.29Å; K238-E309 WeakPolarHBondContact CD-OE1 3.37Å; K238-E309 WeakPolarHBondContact CE-OE1 3.39Å; K238-E309 IonicContact NZ-OE1 3.65Å |
| 239 | T | 65.5 | Low | 75.3 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.7 | -171 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | V236 A241 | V236-T239 PolarHBondContact O-N 2.88Å; V236-T239 PolarHBondContact O-OG1 2.85Å; T239-A241 PolarHBondContact O-N 2.92Å; T239-A241 VanDerWaalsContact O-N 3.13Å; T239-A241 WeakPolarHBondContact OG1-CB 3.32Å; T239-A241 PolarHBondContact OG1-N 2.59Å |
| 240 | G | 63 | Low | 74.5 | Confident | 71 Ų | 71 | 58 Ų | 58 | 73% | 0.732 | 35% | 0.347 | S | S | * | . | trans | 61.5 | 15.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 241 | A | 62.5 | Low | 73.8 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | trans | -73.2 | 130.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T239 V245 L246 | T239-A241 PolarHBondContact O-N 2.92Å; T239-A241 VanDerWaalsContact O-N 3.13Å; T239-A241 WeakPolarHBondContact OG1-CB 3.32Å; T239-A241 PolarHBondContact OG1-N 2.59Å; A241-V245 HydrophobicContact CB-CB 3.99Å; A241-V245 HydrophobicContact CB-CG1 3.77Å; A241-L246 WeakPolarHBondContact O-CB 3.21Å | ||
| 242 | E | 71.7 | Confident | 73.1 | Confident | 169 Ų | 169 | 61.2 Ų | 61.2 | 79% | 0.79 | 36% | 0.364 | S | S | * | . | trans | -112.2 | 168.4 | 171.7 | -62.7 | -167.9 | 160.6 | 0 | 0 | 111.4 | T244 V245 | E242-T244 PolarHBondContact O-N 2.99Å; E242-V245 PolarHBondContact O-N 3.37Å | ||
| 243 | G | 75.1 | Confident | 72.6 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | 57.5 | -133.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V245 L246 | G243-V245 VanDerWaalsContact C-N 3.3Å; G243-V245 PolarHBondContact O-N 3.29Å; G243-L246 VanDerWaalsContact O-CB 3.31Å; G243-L246 WeakPolarHBondContact O-CB 3.29Å; G243-L246 PolarHBondContact O-N 3.38Å |
| 244 | T | 69.4 | Low | 72.5 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 74% | 0.736 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.9 | -31.3 | -176.7 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | E242 L246 D247 E248 | E242-T244 PolarHBondContact O-N 2.99Å; T244-L246 VanDerWaalsContact C-N 3.27Å; T244-L246 PolarHBondContact O-N 3.32Å; T244-D247 PolarHBondContact O-N 3.45Å; T244-E248 PolarHBondContact O-N 3.1Å |
| 245 | V | 67.1 | Low | 72.9 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 26% | 0.255 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.9 | -28.4 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | A241 E242 G243 A249 | A241-V245 HydrophobicContact CB-CB 3.99Å; A241-V245 HydrophobicContact CB-CG1 3.77Å; E242-V245 PolarHBondContact O-N 3.37Å; G243-V245 VanDerWaalsContact C-N 3.3Å; G243-V245 PolarHBondContact O-N 3.29Å; V245-A249 WeakPolarHBondContact O-CB 3.32Å; V245-A249 PolarHBondContact O-N 3.36Å |
| 246 | L | 70.6 | Confident | 73.5 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 29% | 0.293 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 172.3 | -178.2 | 61.6 | 0 | 0 | 0 | 111.7 | V236 A241 G243 T244 A249 K250 | V236-L246 HydrophobicContact CG1-CD1 3.51Å; A241-L246 WeakPolarHBondContact O-CB 3.21Å; G243-L246 VanDerWaalsContact O-CB 3.31Å; G243-L246 WeakPolarHBondContact O-CB 3.29Å; G243-L246 PolarHBondContact O-N 3.38Å; T244-L246 VanDerWaalsContact C-N 3.27Å; T244-L246 PolarHBondContact O-N 3.32Å; L246-A249 PolarHBondContact O-N 3.46Å; L246-K250 VanDerWaalsContact O-CG 3.31Å; L246-K250 WeakPolarHBondContact O-CG 3.34Å; L246-K250 PolarHBondContact O-N 3.35Å |
| 247 | D | 73.9 | Confident | 74.4 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.3 | -30.8 | 179.6 | -71.9 | -25.1 | 0 | 0 | 0 | 112.7 | T244 K250 N251 | T244-D247 PolarHBondContact O-N 3.45Å; D247-K250 WeakPolarHBondContact OD1-CD 3.07Å; D247-K250 IonicContact OD1-NZ 2.93Å; D247-K250 PolarHBondContact OD1-NZ 3.13Å; D247-N251 PolarHBondContact O-N 2.86Å; D247-N251 VanDerWaalsContact O-N 3.1Å; D247-N251 PolarHBondContact O-ND2 3.2Å |
| 248 | E | 71.8 | Confident | 75.6 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -54.2 | 164.3 | 178.2 | -179.3 | 174.6 | 0 | 0 | 111.1 | Y136 M137 R201 T244 K250 N251 I252 | Y136-E248 HydrophobicContact CE2-CG 4.31Å; Y136-E248 WeakPolarHBondContact OH-CG 3.42Å; Y136-E248 PolarHBondContact OH-OE1 3.35Å; Y136-E248 VanDerWaalsContact OH-OE1 3.12Å; M137-E248 HydrophobicContact CE-CB 3.65Å; M137-E248 HydrophobicContact CE-CG 3.92Å; R201-E248 WeakPolarHBondContact CD-OE1 3.44Å; R201-E248 IonicContact CZ-OE1 2.63Å; R201-E248 IonicContact NE-OE1 2.98Å; R201-E248 IonicContact NH1-OE1 2.62Å; R201-E248 PolarHBondContact NH1-OE1 3.35Å; R201-E248 IonicContact NH1-OE2 3.43Å; R201-E248 PolarHBondContact NH1-OE2 3.01Å; T244-E248 PolarHBondContact O-N 3.1Å; E248-K250 VanDerWaalsContact C-N 3.3Å; E248-K250 PolarHBondContact O-N 3Å; E248-N251 PolarHBondContact O-N 2.84Å; E248-I252 HydrophobicContact CG-CD1 3.9Å; E248-I252 WeakPolarHBondContact O-CG1 3.36Å; E248-I252 PolarHBondContact O-N 3.46Å |
| 249 | A | 70.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -37 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V236 V245 L246 N253 | V236-A249 HydrophobicContact CB-CB 4.36Å; V236-A249 HydrophobicContact CG1-CB 3.76Å; V236-A249 HydrophobicContact CG2-CB 3.95Å; V236-A249 WeakPolarHBondContact CG2-O 3.5Å; V245-A249 WeakPolarHBondContact O-CB 3.32Å; V245-A249 PolarHBondContact O-N 3.36Å; L246-A249 PolarHBondContact O-N 3.46Å; A249-N253 WeakPolarHBondContact O-CB 3.45Å; A249-N253 PolarHBondContact O-N 3.13Å; A249-N253 VanDerWaalsContact O-N 3.14Å; A249-N253 PolarHBondContact O-ND2 2.89Å |
| 250 | K | 78.8 | Confident | 78.4 | Confident | 102 Ų | 102 | 49.5 Ų | 49.5 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 170.1 | -74.2 | 171.9 | -166.4 | 152.8 | 0 | 112.1 | L246 D247 E248 N253 K254 | L246-K250 VanDerWaalsContact O-CG 3.31Å; L246-K250 WeakPolarHBondContact O-CG 3.34Å; L246-K250 PolarHBondContact O-N 3.35Å; D247-K250 WeakPolarHBondContact OD1-CD 3.07Å; D247-K250 IonicContact OD1-NZ 2.93Å; D247-K250 PolarHBondContact OD1-NZ 3.13Å; E248-K250 VanDerWaalsContact C-N 3.3Å; E248-K250 PolarHBondContact O-N 3Å; K250-N253 CarbonylContact O-C 3.57Å; K250-N253 PolarHBondContact O-N 3.35Å; K250-K254 PolarHBondContact O-N 3.22Å |
| 251 | N | 77.9 | Confident | 79.9 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | -176.8 | -83.8 | -70.7 | 0 | 0 | 0 | 113 | M137 D247 E248 K254 S255 | M137-N251 HydrophobicContact CG-CB 4.35Å; D247-N251 PolarHBondContact O-N 2.86Å; D247-N251 VanDerWaalsContact O-N 3.1Å; D247-N251 PolarHBondContact O-ND2 3.2Å; E248-N251 PolarHBondContact O-N 2.84Å; N251-K254 WeakPolarHBondContact O-CB 3.4Å; N251-K254 PolarHBondContact O-N 3.46Å; N251-S255 PolarHBondContact O-N 3.09Å |
| 252 | I | 75.6 | Confident | 81.4 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -53.1 | 171.8 | -61.3 | 159.7 | 0 | 0 | 0 | 109.2 | R201 A231 E248 K254 S255 L256 | R201-I252 HydrophobicContact CB-CD1 3.53Å; R201-I252 HydrophobicContact CB-CG1 4.34Å; R201-I252 HydrophobicContact CG-CD1 3.64Å; A231-I252 HydrophobicContact CB-CG2 3.65Å; E248-I252 HydrophobicContact CG-CD1 3.9Å; E248-I252 WeakPolarHBondContact O-CG1 3.36Å; E248-I252 PolarHBondContact O-N 3.46Å; I252-K254 VanDerWaalsContact C-N 3.27Å; I252-K254 PolarHBondContact O-N 3.04Å; I252-S255 PolarHBondContact O-N 3.02Å; I252-S255 VanDerWaalsContact O-N 3.17Å; I252-S255 PolarHBondContact O-OG 3.34Å; I252-L256 PolarHBondContact O-N 3.35Å |
| 253 | N | 79.4 | Confident | 82.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -29.3 | 177.9 | -88.3 | -92.1 | 0 | 0 | 0 | 112.9 | E234 V236 A249 K250 S255 L256 S257 | E234-N253 PolarHBondContact O-ND2 3.47Å; V236-N253 HydrophobicContact CG2-CB 4.16Å; V236-N253 WeakPolarHBondContact CG2-ND2 3.36Å; A249-N253 WeakPolarHBondContact O-CB 3.45Å; A249-N253 PolarHBondContact O-N 3.13Å; A249-N253 VanDerWaalsContact O-N 3.14Å; A249-N253 PolarHBondContact O-ND2 2.89Å; K250-N253 CarbonylContact O-C 3.57Å; K250-N253 PolarHBondContact O-N 3.35Å; N253-S255 PolarHBondContact O-N 3.13Å; N253-L256 PolarHBondContact O-N 2.94Å; N253-S257 VanDerWaalsContact O-CB 3.22Å; N253-S257 WeakPolarHBondContact O-CB 3.39Å; N253-S257 PolarHBondContact O-N 3.17Å; N253-S257 PolarHBondContact O-OG 3.32Å |
| 254 | K | 88.3 | Confident | 83.3 | Confident | 93 Ų | 93 | 41 Ų | 41 | 40% | 0.404 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.7 | -48.9 | 172.9 | -175.7 | -155.1 | 168.4 | -156 | 0 | 111 | D138 K250 N251 I252 L256 S257 A258 D277 | D138-K254 IonicContact OD2-NZ 3.56Å; D138-K254 PolarHBondContact OD2-NZ 3.45Å; D138-K254 VanDerWaalsContact OD2-NZ 3.08Å; K250-K254 PolarHBondContact O-N 3.22Å; N251-K254 WeakPolarHBondContact O-CB 3.4Å; N251-K254 PolarHBondContact O-N 3.46Å; I252-K254 VanDerWaalsContact C-N 3.27Å; I252-K254 PolarHBondContact O-N 3.04Å; K254-L256 PolarHBondContact O-N 3.41Å; K254-S257 PolarHBondContact O-N 2.88Å; K254-A258 WeakPolarHBondContact O-CB 3.37Å; K254-A258 PolarHBondContact O-N 3.45Å; K254-D277 WeakPolarHBondContact CE-O 3.43Å; K254-D277 PolarHBondContact NZ-O 3.47Å |
| 255 | S | 90.9 | Very high | 84.5 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | -178.8 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | H203 N251 I252 N253 L259 | H203-S255 PolarHBondContact NE2-OG 3.05Å; N251-S255 PolarHBondContact O-N 3.09Å; I252-S255 PolarHBondContact O-N 3.02Å; I252-S255 VanDerWaalsContact O-N 3.17Å; I252-S255 PolarHBondContact O-OG 3.34Å; N253-S255 PolarHBondContact O-N 3.13Å; S255-L259 PolarHBondContact O-N 3.19Å; S255-L259 VanDerWaalsContact O-N 3.09Å |
| 256 | L | 90 | Very high | 85.7 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -75.7 | -28.2 | 175.2 | -66.4 | -178.2 | 0 | 0 | 0 | 113 | Y82 G232 I252 N253 K254 L259 G260 | Y82-L256 HydrophobicContact CE2-CD2 4.15Å; G232-L256 WeakPolarHBondContact O-CD1 3.48Å; I252-L256 PolarHBondContact O-N 3.35Å; N253-L256 PolarHBondContact O-N 2.94Å; K254-L256 PolarHBondContact O-N 3.41Å; L256-L259 HydrophobicContact CD2-CD2 4.21Å; L256-G260 PolarHBondContact O-N 3.04Å |
| 257 | S | 90.7 | Very high | 86.7 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 43% | 0.427 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -71.6 | -41.4 | 171.9 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | N253 K254 L259 G260 N261 | N253-S257 VanDerWaalsContact O-CB 3.22Å; N253-S257 WeakPolarHBondContact O-CB 3.39Å; N253-S257 PolarHBondContact O-N 3.17Å; N253-S257 PolarHBondContact O-OG 3.32Å; K254-S257 PolarHBondContact O-N 2.88Å; S257-L259 VanDerWaalsContact C-N 3.33Å; S257-L259 PolarHBondContact O-N 2.84Å; S257-G260 CarbonylContact O-C 3.59Å; S257-G260 WeakPolarHBondContact O-CA 3.41Å; S257-G260 PolarHBondContact O-N 3.1Å; S257-G260 VanDerWaalsContact O-N 3.13Å; S257-N261 VanDerWaalsContact O-CG 3.23Å; S257-N261 PolarHBondContact O-N 3.46Å; S257-N261 PolarHBondContact O-OD1 2.95Å |
| 258 | A | 93 | Very high | 87.5 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | K254 G260 N261 V262 D277 T281 | K254-A258 WeakPolarHBondContact O-CB 3.37Å; K254-A258 PolarHBondContact O-N 3.45Å; A258-G260 VanDerWaalsContact C-N 3.34Å; A258-G260 PolarHBondContact O-N 3.46Å; A258-N261 PolarHBondContact O-N 2.96Å; A258-V262 WeakPolarHBondContact O-CG2 3.33Å; A258-V262 PolarHBondContact O-N 2.83Å; A258-D277 HydrophobicContact CB-CB 3.7Å; A258-T281 HydrophobicContact CB-CG2 4.18Å |
| 259 | L | 93.8 | Very high | 88.2 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 173.1 | 179.1 | 61.9 | 0 | 0 | 0 | 112.1 | L230 S255 L256 S257 N261 V262 I263 T281 L284 L288 F316 | L230-L259 HydrophobicContact CD1-CD2 4.06Å; S255-L259 PolarHBondContact O-N 3.19Å; S255-L259 VanDerWaalsContact O-N 3.09Å; L256-L259 HydrophobicContact CD2-CD2 4.21Å; S257-L259 VanDerWaalsContact C-N 3.33Å; S257-L259 PolarHBondContact O-N 2.84Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.07Å; L259-V262 PolarHBondContact O-N 2.9Å; L259-I263 HydrophobicContact CD1-CD1 4.29Å; L259-I263 HydrophobicContact CG-CD1 4.22Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.22Å; L259-I263 PolarHBondContact O-N 3.04Å; L259-T281 VanDerWaalsContact CA-CG2 3.5Å; L259-T281 HydrophobicContact CB-CG2 3.96Å; L259-T281 HydrophobicContact CD1-CG2 4.31Å; L259-L284 HydrophobicContact CD1-CD1 4.5Å; L259-L288 HydrophobicContact CD1-CD1 3.38Å; L259-F316 HydrophobicContact CD2-CZ 3.9Å; L259-F316 HydrophobicContact CG-CZ 3.98Å |
| 260 | G | 92.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L256 S257 A258 N264 R319 | L256-G260 PolarHBondContact O-N 3.04Å; S257-G260 CarbonylContact O-C 3.59Å; S257-G260 WeakPolarHBondContact O-CA 3.41Å; S257-G260 PolarHBondContact O-N 3.1Å; S257-G260 VanDerWaalsContact O-N 3.13Å; A258-G260 VanDerWaalsContact C-N 3.34Å; A258-G260 PolarHBondContact O-N 3.46Å; G260-N264 PolarHBondContact O-N 3.06Å; G260-R319 PolarHBondContact O-NH1 2.73Å |
| 261 | N | 93.9 | Very high | 89.5 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.1 | -43.1 | 176.7 | -68.9 | -9.5 | 0 | 0 | 0 | 112 | S257 A258 L259 I263 N264 A265 P274 | S257-N261 VanDerWaalsContact O-CG 3.23Å; S257-N261 PolarHBondContact O-N 3.46Å; S257-N261 PolarHBondContact O-OD1 2.95Å; A258-N261 PolarHBondContact O-N 2.96Å; L259-N261 VanDerWaalsContact C-N 3.34Å; L259-N261 PolarHBondContact O-N 3.07Å; N261-I263 VanDerWaalsContact C-N 3.29Å; N261-I263 PolarHBondContact O-N 3.22Å; N261-N264 PolarHBondContact O-N 2.78Å; N261-A265 WeakPolarHBondContact O-CB 3.46Å; N261-A265 PolarHBondContact O-N 2.85Å; N261-P274 HydrophobicContact CB-CG 4.17Å |
| 262 | V | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 172 | 163.2 | 0 | 0 | 0 | 0 | 110.5 | A258 L259 A265 L266 V273 P274 Y275 T281 L288 | A258-V262 WeakPolarHBondContact O-CG2 3.33Å; A258-V262 PolarHBondContact O-N 2.83Å; L259-V262 PolarHBondContact O-N 2.9Å; V262-A265 PolarHBondContact O-N 2.84Å; V262-L266 HydrophobicContact CG1-CD1 3.84Å; V262-L266 WeakPolarHBondContact O-CB 3.37Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.42Å; V262-V273 HydrophobicContact CB-CG1 4.21Å; V262-V273 HydrophobicContact CG1-CG1 3.82Å; V262-V273 HydrophobicContact CG2-CG1 4.12Å; V262-P274 HydrophobicContact CG2-CG 4.13Å; V262-Y275 HydrophobicContact CG1-CD1 3.82Å; V262-Y275 HydrophobicContact CG1-CE1 3.63Å; V262-Y275 HydrophobicContact CG2-CD1 4.13Å; V262-T281 HydrophobicContact CB-CG2 4.4Å; V262-T281 HydrophobicContact CG2-CG2 3.9Å; V262-L288 HydrophobicContact CG1-CD1 4.27Å |
| 263 | I | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 175.3 | -71.1 | 165.7 | 0 | 0 | 0 | 111.4 | L259 N261 L266 V267 M296 F316 R319 A320 I323 | L259-I263 HydrophobicContact CD1-CD1 4.29Å; L259-I263 HydrophobicContact CG-CD1 4.22Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.22Å; L259-I263 PolarHBondContact O-N 3.04Å; N261-I263 VanDerWaalsContact C-N 3.29Å; N261-I263 PolarHBondContact O-N 3.22Å; I263-L266 PolarHBondContact O-N 3.28Å; I263-V267 HydrophobicContact CG2-CG2 4.37Å; I263-V267 WeakPolarHBondContact O-CB 3.33Å; I263-V267 WeakPolarHBondContact O-CG2 3.39Å; I263-V267 PolarHBondContact O-N 3.29Å; I263-M296 HydrophobicContact CD1-CE 4.42Å; I263-F316 HydrophobicContact CD1-CD1 4.45Å; I263-F316 HydrophobicContact CD1-CE1 3.75Å; I263-F316 HydrophobicContact CD1-CE2 3.8Å; I263-F316 HydrophobicContact CD1-CZ 3.36Å; I263-R319 HydrophobicContact CG2-CB 3.72Å; I263-A320 HydrophobicContact CD1-CB 4.45Å; I263-I323 HydrophobicContact CB-CD1 4.19Å; I263-I323 HydrophobicContact CG1-CD1 3.87Å; I263-I323 HydrophobicContact CG2-CD1 4.1Å |
| 264 | N | 92.9 | Very high | 91.7 | Very high | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 176.1 | -76.9 | -14.8 | 0 | 0 | 0 | 111.8 | G260 N261 L266 V267 E268 R319 | G260-N264 PolarHBondContact O-N 3.06Å; N261-N264 PolarHBondContact O-N 2.78Å; N264-L266 VanDerWaalsContact C-N 3.29Å; N264-L266 PolarHBondContact O-N 2.74Å; N264-V267 PolarHBondContact O-N 3.17Å; N264-V267 VanDerWaalsContact O-N 3.11Å; N264-E268 WeakPolarHBondContact O-CB 3.32Å; N264-E268 WeakPolarHBondContact O-CG 3.36Å; N264-E268 PolarHBondContact O-N 3.04Å; N264-R319 WeakPolarHBondContact OD1-CD 3.5Å; N264-R319 PolarHBondContact OD1-NH1 2.96Å |
| 265 | A | 94.1 | Very high | 92 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -40.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | N261 V262 G269 S270 V273 | N261-A265 WeakPolarHBondContact O-CB 3.46Å; N261-A265 PolarHBondContact O-N 2.85Å; V262-A265 PolarHBondContact O-N 2.84Å; A265-G269 PolarHBondContact O-N 3.36Å; A265-G269 VanDerWaalsContact O-N 3.16Å; A265-S270 WeakPolarHBondContact O-CB 3.45Å; A265-S270 PolarHBondContact O-N 2.83Å; A265-V273 HydrophobicContact CB-CB 4.38Å; A265-V273 HydrophobicContact CB-CG1 4.25Å; A265-V273 HydrophobicContact CB-CG2 4.1Å |
| 266 | L | 92.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -37.5 | 175.8 | -75.6 | 166.4 | 0 | 0 | 0 | 113.3 | V262 I263 N264 G269 V273 L288 I323 | V262-L266 HydrophobicContact CG1-CD1 3.84Å; V262-L266 WeakPolarHBondContact O-CB 3.37Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.42Å; I263-L266 PolarHBondContact O-N 3.28Å; N264-L266 VanDerWaalsContact C-N 3.29Å; N264-L266 PolarHBondContact O-N 2.74Å; L266-G269 PolarHBondContact O-N 2.85Å; L266-V273 HydrophobicContact CD1-CG1 4.42Å; L266-V273 HydrophobicContact CD2-CG1 4.46Å; L266-V273 HydrophobicContact CD2-CG2 3.96Å; L266-V273 HydrophobicContact CG-CG1 4.02Å; L266-V273 HydrophobicContact CG-CG2 4.12Å; L266-L288 HydrophobicContact CD1-CB 3.97Å; L266-L288 WeakPolarHBondContact CD1-O 3.3Å; L266-I323 HydrophobicContact CB-CD1 4.02Å; L266-I323 HydrophobicContact CB-CG1 3.94Å; L266-I323 HydrophobicContact CB-CG2 4.33Å; L266-I323 HydrophobicContact CD1-CD1 3.98Å; L266-I323 HydrophobicContact CD1-CG2 4.17Å |
| 267 | V | 90.3 | Very high | 92.2 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.6 | -35 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | I263 N264 G269 R319 T322 I323 | I263-V267 HydrophobicContact CG2-CG2 4.37Å; I263-V267 WeakPolarHBondContact O-CB 3.33Å; I263-V267 WeakPolarHBondContact O-CG2 3.39Å; I263-V267 PolarHBondContact O-N 3.29Å; N264-V267 PolarHBondContact O-N 3.17Å; N264-V267 VanDerWaalsContact O-N 3.11Å; V267-G269 VanDerWaalsContact C-N 3.28Å; V267-R319 HydrophobicContact CG2-CB 4.41Å; V267-R319 VanDerWaalsContact CG2-O 3.25Å; V267-R319 WeakPolarHBondContact CG2-O 3.37Å; V267-T322 WeakPolarHBondContact CG1-OG1 3.33Å; V267-T322 VanDerWaalsContact CG2-OG1 3.27Å; V267-T322 WeakPolarHBondContact CG2-OG1 3.43Å; V267-I323 HydrophobicContact CG2-CG1 3.86Å |
| 268 | E | 90.6 | Very high | 92.4 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.6 | 176.5 | -69.3 | 165.3 | -161.7 | 0 | 0 | 112.9 | N264 S270 | N264-E268 WeakPolarHBondContact O-CB 3.32Å; N264-E268 WeakPolarHBondContact O-CG 3.36Å; N264-E268 PolarHBondContact O-N 3.04Å; E268-S270 VanDerWaalsContact C-N 3.31Å |
| 269 | G | 87.4 | Confident | 92.4 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 27 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A265 L266 V267 | A265-G269 PolarHBondContact O-N 3.36Å; A265-G269 VanDerWaalsContact O-N 3.16Å; L266-G269 PolarHBondContact O-N 2.85Å; V267-G269 VanDerWaalsContact C-N 3.28Å |
| 270 | S | 88.1 | Confident | 92.4 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | trans | -60.9 | 133.4 | -178.6 | -79.7 | 0 | 0 | 0 | 0 | 112.1 | A265 E268 H272 | A265-S270 WeakPolarHBondContact O-CB 3.45Å; A265-S270 PolarHBondContact O-N 2.83Å; E268-S270 VanDerWaalsContact C-N 3.31Å; S270-H272 PolarHBondContact O-N 3.47Å; S270-H272 VanDerWaalsContact O-N 3.17Å | ||
| 271 | S | 87.1 | Confident | 92.4 | Very high | 138 Ų | 138 | 55.2 Ų | 55.2 | 97% | 0.965 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -66.1 | -16.2 | -178.5 | 57.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 272 | H | 91.9 | Very high | 92.5 | Very high | 145 Ų | 145 | 53.6 Ų | 53.6 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -128.6 | 113.8 | 173.1 | 174.5 | -85.3 | 0 | 0 | 0 | 110 | S270 | S270-H272 PolarHBondContact O-N 3.47Å; S270-H272 VanDerWaalsContact O-N 3.17Å |
| 273 | V | 93.7 | Very high | 92.4 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | trans | -99.9 | 124.6 | 177.7 | 180 | 0 | 0 | 0 | 0 | 109.2 | V262 A265 L266 Y275 | V262-V273 HydrophobicContact CB-CG1 4.21Å; V262-V273 HydrophobicContact CG1-CG1 3.82Å; V262-V273 HydrophobicContact CG2-CG1 4.12Å; A265-V273 HydrophobicContact CB-CB 4.38Å; A265-V273 HydrophobicContact CB-CG1 4.25Å; A265-V273 HydrophobicContact CB-CG2 4.1Å; L266-V273 HydrophobicContact CD1-CG1 4.42Å; L266-V273 HydrophobicContact CD2-CG1 4.46Å; L266-V273 HydrophobicContact CD2-CG2 3.96Å; L266-V273 HydrophobicContact CG-CG1 4.02Å; L266-V273 HydrophobicContact CG-CG2 4.12Å; V273-Y275 HydrophobicContact CB-CD2 4.03Å; V273-Y275 HydrophobicContact CB-CE2 3.56Å; V273-Y275 HydrophobicContact CG1-CD1 4.17Å; V273-Y275 HydrophobicContact CG1-CD2 3.92Å; V273-Y275 HydrophobicContact CG1-CE1 3.77Å; V273-Y275 HydrophobicContact CG1-CE2 3.52Å; V273-Y275 HydrophobicContact CG1-CG 4.23Å; V273-Y275 VanDerWaalsContact CG1-CZ 3.43Å; V273-Y275 HydrophobicContact CG2-CE2 4.48Å; V273-Y275 WeakPolarHBondContact O-CD2 3.41Å; V273-Y275 PolarHBondContact O-N 2.85Å | ||
| 274 | P | 94.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 54 Ų | 54 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | trans | -81.2 | 51.3 | -167.8 | 34.1 | -38.2 | 0 | 0 | 0 | 113.9 | N261 V262 R276 D277 | N261-P274 HydrophobicContact CB-CG 4.17Å; V262-P274 HydrophobicContact CG2-CG 4.13Å; P274-R276 PolarHBondContact O-N 3.2Å; P274-D277 PolarHBondContact O-N 2.75Å | ||
| 275 | Y | 94.5 | Very high | 92.3 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 15% | 0.145 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -56.3 | -26.9 | 179.7 | -60.1 | -74.3 | 0 | 0 | 0 | 113.4 | V262 V273 D277 T281 R282 Q285 L288 | V262-Y275 HydrophobicContact CG1-CD1 3.82Å; V262-Y275 HydrophobicContact CG1-CE1 3.63Å; V262-Y275 HydrophobicContact CG2-CD1 4.13Å; V273-Y275 HydrophobicContact CB-CD2 4.03Å; V273-Y275 HydrophobicContact CB-CE2 3.56Å; V273-Y275 HydrophobicContact CG1-CD1 4.17Å; V273-Y275 HydrophobicContact CG1-CD2 3.92Å; V273-Y275 HydrophobicContact CG1-CE1 3.77Å; V273-Y275 HydrophobicContact CG1-CE2 3.52Å; V273-Y275 HydrophobicContact CG1-CG 4.23Å; V273-Y275 VanDerWaalsContact CG1-CZ 3.43Å; V273-Y275 HydrophobicContact CG2-CE2 4.48Å; V273-Y275 WeakPolarHBondContact O-CD2 3.41Å; V273-Y275 PolarHBondContact O-N 2.85Å; Y275-D277 VanDerWaalsContact C-N 3.32Å; Y275-D277 PolarHBondContact O-N 3.43Å; Y275-T281 WeakPolarHBondContact CD1-O 3.43Å; Y275-T281 CarbonylContact O-C 3.52Å; Y275-T281 VanDerWaalsContact O-CB 3.28Å; Y275-T281 WeakPolarHBondContact O-CB 3.28Å; Y275-T281 PolarHBondContact O-OG1 3.45Å; Y275-R282 WeakPolarHBondContact O-CG 3.2Å; Y275-R282 PolarHBondContact O-N 3.34Å; Y275-Q285 HydrophobicContact CD1-CB 4.1Å; Y275-Q285 HydrophobicContact CD1-CG 3.91Å; Y275-Q285 HydrophobicContact CD2-CG 3.93Å; Y275-Q285 HydrophobicContact CE1-CB 4.36Å; Y275-Q285 HydrophobicContact CE1-CG 3.99Å; Y275-Q285 HydrophobicContact CE2-CG 3.98Å; Y275-Q285 HydrophobicContact CG-CB 4.38Å; Y275-Q285 HydrophobicContact CG-CG 3.88Å; Y275-L288 PolarHBondContact OH-O 3.18Å |
| 276 | R | 92.7 | Very high | 92.1 | Very high | 171 Ų | 171 | 54.2 Ų | 54.2 | 65% | 0.645 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -78 | -6.9 | -175.8 | -68.7 | -175.9 | 168.1 | 179 | -3.3 | 115 | E155 P274 S278 R282 | E155-R276 VanDerWaalsContact CD-NH2 3.25Å; E155-R276 IonicContact OE1-CZ 3.44Å; E155-R276 IonicContact OE1-NE 2.71Å; E155-R276 IonicContact OE1-NH2 2.7Å; E155-R276 PolarHBondContact OE1-NH2 3.22Å; E155-R276 IonicContact OE2-NH2 3.15Å; E155-R276 PolarHBondContact OE2-NH2 3.32Å; P274-R276 PolarHBondContact O-N 3.2Å; R276-S278 PolarHBondContact O-N 2.67Å; R276-R282 HydrophobicContact CG-CG 4.29Å |
| 277 | D | 92.7 | Very high | 92.1 | Very high | 76 Ų | 76 | 52.2 Ų | 52.2 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -66.6 | -20.4 | -179.1 | -74.9 | 12.1 | 0 | 0 | 0 | 114 | K254 A258 P274 Y275 | K254-D277 WeakPolarHBondContact CE-O 3.43Å; K254-D277 PolarHBondContact NZ-O 3.47Å; A258-D277 HydrophobicContact CB-CB 3.7Å; P274-D277 PolarHBondContact O-N 2.75Å; Y275-D277 VanDerWaalsContact C-N 3.32Å; Y275-D277 PolarHBondContact O-N 3.43Å |
| 278 | S | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -148.6 | 158.3 | 171.1 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | R276 L280 T281 R282 | R276-S278 PolarHBondContact O-N 2.67Å; S278-L280 VanDerWaalsContact C-N 3.29Å; S278-L280 PolarHBondContact O-N 2.83Å; S278-T281 PolarHBondContact N-OG1 3.36Å; S278-T281 PolarHBondContact O-N 2.84Å; S278-T281 PolarHBondContact O-OG1 3.37Å; S278-T281 PolarHBondContact OG-N 2.84Å; S278-T281 VanDerWaalsContact OG-N 3.11Å; S278-T281 PolarHBondContact OG-OG1 3.46Å; S278-R282 PolarHBondContact O-N 2.86Å |
| 279 | K | 93.7 | Very high | 92 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 172.6 | -66.2 | -171.5 | -171.4 | 176.4 | 0 | 112.5 | D138 I140 N150 L151 V153 R282 I283 | D138-K279 WeakPolarHBondContact O-CD 3.36Å; D138-K279 WeakPolarHBondContact O-CE 3.46Å; D138-K279 PolarHBondContact O-NZ 2.81Å; D138-K279 PolarHBondContact OD1-N 3.31Å; I140-K279 HydrophobicContact CD1-CB 4.27Å; I140-K279 HydrophobicContact CD1-CD 3.79Å; I140-K279 HydrophobicContact CG1-CB 4.43Å; I140-K279 HydrophobicContact CG1-CD 3.81Å; N150-K279 PolarHBondContact OD1-NZ 3.18Å; L151-K279 PolarHBondContact O-NZ 3.11Å; V153-K279 HydrophobicContact CG2-CB 4.12Å; V153-K279 HydrophobicContact CG2-CD 4.35Å; V153-K279 HydrophobicContact CG2-CG 4.26Å; K279-R282 PolarHBondContact O-N 2.97Å; K279-I283 WeakPolarHBondContact O-CG1 3.22Å; K279-I283 PolarHBondContact O-N 3.33Å |
| 280 | L | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 176 | 175.5 | 68.7 | 0 | 0 | 0 | 111.2 | I135 H203 L230 S278 R282 I283 L284 | I135-L280 HydrophobicContact CD1-CB 4.14Å; I135-L280 HydrophobicContact CD1-CD1 4.05Å; H203-L280 HydrophobicContact CB-CD1 4.41Å; L230-L280 HydrophobicContact CD2-CD1 3.88Å; L230-L280 HydrophobicContact CD2-CD2 3.99Å; S278-L280 VanDerWaalsContact C-N 3.29Å; S278-L280 PolarHBondContact O-N 2.83Å; L280-R282 VanDerWaalsContact C-N 3.3Å; L280-R282 PolarHBondContact O-N 2.74Å; L280-I283 PolarHBondContact O-N 2.93Å; L280-L284 HydrophobicContact CD1-CD1 3.83Å; L280-L284 HydrophobicContact CD1-CG 4.3Å; L280-L284 HydrophobicContact CG-CD1 4.1Å; L280-L284 PolarHBondContact O-N 3.07Å |
| 281 | T | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -25.4 | -179.9 | 42.8 | 0 | 0 | 0 | 0 | 113.6 | A258 L259 V262 Y275 S278 Q285 | A258-T281 HydrophobicContact CB-CG2 4.18Å; L259-T281 VanDerWaalsContact CA-CG2 3.5Å; L259-T281 HydrophobicContact CB-CG2 3.96Å; L259-T281 HydrophobicContact CD1-CG2 4.31Å; V262-T281 HydrophobicContact CB-CG2 4.4Å; V262-T281 HydrophobicContact CG2-CG2 3.9Å; Y275-T281 WeakPolarHBondContact CD1-O 3.43Å; Y275-T281 CarbonylContact O-C 3.52Å; Y275-T281 VanDerWaalsContact O-CB 3.28Å; Y275-T281 WeakPolarHBondContact O-CB 3.28Å; Y275-T281 PolarHBondContact O-OG1 3.45Å; S278-T281 PolarHBondContact N-OG1 3.36Å; S278-T281 PolarHBondContact O-N 2.84Å; S278-T281 PolarHBondContact O-OG1 3.37Å; S278-T281 PolarHBondContact OG-N 2.84Å; S278-T281 VanDerWaalsContact OG-N 3.11Å; S278-T281 PolarHBondContact OG-OG1 3.46Å; T281-Q285 PolarHBondContact O-N 3.06Å |
| 282 | R | 94.2 | Very high | 92.7 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.7 | -42.9 | 168.7 | -65.5 | -174.4 | 71.1 | -148.5 | -4.2 | 111.8 | V153 E155 P161 Y275 R276 S278 K279 L280 Q285 | V153-R282 HydrophobicContact CG1-CB 4.06Å; V153-R282 PolarHBondContact O-NH1 2.89Å; V153-R282 PolarHBondContact O-NH2 3.46Å; E155-R282 IonicContact OE1-CZ 3.88Å; E155-R282 IonicContact OE1-NE 3.72Å; E155-R282 IonicContact OE1-NH2 3.86Å; E155-R282 PolarHBondContact OE1-NH2 2.88Å; P161-R282 WeakPolarHBondContact CB-O 3.37Å; P161-R282 WeakPolarHBondContact CG-O 3.44Å; Y275-R282 WeakPolarHBondContact O-CG 3.2Å; Y275-R282 PolarHBondContact O-N 3.34Å; R276-R282 HydrophobicContact CG-CG 4.29Å; S278-R282 PolarHBondContact O-N 2.86Å; K279-R282 PolarHBondContact O-N 2.97Å; L280-R282 VanDerWaalsContact C-N 3.3Å; L280-R282 PolarHBondContact O-N 2.74Å; R282-Q285 WeakPolarHBondContact O-CB 2.95Å; R282-Q285 PolarHBondContact O-N 2.79Å |
| 283 | I | 93.4 | Very high | 92.8 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | 179 | -68.5 | 161.9 | 0 | 0 | 0 | 111 | F133 I135 I140 V153 V163 Y226 K279 L280 Q285 | F133-I283 HydrophobicContact CE2-CD1 3.97Å; F133-I283 HydrophobicContact CZ-CD1 4.38Å; I135-I283 HydrophobicContact CD1-CD1 3.77Å; I140-I283 HydrophobicContact CD1-CD1 3.8Å; V153-I283 HydrophobicContact CG1-CG1 4.47Å; V153-I283 HydrophobicContact CG2-CD1 4.05Å; V153-I283 HydrophobicContact CG2-CG1 4.01Å; V163-I283 HydrophobicContact CG2-CD1 3.7Å; V163-I283 HydrophobicContact CG2-CG1 4.05Å; Y226-I283 HydrophobicContact CE1-CG2 4.4Å; K279-I283 WeakPolarHBondContact O-CG1 3.22Å; K279-I283 PolarHBondContact O-N 3.33Å; L280-I283 PolarHBondContact O-N 2.93Å; I283-Q285 PolarHBondContact O-N 3.4Å |
| 284 | L | 92 | Very high | 92.9 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 13 | 177.5 | -62.9 | 178.4 | 0 | 0 | 0 | 114.4 | T78 F80 V228 L259 L280 S287 L288 | T78-L284 HydrophobicContact CG2-CD2 4.42Å; F80-L284 HydrophobicContact CD1-CD2 4.27Å; V228-L284 HydrophobicContact CG2-CD2 4.43Å; L259-L284 HydrophobicContact CD1-CD1 4.5Å; L280-L284 HydrophobicContact CD1-CD1 3.83Å; L280-L284 HydrophobicContact CD1-CG 4.3Å; L280-L284 HydrophobicContact CG-CD1 4.1Å; L280-L284 PolarHBondContact O-N 3.07Å; L284-S287 WeakPolarHBondContact O-CB 3.28Å; L284-S287 PolarHBondContact O-N 3.42Å; L284-S287 VanDerWaalsContact O-N 3.13Å; L284-L288 HydrophobicContact CB-CD1 3.98Å; L284-L288 HydrophobicContact CB-CG 4.37Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.16Å |
| 285 | Q | 92.9 | Very high | 93 | Very high | 50 Ų | 50 | 27.5 Ų | 27.5 | 23% | 0.234 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33.8 | -179.2 | -170.8 | -177.5 | -64.2 | 0 | 0 | 112.7 | P161 Y275 T281 R282 I283 S287 | P161-Q285 HydrophobicContact CG-CB 3.86Å; Y275-Q285 HydrophobicContact CD1-CB 4.1Å; Y275-Q285 HydrophobicContact CD1-CG 3.91Å; Y275-Q285 HydrophobicContact CD2-CG 3.93Å; Y275-Q285 HydrophobicContact CE1-CB 4.36Å; Y275-Q285 HydrophobicContact CE1-CG 3.99Å; Y275-Q285 HydrophobicContact CE2-CG 3.98Å; Y275-Q285 HydrophobicContact CG-CB 4.38Å; Y275-Q285 HydrophobicContact CG-CG 3.88Å; T281-Q285 PolarHBondContact O-N 3.06Å; R282-Q285 WeakPolarHBondContact O-CB 2.95Å; R282-Q285 PolarHBondContact O-N 2.79Å; I283-Q285 PolarHBondContact O-N 3.4Å; Q285-S287 VanDerWaalsContact C-N 3.32Å |
| 286 | E | 90.9 | Very high | 93.1 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -34.4 | 170.5 | -65.9 | -160.4 | 85.7 | 0 | 0 | 111.4 | N76 V160 K224 G290 N291 A292 | N76-E286 PolarHBondContact ND2-OE1 3.35Å; V160-E286 VanDerWaalsContact CG1-CD 3.43Å; V160-E286 HydrophobicContact CG1-CG 3.93Å; V160-E286 VanDerWaalsContact CG1-OE2 3.24Å; V160-E286 WeakPolarHBondContact CG1-OE2 3.3Å; K224-E286 IonicContact NZ-OE2 2.72Å; K224-E286 PolarHBondContact NZ-OE2 3.03Å; E286-G290 CarbonylContact O-C 3.59Å; E286-G290 VanDerWaalsContact O-CA 3.23Å; E286-G290 WeakPolarHBondContact O-CA 3.11Å; E286-G290 PolarHBondContact O-N 2.95Å; E286-N291 CarbonylContact O-C 3.6Å; E286-N291 PolarHBondContact O-N 3.1Å; E286-A292 PolarHBondContact O-N 3.43Å |
| 287 | S | 91.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.2 | -176.4 | -42 | 0 | 0 | 0 | 0 | 114.7 | T78 L284 Q285 T294 N325 | T78-S287 WeakPolarHBondContact CG2-OG 3.24Å; T78-S287 PolarHBondContact OG1-OG 3.03Å; L284-S287 WeakPolarHBondContact O-CB 3.28Å; L284-S287 PolarHBondContact O-N 3.42Å; L284-S287 VanDerWaalsContact O-N 3.13Å; Q285-S287 VanDerWaalsContact C-N 3.32Å; S287-T294 PolarHBondContact O-OG1 3.34Å; S287-T294 VanDerWaalsContact O-OG1 3.05Å; S287-N325 PolarHBondContact O-ND2 2.92Å |
| 288 | L | 91.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -124.3 | 88.9 | -172 | -60.6 | 173.8 | 0 | 0 | 0 | 109.5 | I5 F80 L259 V262 L266 Y275 L284 | I5-L288 HydrophobicContact CD1-CD2 3.66Å; F80-L288 HydrophobicContact CE1-CD2 4.12Å; F80-L288 HydrophobicContact CZ-CD2 3.78Å; L259-L288 HydrophobicContact CD1-CD1 3.38Å; V262-L288 HydrophobicContact CG1-CD1 4.27Å; L266-L288 HydrophobicContact CD1-CB 3.97Å; L266-L288 WeakPolarHBondContact CD1-O 3.3Å; Y275-L288 PolarHBondContact OH-O 3.18Å; L284-L288 HydrophobicContact CB-CD1 3.98Å; L284-L288 HydrophobicContact CB-CG 4.37Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.16Å |
| 289 | G | 88.4 | Confident | 93.7 | Very high | 30 Ų | 30 | 14 Ų | 14 | 31% | 0.309 | 8% | 0.078 | S | C | . | . | S | Bend | trans | 86.1 | -0.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N325 | G289-N325 WeakPolarHBondContact CA-OD1 3.27Å; G289-N325 PolarHBondContact N-OD1 2.92Å |
| 290 | G | 90.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 12.2 Ų | 12.2 | 22% | 0.216 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -100.9 | -155.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E286 A292 N325 L326 | E286-G290 CarbonylContact O-C 3.59Å; E286-G290 VanDerWaalsContact O-CA 3.23Å; E286-G290 WeakPolarHBondContact O-CA 3.11Å; E286-G290 PolarHBondContact O-N 2.95Å; G290-A292 PolarHBondContact O-N 3.24Å; G290-N325 WeakPolarHBondContact O-CB 3.38Å; G290-L326 PolarHBondContact O-N 2.86Å |
| 291 | N | 92.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 12.2 Ų | 12.2 | 14% | 0.139 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -91.7 | 83.6 | 173.2 | 179 | 24.7 | 0 | 0 | 0 | 111.3 | N76 E286 L326 V327 T328 N330 | N76-N291 VanDerWaalsContact CB-O 3.25Å; N76-N291 WeakPolarHBondContact CB-O 3.35Å; N76-N291 PolarHBondContact ND2-O 3.44Å; E286-N291 CarbonylContact O-C 3.6Å; E286-N291 PolarHBondContact O-N 3.1Å; N291-L326 WeakPolarHBondContact CA-O 3.36Å; N291-V327 WeakPolarHBondContact OD1-CA 3.36Å; N291-T328 PolarHBondContact ND2-O 3.03Å; N291-T328 VanDerWaalsContact ND2-O 3.1Å; N291-T328 PolarHBondContact ND2-OG1 2.89Å; N291-T328 PolarHBondContact OD1-N 3.08Å; N291-T328 PolarHBondContact OD1-O 2.88Å; N291-T328 PolarHBondContact OD1-OG1 2.78Å; N291-N330 PolarHBondContact ND2-OD1 3.23Å |
| 292 | A | 93.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -159.7 | 142.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N76 E286 G290 T294 N325 | N76-A292 HydrophobicContact CB-CB 3.74Å; N76-A292 CarbonylContact O-C 3.6Å; N76-A292 WeakPolarHBondContact O-CA 3.41Å; E286-A292 PolarHBondContact O-N 3.43Å; G290-A292 PolarHBondContact O-N 3.24Å; A292-T294 PolarHBondContact O-N 3.36Å; A292-T294 PolarHBondContact O-OG1 2.85Å; A292-N325 PolarHBondContact O-ND2 2.87Å |
| 293 | R | 94.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 10.1 Ų | 10.1 | 14% | 0.143 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 115.4 | 167.2 | -63 | -174.2 | -175 | -94.5 | 33.2 | 109.1 | E3 D70 N76 G77 T78 V327 | E3-R293 IonicContact OE1-CZ 2.79Å; E3-R293 IonicContact OE1-NH1 2.74Å; E3-R293 PolarHBondContact OE1-NH1 3.43Å; E3-R293 IonicContact OE2-CZ 2.8Å; E3-R293 IonicContact OE2-NH1 3.09Å; E3-R293 PolarHBondContact OE2-NH1 3.22Å; D70-R293 VanDerWaalsContact CG-CZ 3.48Å; D70-R293 IonicContact OD1-CZ 3.96Å; D70-R293 IonicContact OD1-NE 2.71Å; D70-R293 PolarHBondContact OD1-NE 3.06Å; D70-R293 IonicContact OD1-NH2 2.67Å; D70-R293 PolarHBondContact OD1-NH2 3.25Å; D70-R293 WeakPolarHBondContact OD2-CD 3.45Å; D70-R293 IonicContact OD2-CZ 3.77Å; D70-R293 IonicContact OD2-NE 3.06Å; D70-R293 PolarHBondContact OD2-NE 2.94Å; D70-R293 VanDerWaalsContact OD2-NE 3.11Å; D70-R293 IonicContact OD2-NH2 2.96Å; N76-R293 PolarHBondContact O-N 3.13Å; G77-R293 CarbonylContact C-O 3.53Å; G77-R293 WeakPolarHBondContact CA-O 3.42Å; T78-R293 PolarHBondContact N-O 3.38Å; R293-V327 HydrophobicContact CG-CB 4.46Å; R293-V327 HydrophobicContact CG-CG1 3.63Å; R293-V327 HydrophobicContact CG-CG2 3.99Å |
| 294 | T | 95.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 11.9 Ų | 11.9 | 6% | 0.055 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125 | -166.3 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | I5 K6 T78 F80 S287 A292 N325 | I5-T294 HydrophobicContact CD1-CG2 4.35Å; I5-T294 HydrophobicContact CG1-CG2 4.44Å; I5-T294 HydrophobicContact CG2-CG2 4.12Å; K6-T294 PolarHBondContact N-O 2.71Å; T78-T294 HydrophobicContact CG2-CG2 4.33Å; T78-T294 WeakPolarHBondContact O-CA 3.35Å; F80-T294 HydrophobicContact CD1-CG2 4.36Å; F80-T294 HydrophobicContact CE1-CG2 3.39Å; F80-T294 HydrophobicContact CE2-CG2 4.4Å; F80-T294 HydrophobicContact CZ-CG2 3.4Å; S287-T294 PolarHBondContact O-OG1 3.34Å; S287-T294 VanDerWaalsContact O-OG1 3.05Å; A292-T294 PolarHBondContact O-N 3.36Å; A292-T294 PolarHBondContact O-OG1 2.85Å; T294-N325 PolarHBondContact OG1-ND2 3.22Å |
| 295 | T | 96.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.1 | 172.2 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | K6 I8 V63 I67 T78 I79 F80 V297 | K6-T295 HydrophobicContact CB-CG2 4.48Å; K6-T295 HydrophobicContact CD-CG2 4.48Å; K6-T295 CarbonylContact O-C 3.57Å; K6-T295 VanDerWaalsContact O-CA 3.31Å; K6-T295 WeakPolarHBondContact O-CA 3.33Å; I8-T295 HydrophobicContact CG1-CG2 3.75Å; V63-T295 HydrophobicContact CG1-CG2 3.95Å; V63-T295 PolarHBondContact O-OG1 2.82Å; I67-T295 WeakPolarHBondContact CD1-OG1 3.42Å; T78-T295 PolarHBondContact O-N 3.43Å; I79-T295 WeakPolarHBondContact CA-O 3.34Å; F80-T295 PolarHBondContact N-O 3.13Å; T295-V297 HydrophobicContact CG2-CG2 4.3Å |
| 296 | M | 96.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.2 | 167.1 | -173.2 | 177.3 | -78.2 | 0 | 0 | 109.7 | I5 K6 V7 I8 F80 I263 I298 F316 A320 | I5-M296 HydrophobicContact CG2-CB 4.3Å; K6-M296 PolarHBondContact O-N 2.79Å; V7-M296 HydrophobicContact CG1-CB 4.32Å; V7-M296 HydrophobicContact CG1-CG 4.5Å; V7-M296 HydrophobicContact CG1-SD 4.38Å; V7-M296 HydrophobicContact CG2-CB 4.11Å; I8-M296 PolarHBondContact N-O 3.45Å; F80-M296 HydrophobicContact CD2-CB 4.06Å; F80-M296 HydrophobicContact CD2-CE 4.33Å; F80-M296 HydrophobicContact CD2-CG 3.92Å; F80-M296 HydrophobicContact CE2-CB 3.53Å; F80-M296 HydrophobicContact CE2-CE 3.5Å; F80-M296 VanDerWaalsContact CE2-CE 3.5Å; F80-M296 HydrophobicContact CE2-CG 3.63Å; F80-M296 HydrophobicContact CE2-SD 4.43Å; F80-M296 HydrophobicContact CZ-CB 4.5Å; F80-M296 HydrophobicContact CZ-CE 4.29Å; I263-M296 HydrophobicContact CD1-CE 4.42Å; M296-I298 HydrophobicContact CG-CG2 3.68Å; M296-I298 HydrophobicContact SD-CG2 3.5Å; M296-I298 WeakPolarHBondContact SD-CG2 3.34Å; M296-F316 HydrophobicContact CE-CD1 3.93Å; M296-F316 HydrophobicContact CE-CE1 3.44Å; M296-F316 VanDerWaalsContact CE-CE1 3.44Å; M296-F316 HydrophobicContact CE-CZ 4.48Å; M296-F316 HydrophobicContact SD-CD1 3.95Å; M296-F316 HydrophobicContact SD-CE1 4Å; M296-A320 HydrophobicContact CE-CB 3.23Å; M296-A320 HydrophobicContact SD-CB 3.75Å |
| 297 | V | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 108.3 | 167.6 | -170 | 0 | 0 | 0 | 0 | 109.1 | I8 R10 V63 I79 F80 A81 Y82 T92 T295 | I8-V297 CarbonylContact O-C 3.48Å; I8-V297 WeakPolarHBondContact O-CA 3.44Å; R10-V297 HydrophobicContact CB-CG1 4.35Å; V63-V297 HydrophobicContact CB-CG2 4.39Å; V63-V297 HydrophobicContact CG1-CG2 3.59Å; V63-V297 HydrophobicContact CG2-CG2 3.79Å; I79-V297 HydrophobicContact CG2-CG2 4.33Å; F80-V297 PolarHBondContact O-N 3.42Å; A81-V297 CarbonylContact C-O 3.59Å; A81-V297 WeakPolarHBondContact CA-O 3.13Å; Y82-V297 PolarHBondContact N-O 3.38Å; T92-V297 HydrophobicContact CG2-CG1 4.14Å; T295-V297 HydrophobicContact CG2-CG2 4.3Å |
| 298 | I | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.5 | 176.6 | 66.3 | -178.8 | 0 | 0 | 0 | 110 | V7 I8 C9 R10 F46 Y82 M296 T313 L314 | V7-I298 HydrophobicContact CG1-CD1 4.16Å; V7-I298 HydrophobicContact CG1-CG1 4.46Å; V7-I298 HydrophobicContact CG1-CG2 4.31Å; I8-I298 PolarHBondContact O-N 3.38Å; C9-I298 HydrophobicContact CB-CD1 4.06Å; C9-I298 HydrophobicContact CB-CG1 3.81Å; R10-I298 PolarHBondContact N-O 3.28Å; F46-I298 HydrophobicContact CD1-CD1 4.14Å; F46-I298 HydrophobicContact CE1-CD1 3.52Å; F46-I298 HydrophobicContact CE2-CD1 4.16Å; F46-I298 HydrophobicContact CZ-CD1 3.53Å; Y82-I298 HydrophobicContact CD1-CG2 4.31Å; Y82-I298 CarbonylContact O-C 3.4Å; Y82-I298 WeakPolarHBondContact O-CA 3.41Å; M296-I298 HydrophobicContact CG-CG2 3.68Å; M296-I298 HydrophobicContact SD-CG2 3.5Å; M296-I298 WeakPolarHBondContact SD-CG2 3.34Å; I298-T313 HydrophobicContact CB-CG2 3.85Å; I298-T313 HydrophobicContact CG2-CG2 4.5Å; I298-L314 HydrophobicContact CD1-CD2 4.07Å |
| 299 | C | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.7 | -178.9 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | R10 Y82 S87 K89 | R10-C299 WeakPolarHBondContact O-CA 3.31Å; Y82-C299 PolarHBondContact O-N 2.97Å; S87-C299 VanDerWaalsContact CB-O 3.3Å; S87-C299 WeakPolarHBondContact CB-O 3.3Å; S87-C299 WeakPolarHBondContact OG-CB 3.46Å; S87-C299 PolarHBondContact OG-O 2.59Å; K89-C299 HydrophobicContact CG-CB 3.89Å |
| 300 | C | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139 | -173.7 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | R10 V11 R12 T310 | R10-C300 PolarHBondContact O-N 2.95Å; V11-C300 HydrophobicContact CG2-CB 4.4Å; R12-C300 PolarHBondContact N-O 3.37Å; C300-T310 HydrophobicContact CB-CG2 3.88Å |
| 301 | S | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -86.4 | 138.2 | 163.4 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | R12 E18 A303 N306 T310 | R12-S301 PolarHBondContact NH2-OG 2.73Å; E18-S301 PolarHBondContact OE1-OG 3.39Å; S301-A303 VanDerWaalsContact C-N 3.32Å; S301-A303 WeakPolarHBondContact OG-CB 3.49Å; S301-A303 PolarHBondContact OG-N 3.17Å; S301-N306 WeakPolarHBondContact CB-ND2 3.47Å; S301-T310 PolarHBondContact N-OG1 3.31Å; S301-T310 PolarHBondContact O-OG1 3.41Å | ||
| 302 | P | 93.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -83.9 | -2.8 | 174.2 | 36.2 | -37.1 | 0 | 0 | 0 | 113.7 | V11 R12 L14 F25 V26 V27 | V11-P302 HydrophobicContact CG1-CB 3.87Å; V11-P302 HydrophobicContact CG1-CG 4.24Å; R12-P302 VanDerWaalsContact O-CD 3.27Å; R12-P302 WeakPolarHBondContact O-CD 3.33Å; R12-P302 WeakPolarHBondContact O-CG 3.36Å; L14-P302 HydrophobicContact CD2-CG 3.93Å; L14-P302 HydrophobicContact CG-CG 4.22Å; F25-P302 CarbonylContact C-O 3.55Å; F25-P302 WeakPolarHBondContact CA-O 3.4Å; F25-P302 HydrophobicContact CD1-CB 4.14Å; F25-P302 HydrophobicContact CD2-CB 3.5Å; F25-P302 VanDerWaalsContact CD2-CB 3.5Å; F25-P302 HydrophobicContact CD2-CG 3.65Å; F25-P302 HydrophobicContact CE1-CB 3.98Å; F25-P302 HydrophobicContact CE2-CB 3.31Å; F25-P302 HydrophobicContact CE2-CG 3.46Å; F25-P302 VanDerWaalsContact CE2-CG 3.46Å; F25-P302 HydrophobicContact CG-CB 3.9Å; F25-P302 HydrophobicContact CG-CG 4.48Å; F25-P302 HydrophobicContact CZ-CB 3.56Å; F25-P302 HydrophobicContact CZ-CG 4.16Å; V26-P302 WeakPolarHBondContact CG2-O 3.48Å; V26-P302 PolarHBondContact N-O 2.61Å; V27-P302 HydrophobicContact CB-CB 4.35Å; V27-P302 HydrophobicContact CG2-CB 4.22Å | ||
| 303 | A | 92.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 141.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 E18 S301 F305 N306 D307 | L14-A303 HydrophobicContact CD2-CB 3.7Å; E18-A303 HydrophobicContact CB-CB 4.33Å; E18-A303 HydrophobicContact CG-CB 3.83Å; S301-A303 VanDerWaalsContact C-N 3.32Å; S301-A303 WeakPolarHBondContact OG-CB 3.49Å; S301-A303 PolarHBondContact OG-N 3.17Å; A303-F305 VanDerWaalsContact C-N 3.29Å; A303-F305 PolarHBondContact O-N 3.36Å; A303-N306 HydrophobicContact CB-CB 4.44Å; A303-N306 WeakPolarHBondContact CB-OD1 3.43Å; A303-N306 WeakPolarHBondContact O-CA 3.43Å; A303-N306 WeakPolarHBondContact O-CB 3.32Å; A303-N306 PolarHBondContact O-N 2.79Å; A303-D307 PolarHBondContact O-N 3.11Å |
| 304 | A | 90.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 20.9 Ų | 20.9 | 37% | 0.372 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -54.9 | -38.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K24 V26 N306 D307 | K24-A304 HydrophobicContact CB-CB 4.4Å; K24-A304 PolarHBondContact O-N 3.47Å; V26-A304 HydrophobicContact CG1-CB 3.67Å; A304-N306 PolarHBondContact O-N 3.3Å; A304-D307 VanDerWaalsContact O-CB 3.29Å; A304-D307 WeakPolarHBondContact O-CB 3.32Å; A304-D307 PolarHBondContact O-N 3.5Å |
| 305 | F | 86.5 | Confident | 93.9 | Very high | 159 Ų | 159 | 25.2 Ų | 25.2 | 70% | 0.697 | 14% | 0.14 | S | C | * | . | G | 310 helix | trans | -62 | -23.6 | 176.4 | 180 | -106.2 | 0 | 0 | 0 | 113.4 | K238 A303 | K238-F305 PolarHBondContact NZ-O 3.28Å; A303-F305 VanDerWaalsContact C-N 3.29Å; A303-F305 PolarHBondContact O-N 3.36Å |
| 306 | N | 90.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -99.1 | -9.1 | -173.8 | -59.4 | 57.7 | 0 | 0 | 0 | 112.5 | Q84 S301 A303 A304 A308 E309 T310 | Q84-N306 VanDerWaalsContact CD-ND2 3.32Å; Q84-N306 PolarHBondContact NE2-ND2 2.83Å; Q84-N306 PolarHBondContact OE1-ND2 3.46Å; S301-N306 WeakPolarHBondContact CB-ND2 3.47Å; A303-N306 HydrophobicContact CB-CB 4.44Å; A303-N306 WeakPolarHBondContact CB-OD1 3.43Å; A303-N306 WeakPolarHBondContact O-CA 3.43Å; A303-N306 WeakPolarHBondContact O-CB 3.32Å; A303-N306 PolarHBondContact O-N 2.79Å; A304-N306 PolarHBondContact O-N 3.3Å; N306-A308 VanDerWaalsContact C-N 3.28Å; N306-A308 PolarHBondContact O-N 2.76Å; N306-E309 PolarHBondContact O-N 3.3Å; N306-T310 PolarHBondContact O-N 3.19Å |
| 307 | D | 90.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 22% | 0.219 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -41.6 | -47.8 | -175 | 171.6 | 90 | 0 | 0 | 0 | 114.2 | V26 I39 A303 A304 K311 | V26-D307 HydrophobicContact CG2-CB 4.39Å; I39-D307 HydrophobicContact CD1-CB 4.46Å; I39-D307 WeakPolarHBondContact CD1-OD1 3.48Å; I39-D307 WeakPolarHBondContact CG1-OD1 3.48Å; A303-D307 PolarHBondContact O-N 3.11Å; A304-D307 VanDerWaalsContact O-CB 3.29Å; A304-D307 WeakPolarHBondContact O-CB 3.32Å; A304-D307 PolarHBondContact O-N 3.5Å; D307-K311 WeakPolarHBondContact O-CB 3.44Å; D307-K311 VanDerWaalsContact O-CG 3.31Å; D307-K311 WeakPolarHBondContact O-CG 3.47Å; D307-K311 PolarHBondContact O-N 2.98Å; D307-K311 WeakPolarHBondContact OD1-CE 3.26Å; D307-K311 IonicContact OD1-NZ 2.69Å; D307-K311 PolarHBondContact OD1-NZ 3.45Å; D307-K311 WeakPolarHBondContact OD2-CD 3.38Å; D307-K311 WeakPolarHBondContact OD2-CE 3.48Å; D307-K311 IonicContact OD2-NZ 2.72Å; D307-K311 PolarHBondContact OD2-NZ 3.46Å |
| 308 | A | 90.8 | Very high | 93.6 | Very high | 56 Ų | 56 | 29.2 Ų | 29.2 | 46% | 0.463 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.9 | -37.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N306 S312 | N306-A308 VanDerWaalsContact C-N 3.28Å; N306-A308 PolarHBondContact O-N 2.76Å; A308-S312 WeakPolarHBondContact O-CB 3.38Å; A308-S312 PolarHBondContact O-N 3.33Å |
| 309 | E | 92 | Very high | 93.4 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80.4 | -36.2 | 179.2 | -51.4 | -50.7 | 150.8 | 0 | 0 | 111 | Q84 E234 K238 N306 S312 T313 | Q84-E309 HydrophobicContact CB-CB 4.3Å; E234-E309 HydrophobicContact CB-CG 4.31Å; K238-E309 HydrophobicContact CD-CG 4.29Å; K238-E309 WeakPolarHBondContact CD-OE1 3.37Å; K238-E309 WeakPolarHBondContact CE-OE1 3.39Å; K238-E309 IonicContact NZ-OE1 3.65Å; N306-E309 PolarHBondContact O-N 3.3Å; E309-S312 WeakPolarHBondContact O-CB 3.42Å; E309-S312 PolarHBondContact O-N 2.97Å; E309-T313 VanDerWaalsContact O-CB 3.3Å; E309-T313 WeakPolarHBondContact O-CB 3.49Å; E309-T313 PolarHBondContact O-N 3.12Å; E309-T313 PolarHBondContact O-OG1 3.02Å |
| 310 | T | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 170 | -71.6 | 0 | 0 | 0 | 0 | 110.5 | I39 C300 S301 N306 S312 T313 L314 | I39-T310 HydrophobicContact CD1-CG2 3.7Å; C300-T310 HydrophobicContact CB-CG2 3.88Å; S301-T310 PolarHBondContact N-OG1 3.31Å; S301-T310 PolarHBondContact O-OG1 3.41Å; N306-T310 PolarHBondContact O-N 3.19Å; T310-S312 PolarHBondContact O-N 2.86Å; T310-T313 WeakPolarHBondContact O-CB 3.3Å; T310-T313 PolarHBondContact O-N 3.17Å; T310-L314 HydrophobicContact CG2-CD1 3.8Å; T310-L314 HydrophobicContact CG2-CG 4.34Å; T310-L314 WeakPolarHBondContact O-CG 3.48Å; T310-L314 PolarHBondContact O-N 3.39Å |
| 311 | K | 94.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 27% | 0.27 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 172.6 | -78 | 169.2 | -175.3 | 160.6 | 0 | 112.8 | I39 D307 T313 L314 M315 | I39-K311 HydrophobicContact CD1-CG 4.39Å; I39-K311 HydrophobicContact CG2-CG 3.72Å; D307-K311 WeakPolarHBondContact O-CB 3.44Å; D307-K311 VanDerWaalsContact O-CG 3.31Å; D307-K311 WeakPolarHBondContact O-CG 3.47Å; D307-K311 PolarHBondContact O-N 2.98Å; D307-K311 WeakPolarHBondContact OD1-CE 3.26Å; D307-K311 IonicContact OD1-NZ 2.69Å; D307-K311 PolarHBondContact OD1-NZ 3.45Å; D307-K311 WeakPolarHBondContact OD2-CD 3.38Å; D307-K311 WeakPolarHBondContact OD2-CE 3.48Å; D307-K311 IonicContact OD2-NZ 2.72Å; D307-K311 PolarHBondContact OD2-NZ 3.46Å; K311-T313 VanDerWaalsContact C-N 3.32Å; K311-T313 PolarHBondContact O-N 2.67Å; K311-L314 PolarHBondContact O-N 3.05Å; K311-M315 WeakPolarHBondContact O-CB 3.43Å; K311-M315 VanDerWaalsContact O-CG 3.28Å; K311-M315 WeakPolarHBondContact O-CG 3.25Å; K311-M315 PolarHBondContact O-N 2.89Å |
| 312 | S | 92.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 174.5 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | A308 E309 T310 M315 F316 | A308-S312 WeakPolarHBondContact O-CB 3.38Å; A308-S312 PolarHBondContact O-N 3.33Å; E309-S312 WeakPolarHBondContact O-CB 3.42Å; E309-S312 PolarHBondContact O-N 2.97Å; T310-S312 PolarHBondContact O-N 2.86Å; S312-M315 PolarHBondContact O-N 3Å; S312-F316 WeakPolarHBondContact O-CB 3.43Å; S312-F316 PolarHBondContact O-N 3.39Å |
| 313 | T | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | -180 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | Y82 I298 E309 T310 K311 F316 G317 | Y82-T313 HydrophobicContact CD1-CG2 4.14Å; Y82-T313 HydrophobicContact CE1-CG2 4.29Å; I298-T313 HydrophobicContact CB-CG2 3.85Å; I298-T313 HydrophobicContact CG2-CG2 4.5Å; E309-T313 VanDerWaalsContact O-CB 3.3Å; E309-T313 WeakPolarHBondContact O-CB 3.49Å; E309-T313 PolarHBondContact O-N 3.12Å; E309-T313 PolarHBondContact O-OG1 3.02Å; T310-T313 WeakPolarHBondContact O-CB 3.3Å; T310-T313 PolarHBondContact O-N 3.17Å; K311-T313 VanDerWaalsContact C-N 3.32Å; K311-T313 PolarHBondContact O-N 2.67Å; T313-F316 WeakPolarHBondContact O-CB 3.49Å; T313-F316 PolarHBondContact O-N 3.37Å; T313-G317 PolarHBondContact O-N 3.3Å |
| 314 | L | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.7 | -63.6 | 165.9 | 0 | 0 | 0 | 112.2 | I37 I39 F44 F46 I298 T310 K311 F316 G317 M318 | I37-L314 HydrophobicContact CD1-CD1 4.49Å; I37-L314 HydrophobicContact CD1-CD2 4.16Å; I37-L314 HydrophobicContact CG2-CD2 3.8Å; I39-L314 HydrophobicContact CG2-CD1 3.66Å; F44-L314 HydrophobicContact CD1-CB 3.49Å; F44-L314 VanDerWaalsContact CD1-CB 3.49Å; F44-L314 HydrophobicContact CD2-CB 4.38Å; F44-L314 HydrophobicContact CD2-CD1 4.09Å; F44-L314 HydrophobicContact CE1-CB 3.61Å; F44-L314 HydrophobicContact CE2-CD1 4.16Å; F44-L314 HydrophobicContact CG-CB 3.92Å; F44-L314 HydrophobicContact CG-CD1 4.36Å; F44-L314 HydrophobicContact CZ-CB 4.14Å; F44-L314 HydrophobicContact CZ-CD1 4.46Å; F46-L314 HydrophobicContact CE2-CD2 3.63Å; F46-L314 HydrophobicContact CZ-CB 4.33Å; F46-L314 HydrophobicContact CZ-CD2 3.89Å; I298-L314 HydrophobicContact CD1-CD2 4.07Å; T310-L314 HydrophobicContact CG2-CD1 3.8Å; T310-L314 HydrophobicContact CG2-CG 4.34Å; T310-L314 WeakPolarHBondContact O-CG 3.48Å; T310-L314 PolarHBondContact O-N 3.39Å; K311-L314 PolarHBondContact O-N 3.05Å; L314-F316 VanDerWaalsContact C-N 3.28Å; L314-F316 PolarHBondContact O-N 3.45Å; L314-G317 PolarHBondContact O-N 3.02Å; L314-M318 PolarHBondContact O-N 2.8Å |
| 315 | M | 94.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 43.8 Ų | 43.8 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -32.7 | 173 | -71.6 | -65.4 | -58.9 | 0 | 0 | 112.5 | F44 K311 S312 R319 | F44-M315 HydrophobicContact CE1-CG 3.94Å; F44-M315 HydrophobicContact CE1-SD 3.72Å; F44-M315 HydrophobicContact CZ-SD 4.43Å; K311-M315 WeakPolarHBondContact O-CB 3.43Å; K311-M315 VanDerWaalsContact O-CG 3.28Å; K311-M315 WeakPolarHBondContact O-CG 3.25Å; K311-M315 PolarHBondContact O-N 2.89Å; S312-M315 PolarHBondContact O-N 3Å; M315-R319 PolarHBondContact O-N 2.79Å |
| 316 | F | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -48.1 | 175.3 | -176 | -83 | 0 | 0 | 0 | 111.4 | Y82 L259 I263 M296 S312 T313 L314 M318 R319 A320 | Y82-F316 HydrophobicContact CD1-CB 4.47Å; Y82-F316 AromaticContact CD1-CD1 3.43Å; Y82-F316 HydrophobicContact CD1-CD1 3.43Å; Y82-F316 VanDerWaalsContact CD1-CD1 3.43Å; Y82-F316 AromaticContact CD1-CE1 3.65Å; Y82-F316 HydrophobicContact CD1-CE1 3.65Å; Y82-F316 HydrophobicContact CD1-CG 4.02Å; Y82-F316 HydrophobicContact CD1-CZ 4.41Å; Y82-F316 HydrophobicContact CD2-CD1 4.47Å; Y82-F316 AromaticContact CD2-CE1 3.89Å; Y82-F316 HydrophobicContact CD2-CE1 3.89Å; Y82-F316 HydrophobicContact CD2-CZ 4.02Å; Y82-F316 HydrophobicContact CE1-CB 3.71Å; Y82-F316 AromaticContact CE1-CD1 3.29Å; Y82-F316 HydrophobicContact CE1-CD1 3.29Å; Y82-F316 AromaticContact CE1-CD2 3.85Å; Y82-F316 HydrophobicContact CE1-CD2 3.85Å; Y82-F316 AromaticContact CE1-CE1 3.7Å; Y82-F316 HydrophobicContact CE1-CE1 3.7Å; Y82-F316 HydrophobicContact CE1-CE2 4.24Å; Y82-F316 AromaticContact CE1-CG 3.37Å; Y82-F316 HydrophobicContact CE1-CG 3.37Å; Y82-F316 HydrophobicContact CE1-CZ 4.16Å; Y82-F316 HydrophobicContact CE2-CD1 4.35Å; Y82-F316 HydrophobicContact CE2-CD2 4.34Å; Y82-F316 AromaticContact CE2-CE1 3.92Å; Y82-F316 HydrophobicContact CE2-CE1 3.92Å; Y82-F316 AromaticContact CE2-CE2 3.96Å; Y82-F316 HydrophobicContact CE2-CE2 3.96Å; Y82-F316 AromaticContact CE2-CZ 3.73Å; Y82-F316 HydrophobicContact CE2-CZ 3.73Å; Y82-F316 HydrophobicContact CG-CD1 4.04Å; Y82-F316 AromaticContact CG-CE1 3.74Å; Y82-F316 HydrophobicContact CG-CE1 3.74Å; Y82-F316 HydrophobicContact CG-CZ 4.35Å; Y82-F316 AromaticContact CZ-CD1 3.78Å; Y82-F316 AromaticContact CZ-CD2 3.61Å; Y82-F316 AromaticContact CZ-CE1 3.82Å; Y82-F316 AromaticContact CZ-CE2 3.7Å; Y82-F316 AromaticContact CZ-CG 3.67Å; Y82-F316 AromaticContact CZ-CZ 3.79Å; Y82-F316 WeakPolarHBondContact OH-CD2 3.44Å; L259-F316 HydrophobicContact CD2-CZ 3.9Å; L259-F316 HydrophobicContact CG-CZ 3.98Å; I263-F316 HydrophobicContact CD1-CD1 4.45Å; I263-F316 HydrophobicContact CD1-CE1 3.75Å; I263-F316 HydrophobicContact CD1-CE2 3.8Å; I263-F316 HydrophobicContact CD1-CZ 3.36Å; M296-F316 HydrophobicContact CE-CD1 3.93Å; M296-F316 HydrophobicContact CE-CE1 3.44Å; M296-F316 VanDerWaalsContact CE-CE1 3.44Å; M296-F316 HydrophobicContact CE-CZ 4.48Å; M296-F316 HydrophobicContact SD-CD1 3.95Å; M296-F316 HydrophobicContact SD-CE1 4Å; S312-F316 WeakPolarHBondContact O-CB 3.43Å; S312-F316 PolarHBondContact O-N 3.39Å; T313-F316 WeakPolarHBondContact O-CB 3.49Å; T313-F316 PolarHBondContact O-N 3.37Å; L314-F316 VanDerWaalsContact C-N 3.28Å; L314-F316 PolarHBondContact O-N 3.45Å; F316-M318 PolarHBondContact O-N 2.96Å; F316-R319 PolarHBondContact O-N 3.2Å; F316-A320 PolarHBondContact O-N 3.25Å; F316-A320 VanDerWaalsContact O-N 3.08Å |
| 317 | G | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T313 L314 R319 A320 K321 | T313-G317 PolarHBondContact O-N 3.3Å; L314-G317 PolarHBondContact O-N 3.02Å; G317-R319 VanDerWaalsContact C-N 3.32Å; G317-R319 PolarHBondContact O-N 3.38Å; G317-A320 PolarHBondContact O-N 2.92Å; G317-K321 PolarHBondContact O-N 2.98Å |
| 318 | M | 94.4 | Very high | 93.4 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 177.2 | -82.3 | -168.1 | 68.1 | 0 | 0 | 113 | F44 F46 L314 F316 | F44-M318 HydrophobicContact CB-SD 4Å; F44-M318 HydrophobicContact CD1-CG 4.16Å; F44-M318 HydrophobicContact CD1-SD 3.46Å; F44-M318 WeakPolarHBondContact CD1-SD 3.46Å; F44-M318 HydrophobicContact CE1-SD 4.34Å; F44-M318 HydrophobicContact CG-SD 4.08Å; F46-M318 HydrophobicContact CE1-CG 4.04Å; F46-M318 HydrophobicContact CZ-CG 3.99Å; L314-M318 PolarHBondContact O-N 2.8Å; F316-M318 PolarHBondContact O-N 2.96Å |
| 319 | R | 94.6 | Very high | 93.5 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 24% | 0.242 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -49.7 | 173.3 | -69.3 | -178.3 | -62.3 | 122.3 | 7 | 110.9 | G260 I263 N264 V267 M315 F316 G317 K321 T322 | G260-R319 PolarHBondContact O-NH1 2.73Å; I263-R319 HydrophobicContact CG2-CB 3.72Å; N264-R319 WeakPolarHBondContact OD1-CD 3.5Å; N264-R319 PolarHBondContact OD1-NH1 2.96Å; V267-R319 HydrophobicContact CG2-CB 4.41Å; V267-R319 VanDerWaalsContact CG2-O 3.25Å; V267-R319 WeakPolarHBondContact CG2-O 3.37Å; M315-R319 PolarHBondContact O-N 2.79Å; F316-R319 PolarHBondContact O-N 3.2Å; G317-R319 VanDerWaalsContact C-N 3.32Å; G317-R319 PolarHBondContact O-N 3.38Å; R319-K321 VanDerWaalsContact C-N 3.26Å; R319-K321 PolarHBondContact O-N 3.18Å; R319-T322 PolarHBondContact O-N 2.83Å; R319-T322 PolarHBondContact O-OG1 3.49Å |
| 320 | A | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.7 | -36.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I263 M296 F316 G317 T322 I323 | I263-A320 HydrophobicContact CD1-CB 4.45Å; M296-A320 HydrophobicContact CE-CB 3.23Å; M296-A320 HydrophobicContact SD-CB 3.75Å; F316-A320 PolarHBondContact O-N 3.25Å; F316-A320 VanDerWaalsContact O-N 3.08Å; G317-A320 PolarHBondContact O-N 2.92Å; A320-T322 PolarHBondContact O-N 3.15Å; A320-T322 VanDerWaalsContact O-N 3.12Å; A320-I323 WeakPolarHBondContact O-CB 3.22Å; A320-I323 PolarHBondContact O-N 2.86Å |
| 321 | K | 94.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26 | 176.2 | -175.6 | 164.2 | 179.2 | 156 | 0 | 114.2 | V7 F46 D47 G317 R319 | V7-K321 HydrophobicContact CB-CB 4.29Å; V7-K321 HydrophobicContact CG2-CB 3.63Å; V7-K321 HydrophobicContact CG2-CG 4.34Å; F46-K321 VanDerWaalsContact C-NZ 3.31Å; D47-K321 VanDerWaalsContact OD1-CE 3.26Å; D47-K321 WeakPolarHBondContact OD1-CE 3.16Å; D47-K321 IonicContact OD1-NZ 3.46Å; D47-K321 PolarHBondContact OD1-NZ 3.17Å; D47-K321 WeakPolarHBondContact OD2-CD 3.44Å; D47-K321 WeakPolarHBondContact OD2-CE 3.27Å; D47-K321 IonicContact OD2-NZ 3.55Å; D47-K321 PolarHBondContact OD2-NZ 2.86Å; G317-K321 PolarHBondContact O-N 2.98Å; R319-K321 VanDerWaalsContact C-N 3.26Å; R319-K321 PolarHBondContact O-N 3.18Å |
| 322 | T | 92.3 | Very high | 92.2 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8.7 | 180 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | V267 R319 A320 | V267-T322 WeakPolarHBondContact CG1-OG1 3.33Å; V267-T322 VanDerWaalsContact CG2-OG1 3.27Å; V267-T322 WeakPolarHBondContact CG2-OG1 3.43Å; R319-T322 PolarHBondContact O-N 2.83Å; R319-T322 PolarHBondContact O-OG1 3.49Å; A320-T322 PolarHBondContact O-N 3.15Å; A320-T322 VanDerWaalsContact O-N 3.12Å |
| 323 | I | 93.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | trans | -70.8 | 137.7 | 172.8 | -59.2 | 175 | 0 | 0 | 0 | 109.5 | S4 I5 I263 L266 V267 A320 | S4-I323 VanDerWaalsContact CA-O 3.31Å; S4-I323 WeakPolarHBondContact CA-O 3.2Å; I5-I323 HydrophobicContact CD1-CB 3.82Å; I5-I323 HydrophobicContact CD1-CD1 4.24Å; I5-I323 HydrophobicContact CD1-CG2 3.8Å; I5-I323 HydrophobicContact CG1-CB 4.17Å; I5-I323 HydrophobicContact CG1-CG2 4.26Å; I5-I323 PolarHBondContact N-O 2.8Å; I263-I323 HydrophobicContact CB-CD1 4.19Å; I263-I323 HydrophobicContact CG1-CD1 3.87Å; I263-I323 HydrophobicContact CG2-CD1 4.1Å; L266-I323 HydrophobicContact CB-CD1 4.02Å; L266-I323 HydrophobicContact CB-CG1 3.94Å; L266-I323 HydrophobicContact CB-CG2 4.33Å; L266-I323 HydrophobicContact CD1-CD1 3.98Å; L266-I323 HydrophobicContact CD1-CG2 4.17Å; V267-I323 HydrophobicContact CG2-CG1 3.86Å; A320-I323 WeakPolarHBondContact O-CB 3.22Å; A320-I323 PolarHBondContact O-N 2.86Å | ||
| 324 | K | 91.5 | Very high | 90 | Very high | 144 Ų | 144 | 49.2 Ų | 49.2 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.6 | 175.2 | -61.9 | 179.3 | -177 | 178 | 0 | 110.8 | E3 | E3-K324 CarbonylContact O-C 3.56Å; E3-K324 VanDerWaalsContact O-CA 3.31Å; E3-K324 WeakPolarHBondContact O-CA 3.4Å |
| 325 | N | 92.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 153.9 | 172.9 | -68.4 | 8.7 | 0 | 0 | 0 | 109.5 | S2 E3 S287 G289 G290 A292 T294 V327 | S2-N325 WeakPolarHBondContact CA-O 3.38Å; E3-N325 PolarHBondContact N-O 3.26Å; E3-N325 PolarHBondContact O-N 2.87Å; S287-N325 PolarHBondContact O-ND2 2.92Å; G289-N325 WeakPolarHBondContact CA-OD1 3.27Å; G289-N325 PolarHBondContact N-OD1 2.92Å; G290-N325 WeakPolarHBondContact O-CB 3.38Å; A292-N325 PolarHBondContact O-ND2 2.87Å; T294-N325 PolarHBondContact OG1-ND2 3.22Å; N325-V327 HydrophobicContact CB-CG2 4.36Å |
| 326 | L | 92.1 | Very high | 87.6 | Confident | 108 Ų | 108 | 52 Ų | 52 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 89.6 | 175.1 | -177.2 | 62.8 | 0 | 0 | 0 | 109 | G290 N291 | G290-L326 PolarHBondContact O-N 2.86Å; N291-L326 WeakPolarHBondContact CA-O 3.36Å |
| 327 | V | 91.2 | Very high | 86.5 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | trans | -80.9 | 127.4 | -172.1 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | M1 E3 Y75 N291 R293 N325 | M1-V327 PolarHBondContact N-O 2.93Å; M1-V327 PolarHBondContact O-N 2.88Å; E3-V327 HydrophobicContact CB-CG2 4.44Å; Y75-V327 HydrophobicContact CD1-CG1 3.46Å; Y75-V327 VanDerWaalsContact CD1-CG1 3.46Å; Y75-V327 HydrophobicContact CE1-CG1 3.79Å; Y75-V327 HydrophobicContact CG-CG1 4.32Å; N291-V327 WeakPolarHBondContact OD1-CA 3.36Å; R293-V327 HydrophobicContact CG-CB 4.46Å; R293-V327 HydrophobicContact CG-CG1 3.63Å; R293-V327 HydrophobicContact CG-CG2 3.99Å; N325-V327 HydrophobicContact CB-CG2 4.36Å | ||
| 328 | T | 90.2 | Very high | 85.7 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | trans | -139.1 | 144.6 | 179.6 | 45.8 | 0 | 0 | 0 | 0 | 111 | N291 | N291-T328 PolarHBondContact ND2-O 3.03Å; N291-T328 VanDerWaalsContact ND2-O 3.1Å; N291-T328 PolarHBondContact ND2-OG1 2.89Å; N291-T328 PolarHBondContact OD1-N 3.08Å; N291-T328 PolarHBondContact OD1-O 2.88Å; N291-T328 PolarHBondContact OD1-OG1 2.78Å | ||
| 329 | V | 92.1 | Very high | 84.8 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | trans | -69.3 | 132 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | Y75 L221 E331 | Y75-V329 HydrophobicContact CD1-CG2 4.03Å; Y75-V329 HydrophobicContact CE1-CB 4.35Å; Y75-V329 HydrophobicContact CE1-CG2 3.4Å; Y75-V329 VanDerWaalsContact CE1-CG2 3.4Å; Y75-V329 HydrophobicContact CE2-CG2 3.96Å; L221-V329 HydrophobicContact CD2-CG1 3.69Å; V329-E331 HydrophobicContact CG1-CB 4.28Å; V329-E331 PolarHBondContact O-N 2.95Å | ||
| 330 | N | 88.5 | Confident | 83.9 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 21% | 0.214 | 34% | 0.335 | C | S | . | . | trans | -85.3 | 83.4 | 170.8 | -48.2 | -50.8 | 0 | 0 | 0 | 108.8 | G74 N76 H222 N291 | G74-N330 PolarHBondContact O-N 3.38Å; G74-N330 PolarHBondContact O-ND2 2.87Å; N76-N330 PolarHBondContact OD1-ND2 2.88Å; H222-N330 HydrophobicContact CB-CB 4.12Å; H222-N330 PolarHBondContact N-O 3.05Å; H222-N330 VanDerWaalsContact N-O 3.15Å; H222-N330 WeakPolarHBondContact O-CB 3.4Å; H222-N330 PolarHBondContact O-ND2 3.06Å; N291-N330 PolarHBondContact ND2-OD1 3.23Å | ||
| 331 | E | 85.1 | Confident | 83 | Confident | 61 Ų | 61 | 73.6 Ų | 73.6 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.8 | 174.7 | 53 | 174.9 | -156.8 | 0 | 0 | 112.2 | K219 L221 V329 L333 R341 | K219-E331 WeakPolarHBondContact CE-OE2 3.38Å; K219-E331 IonicContact NZ-OE2 3.23Å; K219-E331 PolarHBondContact NZ-OE2 3.17Å; L221-E331 HydrophobicContact CD2-CB 3.8Å; V329-E331 HydrophobicContact CG1-CB 4.28Å; V329-E331 PolarHBondContact O-N 2.95Å; E331-L333 HydrophobicContact CB-CD1 4.47Å; E331-L333 HydrophobicContact CG-CD1 3.96Å; E331-L333 PolarHBondContact O-N 3.15Å; E331-R341 IonicContact OE1-CZ 3.91Å; E331-R341 IonicContact OE1-NH1 3.78Å; E331-R341 PolarHBondContact OE1-NH1 3.05Å; E331-R341 IonicContact OE1-NH2 2.97Å; E331-R341 PolarHBondContact OE1-NH2 3.35Å |
| 332 | E | 80.5 | Confident | 82.3 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 43% | 0.425 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 97.4 | 168.2 | -77.6 | -179.8 | -143.4 | 0 | 0 | 107.6 | R211 K220 | R211-E332 IonicContact CZ-OE1 2.92Å; R211-E332 IonicContact NH2-OE1 2.72Å; R211-E332 PolarHBondContact NH2-OE1 3.4Å; K220-E332 HydrophobicContact CB-CB 3.84Å; K220-E332 PolarHBondContact N-O 2.77Å; K220-E332 VanDerWaalsContact N-O 3.17Å; K220-E332 PolarHBondContact O-N 2.86Å |
| 333 | L | 72.7 | Confident | 82 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | trans | -81.4 | 147.6 | 176.9 | -59.4 | 103.4 | 0 | 0 | 0 | 112 | E331 E337 W338 R341 | E331-L333 HydrophobicContact CB-CD1 4.47Å; E331-L333 HydrophobicContact CG-CD1 3.96Å; E331-L333 PolarHBondContact O-N 3.15Å; L333-E337 HydrophobicContact CB-CB 4.11Å; L333-E337 HydrophobicContact CD2-CB 4.09Å; L333-W338 HydrophobicContact CB-CG 4.42Å; L333-W338 HydrophobicContact CD1-CH2 4.42Å; L333-W338 HydrophobicContact CD1-CZ2 3.89Å; L333-W338 VanDerWaalsContact O-CD1 3.26Å; L333-W338 PolarHBondContact O-NE1 3.2Å; L333-R341 VanDerWaalsContact CD1-NH1 3.26Å; L333-R341 VanDerWaalsContact CD2-NH1 3.31Å | ||
| 334 | T | 70.4 | Confident | 81.3 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | trans | -65.7 | 159.7 | 173.8 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | Q218 D336 E337 W338 | Q218-T334 HydrophobicContact CB-CG2 3.48Å; Q218-T334 VanDerWaalsContact CB-CG2 3.48Å; Q218-T334 VanDerWaalsContact O-CG2 3.26Å; Q218-T334 WeakPolarHBondContact O-CG2 3.5Å; T334-D336 PolarHBondContact O-N 2.94Å; T334-E337 WeakPolarHBondContact CB-OE2 3.41Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.43Å; T334-E337 PolarHBondContact N-OE2 3.21Å; T334-E337 PolarHBondContact O-N 3.24Å; T334-E337 WeakPolarHBondContact OG1-CB 3.38Å; T334-E337 WeakPolarHBondContact OG1-CG 3.33Å; T334-E337 PolarHBondContact OG1-N 2.92Å; T334-E337 PolarHBondContact OG1-OE2 2.78Å; T334-W338 VanDerWaalsContact O-CD1 3.25Å; T334-W338 PolarHBondContact O-N 3.44Å | ||
| 335 | A | 71.3 | Confident | 81.1 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.1 | -31.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R339 | A335-R339 WeakPolarHBondContact O-CB 3.5Å; A335-R339 PolarHBondContact O-N 2.86Å |
| 336 | D | 69 | Low | 80.8 | Confident | 85 Ų | 85 | 87.2 Ų | 87.2 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -86.2 | -25.1 | 177.7 | -72.9 | -38.7 | 0 | 0 | 0 | 113.6 | T334 R339 R340 | T334-D336 PolarHBondContact O-N 2.94Å; D336-R339 WeakPolarHBondContact O-CB 3.46Å; D336-R339 PolarHBondContact O-N 3.5Å; D336-R339 IonicContact OD1-CZ 2.71Å; D336-R339 VanDerWaalsContact OD1-CZ 3.24Å; D336-R339 IonicContact OD1-NE 3.38Å; D336-R339 PolarHBondContact OD1-NE 2.86Å; D336-R339 IonicContact OD1-NH2 2.71Å; D336-R339 PolarHBondContact OD1-NH2 3.43Å; D336-R340 WeakPolarHBondContact O-CB 3.46Å; D336-R340 VanDerWaalsContact O-CG 3.22Å; D336-R340 WeakPolarHBondContact O-CG 3.46Å; D336-R340 PolarHBondContact O-N 3.21Å |
| 337 | E | 71.3 | Confident | 80.5 | Confident | 34 Ų | 34 | 85.6 Ų | 85.6 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70 | -40.1 | 163.5 | -74.4 | 170.1 | 110.2 | 0 | 0 | 111.9 | L333 T334 R339 R340 R341 | L333-E337 HydrophobicContact CB-CB 4.11Å; L333-E337 HydrophobicContact CD2-CB 4.09Å; T334-E337 WeakPolarHBondContact CB-OE2 3.41Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.43Å; T334-E337 PolarHBondContact N-OE2 3.21Å; T334-E337 PolarHBondContact O-N 3.24Å; T334-E337 WeakPolarHBondContact OG1-CB 3.38Å; T334-E337 WeakPolarHBondContact OG1-CG 3.33Å; T334-E337 PolarHBondContact OG1-N 2.92Å; T334-E337 PolarHBondContact OG1-OE2 2.78Å; E337-R339 VanDerWaalsContact C-N 3.29Å; E337-R339 PolarHBondContact O-N 3.31Å; E337-R340 PolarHBondContact O-N 3.14Å; E337-R341 VanDerWaalsContact O-CB 3.24Å; E337-R341 WeakPolarHBondContact O-CB 3.22Å; E337-R341 PolarHBondContact O-N 3.16Å |
| 338 | W | 77.3 | Confident | 80.1 | Confident | 147 Ų | 147 | 87.7 Ų | 87.7 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.8 | -44.6 | 168.8 | -83.7 | 114 | 0 | 0 | 0 | 110.8 | L333 T334 R341 Y342 | L333-W338 HydrophobicContact CB-CG 4.42Å; L333-W338 HydrophobicContact CD1-CH2 4.42Å; L333-W338 HydrophobicContact CD1-CZ2 3.89Å; L333-W338 VanDerWaalsContact O-CD1 3.26Å; L333-W338 PolarHBondContact O-NE1 3.2Å; T334-W338 VanDerWaalsContact O-CD1 3.25Å; T334-W338 PolarHBondContact O-N 3.44Å; W338-R341 PolarHBondContact O-N 3.32Å; W338-Y342 WeakPolarHBondContact O-CB 3.44Å; W338-Y342 PolarHBondContact O-N 2.97Å |
| 339 | R | 74.9 | Confident | 79.9 | Confident | 152 Ų | 152 | 87.3 Ų | 87.3 | 57% | 0.574 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.6 | -47.5 | 173.4 | -165.6 | -165.3 | -49.5 | -77 | -2.4 | 112.3 | A335 D336 E337 Y342 E343 | A335-R339 WeakPolarHBondContact O-CB 3.5Å; A335-R339 PolarHBondContact O-N 2.86Å; D336-R339 WeakPolarHBondContact O-CB 3.46Å; D336-R339 PolarHBondContact O-N 3.5Å; D336-R339 IonicContact OD1-CZ 2.71Å; D336-R339 VanDerWaalsContact OD1-CZ 3.24Å; D336-R339 IonicContact OD1-NE 3.38Å; D336-R339 PolarHBondContact OD1-NE 2.86Å; D336-R339 IonicContact OD1-NH2 2.71Å; D336-R339 PolarHBondContact OD1-NH2 3.43Å; E337-R339 VanDerWaalsContact C-N 3.29Å; E337-R339 PolarHBondContact O-N 3.31Å; R339-Y342 PolarHBondContact O-N 2.81Å; R339-E343 WeakPolarHBondContact O-CB 3.3Å; R339-E343 WeakPolarHBondContact O-CG 3.47Å; R339-E343 PolarHBondContact O-N 2.67Å |
| 340 | R | 76.5 | Confident | 79.7 | Confident | 170 Ų | 170 | 91.5 Ų | 91.5 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 178.1 | -74.1 | 165.8 | 178.1 | 161.5 | -0.7 | 112.4 | D336 E337 R344 | D336-R340 WeakPolarHBondContact O-CB 3.46Å; D336-R340 VanDerWaalsContact O-CG 3.22Å; D336-R340 WeakPolarHBondContact O-CG 3.46Å; D336-R340 PolarHBondContact O-N 3.21Å; E337-R340 PolarHBondContact O-N 3.14Å; R340-R344 VanDerWaalsContact O-CB 3.3Å; R340-R344 WeakPolarHBondContact O-CB 3.31Å; R340-R344 PolarHBondContact O-N 3.4Å |
| 341 | R | 75.8 | Confident | 79.6 | Confident | 104 Ų | 104 | 92.2 Ų | 92.2 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 177.8 | -160.2 | 177.2 | -162.7 | 160.3 | 5 | 110.3 | E331 L333 E337 W338 R344 E345 | E331-R341 IonicContact OE1-CZ 3.91Å; E331-R341 IonicContact OE1-NH1 3.78Å; E331-R341 PolarHBondContact OE1-NH1 3.05Å; E331-R341 IonicContact OE1-NH2 2.97Å; E331-R341 PolarHBondContact OE1-NH2 3.35Å; L333-R341 VanDerWaalsContact CD1-NH1 3.26Å; L333-R341 VanDerWaalsContact CD2-NH1 3.31Å; E337-R341 VanDerWaalsContact O-CB 3.24Å; E337-R341 WeakPolarHBondContact O-CB 3.22Å; E337-R341 PolarHBondContact O-N 3.16Å; W338-R341 PolarHBondContact O-N 3.32Å; R341-R344 PolarHBondContact O-N 2.84Å; R341-E345 WeakPolarHBondContact O-CB 3.5Å; R341-E345 PolarHBondContact O-N 2.89Å |
| 342 | Y | 80.4 | Confident | 79.8 | Confident | 150 Ų | 150 | 92.2 Ų | 92.2 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.8 | -50.4 | 173.4 | 176.3 | -103.1 | 0 | 0 | 0 | 112.4 | W338 R339 R344 E345 K346 | W338-Y342 WeakPolarHBondContact O-CB 3.44Å; W338-Y342 PolarHBondContact O-N 2.97Å; R339-Y342 PolarHBondContact O-N 2.81Å; Y342-R344 VanDerWaalsContact C-N 3.33Å; Y342-R344 PolarHBondContact O-N 2.97Å; Y342-E345 PolarHBondContact O-N 2.99Å; Y342-K346 HydrophobicContact CD1-CD 4.46Å; Y342-K346 HydrophobicContact CE1-CD 3.88Å; Y342-K346 WeakPolarHBondContact O-CB 3.42Å; Y342-K346 PolarHBondContact O-N 3.32Å |
| 343 | E | 84.1 | Confident | 80.2 | Confident | 86 Ų | 86 | 93.7 Ų | 93.7 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.5 | -36.5 | 178 | -70.9 | -63.5 | 144.9 | 0 | 0 | 112.1 | R339 K346 E347 | R339-E343 WeakPolarHBondContact O-CB 3.3Å; R339-E343 WeakPolarHBondContact O-CG 3.47Å; R339-E343 PolarHBondContact O-N 2.67Å; E343-K346 IonicContact OE1-NZ 3.48Å; E343-K346 PolarHBondContact OE1-NZ 3.27Å; E343-K346 IonicContact OE2-NZ 3.33Å; E343-K346 PolarHBondContact OE2-NZ 3.49Å; E343-E347 PolarHBondContact O-N 3.37Å |
| 344 | R | 80.3 | Confident | 80.9 | Confident | 140 Ų | 140 | 97.1 Ų | 97.1 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 172.2 | -171.1 | -173.2 | -61.9 | 105.9 | -3.6 | 111.9 | R340 R341 Y342 K346 E347 K348 | R340-R344 VanDerWaalsContact O-CB 3.3Å; R340-R344 WeakPolarHBondContact O-CB 3.31Å; R340-R344 PolarHBondContact O-N 3.4Å; R341-R344 PolarHBondContact O-N 2.84Å; Y342-R344 VanDerWaalsContact C-N 3.33Å; Y342-R344 PolarHBondContact O-N 2.97Å; R344-K346 VanDerWaalsContact C-N 3.34Å; R344-E347 PolarHBondContact O-N 3.09Å; R344-K348 WeakPolarHBondContact O-CB 3.31Å; R344-K348 PolarHBondContact O-N 2.91Å |
| 345 | E | 86.4 | Confident | 81.7 | Confident | 99 Ų | 99 | 96.1 Ų | 96.1 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | -179.5 | -158.4 | 62 | -135.6 | 0 | 0 | 111.7 | R341 Y342 K348 V349 | R341-E345 WeakPolarHBondContact O-CB 3.5Å; R341-E345 PolarHBondContact O-N 2.89Å; Y342-E345 PolarHBondContact O-N 2.99Å; E345-K348 WeakPolarHBondContact O-CB 3.38Å; E345-K348 PolarHBondContact O-N 3.02Å; E345-V349 WeakPolarHBondContact O-CB 3.29Å; E345-V349 VanDerWaalsContact O-CG2 3.27Å; E345-V349 WeakPolarHBondContact O-CG2 3.39Å; E345-V349 PolarHBondContact O-N 3.42Å |
| 346 | K | 87.6 | Confident | 82.5 | Confident | 99 Ų | 99 | 96 Ų | 96 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 173.8 | 173.9 | -176.8 | 164.3 | -147.2 | 0 | 112.2 | Y342 E343 R344 R350 | Y342-K346 HydrophobicContact CD1-CD 4.46Å; Y342-K346 HydrophobicContact CE1-CD 3.88Å; Y342-K346 WeakPolarHBondContact O-CB 3.42Å; Y342-K346 PolarHBondContact O-N 3.32Å; E343-K346 IonicContact OE1-NZ 3.48Å; E343-K346 PolarHBondContact OE1-NZ 3.27Å; E343-K346 IonicContact OE2-NZ 3.33Å; E343-K346 PolarHBondContact OE2-NZ 3.49Å; R344-K346 VanDerWaalsContact C-N 3.34Å; K346-R350 WeakPolarHBondContact O-CB 3.43Å; K346-R350 PolarHBondContact O-N 2.97Å |
| 347 | E | 85 | Confident | 83.5 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70 | -35.6 | 173.1 | -173.6 | 56 | -143.3 | 0 | 0 | 111.1 | E343 R344 R350 R351 | E343-E347 PolarHBondContact O-N 3.37Å; R344-E347 PolarHBondContact O-N 3.09Å; E347-R350 CarbonylContact O-C 3.49Å; E347-R350 WeakPolarHBondContact O-CB 3.49Å; E347-R350 PolarHBondContact O-N 3.03Å; E347-R350 IonicContact OE1-NH1 3.18Å; E347-R350 WeakPolarHBondContact OE2-CD 3.47Å; E347-R350 IonicContact OE2-CZ 2.65Å; E347-R350 IonicContact OE2-NH1 3.05Å; E347-R350 PolarHBondContact OE2-NH1 3.02Å; E347-R351 WeakPolarHBondContact O-CG 3.43Å; E347-R351 PolarHBondContact O-N 2.98Å |
| 348 | K | 83.8 | Confident | 84.2 | Confident | 49 Ų | 49 | 97.9 Ų | 97.9 | 21% | 0.213 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 172.4 | -169.9 | 169.9 | -167.3 | 143.8 | 0 | 112.6 | R344 E345 R350 R351 L352 D389 | R344-K348 WeakPolarHBondContact O-CB 3.31Å; R344-K348 PolarHBondContact O-N 2.91Å; E345-K348 WeakPolarHBondContact O-CB 3.38Å; E345-K348 PolarHBondContact O-N 3.02Å; K348-R350 VanDerWaalsContact C-N 3.31Å; K348-R350 PolarHBondContact O-N 2.98Å; K348-R351 PolarHBondContact O-N 3.31Å; K348-L352 HydrophobicContact CG-CD1 4.42Å; K348-L352 WeakPolarHBondContact O-CB 3.36Å; K348-L352 WeakPolarHBondContact O-CG 3.42Å; K348-L352 PolarHBondContact O-N 2.57Å; K348-D389 IonicContact NZ-OD2 2.67Å; K348-D389 PolarHBondContact NZ-OD2 3.26Å |
| 349 | V | 84.9 | Confident | 84.8 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 171.8 | 164.7 | 0 | 0 | 0 | 0 | 110.6 | E345 L352 Q353 | E345-V349 WeakPolarHBondContact O-CB 3.29Å; E345-V349 VanDerWaalsContact O-CG2 3.27Å; E345-V349 WeakPolarHBondContact O-CG2 3.39Å; E345-V349 PolarHBondContact O-N 3.42Å; V349-L352 PolarHBondContact O-N 3.45Å; V349-Q353 HydrophobicContact CG1-CG 4.36Å; V349-Q353 WeakPolarHBondContact O-CB 3.41Å; V349-Q353 VanDerWaalsContact O-CG 3.26Å; V349-Q353 WeakPolarHBondContact O-CG 3.41Å; V349-Q353 PolarHBondContact O-N 2.74Å |
| 350 | R | 88.7 | Confident | 85.5 | Confident | 138 Ų | 138 | 93.2 Ų | 93.2 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.6 | -172.5 | -165.6 | -176.6 | -173.9 | -0.5 | 112.7 | K346 E347 K348 L352 Q353 N354 | K346-R350 WeakPolarHBondContact O-CB 3.43Å; K346-R350 PolarHBondContact O-N 2.97Å; E347-R350 CarbonylContact O-C 3.49Å; E347-R350 WeakPolarHBondContact O-CB 3.49Å; E347-R350 PolarHBondContact O-N 3.03Å; E347-R350 IonicContact OE1-NH1 3.18Å; E347-R350 WeakPolarHBondContact OE2-CD 3.47Å; E347-R350 IonicContact OE2-CZ 2.65Å; E347-R350 IonicContact OE2-NH1 3.05Å; E347-R350 PolarHBondContact OE2-NH1 3.02Å; K348-R350 VanDerWaalsContact C-N 3.31Å; K348-R350 PolarHBondContact O-N 2.98Å; R350-L352 VanDerWaalsContact C-N 3.33Å; R350-L352 PolarHBondContact O-N 2.73Å; R350-Q353 PolarHBondContact O-N 3.15Å; R350-N354 VanDerWaalsContact O-CG 3.29Å; R350-N354 PolarHBondContact O-N 2.65Å; R350-N354 PolarHBondContact O-ND2 3.1Å |
| 351 | R | 86.2 | Confident | 86 | Confident | 56 Ų | 56 | 88.2 Ų | 88.2 | 21% | 0.211 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 173.2 | -66.2 | -179.4 | -158.3 | 162.5 | 1.1 | 110.3 | E347 K348 N354 I355 A386 D389 D392 | E347-R351 WeakPolarHBondContact O-CG 3.43Å; E347-R351 PolarHBondContact O-N 2.98Å; K348-R351 PolarHBondContact O-N 3.31Å; R351-N354 WeakPolarHBondContact O-CB 3.17Å; R351-N354 PolarHBondContact O-N 3.03Å; R351-I355 WeakPolarHBondContact O-CG1 3.19Å; R351-I355 PolarHBondContact O-N 3.41Å; R351-I355 VanDerWaalsContact O-N 3.1Å; R351-A386 WeakPolarHBondContact CD-O 3.36Å; R351-A386 PolarHBondContact NH1-O 2.97Å; R351-D389 IonicContact CZ-OD1 3.79Å; R351-D389 IonicContact NH1-OD1 3.54Å; R351-D389 PolarHBondContact NH1-OD1 2.64Å; R351-D389 IonicContact NH2-OD1 2.62Å; R351-D392 IonicContact NH2-OD2 2.76Å; R351-D392 PolarHBondContact NH2-OD2 3.09Å; R351-D392 VanDerWaalsContact NH2-OD2 3.09Å |
| 352 | L | 88.3 | Confident | 86.5 | Confident | 61 Ų | 61 | 84.5 Ų | 84.5 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 177.4 | -70.6 | 168.6 | 0 | 0 | 0 | 112.8 | K348 V349 R350 N354 I355 V356 I387 | K348-L352 HydrophobicContact CG-CD1 4.42Å; K348-L352 WeakPolarHBondContact O-CB 3.36Å; K348-L352 WeakPolarHBondContact O-CG 3.42Å; K348-L352 PolarHBondContact O-N 2.57Å; V349-L352 PolarHBondContact O-N 3.45Å; R350-L352 VanDerWaalsContact C-N 3.33Å; R350-L352 PolarHBondContact O-N 2.73Å; L352-N354 VanDerWaalsContact C-N 3.35Å; L352-N354 PolarHBondContact O-N 3.21Å; L352-I355 PolarHBondContact O-N 3.28Å; L352-V356 WeakPolarHBondContact O-CG2 3.38Å; L352-V356 PolarHBondContact O-N 2.64Å; L352-I387 HydrophobicContact CD2-CD1 3.97Å; L352-I387 HydrophobicContact CD2-CG1 4.48Å |
| 353 | Q | 89.1 | Confident | 86.8 | Confident | 122 Ų | 122 | 81.5 Ų | 81.5 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 174.8 | -77.1 | 170.5 | -14 | 0 | 0 | 112.3 | V349 R350 V356 S357 | V349-Q353 HydrophobicContact CG1-CG 4.36Å; V349-Q353 WeakPolarHBondContact O-CB 3.41Å; V349-Q353 VanDerWaalsContact O-CG 3.26Å; V349-Q353 WeakPolarHBondContact O-CG 3.41Å; V349-Q353 PolarHBondContact O-N 2.74Å; R350-Q353 PolarHBondContact O-N 3.15Å; Q353-V356 PolarHBondContact O-N 3.25Å; Q353-S357 VanDerWaalsContact O-CB 3.3Å; Q353-S357 WeakPolarHBondContact O-CB 3.14Å; Q353-S357 PolarHBondContact O-N 3.08Å |
| 354 | N | 87.9 | Confident | 87 | Confident | 100 Ų | 100 | 85 Ų | 85 | 54% | 0.535 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 173.6 | -66.9 | -27.2 | 0 | 0 | 0 | 111.5 | R350 R351 L352 S357 H358 | R350-N354 VanDerWaalsContact O-CG 3.29Å; R350-N354 PolarHBondContact O-N 2.65Å; R350-N354 PolarHBondContact O-ND2 3.1Å; R351-N354 WeakPolarHBondContact O-CB 3.17Å; R351-N354 PolarHBondContact O-N 3.03Å; L352-N354 VanDerWaalsContact C-N 3.35Å; L352-N354 PolarHBondContact O-N 3.21Å; N354-S357 PolarHBondContact O-N 3.2Å; N354-H358 WeakPolarHBondContact O-CB 3.16Å; N354-H358 PolarHBondContact O-N 2.77Å |
| 355 | I | 87.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 82.4 Ų | 82.4 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 176.5 | -67 | 166.9 | 0 | 0 | 0 | 111 | R351 L352 H358 L359 F378 Y383 A386 | R351-I355 WeakPolarHBondContact O-CG1 3.19Å; R351-I355 PolarHBondContact O-N 3.41Å; R351-I355 VanDerWaalsContact O-N 3.1Å; L352-I355 PolarHBondContact O-N 3.28Å; I355-H358 PolarHBondContact O-N 3.05Å; I355-L359 HydrophobicContact CG2-CD1 3.78Å; I355-L359 HydrophobicContact CG2-CG 4.43Å; I355-L359 WeakPolarHBondContact O-CB 3.48Å; I355-L359 WeakPolarHBondContact O-CG 3.35Å; I355-L359 PolarHBondContact O-N 3.05Å; I355-F378 HydrophobicContact CB-CZ 4.22Å; I355-F378 HydrophobicContact CD1-CZ 4.12Å; I355-F378 HydrophobicContact CG1-CE1 4.5Å; I355-F378 HydrophobicContact CG1-CE2 4.26Å; I355-F378 HydrophobicContact CG1-CZ 3.73Å; I355-F378 HydrophobicContact CG2-CD1 4.28Å; I355-F378 HydrophobicContact CG2-CE1 3.51Å; I355-F378 HydrophobicContact CG2-CE2 4.39Å; I355-F378 HydrophobicContact CG2-CZ 3.6Å; I355-Y383 HydrophobicContact CD1-CD2 4.42Å; I355-A386 HydrophobicContact CD1-CB 3.79Å |
| 356 | V | 88.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 83 Ų | 83 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | L352 Q353 H358 L359 E360 | L352-V356 WeakPolarHBondContact O-CG2 3.38Å; L352-V356 PolarHBondContact O-N 2.64Å; Q353-V356 PolarHBondContact O-N 3.25Å; V356-H358 VanDerWaalsContact C-N 3.3Å; V356-H358 PolarHBondContact O-N 2.83Å; V356-L359 PolarHBondContact O-N 2.65Å; V356-E360 HydrophobicContact CG1-CG 4.14Å; V356-E360 WeakPolarHBondContact O-CB 3.44Å; V356-E360 VanDerWaalsContact O-CG 3.3Å; V356-E360 WeakPolarHBondContact O-CG 3.39Å; V356-E360 PolarHBondContact O-N 2.92Å |
| 357 | S | 90 | Very high | 87.4 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -38.4 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 113 | Q353 N354 S361 | Q353-S357 VanDerWaalsContact O-CB 3.3Å; Q353-S357 WeakPolarHBondContact O-CB 3.14Å; Q353-S357 PolarHBondContact O-N 3.08Å; N354-S357 PolarHBondContact O-N 3.2Å; S357-S361 WeakPolarHBondContact O-CB 3.44Å; S357-S361 PolarHBondContact O-N 3.46Å; S357-S361 PolarHBondContact O-OG 3.33Å |
| 358 | H | 86.1 | Confident | 87.6 | Confident | 90 Ų | 90 | 87.7 Ų | 87.7 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69 | -46.8 | 175.9 | -173.2 | 72.5 | 0 | 0 | 0 | 111.9 | N354 I355 V356 S361 E362 F378 | N354-H358 WeakPolarHBondContact O-CB 3.16Å; N354-H358 PolarHBondContact O-N 2.77Å; I355-H358 PolarHBondContact O-N 3.05Å; V356-H358 VanDerWaalsContact C-N 3.3Å; V356-H358 PolarHBondContact O-N 2.83Å; H358-S361 WeakPolarHBondContact O-CB 3.24Å; H358-S361 PolarHBondContact O-N 2.89Å; H358-E362 PolarHBondContact O-N 3.17Å; H358-F378 AromaticContact CD2-CD2 3.59Å |
| 359 | L | 88.5 | Confident | 87.6 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 175.4 | -75 | 169.7 | 0 | 0 | 0 | 112.7 | I355 V356 S361 E362 L363 F378 | I355-L359 HydrophobicContact CG2-CD1 3.78Å; I355-L359 HydrophobicContact CG2-CG 4.43Å; I355-L359 WeakPolarHBondContact O-CB 3.48Å; I355-L359 WeakPolarHBondContact O-CG 3.35Å; I355-L359 PolarHBondContact O-N 3.05Å; V356-L359 PolarHBondContact O-N 2.65Å; L359-S361 VanDerWaalsContact C-N 3.3Å; L359-S361 PolarHBondContact O-N 2.65Å; L359-E362 PolarHBondContact O-N 3.38Å; L359-L363 WeakPolarHBondContact O-CB 2.77Å; L359-L363 PolarHBondContact O-N 3.34Å; L359-F378 HydrophobicContact CD1-CD1 4.23Å; L359-F378 HydrophobicContact CD2-CB 3.72Å; L359-F378 HydrophobicContact CD2-CD1 3.9Å; L359-F378 HydrophobicContact CD2-CG 4.1Å; L359-F378 HydrophobicContact CG-CB 4.41Å; L359-F378 HydrophobicContact CG-CD1 4.11Å; L359-F378 HydrophobicContact CG-CG 4.37Å |
| 360 | E | 89.4 | Confident | 87.7 | Confident | 128 Ų | 128 | 90.4 Ų | 90.4 | 60% | 0.598 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 173.7 | -76 | -179.1 | 161 | 0 | 0 | 111.6 | V356 K364 | V356-E360 HydrophobicContact CG1-CG 4.14Å; V356-E360 WeakPolarHBondContact O-CB 3.44Å; V356-E360 VanDerWaalsContact O-CG 3.3Å; V356-E360 WeakPolarHBondContact O-CG 3.39Å; V356-E360 PolarHBondContact O-N 2.92Å; E360-K364 WeakPolarHBondContact O-CB 3.48Å; E360-K364 PolarHBondContact O-N 3.3Å |
| 361 | S | 87.3 | Confident | 87.3 | Confident | 65 Ų | 65 | 88.5 Ų | 88.5 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 175.2 | -61.4 | 0 | 0 | 0 | 0 | 112 | S357 H358 L359 K364 R365 | S357-S361 WeakPolarHBondContact O-CB 3.44Å; S357-S361 PolarHBondContact O-N 3.46Å; S357-S361 PolarHBondContact O-OG 3.33Å; H358-S361 WeakPolarHBondContact O-CB 3.24Å; H358-S361 PolarHBondContact O-N 2.89Å; L359-S361 VanDerWaalsContact C-N 3.3Å; L359-S361 PolarHBondContact O-N 2.65Å; S361-K364 PolarHBondContact O-N 2.9Å; S361-R365 PolarHBondContact O-N 2.86Å |
| 362 | E | 86.3 | Confident | 87.1 | Confident | 27 Ų | 27 | 86.1 Ų | 86.1 | 13% | 0.126 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 174 | -158.6 | -161.3 | 130.9 | 0 | 0 | 110.9 | H358 L359 K364 R365 W366 V372 F378 | H358-E362 PolarHBondContact O-N 3.17Å; L359-E362 PolarHBondContact O-N 3.38Å; E362-K364 PolarHBondContact O-N 3.48Å; E362-R365 WeakPolarHBondContact O-CB 3.29Å; E362-R365 PolarHBondContact O-N 3.02Å; E362-W366 PolarHBondContact O-N 3.1Å; E362-W366 PolarHBondContact OE1-NE1 3.35Å; E362-V372 HydrophobicContact CG-CB 4.25Å; E362-V372 HydrophobicContact CG-CG1 4.01Å; E362-V372 HydrophobicContact CG-CG2 3.88Å; E362-F378 PolarHBondContact OE2-N 3.1Å |
| 363 | L | 86.3 | Confident | 86.8 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 45% | 0.45 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -28.4 | -179.6 | -167.6 | 150.1 | 0 | 0 | 0 | 112.2 | L359 R367 | L359-L363 WeakPolarHBondContact O-CB 2.77Å; L359-L363 PolarHBondContact O-N 3.34Å; L363-R367 HydrophobicContact CD2-CG 4.27Å; L363-R367 VanDerWaalsContact CD2-NE 3.31Å; L363-R367 WeakPolarHBondContact O-CB 3.25Å; L363-R367 WeakPolarHBondContact O-CG 3.32Å; L363-R367 PolarHBondContact O-N 2.86Å |
| 364 | K | 90.1 | Very high | 86.2 | Confident | 161 Ų | 161 | 87.3 Ų | 87.3 | 70% | 0.7 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | 170.2 | -177 | -179.2 | 176.7 | -174.1 | 0 | 112.6 | E360 S361 E362 R367 G368 | E360-K364 WeakPolarHBondContact O-CB 3.48Å; E360-K364 PolarHBondContact O-N 3.3Å; S361-K364 PolarHBondContact O-N 2.9Å; E362-K364 PolarHBondContact O-N 3.48Å; K364-R367 PolarHBondContact O-N 2.8Å; K364-G368 PolarHBondContact O-N 3.45Å |
| 365 | R | 88.2 | Confident | 85.9 | Confident | 84 Ų | 84 | 87.2 Ų | 87.2 | 32% | 0.317 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -49.4 | 173.7 | -68 | 174.4 | 69 | -162.1 | -0.3 | 110.7 | S361 E362 R367 G368 G369 E370 V372 E376 | S361-R365 PolarHBondContact O-N 2.86Å; E362-R365 WeakPolarHBondContact O-CB 3.29Å; E362-R365 PolarHBondContact O-N 3.02Å; R365-R367 VanDerWaalsContact C-N 3.32Å; R365-R367 PolarHBondContact O-N 3.39Å; R365-G368 WeakPolarHBondContact O-CA 3.43Å; R365-G368 PolarHBondContact O-N 3.31Å; R365-G369 PolarHBondContact O-N 3.25Å; R365-E370 HydrophobicContact CB-CB 4.11Å; R365-E370 IonicContact CZ-OE2 3.29Å; R365-E370 IonicContact NE-OE2 2.76Å; R365-E370 PolarHBondContact NE-OE2 2.79Å; R365-E370 IonicContact NH2-OE2 3.73Å; R365-E370 PolarHBondContact NH2-OE2 3.09Å; R365-E370 WeakPolarHBondContact O-CB 3.01Å; R365-E370 PolarHBondContact O-N 2.89Å; R365-E370 VanDerWaalsContact O-N 3.13Å; R365-V372 HydrophobicContact CB-CG2 3.98Å; R365-E376 IonicContact CZ-OE2 2.67Å; R365-E376 IonicContact NH1-OE2 2.63Å; R365-E376 PolarHBondContact NH1-OE2 2.71Å; R365-E376 IonicContact NH2-OE2 3.86Å; R365-E376 PolarHBondContact NH2-OE2 2.82Å |
| 366 | W | 86.7 | Confident | 85.5 | Confident | 111 Ų | 111 | 90.8 Ų | 90.8 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -54.9 | -43.5 | 173.5 | -72.3 | 115.8 | 0 | 0 | 0 | 112.8 | E362 G368 G369 V372 W377 | E362-W366 PolarHBondContact O-N 3.1Å; E362-W366 PolarHBondContact OE1-NE1 3.35Å; W366-G368 VanDerWaalsContact C-N 3.29Å; W366-G368 PolarHBondContact O-N 2.89Å; W366-G369 PolarHBondContact O-N 2.92Å; W366-V372 HydrophobicContact CD2-CG2 4.35Å; W366-V372 HydrophobicContact CG-CG2 4.49Å; W366-V372 HydrophobicContact CZ2-CB 3.82Å; W366-V372 HydrophobicContact CZ2-CG2 4.38Å; W366-W377 HydrophobicContact CZ2-CZ2 4.27Å; W366-W377 AromaticContact CZ2-NE1 3.62Å |
| 367 | R | 86 | Confident | 85.2 | Confident | 208 Ų | 208 | 92.1 Ų | 92.1 | 79% | 0.785 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.2 | -21.4 | 174.6 | -76.6 | -177.7 | -179.5 | -179.2 | 6 | 114.3 | L363 K364 R365 G369 | L363-R367 HydrophobicContact CD2-CG 4.27Å; L363-R367 VanDerWaalsContact CD2-NE 3.31Å; L363-R367 WeakPolarHBondContact O-CB 3.25Å; L363-R367 WeakPolarHBondContact O-CG 3.32Å; L363-R367 PolarHBondContact O-N 2.86Å; K364-R367 PolarHBondContact O-N 2.8Å; R365-R367 VanDerWaalsContact C-N 3.32Å; R365-R367 PolarHBondContact O-N 3.39Å; R367-G369 VanDerWaalsContact C-N 3.29Å |
| 368 | G | 89.5 | Confident | 84.7 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K364 R365 W366 | K364-G368 PolarHBondContact O-N 3.45Å; R365-G368 WeakPolarHBondContact O-CA 3.43Å; R365-G368 PolarHBondContact O-N 3.31Å; W366-G368 VanDerWaalsContact C-N 3.29Å; W366-G368 PolarHBondContact O-N 2.89Å |
| 369 | G | 85.1 | Confident | 84.5 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 72% | 0.722 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 7.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R365 W366 R367 | R365-G369 PolarHBondContact O-N 3.25Å; W366-G369 PolarHBondContact O-N 2.92Å; R367-G369 VanDerWaalsContact C-N 3.29Å |
| 370 | E | 86.6 | Confident | 84.1 | Confident | 100 Ų | 100 | 92.9 Ų | 92.9 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 147 | 167.4 | -65.2 | 177.5 | -136.3 | 0 | 0 | 110.7 | R365 | R365-E370 HydrophobicContact CB-CB 4.11Å; R365-E370 IonicContact CZ-OE2 3.29Å; R365-E370 IonicContact NE-OE2 2.76Å; R365-E370 PolarHBondContact NE-OE2 2.79Å; R365-E370 IonicContact NH2-OE2 3.73Å; R365-E370 PolarHBondContact NH2-OE2 3.09Å; R365-E370 WeakPolarHBondContact O-CB 3.01Å; R365-E370 PolarHBondContact O-N 2.89Å; R365-E370 VanDerWaalsContact O-N 3.13Å |
| 371 | S | 80.2 | Confident | 83.7 | Confident | 97 Ų | 97 | 92 Ų | 92 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -98.7 | 121 | 166.5 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 372 | V | 81.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 92.9 Ų | 92.9 | 4% | 0.042 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -85 | 133 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | E362 R365 W366 E376 W377 | E362-V372 HydrophobicContact CG-CB 4.25Å; E362-V372 HydrophobicContact CG-CG1 4.01Å; E362-V372 HydrophobicContact CG-CG2 3.88Å; R365-V372 HydrophobicContact CB-CG2 3.98Å; W366-V372 HydrophobicContact CD2-CG2 4.35Å; W366-V372 HydrophobicContact CG-CG2 4.49Å; W366-V372 HydrophobicContact CZ2-CB 3.82Å; W366-V372 HydrophobicContact CZ2-CG2 4.38Å; V372-E376 HydrophobicContact CG1-CB 3.53Å; V372-E376 HydrophobicContact CG1-CG 4.48Å; V372-W377 PolarHBondContact O-NE1 3Å |
| 373 | S | 82.7 | Confident | 83.1 | Confident | 53 Ų | 53 | 96.7 Ų | 96.7 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 149.2 | -177.9 | 77.8 | 0 | 0 | 0 | 0 | 111.7 | A375 E376 W377 | S373-A375 PolarHBondContact O-N 3.02Å; S373-E376 VanDerWaalsContact CB-OE1 3.24Å; S373-E376 WeakPolarHBondContact CB-OE1 3.49Å; S373-E376 PolarHBondContact N-OE1 3.47Å; S373-E376 WeakPolarHBondContact O-CB 3.13Å; S373-E376 PolarHBondContact O-N 3.27Å; S373-E376 PolarHBondContact OG-OE1 3.14Å; S373-W377 PolarHBondContact O-N 3.22Å; S373-W377 PolarHBondContact O-NE1 2.66Å |
| 374 | Q | 76.5 | Confident | 82.8 | Confident | 154 Ų | 154 | 97.6 Ų | 97.6 | 72% | 0.72 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.4 | -177.3 | -163.4 | 175.4 | 10.7 | 0 | 0 | 113.9 | W377 | Q374-W377 HydrophobicContact CB-CD2 4.38Å; Q374-W377 HydrophobicContact CB-CZ2 4.41Å; Q374-W377 HydrophobicContact CG-CD2 4.06Å; Q374-W377 HydrophobicContact CG-CE3 3.9Å; Q374-W377 HydrophobicContact CG-CH2 4.23Å; Q374-W377 HydrophobicContact CG-CZ2 4.36Å; Q374-W377 HydrophobicContact CG-CZ3 3.99Å |
| 375 | A | 79.8 | Confident | 82.3 | Confident | 99 Ų | 99 | 93 Ų | 93 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -18.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S373 | S373-A375 PolarHBondContact O-N 3.02Š|
| 376 | E | 79.9 | Confident | 81.6 | Confident | 88 Ų | 88 | 90.4 Ų | 90.4 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -16.2 | 174.6 | -75.3 | 162 | -98.6 | 0 | 0 | 113.1 | R365 V372 S373 | R365-E376 IonicContact CZ-OE2 2.67Å; R365-E376 IonicContact NH1-OE2 2.63Å; R365-E376 PolarHBondContact NH1-OE2 2.71Å; R365-E376 IonicContact NH2-OE2 3.86Å; R365-E376 PolarHBondContact NH2-OE2 2.82Å; V372-E376 HydrophobicContact CG1-CB 3.53Å; V372-E376 HydrophobicContact CG1-CG 4.48Å; S373-E376 VanDerWaalsContact CB-OE1 3.24Å; S373-E376 WeakPolarHBondContact CB-OE1 3.49Å; S373-E376 PolarHBondContact N-OE1 3.47Å; S373-E376 WeakPolarHBondContact O-CB 3.13Å; S373-E376 PolarHBondContact O-N 3.27Å; S373-E376 PolarHBondContact OG-OE1 3.14Å |
| 377 | W | 81.5 | Confident | 81.2 | Confident | 101 Ų | 101 | 87.3 Ų | 87.3 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -59.9 | 137.9 | -177 | -65.7 | 2.8 | 0 | 0 | 0 | 111.6 | W366 V372 S373 Q374 T379 | W366-W377 HydrophobicContact CZ2-CZ2 4.27Å; W366-W377 AromaticContact CZ2-NE1 3.62Å; V372-W377 PolarHBondContact O-NE1 3Å; S373-W377 PolarHBondContact O-N 3.22Å; S373-W377 PolarHBondContact O-NE1 2.66Å; Q374-W377 HydrophobicContact CB-CD2 4.38Å; Q374-W377 HydrophobicContact CB-CZ2 4.41Å; Q374-W377 HydrophobicContact CG-CD2 4.06Å; Q374-W377 HydrophobicContact CG-CE3 3.9Å; Q374-W377 HydrophobicContact CG-CH2 4.23Å; Q374-W377 HydrophobicContact CG-CZ2 4.36Å; Q374-W377 HydrophobicContact CG-CZ3 3.99Å; W377-T379 PolarHBondContact O-N 3.46Å; W377-T379 VanDerWaalsContact O-N 3.15Å |
| 378 | F | 79.6 | Confident | 80.6 | Confident | 42 Ų | 42 | 80 Ų | 80 | 18% | 0.184 | 47% | 0.468 | C | S | . | . | trans | -67.8 | 113.1 | 170.8 | -172 | -101.6 | 0 | 0 | 0 | 110.4 | I355 H358 L359 E362 Q382 Y383 | I355-F378 HydrophobicContact CB-CZ 4.22Å; I355-F378 HydrophobicContact CD1-CZ 4.12Å; I355-F378 HydrophobicContact CG1-CE1 4.5Å; I355-F378 HydrophobicContact CG1-CE2 4.26Å; I355-F378 HydrophobicContact CG1-CZ 3.73Å; I355-F378 HydrophobicContact CG2-CD1 4.28Å; I355-F378 HydrophobicContact CG2-CE1 3.51Å; I355-F378 HydrophobicContact CG2-CE2 4.39Å; I355-F378 HydrophobicContact CG2-CZ 3.6Å; H358-F378 AromaticContact CD2-CD2 3.59Å; L359-F378 HydrophobicContact CD1-CD1 4.23Å; L359-F378 HydrophobicContact CD2-CB 3.72Å; L359-F378 HydrophobicContact CD2-CD1 3.9Å; L359-F378 HydrophobicContact CD2-CG 4.1Å; L359-F378 HydrophobicContact CG-CB 4.41Å; L359-F378 HydrophobicContact CG-CD1 4.11Å; L359-F378 HydrophobicContact CG-CG 4.37Å; E362-F378 PolarHBondContact OE2-N 3.1Å; F378-Q382 HydrophobicContact CD2-CB 4.16Å; F378-Q382 HydrophobicContact CE2-CB 3.66Å; F378-Q382 HydrophobicContact CZ-CB 3.96Å; F378-Y383 HydrophobicContact CE1-CD2 4.38Å | ||
| 379 | T | 83.1 | Confident | 79.3 | Confident | 55 Ų | 55 | 79.3 Ų | 79.3 | 34% | 0.337 | 45% | 0.449 | S | S | . | . | trans | -91.7 | 152.8 | -172.5 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | W377 T381 Q382 Y383 | W377-T379 PolarHBondContact O-N 3.46Å; W377-T379 VanDerWaalsContact O-N 3.15Å; T379-T381 PolarHBondContact O-N 3.49Å; T379-Q382 WeakPolarHBondContact O-CA 3.41Å; T379-Q382 WeakPolarHBondContact O-CB 3.33Å; T379-Q382 PolarHBondContact O-N 2.75Å; T379-Q382 VanDerWaalsContact OG1-CD 3.31Å; T379-Q382 VanDerWaalsContact OG1-CG 3.3Å; T379-Q382 WeakPolarHBondContact OG1-CG 3.37Å; T379-Q382 PolarHBondContact OG1-N 2.97Å; T379-Q382 PolarHBondContact OG1-NE2 2.94Å; T379-Y383 PolarHBondContact O-N 2.59Å | ||
| 380 | E | 79.6 | Confident | 78 | Confident | 150 Ų | 150 | 80.9 Ų | 80.9 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.1 | -29.1 | 172.3 | -170.9 | 168 | -165.8 | 0 | 0 | 112.1 | Q382 Y383 L384 | E380-Q382 PolarHBondContact O-N 3.37Å; E380-Y383 WeakPolarHBondContact O-CB 3.49Å; E380-Y383 PolarHBondContact O-N 3.13Å; E380-L384 HydrophobicContact CG-CD1 4.2Å; E380-L384 HydrophobicContact CG-CG 4.42Å; E380-L384 WeakPolarHBondContact O-CB 3.47Å; E380-L384 VanDerWaalsContact O-CG 3.27Å; E380-L384 WeakPolarHBondContact O-CG 3.39Å; E380-L384 PolarHBondContact O-N 3.48Å |
| 381 | T | 81 | Confident | 76.3 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 67% | 0.669 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 170.9 | -42.6 | 0 | 0 | 0 | 0 | 112.7 | T379 A385 | T379-T381 PolarHBondContact O-N 3.49Å; T381-A385 WeakPolarHBondContact O-CB 3.34Å; T381-A385 PolarHBondContact O-N 3.45Å |
| 382 | Q | 79.7 | Confident | 74.8 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.1 | -38.9 | 174.7 | -67.2 | 159.9 | 21.1 | 0 | 0 | 111.3 | F378 T379 E380 A385 A386 | F378-Q382 HydrophobicContact CD2-CB 4.16Å; F378-Q382 HydrophobicContact CE2-CB 3.66Å; F378-Q382 HydrophobicContact CZ-CB 3.96Å; T379-Q382 WeakPolarHBondContact O-CA 3.41Å; T379-Q382 WeakPolarHBondContact O-CB 3.33Å; T379-Q382 PolarHBondContact O-N 2.75Å; T379-Q382 VanDerWaalsContact OG1-CD 3.31Å; T379-Q382 VanDerWaalsContact OG1-CG 3.3Å; T379-Q382 WeakPolarHBondContact OG1-CG 3.37Å; T379-Q382 PolarHBondContact OG1-N 2.97Å; T379-Q382 PolarHBondContact OG1-NE2 2.94Å; E380-Q382 PolarHBondContact O-N 3.37Å; Q382-A385 PolarHBondContact O-N 2.97Å; Q382-A386 WeakPolarHBondContact O-CB 3.48Å; Q382-A386 PolarHBondContact O-N 3.1Å |
| 383 | Y | 81.3 | Confident | 72.6 | Confident | 106 Ų | 106 | 90.7 Ų | 90.7 | 42% | 0.416 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 172.5 | -179.7 | -104.2 | 0 | 0 | 0 | 111.6 | I355 F378 T379 E380 A386 I387 | I355-Y383 HydrophobicContact CD1-CD2 4.42Å; F378-Y383 HydrophobicContact CE1-CD2 4.38Å; T379-Y383 PolarHBondContact O-N 2.59Å; E380-Y383 WeakPolarHBondContact O-CB 3.49Å; E380-Y383 PolarHBondContact O-N 3.13Å; Y383-A386 PolarHBondContact O-N 3.3Å; Y383-I387 HydrophobicContact CD1-CD1 4.11Å; Y383-I387 HydrophobicContact CD2-CD1 3.78Å; Y383-I387 HydrophobicContact CE1-CD1 3.7Å; Y383-I387 HydrophobicContact CE2-CD1 3.34Å; Y383-I387 HydrophobicContact CG-CD1 4.14Å; Y383-I387 WeakPolarHBondContact O-CG1 3.43Å; Y383-I387 PolarHBondContact O-N 2.63Å |
| 384 | L | 80.3 | Confident | 70.2 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.8 | -69.5 | 169.6 | 0 | 0 | 0 | 111.4 | E380 A386 I387 D388 | E380-L384 HydrophobicContact CG-CD1 4.2Å; E380-L384 HydrophobicContact CG-CG 4.42Å; E380-L384 WeakPolarHBondContact O-CB 3.47Å; E380-L384 VanDerWaalsContact O-CG 3.27Å; E380-L384 WeakPolarHBondContact O-CG 3.39Å; E380-L384 PolarHBondContact O-N 3.48Å; L384-A386 PolarHBondContact O-N 3.28Å; L384-I387 PolarHBondContact O-N 2.89Å; L384-I387 VanDerWaalsContact O-N 3.12Å; L384-D388 WeakPolarHBondContact O-CB 3.39Å; L384-D388 PolarHBondContact O-N 2.93Å |
| 385 | A | 78.6 | Confident | 68 | Low | 66 Ų | 66 | 93.1 Ų | 93.1 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -23.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T381 Q382 | T381-A385 WeakPolarHBondContact O-CB 3.34Å; T381-A385 PolarHBondContact O-N 3.45Å; Q382-A385 PolarHBondContact O-N 2.97Å |
| 386 | A | 74.4 | Confident | 65.8 | Low | 29 Ų | 29 | 94.7 Ų | 94.7 | 24% | 0.24 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -86.9 | -16.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R351 I355 Q382 Y383 L384 | R351-A386 WeakPolarHBondContact CD-O 3.36Å; R351-A386 PolarHBondContact NH1-O 2.97Å; I355-A386 HydrophobicContact CD1-CB 3.79Å; Q382-A386 WeakPolarHBondContact O-CB 3.48Å; Q382-A386 PolarHBondContact O-N 3.1Å; Y383-A386 PolarHBondContact O-N 3.3Å; L384-A386 PolarHBondContact O-N 3.28Å |
| 387 | I | 77.6 | Confident | 63.4 | Low | 45 Ų | 45 | 98 Ų | 98 | 23% | 0.231 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -110 | -12.1 | -177 | -65.6 | 170.4 | 0 | 0 | 0 | 111.8 | L352 Y383 L384 D389 | L352-I387 HydrophobicContact CD2-CD1 3.97Å; L352-I387 HydrophobicContact CD2-CG1 4.48Å; Y383-I387 HydrophobicContact CD1-CD1 4.11Å; Y383-I387 HydrophobicContact CD2-CD1 3.78Å; Y383-I387 HydrophobicContact CE1-CD1 3.7Å; Y383-I387 HydrophobicContact CE2-CD1 3.34Å; Y383-I387 HydrophobicContact CG-CD1 4.14Å; Y383-I387 WeakPolarHBondContact O-CG1 3.43Å; Y383-I387 PolarHBondContact O-N 2.63Å; L384-I387 PolarHBondContact O-N 2.89Å; L384-I387 VanDerWaalsContact O-N 3.12Å; I387-D389 VanDerWaalsContact C-N 3.32Å; I387-D389 PolarHBondContact O-N 2.82Å |
| 388 | D | 73.2 | Confident | 60.9 | Low | 55 Ų | 55 | 98.4 Ų | 98.4 | 29% | 0.294 | 54% | 0.544 | S | S | . | . | trans | -65.4 | 83.8 | 170.6 | 176.4 | 24.4 | 0 | 0 | 0 | 112.1 | L384 T390 K391 | L384-D388 WeakPolarHBondContact O-CB 3.39Å; L384-D388 PolarHBondContact O-N 2.93Å; D388-T390 PolarHBondContact O-N 2.77Å; D388-T390 VanDerWaalsContact O-N 3.15Å; D388-T390 WeakPolarHBondContact OD1-CB 3.4Å; D388-T390 WeakPolarHBondContact OD1-CG2 3.19Å; D388-T390 PolarHBondContact OD1-N 2.84Å; D388-T390 PolarHBondContact OD1-OG1 3.23Å; D388-K391 IonicContact OD2-NZ 2.7Å; D388-K391 PolarHBondContact OD2-NZ 2.97Å | ||
| 389 | D | 63.1 | Low | 58.3 | Low | 49 Ų | 49 | 105.2 Ų | 105.2 | 26% | 0.262 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -69.4 | 0.3 | 177.3 | -67.5 | -39.2 | 0 | 0 | 0 | 113.3 | K348 R351 I387 K391 | K348-D389 IonicContact NZ-OD2 2.67Å; K348-D389 PolarHBondContact NZ-OD2 3.26Å; R351-D389 IonicContact CZ-OD1 3.79Å; R351-D389 IonicContact NH1-OD1 3.54Å; R351-D389 PolarHBondContact NH1-OD1 2.64Å; R351-D389 IonicContact NH2-OD1 2.62Å; I387-D389 VanDerWaalsContact C-N 3.32Å; I387-D389 PolarHBondContact O-N 2.82Å; D389-K391 VanDerWaalsContact C-N 3.32Å; D389-K391 PolarHBondContact O-N 2.93Å |
| 390 | T | 57.8 | Low | 55.7 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 64% | 0.638 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -72 | -21.5 | -174.7 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | D388 | D388-T390 PolarHBondContact O-N 2.77Å; D388-T390 VanDerWaalsContact O-N 3.15Å; D388-T390 WeakPolarHBondContact OD1-CB 3.4Å; D388-T390 WeakPolarHBondContact OD1-CG2 3.19Å; D388-T390 PolarHBondContact OD1-N 2.84Å; D388-T390 PolarHBondContact OD1-OG1 3.23Å |
| 391 | K | 51.4 | Low | 53.1 | Low | 141 Ų | 141 | 106.9 Ų | 106.9 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -80.5 | -19.1 | -175 | -67.1 | -174.3 | 179.9 | 91.7 | 0 | 114.5 | D388 D389 I393 | D388-K391 IonicContact OD2-NZ 2.7Å; D388-K391 PolarHBondContact OD2-NZ 2.97Å; D389-K391 VanDerWaalsContact C-N 3.32Å; D389-K391 PolarHBondContact O-N 2.93Å; K391-I393 PolarHBondContact O-N 2.65Å |
| 392 | D | 47.6 | Very low | 50.6 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -78.3 | 5.7 | 178.9 | -72.1 | -32 | 0 | 0 | 0 | 113.1 | R351 | R351-D392 IonicContact NH2-OD2 2.76Å; R351-D392 PolarHBondContact NH2-OD2 3.09Å; R351-D392 VanDerWaalsContact NH2-OD2 3.09Å |
| 393 | I | 35.9 | Very low | 48.1 | Very low | 149 Ų | 149 | 114.3 Ų | 114.3 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | trans | -105.8 | 69.1 | 174.3 | -47 | -178.5 | 0 | 0 | 0 | 110.3 | K391 | K391-I393 PolarHBondContact O-N 2.65Š| ||
| 394 | T | 33 | Very low | 45.7 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | trans | -125 | 145.7 | 160.4 | 39.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 395 | T | 29.5 | Very low | 43.1 | Very low | 130 Ų | 130 | 115.9 Ų | 115.9 | 80% | 0.798 | 65% | 0.646 | S | S | * | * | trans | -71.3 | 150.6 | -166.9 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | D397 | T395-D397 PolarHBondContact O-N 2.73Å; T395-D397 VanDerWaalsContact O-N 3.11Å | ||
| 396 | P | 34.3 | Very low | 40.7 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 85% | 0.851 | 65% | 0.652 | S | S | * | * | trans | -73.9 | 104.2 | -178.4 | 30.6 | -34.6 | 0 | 0 | 0 | 111.3 | ||||
| 397 | D | 28.2 | Very low | 38.6 | Very low | 157 Ų | 157 | 122 Ų | 122 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | trans | -94.9 | 151.8 | 165.5 | -158.4 | 4.9 | 0 | 0 | 0 | 111.4 | T395 | T395-D397 PolarHBondContact O-N 2.73Å; T395-D397 VanDerWaalsContact O-N 3.11Å | ||
| 398 | V | 29.6 | Very low | 36.3 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | trans | -92.4 | 144 | -168.1 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | P400 | V398-P400 WeakPolarHBondContact O-CD 3.3Š| ||
| 399 | F | 25.4 | Very low | 34.1 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | -10.3 | 121.9 | 169.6 | -68.6 | -97.2 | 0 | 0 | 0 | 117.1 | ||||
| 400 | P | 28.1 | Very low | 32.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | -106.4 | 108.3 | 127.4 | 30.4 | -31.6 | 0 | 0 | 0 | 110.6 | V398 K402 | V398-P400 WeakPolarHBondContact O-CD 3.3Å; P400-K402 PolarHBondContact O-N 3.38Å | |||
| 401 | T | 25.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -49.6 | 132.6 | 159 | 42 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 402 | K | 28.4 | Very low | 29.8 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -137.8 | 87.6 | 147 | -153 | 171.5 | -172.5 | 180 | 0 | 112.1 | P400 M404 | P400-K402 PolarHBondContact O-N 3.38Å; K402-M404 HydrophobicContact CG-CG 4.48Å; K402-M404 PolarHBondContact O-N 3.42Å | ||
| 403 | L | 26.8 | Very low | 29.1 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -56.1 | 124.3 | 154 | -74.8 | 151.2 | 0 | 0 | 0 | 108.3 | ||||
| 404 | M | 31.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -133 | 142.9 | 143.8 | -65.8 | -155.1 | 80.2 | 0 | 0 | 108.3 | K402 | K402-M404 HydrophobicContact CG-CG 4.48Å; K402-M404 PolarHBondContact O-N 3.42Å | ||
| 405 | S | 26 | Very low | 28.2 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -61.5 | 160.2 | 166.5 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 406 | D | 28.1 | Very low | 28.1 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | -158.1 | 149.1 | 52.4 | -110.7 | -68.1 | 0 | 0 | 0 | 117.2 | |||||
| 407 | S | 30.5 | Very low | 27.6 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 35.2 | 92 | 135.4 | -57 | 0 | 0 | 0 | 0 | 118.7 | S409 | S407-S409 PolarHBondContact O-N 3.39Å; S407-S409 VanDerWaalsContact O-N 3.14Å | ||
| 408 | I | 27.9 | Very low | 27.5 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -70.4 | 104.1 | 167.1 | -60 | 171.7 | 0 | 0 | 0 | 110 | A410 | I408-A410 HydrophobicContact CG2-CB 4.49Š| ||
| 409 | S | 27.6 | Very low | 27.3 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -117.5 | 90.1 | 165 | -73.5 | 0 | 0 | 0 | 0 | 109.1 | S407 T411 | S407-S409 PolarHBondContact O-N 3.39Å; S407-S409 VanDerWaalsContact O-N 3.14Å; S409-T411 PolarHBondContact O-N 2.88Å; S409-T411 VanDerWaalsContact O-N 3.09Å | ||
| 410 | A | 30.7 | Very low | 27.1 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 88.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I408 | I408-A410 HydrophobicContact CG2-CB 4.49Š| ||
| 411 | T | 22.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -108.4 | 114 | 156.5 | 41.4 | 0 | 0 | 0 | 0 | 109.6 | S409 | S409-T411 PolarHBondContact O-N 2.88Å; S409-T411 VanDerWaalsContact O-N 3.09Å | ||
| 412 | T | 28.1 | Very low | 27.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -126 | 140.4 | -176.8 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 413 | P | 33.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -107.4 | -178.8 | -137.8 | 40.7 | -37.9 | 0 | 0 | 0 | 115.9 | ||||
| 414 | Q | 23.2 | Very low | 27.1 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.4 | 169.5 | -64.2 | 165.5 | -35.8 | 0 | 0 | 112 | ||
| 415 | G | 27.2 | Very low | 26.7 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 138.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 416 | V | 27.4 | Very low | 26.8 | Very low | 135 Ų | 135 | 131 Ų | 131 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85 | 160.2 | -168.6 | -144 | 0 | 0 | 0 | 0 | 112.9 | ||
| 417 | Q | 23.1 | Very low | 26.9 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -45.8 | 149.5 | 167.7 | -54.7 | 159.1 | -63.5 | 0 | 0 | 113.3 | ||||
| 418 | L | 27 | Very low | 26.6 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -146.1 | 143.4 | 141.9 | -108.3 | 149.6 | 0 | 0 | 0 | 109.1 | ||||
| 419 | S | 24.4 | Very low | 26.9 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -117.3 | 159.2 | -167.2 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 420 | N | 23 | Very low | 27.5 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 26.9 | 124.5 | 150.9 | -54.4 | -10.7 | 0 | 0 | 0 | 119.2 | ||||
| 421 | T | 26.1 | Very low | 27.4 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | -154 | 143 | 112.2 | -28.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 422 | S | 26.3 | Very low | 27.6 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | 48.3 | 115.3 | 147.3 | 57 | 0 | 0 | 0 | 0 | 123 | ||||
| 423 | Q | 24.5 | Very low | 27.5 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | 53.2 | 114.9 | 117.4 | -59.3 | 172.8 | -0.3 | 0 | 0 | 120.4 | |||||
| 424 | A | 29.8 | Very low | 27.4 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -139.5 | 153.4 | 132.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 425 | S | 24.4 | Very low | 27.6 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -127.3 | -175.7 | -177.8 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 426 | T | 27.5 | Very low | 27.6 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | 75.8 | 148.3 | -171.9 | 80.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 427 | A | 30.9 | Very low | 27.8 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | cis | -136.7 | 152.9 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 428 | S | 24.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -107.2 | 155.1 | 170 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 429 | L | 33.9 | Very low | 28 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -175.8 | 160.3 | 150 | -94 | 150.7 | 0 | 0 | 0 | 109.2 | ||||
| 430 | P | 39.5 | Very low | 28.2 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -134.9 | 164.8 | -145.3 | 43.1 | -28.7 | 0 | 0 | 0 | 117.8 | ||||
| 431 | S | 29.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -178.3 | 155.1 | 153.2 | -90.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 432 | S | 27.4 | Very low | 28.7 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | cis | -172.1 | 122.8 | -12.1 | 148.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 433 | R | 26 | Very low | 28.8 | Very low | 233 Ų | 233 | 127.1 Ų | 127.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 60.1 | 176.5 | 158.6 | -49.5 | 165 | 172.2 | 173.2 | -4.4 | 115.5 | ||||
| 434 | V | 30.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | cis | -135.7 | 116.9 | -6.4 | -169.3 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 435 | A | 27 | Very low | 29.2 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | 59.2 | 127.5 | 83.3 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 436 | A | 28.1 | Very low | 29.6 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 65.5 | 132.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 437 | I | 31.3 | Very low | 30.1 | Very low | 159 Ų | 159 | 120 Ų | 120 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | 179.8 | 143.3 | 104.5 | -91.8 | 164.4 | 0 | 0 | 0 | 110.7 | |||||
| 438 | S | 29.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 41.5 | 129.7 | 162.1 | -81.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 439 | D | 25.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 115.1 Ų | 115.1 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | cis | 66.5 | 137 | 12.2 | -154.9 | 11.3 | 0 | 0 | 0 | 117.3 | ||||
| 440 | T | 28.7 | Very low | 32.9 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | 81 | 113.5 | -174.4 | -41.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 441 | L | 31.4 | Very low | 34.4 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | 156.1 | 85.3 | 144.1 | -88.3 | 162.3 | 0 | 0 | 0 | 108.6 | ||||
| 442 | S | 28 | Very low | 36.2 | Very low | 89 Ų | 89 | 116.2 Ų | 116.2 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | 76.9 | 111.5 | 57.3 | 86.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 443 | S | 27.3 | Very low | 38.4 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 60 | 90.9 | 145.4 | 64.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 444 | T | 32.8 | Very low | 40.7 | Very low | 141 Ų | 141 | 111.7 Ų | 111.7 | 87% | 0.865 | 71% | 0.706 | S | S | * | * | -144.2 | 110.6 | 125.4 | 45.8 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 445 | A | 31.2 | Very low | 42.8 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 88% | 0.884 | 69% | 0.694 | S | S | * | * | cis | 73.5 | 60 | 48.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 446 | G | 32.9 | Very low | 45.1 | Very low | 61 Ų | 61 | 110 Ų | 110 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | trans | -154.9 | 129.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V448 | G446-V448 PolarHBondContact O-N 2.78Š| ||
| 447 | G | 37.1 | Very low | 47.6 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 95% | 0.948 | 67% | 0.669 | S | S | * | * | trans | -73.7 | 85.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 448 | V | 43.2 | Very low | 50 | Low | 64 Ų | 64 | 109.7 Ų | 109.7 | 39% | 0.388 | 65% | 0.653 | S | S | . | * | trans | -78.2 | 117.9 | 167.1 | 175.2 | 0 | 0 | 0 | 0 | 107.4 | G446 Q452 L453 L456 | G446-V448 PolarHBondContact O-N 2.78Å; V448-Q452 VanDerWaalsContact CG1-C 3.49Å; V448-Q452 HydrophobicContact CG1-CB 3.56Å; V448-Q452 HydrophobicContact CG1-CG 3.65Å; V448-L453 HydrophobicContact CG1-CB 4.49Å; V448-L456 HydrophobicContact CG1-CD1 4.16Å | ||
| 449 | G | 42.8 | Very low | 52.4 | Low | 41 Ų | 41 | 109.5 Ų | 109.5 | 42% | 0.423 | 64% | 0.641 | S | S | . | * | trans | -65.5 | 158.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | E451 Q452 L453 | G449-E451 VanDerWaalsContact C-N 3.32Å; G449-E451 PolarHBondContact O-N 2.73Å; G449-E451 VanDerWaalsContact O-N 3.15Å; G449-Q452 CarbonylContact O-C 3.59Å; G449-Q452 WeakPolarHBondContact O-CA 3.29Å; G449-Q452 VanDerWaalsContact O-CB 3.29Å; G449-Q452 WeakPolarHBondContact O-CB 3.22Å; G449-Q452 PolarHBondContact O-N 2.92Å; G449-L453 PolarHBondContact O-N 2.85Å | ||
| 450 | D | 62.9 | Low | 55.1 | Low | 138 Ų | 138 | 107 Ų | 107 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -52.8 | -42.3 | -169.3 | -71.1 | -31.3 | 0 | 0 | 0 | 114.3 | Q452 L453 Q454 | D450-Q452 PolarHBondContact O-N 2.91Å; D450-L453 PolarHBondContact O-N 3.32Å; D450-Q454 WeakPolarHBondContact O-CB 3.29Å; D450-Q454 PolarHBondContact O-N 2.85Å |
| 451 | E | 69.3 | Low | 57.6 | Low | 175 Ų | 175 | 106.7 Ų | 106.7 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57.4 | -38.9 | 174.3 | -58.9 | -178.4 | 146.7 | 0 | 0 | 112.4 | G449 L455 | G449-E451 VanDerWaalsContact C-N 3.32Å; G449-E451 PolarHBondContact O-N 2.73Å; G449-E451 VanDerWaalsContact O-N 3.15Å; E451-L455 WeakPolarHBondContact O-CB 3.45Å; E451-L455 PolarHBondContact O-N 3.45Å |
| 452 | Q | 68.6 | Low | 60.1 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -83.7 | -26.1 | -174.9 | -159.3 | 179.7 | 42.3 | 0 | 0 | 111.3 | V448 G449 D450 L456 | V448-Q452 VanDerWaalsContact CG1-C 3.49Å; V448-Q452 HydrophobicContact CG1-CB 3.56Å; V448-Q452 HydrophobicContact CG1-CG 3.65Å; G449-Q452 CarbonylContact O-C 3.59Å; G449-Q452 WeakPolarHBondContact O-CA 3.29Å; G449-Q452 VanDerWaalsContact O-CB 3.29Å; G449-Q452 WeakPolarHBondContact O-CB 3.22Å; G449-Q452 PolarHBondContact O-N 2.92Å; D450-Q452 PolarHBondContact O-N 2.91Å; Q452-L456 PolarHBondContact O-N 3.37Å |
| 453 | L | 72 | Confident | 62.7 | Low | 74 Ų | 74 | 103.6 Ų | 103.6 | 39% | 0.387 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.8 | -43.4 | 166.6 | 176.5 | 62.4 | 0 | 0 | 0 | 110.9 | V448 G449 D450 L455 L456 Y457 | V448-L453 HydrophobicContact CG1-CB 4.49Å; G449-L453 PolarHBondContact O-N 2.85Å; D450-L453 PolarHBondContact O-N 3.32Å; L453-L455 VanDerWaalsContact C-N 3.32Å; L453-L455 PolarHBondContact O-N 2.83Å; L453-L456 WeakPolarHBondContact O-CA 3.48Å; L453-L456 WeakPolarHBondContact O-CB 3.44Å; L453-L456 PolarHBondContact O-N 2.85Å; L453-L456 VanDerWaalsContact O-N 3.09Å; L453-Y457 HydrophobicContact CD1-CD2 4.16Å; L453-Y457 HydrophobicContact CD1-CE2 3.81Å; L453-Y457 HydrophobicContact CD2-CE2 4.49Å; L453-Y457 HydrophobicContact CG-CD2 4.15Å; L453-Y457 HydrophobicContact CG-CE2 3.98Å; L453-Y457 WeakPolarHBondContact O-CD2 3.38Å; L453-Y457 PolarHBondContact O-N 2.86Å |
| 454 | Q | 74.8 | Confident | 65.3 | Low | 145 Ų | 145 | 102.7 Ų | 102.7 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.7 | -37.6 | 176.1 | -170.2 | 171.7 | 8.2 | 0 | 0 | 111.6 | D450 L456 Y457 Q458 | D450-Q454 WeakPolarHBondContact O-CB 3.29Å; D450-Q454 PolarHBondContact O-N 2.85Å; Q454-L456 VanDerWaalsContact C-N 3.29Å; Q454-L456 PolarHBondContact O-N 3.37Å; Q454-Y457 PolarHBondContact O-N 2.89Å; Q454-Q458 PolarHBondContact O-N 3.06Å |
| 455 | L | 75.6 | Confident | 67.9 | Low | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -35.5 | 170.6 | -173 | 67.3 | 0 | 0 | 0 | 112.5 | E451 L453 Q459 | E451-L455 WeakPolarHBondContact O-CB 3.45Å; E451-L455 PolarHBondContact O-N 3.45Å; L453-L455 VanDerWaalsContact C-N 3.32Å; L453-L455 PolarHBondContact O-N 2.83Å; L455-Q459 WeakPolarHBondContact O-CB 3.4Å; L455-Q459 VanDerWaalsContact O-CG 3.31Å; L455-Q459 WeakPolarHBondContact O-CG 3.36Å; L455-Q459 PolarHBondContact O-N 3.41Å |
| 456 | L | 75.7 | Confident | 70.4 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.4 | -37.5 | 175.1 | -105.8 | 155.3 | 0 | 0 | 0 | 112.6 | V448 Q452 L453 Q454 Q459 L460 | V448-L456 HydrophobicContact CG1-CD1 4.16Å; Q452-L456 PolarHBondContact O-N 3.37Å; L453-L456 WeakPolarHBondContact O-CA 3.48Å; L453-L456 WeakPolarHBondContact O-CB 3.44Å; L453-L456 PolarHBondContact O-N 2.85Å; L453-L456 VanDerWaalsContact O-N 3.09Å; Q454-L456 VanDerWaalsContact C-N 3.29Å; Q454-L456 PolarHBondContact O-N 3.37Å; L456-Q459 PolarHBondContact O-N 3.1Å; L456-L460 PolarHBondContact O-N 2.94Å |
| 457 | Y | 79.2 | Confident | 72.9 | Confident | 144 Ų | 144 | 100.4 Ų | 100.4 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 171.3 | -83.4 | -71.1 | 0 | 0 | 0 | 112.2 | L453 Q454 Q459 L460 D461 | L453-Y457 HydrophobicContact CD1-CD2 4.16Å; L453-Y457 HydrophobicContact CD1-CE2 3.81Å; L453-Y457 HydrophobicContact CD2-CE2 4.49Å; L453-Y457 HydrophobicContact CG-CD2 4.15Å; L453-Y457 HydrophobicContact CG-CE2 3.98Å; L453-Y457 WeakPolarHBondContact O-CD2 3.38Å; L453-Y457 PolarHBondContact O-N 2.86Å; Q454-Y457 PolarHBondContact O-N 2.89Å; Y457-Q459 VanDerWaalsContact C-N 3.29Å; Y457-Q459 PolarHBondContact O-N 3.49Å; Y457-L460 WeakPolarHBondContact O-CA 3.34Å; Y457-L460 WeakPolarHBondContact O-CB 3.47Å; Y457-L460 PolarHBondContact O-N 2.84Å; Y457-D461 PolarHBondContact O-N 2.67Å |
| 458 | Q | 81.3 | Confident | 75.3 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 174.4 | -175.7 | 65.8 | 66.8 | 0 | 0 | 111.4 | Q454 L460 D461 D462 | Q454-Q458 PolarHBondContact O-N 3.06Å; Q458-L460 VanDerWaalsContact C-N 3.26Å; Q458-L460 PolarHBondContact O-N 3.14Å; Q458-D461 PolarHBondContact O-N 3.22Å; Q458-D462 PolarHBondContact NE2-OD1 3.25Å; Q458-D462 WeakPolarHBondContact O-CB 3.49Å; Q458-D462 PolarHBondContact O-N 3.32Å |
| 459 | Q | 80.9 | Confident | 77.4 | Confident | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -26.8 | 174.3 | -75.5 | 177.1 | 24 | 0 | 0 | 113.3 | L455 L456 Y457 K463 | L455-Q459 WeakPolarHBondContact O-CB 3.4Å; L455-Q459 VanDerWaalsContact O-CG 3.31Å; L455-Q459 WeakPolarHBondContact O-CG 3.36Å; L455-Q459 PolarHBondContact O-N 3.41Å; L456-Q459 PolarHBondContact O-N 3.1Å; Y457-Q459 VanDerWaalsContact C-N 3.29Å; Y457-Q459 PolarHBondContact O-N 3.49Å; Q459-K463 WeakPolarHBondContact O-CB 3.31Å; Q459-K463 WeakPolarHBondContact O-CG 3.16Å; Q459-K463 PolarHBondContact O-N 2.91Å |
| 460 | L | 80.7 | Confident | 79.5 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.3 | -49.2 | 174 | -127 | 73.4 | 0 | 0 | 0 | 111 | L456 Y457 Q458 D462 K463 D464 | L456-L460 PolarHBondContact O-N 2.94Å; Y457-L460 WeakPolarHBondContact O-CA 3.34Å; Y457-L460 WeakPolarHBondContact O-CB 3.47Å; Y457-L460 PolarHBondContact O-N 2.84Å; Q458-L460 VanDerWaalsContact C-N 3.26Å; Q458-L460 PolarHBondContact O-N 3.14Å; L460-D462 PolarHBondContact O-N 2.92Å; L460-K463 CarbonylContact O-C 3.58Å; L460-K463 WeakPolarHBondContact O-CA 3.21Å; L460-K463 PolarHBondContact O-N 3.48Å; L460-D464 PolarHBondContact O-N 2.77Å |
| 461 | D | 81.2 | Confident | 80.6 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.7 | -47 | 176.4 | -74.1 | -15.3 | 0 | 0 | 0 | 110.9 | Y457 Q458 K463 D464 D465 | Y457-D461 PolarHBondContact O-N 2.67Å; Q458-D461 PolarHBondContact O-N 3.22Å; D461-K463 PolarHBondContact O-N 2.87Å; D461-D464 PolarHBondContact O-N 2.77Å; D461-D465 VanDerWaalsContact O-CB 3.32Å; D461-D465 WeakPolarHBondContact O-CB 3.19Å; D461-D465 PolarHBondContact O-N 3.31Å |
| 462 | D | 84.4 | Confident | 81.5 | Confident | 82 Ų | 82 | 98.9 Ų | 98.9 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.6 | -34.4 | 175.2 | -69.3 | -7.4 | 0 | 0 | 0 | 111.9 | Q458 L460 E466 | Q458-D462 PolarHBondContact NE2-OD1 3.25Å; Q458-D462 WeakPolarHBondContact O-CB 3.49Å; Q458-D462 PolarHBondContact O-N 3.32Å; L460-D462 PolarHBondContact O-N 2.92Å; D462-E466 PolarHBondContact O-N 3.32Å |
| 463 | K | 82.7 | Confident | 82.4 | Confident | 105 Ų | 105 | 97 Ų | 97 | 46% | 0.457 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -82 | -37.7 | -179.9 | -72.7 | -71.1 | 165.7 | -141.9 | 0 | 113.5 | Q459 L460 D461 D465 E466 I467 | Q459-K463 WeakPolarHBondContact O-CB 3.31Å; Q459-K463 WeakPolarHBondContact O-CG 3.16Å; Q459-K463 PolarHBondContact O-N 2.91Å; L460-K463 CarbonylContact O-C 3.58Å; L460-K463 WeakPolarHBondContact O-CA 3.21Å; L460-K463 PolarHBondContact O-N 3.48Å; D461-K463 PolarHBondContact O-N 2.87Å; K463-D465 PolarHBondContact O-N 2.86Å; K463-E466 IonicContact NZ-OE1 2.71Å; K463-E466 PolarHBondContact NZ-OE1 2.91Å; K463-E466 IonicContact NZ-OE2 2.61Å; K463-E466 PolarHBondContact NZ-OE2 3.25Å; K463-E466 WeakPolarHBondContact O-CB 3.19Å; K463-E466 PolarHBondContact O-N 3.03Å; K463-I467 WeakPolarHBondContact O-CB 3.47Å; K463-I467 VanDerWaalsContact O-CG1 3.24Å; K463-I467 WeakPolarHBondContact O-CG1 3.46Å; K463-I467 PolarHBondContact O-N 2.89Å |
| 464 | D | 81.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -30.9 | 171 | -84.1 | -27.4 | 0 | 0 | 0 | 111.2 | L460 D461 I467 N468 | L460-D464 PolarHBondContact O-N 2.77Å; D461-D464 PolarHBondContact O-N 2.77Å; D464-I467 PolarHBondContact O-N 3.03Å; D464-N468 WeakPolarHBondContact O-CB 3.42Å; D464-N468 PolarHBondContact O-N 2.85Å; D464-N468 PolarHBondContact O-ND2 3.21Å |
| 465 | D | 86.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.4 | -34.9 | 173 | -149.3 | 38.8 | 0 | 0 | 0 | 111.7 | D461 K463 K469 | D461-D465 VanDerWaalsContact O-CB 3.32Å; D461-D465 WeakPolarHBondContact O-CB 3.19Å; D461-D465 PolarHBondContact O-N 3.31Å; K463-D465 PolarHBondContact O-N 2.86Å; D465-K469 VanDerWaalsContact CG-NZ 3.27Å; D465-K469 WeakPolarHBondContact O-CD 3.5Å; D465-K469 WeakPolarHBondContact O-CE 3.1Å; D465-K469 WeakPolarHBondContact O-CG 3.34Å; D465-K469 PolarHBondContact O-N 2.94Å; D465-K469 VanDerWaalsContact OD2-CE 3.25Å; D465-K469 WeakPolarHBondContact OD2-CE 3.37Å; D465-K469 IonicContact OD2-NZ 3.01Å; D465-K469 PolarHBondContact OD2-NZ 3.41Å |
| 466 | E | 85.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 96.9 Ų | 96.9 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 165.2 | -82.8 | 178.9 | -154.3 | 0 | 0 | 112.5 | D462 K463 N468 K469 Q470 | D462-E466 PolarHBondContact O-N 3.32Å; K463-E466 IonicContact NZ-OE1 2.71Å; K463-E466 PolarHBondContact NZ-OE1 2.91Å; K463-E466 IonicContact NZ-OE2 2.61Å; K463-E466 PolarHBondContact NZ-OE2 3.25Å; K463-E466 WeakPolarHBondContact O-CB 3.19Å; K463-E466 PolarHBondContact O-N 3.03Å; E466-N468 PolarHBondContact O-N 3.4Å; E466-K469 PolarHBondContact O-N 2.94Å; E466-Q470 WeakPolarHBondContact O-CG 3.33Å; E466-Q470 PolarHBondContact O-N 3.31Å |
| 467 | I | 84.5 | Confident | 84.8 | Confident | 95 Ų | 95 | 97.6 Ų | 97.6 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | -179.6 | -72.5 | 162.9 | 0 | 0 | 0 | 110.4 | K463 D464 K469 Q470 A471 | K463-I467 WeakPolarHBondContact O-CB 3.47Å; K463-I467 VanDerWaalsContact O-CG1 3.24Å; K463-I467 WeakPolarHBondContact O-CG1 3.46Å; K463-I467 PolarHBondContact O-N 2.89Å; D464-I467 PolarHBondContact O-N 3.03Å; I467-K469 PolarHBondContact O-N 2.67Å; I467-Q470 PolarHBondContact O-N 2.86Å; I467-A471 WeakPolarHBondContact O-CB 3.48Å; I467-A471 PolarHBondContact O-N 3.06Å |
| 468 | N | 86.9 | Confident | 85.2 | Confident | 87 Ų | 87 | 99.5 Ų | 99.5 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 174.9 | -84.2 | -64.4 | 0 | 0 | 0 | 112.2 | D464 E466 Q470 A471 Q472 | D464-N468 WeakPolarHBondContact O-CB 3.42Å; D464-N468 PolarHBondContact O-N 2.85Å; D464-N468 PolarHBondContact O-ND2 3.21Å; E466-N468 PolarHBondContact O-N 3.4Å; N468-Q470 VanDerWaalsContact C-N 3.35Å; N468-Q470 PolarHBondContact O-N 2.86Å; N468-A471 PolarHBondContact O-N 3.07Å; N468-Q472 WeakPolarHBondContact O-CG 3.31Å; N468-Q472 PolarHBondContact O-N 2.9Å |
| 469 | K | 88.3 | Confident | 85.6 | Confident | 106 Ų | 106 | 100 Ų | 100 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.9 | -68.4 | 157.8 | -158.9 | 155.8 | 0 | 111.6 | D465 E466 I467 T473 | D465-K469 VanDerWaalsContact CG-NZ 3.27Å; D465-K469 WeakPolarHBondContact O-CD 3.5Å; D465-K469 WeakPolarHBondContact O-CE 3.1Å; D465-K469 WeakPolarHBondContact O-CG 3.34Å; D465-K469 PolarHBondContact O-N 2.94Å; D465-K469 VanDerWaalsContact OD2-CE 3.25Å; D465-K469 WeakPolarHBondContact OD2-CE 3.37Å; D465-K469 IonicContact OD2-NZ 3.01Å; D465-K469 PolarHBondContact OD2-NZ 3.41Å; E466-K469 PolarHBondContact O-N 2.94Å; I467-K469 PolarHBondContact O-N 2.67Å; K469-T473 WeakPolarHBondContact O-CB 3.35Å; K469-T473 PolarHBondContact O-N 2.93Å; K469-T473 VanDerWaalsContact O-N 3.1Å; K469-T473 PolarHBondContact O-OG1 2.83Å |
| 470 | Q | 85.6 | Confident | 86 | Confident | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 174.1 | -70.6 | -179.8 | 35.1 | 0 | 0 | 112.1 | E466 I467 N468 Q472 T473 I474 | E466-Q470 WeakPolarHBondContact O-CG 3.33Å; E466-Q470 PolarHBondContact O-N 3.31Å; I467-Q470 PolarHBondContact O-N 2.86Å; N468-Q470 VanDerWaalsContact C-N 3.35Å; N468-Q470 PolarHBondContact O-N 2.86Å; Q470-Q472 PolarHBondContact O-N 3.49Å; Q470-T473 CarbonylContact O-C 3.5Å; Q470-T473 WeakPolarHBondContact O-CA 3.39Å; Q470-T473 WeakPolarHBondContact O-CB 3.18Å; Q470-T473 PolarHBondContact O-N 3.18Å; Q470-T473 VanDerWaalsContact O-N 3.1Å; Q470-I474 WeakPolarHBondContact O-CG1 3.38Å; Q470-I474 PolarHBondContact O-N 3.42Å |
| 471 | A | 85.9 | Confident | 86.4 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I467 N468 T473 I474 A475 | I467-A471 WeakPolarHBondContact O-CB 3.48Å; I467-A471 PolarHBondContact O-N 3.06Å; N468-A471 PolarHBondContact O-N 3.07Å; A471-T473 VanDerWaalsContact C-N 3.29Å; A471-T473 PolarHBondContact O-N 3.1Å; A471-I474 PolarHBondContact O-N 3.23Å; A471-A475 WeakPolarHBondContact O-CB 3.45Å; A471-A475 PolarHBondContact O-N 3.14Å |
| 472 | Q | 88.8 | Confident | 86.7 | Confident | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -34.5 | 172.7 | -69.6 | 177.2 | 24.9 | 0 | 0 | 112.5 | N468 Q470 R476 | N468-Q472 WeakPolarHBondContact O-CG 3.31Å; N468-Q472 PolarHBondContact O-N 2.9Å; Q470-Q472 PolarHBondContact O-N 3.49Å; Q472-R476 PolarHBondContact O-N 2.79Å; Q472-R476 VanDerWaalsContact O-N 3.09Å |
| 473 | T | 87.6 | Confident | 87 | Confident | 76 Ų | 76 | 101.5 Ų | 101.5 | 47% | 0.466 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | K469 Q470 A471 A475 R476 L477 | K469-T473 WeakPolarHBondContact O-CB 3.35Å; K469-T473 PolarHBondContact O-N 2.93Å; K469-T473 VanDerWaalsContact O-N 3.1Å; K469-T473 PolarHBondContact O-OG1 2.83Å; Q470-T473 CarbonylContact O-C 3.5Å; Q470-T473 WeakPolarHBondContact O-CA 3.39Å; Q470-T473 WeakPolarHBondContact O-CB 3.18Å; Q470-T473 PolarHBondContact O-N 3.18Å; Q470-T473 VanDerWaalsContact O-N 3.1Å; A471-T473 VanDerWaalsContact C-N 3.29Å; A471-T473 PolarHBondContact O-N 3.1Å; T473-A475 VanDerWaalsContact C-N 3.33Å; T473-A475 PolarHBondContact O-N 3.18Å; T473-R476 PolarHBondContact O-N 3.41Å; T473-L477 HydrophobicContact CG2-CD1 4.16Å; T473-L477 WeakPolarHBondContact O-CG 3.43Å; T473-L477 PolarHBondContact O-N 3.42Å |
| 474 | I | 86.6 | Confident | 87.1 | Confident | 87 Ų | 87 | 102.1 Ų | 102.1 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 174.5 | -68 | 163.4 | 0 | 0 | 0 | 111 | Q470 A471 L477 R478 | Q470-I474 WeakPolarHBondContact O-CG1 3.38Å; Q470-I474 PolarHBondContact O-N 3.42Å; A471-I474 PolarHBondContact O-N 3.23Å; I474-L477 PolarHBondContact O-N 3.11Å; I474-R478 WeakPolarHBondContact O-CG 3.42Å; I474-R478 PolarHBondContact O-N 3.07Å |
| 475 | A | 86.4 | Confident | 87.4 | Confident | 59 Ų | 59 | 101.7 Ų | 101.7 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A471 T473 L477 R478 Q479 | A471-A475 WeakPolarHBondContact O-CB 3.45Å; A471-A475 PolarHBondContact O-N 3.14Å; T473-A475 VanDerWaalsContact C-N 3.33Å; T473-A475 PolarHBondContact O-N 3.18Å; A475-L477 PolarHBondContact O-N 3Å; A475-R478 PolarHBondContact O-N 3.03Å; A475-Q479 PolarHBondContact O-N 3.4Å; A475-Q479 VanDerWaalsContact O-N 3.1Å |
| 476 | R | 88.4 | Confident | 87.6 | Confident | 167 Ų | 167 | 104.1 Ų | 104.1 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.7 | -46.1 | 172.8 | -83.4 | -168.7 | 173.4 | 100.4 | -1.6 | 112.4 | Q472 T473 R478 Q479 Q480 | Q472-R476 PolarHBondContact O-N 2.79Å; Q472-R476 VanDerWaalsContact O-N 3.09Å; T473-R476 PolarHBondContact O-N 3.41Å; R476-R478 VanDerWaalsContact C-N 3.31Å; R476-R478 PolarHBondContact O-N 3.25Å; R476-Q479 PolarHBondContact O-N 3.04Å; R476-Q480 WeakPolarHBondContact O-CG 3.4Å; R476-Q480 PolarHBondContact O-N 2.98Å |
| 477 | L | 88.2 | Confident | 87.8 | Confident | 96 Ų | 96 | 105 Ų | 105 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | -179.8 | -72.1 | 170.2 | 0 | 0 | 0 | 112.1 | T473 I474 A475 Q480 V481 | T473-L477 HydrophobicContact CG2-CD1 4.16Å; T473-L477 WeakPolarHBondContact O-CG 3.43Å; T473-L477 PolarHBondContact O-N 3.42Å; I474-L477 PolarHBondContact O-N 3.11Å; A475-L477 PolarHBondContact O-N 3Å; L477-Q480 PolarHBondContact O-N 3.41Å; L477-V481 WeakPolarHBondContact O-CG2 3.49Å; L477-V481 PolarHBondContact O-N 3.44Å; L477-V481 VanDerWaalsContact O-N 3.12Å |
| 478 | R | 86.3 | Confident | 87.9 | Confident | 184 Ų | 184 | 103.7 Ų | 103.7 | 69% | 0.694 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 173.4 | -75.3 | -179.7 | -180 | -171.3 | 0.7 | 112.2 | I474 A475 R476 Q480 V481 E482 | I474-R478 WeakPolarHBondContact O-CG 3.42Å; I474-R478 PolarHBondContact O-N 3.07Å; A475-R478 PolarHBondContact O-N 3.03Å; R476-R478 VanDerWaalsContact C-N 3.31Å; R476-R478 PolarHBondContact O-N 3.25Å; R478-Q480 VanDerWaalsContact C-N 3.3Å; R478-Q480 PolarHBondContact O-N 3.44Å; R478-V481 PolarHBondContact O-N 2.79Å; R478-V481 VanDerWaalsContact O-N 3.1Å; R478-E482 PolarHBondContact O-N 3.4Å |
| 479 | Q | 90.6 | Very high | 88 | Confident | 115 Ų | 115 | 103.5 Ų | 103.5 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 175.5 | -177.6 | -176.5 | -19.1 | 0 | 0 | 111.3 | A475 R476 V481 E482 E483 | A475-Q479 PolarHBondContact O-N 3.4Å; A475-Q479 VanDerWaalsContact O-N 3.1Å; R476-Q479 PolarHBondContact O-N 3.04Å; Q479-V481 VanDerWaalsContact C-N 3.25Å; Q479-V481 PolarHBondContact O-N 2.98Å; Q479-E482 PolarHBondContact O-N 2.79Å; Q479-E483 HydrophobicContact CG-CG 4.44Å; Q479-E483 WeakPolarHBondContact CG-OE1 3.24Å; Q479-E483 PolarHBondContact NE2-OE1 3.26Å; Q479-E483 WeakPolarHBondContact O-CB 3.24Å; Q479-E483 WeakPolarHBondContact O-CG 3.33Å; Q479-E483 PolarHBondContact O-N 3.2Å |
| 480 | Q | 88.7 | Confident | 88.1 | Confident | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -23 | 177.7 | -71.6 | -176.8 | -48.4 | 0 | 0 | 114.1 | R476 L477 R478 Q484 | R476-Q480 WeakPolarHBondContact O-CG 3.4Å; R476-Q480 PolarHBondContact O-N 2.98Å; L477-Q480 PolarHBondContact O-N 3.41Å; R478-Q480 VanDerWaalsContact C-N 3.3Å; R478-Q480 PolarHBondContact O-N 3.44Å; Q480-Q484 WeakPolarHBondContact O-CB 3.4Å; Q480-Q484 WeakPolarHBondContact O-CG 3.48Å; Q480-Q484 PolarHBondContact O-N 3.32Å; Q480-Q484 PolarHBondContact O-NE2 3.18Å |
| 481 | V | 88.8 | Confident | 88.3 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.1 | -44.4 | 172 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | L477 R478 Q479 E483 Q484 D485 | L477-V481 WeakPolarHBondContact O-CG2 3.49Å; L477-V481 PolarHBondContact O-N 3.44Å; L477-V481 VanDerWaalsContact O-N 3.12Å; R478-V481 PolarHBondContact O-N 2.79Å; R478-V481 VanDerWaalsContact O-N 3.1Å; Q479-V481 VanDerWaalsContact C-N 3.25Å; Q479-V481 PolarHBondContact O-N 2.98Å; V481-E483 PolarHBondContact O-N 3.35Å; V481-Q484 PolarHBondContact O-N 3.02Å; V481-Q484 VanDerWaalsContact O-N 3.11Å; V481-D485 PolarHBondContact O-N 3.05Å |
| 482 | E | 88.2 | Confident | 88.5 | Confident | 140 Ų | 140 | 105.6 Ų | 105.6 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58 | -48.3 | 175.8 | -156.4 | 94.6 | -131 | 0 | 0 | 111 | R478 Q479 Q484 D485 E486 | R478-E482 PolarHBondContact O-N 3.4Å; Q479-E482 PolarHBondContact O-N 2.79Å; E482-Q484 VanDerWaalsContact C-N 3.27Å; E482-Q484 PolarHBondContact O-N 3.09Å; E482-D485 PolarHBondContact O-N 2.91Å; E482-E486 PolarHBondContact O-N 3.4Å |
| 483 | E | 89.9 | Confident | 88.7 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -34.7 | 175 | -71.7 | 170.9 | -177.1 | 0 | 0 | 112.5 | Q479 V481 I487 | Q479-E483 HydrophobicContact CG-CG 4.44Å; Q479-E483 WeakPolarHBondContact CG-OE1 3.24Å; Q479-E483 PolarHBondContact NE2-OE1 3.26Å; Q479-E483 WeakPolarHBondContact O-CB 3.24Å; Q479-E483 WeakPolarHBondContact O-CG 3.33Å; Q479-E483 PolarHBondContact O-N 3.2Å; V481-E483 PolarHBondContact O-N 3.35Å; E483-I487 WeakPolarHBondContact O-CD1 3.24Å; E483-I487 VanDerWaalsContact O-CG1 3.27Å; E483-I487 WeakPolarHBondContact O-CG1 3.42Å; E483-I487 PolarHBondContact O-N 2.99Å |
| 484 | Q | 85.8 | Confident | 88.8 | Confident | 118 Ų | 118 | 109.7 Ų | 109.7 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.7 | -38.7 | 176 | -79.3 | 175.1 | 40.1 | 0 | 0 | 112.7 | Q480 V481 E482 I487 I488 | Q480-Q484 WeakPolarHBondContact O-CB 3.4Å; Q480-Q484 WeakPolarHBondContact O-CG 3.48Å; Q480-Q484 PolarHBondContact O-N 3.32Å; Q480-Q484 PolarHBondContact O-NE2 3.18Å; V481-Q484 PolarHBondContact O-N 3.02Å; V481-Q484 VanDerWaalsContact O-N 3.11Å; E482-Q484 VanDerWaalsContact C-N 3.27Å; E482-Q484 PolarHBondContact O-N 3.09Å; Q484-I487 PolarHBondContact O-N 3.13Å; Q484-I488 WeakPolarHBondContact O-CB 3.49Å; Q484-I488 WeakPolarHBondContact O-CD1 3.2Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.18Å; Q484-I488 PolarHBondContact O-N 2.87Å |
| 485 | D | 87.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 113.4 Ų | 113.4 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -34.5 | 176.6 | -93.7 | -40.8 | 0 | 0 | 0 | 111.8 | V481 E482 I488 N489 | V481-D485 PolarHBondContact O-N 3.05Å; E482-D485 PolarHBondContact O-N 2.91Å; D485-I488 PolarHBondContact O-N 2.97Å; D485-N489 WeakPolarHBondContact O-CB 3.32Å; D485-N489 VanDerWaalsContact O-CG 3.28Å; D485-N489 PolarHBondContact O-N 3.19Å; D485-N489 PolarHBondContact O-ND2 3.43Å |
| 486 | E | 90.3 | Very high | 89 | Confident | 138 Ų | 138 | 116.1 Ų | 116.1 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -49.1 | 169.1 | -72 | -163.6 | 159.6 | 0 | 0 | 111.8 | E482 I488 N489 T490 | E482-E486 PolarHBondContact O-N 3.4Å; E486-I488 VanDerWaalsContact C-N 3.34Å; E486-I488 PolarHBondContact O-N 3.23Å; E486-N489 PolarHBondContact O-N 3.39Å; E486-N489 VanDerWaalsContact O-N 3.13Å; E486-T490 PolarHBondContact O-N 2.88Å |
| 487 | I | 89.7 | Confident | 89.1 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 177.6 | -68.1 | 166.1 | 0 | 0 | 0 | 111.7 | E483 Q484 N489 T490 L491 | E483-I487 WeakPolarHBondContact O-CD1 3.24Å; E483-I487 VanDerWaalsContact O-CG1 3.27Å; E483-I487 WeakPolarHBondContact O-CG1 3.42Å; E483-I487 PolarHBondContact O-N 2.99Å; Q484-I487 PolarHBondContact O-N 3.13Å; I487-N489 VanDerWaalsContact C-N 3.3Å; I487-N489 PolarHBondContact O-N 2.82Å; I487-T490 PolarHBondContact O-OG1 2.92Å; I487-L491 HydrophobicContact CG2-CD1 3.89Å; I487-L491 HydrophobicContact CG2-CG 4.46Å; I487-L491 WeakPolarHBondContact O-CB 3.49Å; I487-L491 VanDerWaalsContact O-CG 3.26Å; I487-L491 WeakPolarHBondContact O-CG 3.22Å; I487-L491 PolarHBondContact O-N 3.22Å; I487-L491 VanDerWaalsContact O-N 3.07Å |
| 488 | I | 86.9 | Confident | 89.1 | Confident | 67 Ų | 67 | 110.7 Ų | 110.7 | 34% | 0.344 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 175.7 | -73.7 | 164.5 | 0 | 0 | 0 | 110.7 | Q484 D485 E486 R492 | Q484-I488 WeakPolarHBondContact O-CB 3.49Å; Q484-I488 WeakPolarHBondContact O-CD1 3.2Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.18Å; Q484-I488 PolarHBondContact O-N 2.87Å; D485-I488 PolarHBondContact O-N 2.97Å; E486-I488 VanDerWaalsContact C-N 3.34Å; E486-I488 PolarHBondContact O-N 3.23Å; I488-R492 VanDerWaalsContact CG2-CZ 3.45Å; I488-R492 WeakPolarHBondContact O-CB 3.48Å; I488-R492 WeakPolarHBondContact O-CD 3.33Å; I488-R492 WeakPolarHBondContact O-CG 3.2Å; I488-R492 PolarHBondContact O-N 2.95Å |
| 489 | N | 90 | Very high | 89.2 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.9 | -34.1 | 179.9 | -72.2 | -43.8 | 0 | 0 | 0 | 113.2 | D485 E486 I487 R492 K493 | D485-N489 WeakPolarHBondContact O-CB 3.32Å; D485-N489 VanDerWaalsContact O-CG 3.28Å; D485-N489 PolarHBondContact O-N 3.19Å; D485-N489 PolarHBondContact O-ND2 3.43Å; E486-N489 PolarHBondContact O-N 3.39Å; E486-N489 VanDerWaalsContact O-N 3.13Å; I487-N489 VanDerWaalsContact C-N 3.3Å; I487-N489 PolarHBondContact O-N 2.82Å; N489-R492 PolarHBondContact OD1-NH1 2.99Å; N489-R492 VanDerWaalsContact OD1-NH1 3.15Å; N489-K493 PolarHBondContact O-N 2.88Å; N489-K493 VanDerWaalsContact O-N 3.16Å |
| 490 | T | 90.7 | Very high | 89.3 | Confident | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 170.3 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | E486 I487 R492 K493 E494 | E486-T490 PolarHBondContact O-N 2.88Å; I487-T490 PolarHBondContact O-OG1 2.92Å; T490-R492 VanDerWaalsContact C-N 3.29Å; T490-R492 PolarHBondContact O-N 2.86Å; T490-K493 WeakPolarHBondContact O-CB 3.46Å; T490-K493 PolarHBondContact O-N 2.83Å; T490-E494 WeakPolarHBondContact O-CG 3.34Å; T490-E494 PolarHBondContact O-N 2.87Å |
| 491 | L | 89.4 | Confident | 89.3 | Confident | 99 Ų | 99 | 108 Ų | 108 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 176.8 | -71.7 | 170.6 | 0 | 0 | 0 | 113.1 | I487 R495 | I487-L491 HydrophobicContact CG2-CD1 3.89Å; I487-L491 HydrophobicContact CG2-CG 4.46Å; I487-L491 WeakPolarHBondContact O-CB 3.49Å; I487-L491 VanDerWaalsContact O-CG 3.26Å; I487-L491 WeakPolarHBondContact O-CG 3.22Å; I487-L491 PolarHBondContact O-N 3.22Å; I487-L491 VanDerWaalsContact O-N 3.07Å; L491-R495 VanDerWaalsContact O-CB 3.3Å; L491-R495 WeakPolarHBondContact O-CB 3.46Å; L491-R495 PolarHBondContact O-N 2.95Å |
| 492 | R | 89.9 | Confident | 89.3 | Confident | 144 Ų | 144 | 108.2 Ų | 108.2 | 54% | 0.543 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 172.2 | -78.4 | 167.4 | -179.5 | 171.2 | 1.8 | 111.8 | I488 N489 T490 R495 E496 | I488-R492 VanDerWaalsContact CG2-CZ 3.45Å; I488-R492 WeakPolarHBondContact O-CB 3.48Å; I488-R492 WeakPolarHBondContact O-CD 3.33Å; I488-R492 WeakPolarHBondContact O-CG 3.2Å; I488-R492 PolarHBondContact O-N 2.95Å; N489-R492 PolarHBondContact OD1-NH1 2.99Å; N489-R492 VanDerWaalsContact OD1-NH1 3.15Å; T490-R492 VanDerWaalsContact C-N 3.29Å; T490-R492 PolarHBondContact O-N 2.86Å; R492-R495 PolarHBondContact O-N 2.93Å; R492-E496 PolarHBondContact O-N 3.02Å |
| 493 | K | 91.8 | Very high | 89.4 | Confident | 165 Ų | 165 | 105.7 Ų | 105.7 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -40.2 | 179.7 | -172.9 | 179.5 | 178.1 | -176.8 | 0 | 112.2 | N489 T490 E496 G497 | N489-K493 PolarHBondContact O-N 2.88Å; N489-K493 VanDerWaalsContact O-N 3.16Å; T490-K493 WeakPolarHBondContact O-CB 3.46Å; T490-K493 PolarHBondContact O-N 2.83Å; K493-E496 PolarHBondContact O-N 3.48Å; K493-G497 PolarHBondContact O-N 2.76Å; K493-G497 VanDerWaalsContact O-N 3.1Å |
| 494 | E | 89.9 | Confident | 89.5 | Confident | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.3 | -71.4 | 174.9 | -179.6 | 0 | 0 | 111.7 | T490 E496 G497 Q498 | T490-E494 WeakPolarHBondContact O-CG 3.34Å; T490-E494 PolarHBondContact O-N 2.87Å; E494-E496 VanDerWaalsContact C-N 3.32Å; E494-E496 PolarHBondContact O-N 2.8Å; E494-G497 WeakPolarHBondContact O-CA 3.48Å; E494-G497 PolarHBondContact O-N 2.83Å; E494-Q498 WeakPolarHBondContact O-CG 3.33Å; E494-Q498 PolarHBondContact O-N 2.58Å |
| 495 | R | 89.5 | Confident | 89.8 | Confident | 166 Ų | 166 | 104.8 Ų | 104.8 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -37.6 | 176.1 | -178.3 | -178.1 | 173.5 | -137.8 | -4.6 | 112.8 | L491 R492 G497 L499 | L491-R495 VanDerWaalsContact O-CB 3.3Å; L491-R495 WeakPolarHBondContact O-CB 3.46Å; L491-R495 PolarHBondContact O-N 2.95Å; R492-R495 PolarHBondContact O-N 2.93Å; R495-G497 VanDerWaalsContact C-N 3.34Å; R495-L499 HydrophobicContact CG-CD1 4.28Å; R495-L499 WeakPolarHBondContact O-CB 3.36Å; R495-L499 WeakPolarHBondContact O-CG 3.28Å; R495-L499 PolarHBondContact O-N 2.95Å |
| 496 | E | 89.3 | Confident | 89.8 | Confident | 116 Ų | 116 | 106.5 Ų | 106.5 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -32.4 | 172.7 | -77.5 | -169.9 | -171.9 | 0 | 0 | 113.1 | R492 K493 E494 K500 | R492-E496 PolarHBondContact O-N 3.02Å; K493-E496 PolarHBondContact O-N 3.48Å; E494-E496 VanDerWaalsContact C-N 3.32Å; E494-E496 PolarHBondContact O-N 2.8Å; E496-K500 WeakPolarHBondContact O-CD 3.46Å; E496-K500 WeakPolarHBondContact O-CG 3.35Å; E496-K500 PolarHBondContact O-N 2.91Å |
| 497 | G | 89.2 | Confident | 89.8 | Confident | 36 Ų | 36 | 102.9 Ų | 102.9 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -54.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K493 E494 R495 L499 K500 E501 | K493-G497 PolarHBondContact O-N 2.76Å; K493-G497 VanDerWaalsContact O-N 3.1Å; E494-G497 WeakPolarHBondContact O-CA 3.48Å; E494-G497 PolarHBondContact O-N 2.83Å; R495-G497 VanDerWaalsContact C-N 3.34Å; G497-L499 VanDerWaalsContact C-N 3.29Å; G497-L499 PolarHBondContact O-N 2.99Å; G497-K500 WeakPolarHBondContact O-CB 3.31Å; G497-K500 PolarHBondContact O-N 3.1Å; G497-E501 PolarHBondContact O-N 3.29Å |
| 498 | Q | 89.7 | Confident | 89.7 | Confident | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.9 | -38.1 | 178.8 | -68.5 | 172.1 | -2.5 | 0 | 0 | 112.7 | E494 K500 E501 I502 | E494-Q498 WeakPolarHBondContact O-CG 3.33Å; E494-Q498 PolarHBondContact O-N 2.58Å; Q498-K500 VanDerWaalsContact C-N 3.34Å; Q498-K500 PolarHBondContact O-N 2.66Å; Q498-E501 PolarHBondContact O-N 2.66Å; Q498-I502 WeakPolarHBondContact O-CB 3.12Å; Q498-I502 WeakPolarHBondContact O-CD1 3.2Å; Q498-I502 VanDerWaalsContact O-CG1 3.25Å; Q498-I502 WeakPolarHBondContact O-CG1 3.25Å; Q498-I502 PolarHBondContact O-N 2.59Å |
| 499 | L | 88.3 | Confident | 90 | Very high | 91 Ų | 91 | 107.8 Ų | 107.8 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 175.6 | -85.2 | 163 | 0 | 0 | 0 | 112.9 | R495 G497 T503 | R495-L499 HydrophobicContact CG-CD1 4.28Å; R495-L499 WeakPolarHBondContact O-CB 3.36Å; R495-L499 WeakPolarHBondContact O-CG 3.28Å; R495-L499 PolarHBondContact O-N 2.95Å; G497-L499 VanDerWaalsContact C-N 3.29Å; G497-L499 PolarHBondContact O-N 2.99Å; L499-T503 WeakPolarHBondContact O-CB 3.47Å; L499-T503 PolarHBondContact O-N 3.31Å; L499-T503 PolarHBondContact O-OG1 2.94Å |
| 500 | K | 91.3 | Very high | 90 | Very high | 129 Ų | 129 | 108.3 Ų | 108.3 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.8 | -43.5 | 175.4 | -69 | 163.8 | -172.5 | 164.3 | 0 | 111 | E496 G497 Q498 T503 N504 | E496-K500 WeakPolarHBondContact O-CD 3.46Å; E496-K500 WeakPolarHBondContact O-CG 3.35Å; E496-K500 PolarHBondContact O-N 2.91Å; G497-K500 WeakPolarHBondContact O-CB 3.31Å; G497-K500 PolarHBondContact O-N 3.1Å; Q498-K500 VanDerWaalsContact C-N 3.34Å; Q498-K500 PolarHBondContact O-N 2.66Å; K500-T503 WeakPolarHBondContact O-CB 3.36Å; K500-T503 PolarHBondContact O-N 3.12Å; K500-T503 VanDerWaalsContact O-N 3.13Å; K500-N504 PolarHBondContact O-N 2.94Å; K500-N504 PolarHBondContact O-OD1 3.15Å |
| 501 | E | 89.6 | Confident | 89.9 | Confident | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 176.4 | -172.2 | 175.9 | -164.6 | 0 | 0 | 112 | G497 Q498 T503 N504 L505 | G497-E501 PolarHBondContact O-N 3.29Å; Q498-E501 PolarHBondContact O-N 2.66Å; E501-T503 VanDerWaalsContact C-N 3.28Å; E501-T503 PolarHBondContact O-N 3.27Å; E501-N504 PolarHBondContact O-N 2.79Å; E501-L505 HydrophobicContact CG-CD1 4.19Å; E501-L505 WeakPolarHBondContact O-CB 3.34Å; E501-L505 WeakPolarHBondContact O-CG 3.25Å; E501-L505 PolarHBondContact O-N 2.69Å |
| 502 | I | 89.3 | Confident | 89.8 | Confident | 91 Ų | 91 | 106.1 Ų | 106.1 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 174.1 | -69.4 | 165.6 | 0 | 0 | 0 | 111.5 | Q498 Q506 | Q498-I502 WeakPolarHBondContact O-CB 3.12Å; Q498-I502 WeakPolarHBondContact O-CD1 3.2Å; Q498-I502 VanDerWaalsContact O-CG1 3.25Å; Q498-I502 WeakPolarHBondContact O-CG1 3.25Å; Q498-I502 PolarHBondContact O-N 2.59Å; I502-Q506 WeakPolarHBondContact O-CG 3.39Å; I502-Q506 PolarHBondContact O-N 3.33Å |
| 503 | T | 89.9 | Confident | 89.8 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | L499 K500 E501 Q506 A507 | L499-T503 WeakPolarHBondContact O-CB 3.47Å; L499-T503 PolarHBondContact O-N 3.31Å; L499-T503 PolarHBondContact O-OG1 2.94Å; K500-T503 WeakPolarHBondContact O-CB 3.36Å; K500-T503 PolarHBondContact O-N 3.12Å; K500-T503 VanDerWaalsContact O-N 3.13Å; E501-T503 VanDerWaalsContact C-N 3.28Å; E501-T503 PolarHBondContact O-N 3.27Å; T503-Q506 PolarHBondContact O-N 2.83Å; T503-A507 PolarHBondContact O-N 2.8Å |
| 504 | N | 92.2 | Very high | 89.6 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 175.9 | -69 | 2.2 | 0 | 0 | 0 | 111.3 | K500 E501 Q506 A507 E508 | K500-N504 PolarHBondContact O-N 2.94Å; K500-N504 PolarHBondContact O-OD1 3.15Å; E501-N504 PolarHBondContact O-N 2.79Å; N504-Q506 PolarHBondContact O-N 3.03Å; N504-A507 WeakPolarHBondContact O-CA 3.5Å; N504-A507 WeakPolarHBondContact O-CB 3.13Å; N504-A507 PolarHBondContact O-N 2.84Å; N504-E508 WeakPolarHBondContact O-CG 3.38Å; N504-E508 PolarHBondContact O-N 2.78Å |
| 505 | L | 90.5 | Very high | 89.4 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -33.1 | 176.4 | -70.9 | 169.2 | 0 | 0 | 0 | 112.5 | E501 Y509 | E501-L505 HydrophobicContact CG-CD1 4.19Å; E501-L505 WeakPolarHBondContact O-CB 3.34Å; E501-L505 WeakPolarHBondContact O-CG 3.25Å; E501-L505 PolarHBondContact O-N 2.69Å; L505-Y509 VanDerWaalsContact O-CB 3.29Å; L505-Y509 WeakPolarHBondContact O-CB 3.42Å; L505-Y509 PolarHBondContact O-N 3.46Å |
| 506 | Q | 88.2 | Confident | 89.3 | Confident | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.4 | -36.3 | 170.4 | -77.3 | -166.7 | -101.4 | 0 | 0 | 112.7 | I502 T503 N504 Q510 | I502-Q506 WeakPolarHBondContact O-CG 3.39Å; I502-Q506 PolarHBondContact O-N 3.33Å; T503-Q506 PolarHBondContact O-N 2.83Å; N504-Q506 PolarHBondContact O-N 3.03Å; Q506-Q510 PolarHBondContact O-N 3.34Å; Q506-Q510 PolarHBondContact O-NE2 3.39Å |
| 507 | A | 90 | Very high | 89.2 | Confident | 63 Ų | 63 | 96.5 Ų | 96.5 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T503 N504 Q510 S511 | T503-A507 PolarHBondContact O-N 2.8Å; N504-A507 WeakPolarHBondContact O-CA 3.5Å; N504-A507 WeakPolarHBondContact O-CB 3.13Å; N504-A507 PolarHBondContact O-N 2.84Å; A507-Q510 WeakPolarHBondContact O-CB 3.46Å; A507-Q510 PolarHBondContact O-N 3.36Å; A507-Q510 VanDerWaalsContact O-N 3.17Å; A507-S511 PolarHBondContact O-N 3.15Å |
| 508 | E | 89.1 | Confident | 89.1 | Confident | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 176.3 | -70.3 | 166.3 | -157.4 | 0 | 0 | 111.6 | N504 Q510 S511 S512 | N504-E508 WeakPolarHBondContact O-CG 3.38Å; N504-E508 PolarHBondContact O-N 2.78Å; E508-Q510 PolarHBondContact O-N 3.21Å; E508-S511 WeakPolarHBondContact O-CB 3.41Å; E508-S511 PolarHBondContact O-N 3.48Å; E508-S511 VanDerWaalsContact O-N 3.07Å; E508-S512 PolarHBondContact O-N 3.03Å |
| 509 | Y | 92.6 | Very high | 89 | Confident | 155 Ų | 155 | 99.9 Ų | 99.9 | 61% | 0.608 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.7 | -32.8 | 175.5 | 176.9 | -113 | 0 | 0 | 0 | 113 | L505 K513 | L505-Y509 VanDerWaalsContact O-CB 3.29Å; L505-Y509 WeakPolarHBondContact O-CB 3.42Å; L505-Y509 PolarHBondContact O-N 3.46Å; Y509-K513 VanDerWaalsContact O-CB 3.3Å; Y509-K513 WeakPolarHBondContact O-CB 3.38Å; Y509-K513 PolarHBondContact O-N 3.16Å |
| 510 | Q | 89.6 | Confident | 88.9 | Confident | 94 Ų | 94 | 100.8 Ų | 100.8 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.3 | -38.7 | 173.9 | -100 | 66.9 | -98.8 | 0 | 0 | 112.5 | Q506 A507 E508 K513 E514 | Q506-Q510 PolarHBondContact O-N 3.34Å; Q506-Q510 PolarHBondContact O-NE2 3.39Å; A507-Q510 WeakPolarHBondContact O-CB 3.46Å; A507-Q510 PolarHBondContact O-N 3.36Å; A507-Q510 VanDerWaalsContact O-N 3.17Å; E508-Q510 PolarHBondContact O-N 3.21Å; Q510-K513 PolarHBondContact O-N 3.13Å; Q510-E514 PolarHBondContact O-N 2.85Å |
| 511 | S | 89.7 | Confident | 88.6 | Confident | 66 Ų | 66 | 99.9 Ų | 99.9 | 46% | 0.462 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -56.8 | 175 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | A507 E508 K513 E514 E515 | A507-S511 PolarHBondContact O-N 3.15Å; E508-S511 WeakPolarHBondContact O-CB 3.41Å; E508-S511 PolarHBondContact O-N 3.48Å; E508-S511 VanDerWaalsContact O-N 3.07Å; S511-K513 PolarHBondContact O-N 3.34Å; S511-K513 VanDerWaalsContact O-N 3.07Å; S511-E514 PolarHBondContact O-N 2.87Å; S511-E515 WeakPolarHBondContact CB-OE1 2.9Å; S511-E515 WeakPolarHBondContact O-CG 3.43Å; S511-E515 PolarHBondContact O-N 2.81Å; S511-E515 PolarHBondContact OG-OE1 3.39Å |
| 512 | S | 87.2 | Confident | 88.4 | Confident | 60 Ų | 60 | 96.8 Ų | 96.8 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -21.5 | -177.8 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | E508 E515 V516 | E508-S512 PolarHBondContact O-N 3.03Å; S512-E515 PolarHBondContact N-OE1 3.25Å; S512-V516 WeakPolarHBondContact O-CB 3.26Å; S512-V516 VanDerWaalsContact O-CG2 3.23Å; S512-V516 WeakPolarHBondContact O-CG2 3.23Å; S512-V516 PolarHBondContact O-N 3.35Å; S512-V516 VanDerWaalsContact O-N 3.14Å |
| 513 | K | 88.8 | Confident | 88.2 | Confident | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.9 | -36.7 | 172.8 | -177 | -177 | 173 | -167 | 0 | 112.6 | Y509 Q510 S511 K517 | Y509-K513 VanDerWaalsContact O-CB 3.3Å; Y509-K513 WeakPolarHBondContact O-CB 3.38Å; Y509-K513 PolarHBondContact O-N 3.16Å; Q510-K513 PolarHBondContact O-N 3.13Å; S511-K513 PolarHBondContact O-N 3.34Å; S511-K513 VanDerWaalsContact O-N 3.07Å; K513-K517 PolarHBondContact O-N 3.13Å |
| 514 | E | 87 | Confident | 88 | Confident | 88 Ų | 88 | 99.6 Ų | 99.6 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.4 | -39.3 | 177 | -157.1 | 66.3 | -168 | 0 | 0 | 110.4 | Q510 S511 V516 K517 E518 | Q510-E514 PolarHBondContact O-N 2.85Å; S511-E514 PolarHBondContact O-N 2.87Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-V516 PolarHBondContact O-N 2.81Å; E514-K517 WeakPolarHBondContact O-CA 3.41Å; E514-K517 WeakPolarHBondContact O-CB 3.36Å; E514-K517 PolarHBondContact O-N 2.85Å; E514-K517 IonicContact OE1-NZ 2.65Å; E514-K517 PolarHBondContact OE1-NZ 3.14Å; E514-K517 IonicContact OE2-NZ 2.68Å; E514-E518 PolarHBondContact O-N 3.34Å |
| 515 | E | 85.9 | Confident | 87.7 | Confident | 93 Ų | 93 | 101.2 Ų | 101.2 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -53.6 | -47.1 | 170.4 | -66.9 | 156.2 | -140.7 | 0 | 0 | 111.9 | S511 S512 K517 E518 V519 | S511-E515 WeakPolarHBondContact CB-OE1 2.9Å; S511-E515 WeakPolarHBondContact O-CG 3.43Å; S511-E515 PolarHBondContact O-N 2.81Å; S511-E515 PolarHBondContact OG-OE1 3.39Å; S512-E515 PolarHBondContact N-OE1 3.25Å; E515-K517 VanDerWaalsContact C-N 3.27Å; E515-K517 PolarHBondContact O-N 3.38Å; E515-E518 PolarHBondContact O-N 2.87Å; E515-V519 WeakPolarHBondContact O-CG2 3.19Å; E515-V519 PolarHBondContact O-N 2.95Å |
| 516 | V | 88.1 | Confident | 87.5 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -31.6 | 176.3 | 164.9 | 0 | 0 | 0 | 0 | 112.5 | S512 E514 L520 | S512-V516 WeakPolarHBondContact O-CB 3.26Å; S512-V516 VanDerWaalsContact O-CG2 3.23Å; S512-V516 WeakPolarHBondContact O-CG2 3.23Å; S512-V516 PolarHBondContact O-N 3.35Å; S512-V516 VanDerWaalsContact O-N 3.14Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-V516 PolarHBondContact O-N 2.81Å; V516-L520 HydrophobicContact CG1-CD1 4.19Å; V516-L520 WeakPolarHBondContact O-CB 3.33Å; V516-L520 WeakPolarHBondContact O-CG 3.47Å; V516-L520 PolarHBondContact O-N 2.79Å |
| 517 | K | 87.7 | Confident | 87.4 | Confident | 106 Ų | 106 | 99.5 Ų | 99.5 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.1 | -40.6 | 177.7 | 176.1 | -173.5 | 156 | -142.9 | 0 | 111.5 | K513 E514 E515 L520 Q521 | K513-K517 PolarHBondContact O-N 3.13Å; E514-K517 WeakPolarHBondContact O-CA 3.41Å; E514-K517 WeakPolarHBondContact O-CB 3.36Å; E514-K517 PolarHBondContact O-N 2.85Å; E514-K517 IonicContact OE1-NZ 2.65Å; E514-K517 PolarHBondContact OE1-NZ 3.14Å; E514-K517 IonicContact OE2-NZ 2.68Å; E515-K517 VanDerWaalsContact C-N 3.27Å; E515-K517 PolarHBondContact O-N 3.38Å; K517-L520 PolarHBondContact O-N 3.15Å; K517-Q521 PolarHBondContact O-N 3.49Å |
| 518 | E | 87.1 | Confident | 87.4 | Confident | 131 Ų | 131 | 103 Ų | 103 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 172.2 | -68.9 | -176.3 | 173.1 | 0 | 0 | 111.4 | E514 E515 L520 Q521 A522 | E514-E518 PolarHBondContact O-N 3.34Å; E515-E518 PolarHBondContact O-N 2.87Å; E518-L520 VanDerWaalsContact C-N 3.35Å; E518-L520 PolarHBondContact O-N 3.22Å; E518-Q521 PolarHBondContact O-N 3.39Å; E518-A522 WeakPolarHBondContact O-CB 3.46Å; E518-A522 PolarHBondContact O-N 2.93Å |
| 519 | V | 86.6 | Confident | 87.2 | Confident | 90 Ų | 90 | 101.7 Ų | 101.7 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 112 | E515 L523 | E515-V519 WeakPolarHBondContact O-CG2 3.19Å; E515-V519 PolarHBondContact O-N 2.95Å; V519-L523 HydrophobicContact CG1-CD1 4.14Å; V519-L523 VanDerWaalsContact O-CG 3.3Å; V519-L523 WeakPolarHBondContact O-CG 3.34Å; V519-L523 PolarHBondContact O-N 3.46Å; V519-L523 VanDerWaalsContact O-N 3.08Å |
| 520 | L | 87.3 | Confident | 87.1 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 174.6 | -84 | 164.4 | 0 | 0 | 0 | 112.1 | V516 K517 E518 L523 E524 | V516-L520 HydrophobicContact CG1-CD1 4.19Å; V516-L520 WeakPolarHBondContact O-CB 3.33Å; V516-L520 WeakPolarHBondContact O-CG 3.47Å; V516-L520 PolarHBondContact O-N 2.79Å; K517-L520 PolarHBondContact O-N 3.15Å; E518-L520 VanDerWaalsContact C-N 3.35Å; E518-L520 PolarHBondContact O-N 3.22Å; L520-L523 PolarHBondContact O-N 3.34Å; L520-E524 PolarHBondContact O-N 3Å; L520-E524 VanDerWaalsContact O-N 3.1Å |
| 521 | Q | 84.5 | Confident | 87 | Confident | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 179.9 | -168.3 | 170.6 | -23.4 | 0 | 0 | 111.7 | K517 E518 L523 E524 E525 | K517-Q521 PolarHBondContact O-N 3.49Å; E518-Q521 PolarHBondContact O-N 3.39Å; Q521-L523 VanDerWaalsContact C-N 3.32Å; Q521-L523 PolarHBondContact O-N 2.65Å; Q521-E524 PolarHBondContact O-N 2.78Å; Q521-E525 PolarHBondContact O-N 3.28Å |
| 522 | A | 85.2 | Confident | 87 | Confident | 58 Ų | 58 | 105.9 Ų | 105.9 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -33.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | E518 L526 | E518-A522 WeakPolarHBondContact O-CB 3.46Å; E518-A522 PolarHBondContact O-N 2.93Å; A522-L526 VanDerWaalsContact O-CB 3.3Å; A522-L526 WeakPolarHBondContact O-CB 3.37Å; A522-L526 PolarHBondContact O-N 3Å |
| 523 | L | 86 | Confident | 87.1 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.2 | -34.3 | 174.1 | -74.9 | 168.3 | 0 | 0 | 0 | 112.6 | V519 L520 Q521 A527 | V519-L523 HydrophobicContact CG1-CD1 4.14Å; V519-L523 VanDerWaalsContact O-CG 3.3Å; V519-L523 WeakPolarHBondContact O-CG 3.34Å; V519-L523 PolarHBondContact O-N 3.46Å; V519-L523 VanDerWaalsContact O-N 3.08Å; L520-L523 PolarHBondContact O-N 3.34Å; Q521-L523 VanDerWaalsContact C-N 3.32Å; Q521-L523 PolarHBondContact O-N 2.65Å; L523-A527 WeakPolarHBondContact O-CB 3.49Å; L523-A527 PolarHBondContact O-N 3.34Å |
| 524 | E | 85.3 | Confident | 87 | Confident | 135 Ų | 135 | 103.7 Ų | 103.7 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.8 | -45 | 176.2 | -168.6 | 161.6 | -142.8 | 0 | 0 | 111.2 | L520 Q521 L526 A527 M528 | L520-E524 PolarHBondContact O-N 3Å; L520-E524 VanDerWaalsContact O-N 3.1Å; Q521-E524 PolarHBondContact O-N 2.78Å; E524-L526 VanDerWaalsContact C-N 3.35Å; E524-L526 PolarHBondContact O-N 3.12Å; E524-A527 PolarHBondContact O-N 2.98Å; E524-M528 WeakPolarHBondContact O-CG 3.46Å; E524-M528 PolarHBondContact O-N 2.89Å |
| 525 | E | 85.6 | Confident | 87.2 | Confident | 127 Ų | 127 | 106.4 Ų | 106.4 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -41.4 | 172.6 | -71.1 | -178.4 | -165 | 0 | 0 | 112.5 | Q521 M528 N529 | Q521-E525 PolarHBondContact O-N 3.28Å; E525-M528 PolarHBondContact O-N 2.61Å; E525-N529 PolarHBondContact O-N 3.48Å |
| 526 | L | 86.4 | Confident | 87.2 | Confident | 115 Ų | 115 | 106.4 Ų | 106.4 | 60% | 0.602 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | 176.9 | -177 | 62.9 | 0 | 0 | 0 | 112.3 | A522 E524 N529 Y530 | A522-L526 VanDerWaalsContact O-CB 3.3Å; A522-L526 WeakPolarHBondContact O-CB 3.37Å; A522-L526 PolarHBondContact O-N 3Å; E524-L526 VanDerWaalsContact C-N 3.35Å; E524-L526 PolarHBondContact O-N 3.12Å; L526-N529 PolarHBondContact O-N 2.74Å; L526-Y530 PolarHBondContact O-N 3.09Å |
| 527 | A | 85.5 | Confident | 87.2 | Confident | 58 Ų | 58 | 107.9 Ų | 107.9 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L523 E524 N529 Y530 D531 | L523-A527 WeakPolarHBondContact O-CB 3.49Å; L523-A527 PolarHBondContact O-N 3.34Å; E524-A527 PolarHBondContact O-N 2.98Å; A527-N529 VanDerWaalsContact C-N 3.3Å; A527-N529 PolarHBondContact O-N 3.19Å; A527-Y530 PolarHBondContact O-N 3.08Å; A527-D531 PolarHBondContact O-N 2.99Å; A527-D531 VanDerWaalsContact O-N 3.14Å |
| 528 | M | 89.6 | Confident | 87.3 | Confident | 138 Ų | 138 | 105.9 Ų | 105.9 | 68% | 0.68 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.4 | -38.4 | 175.3 | -67.3 | -174.8 | 73 | 0 | 0 | 112.2 | E524 E525 Q532 | E524-M528 WeakPolarHBondContact O-CG 3.46Å; E524-M528 PolarHBondContact O-N 2.89Å; E525-M528 PolarHBondContact O-N 2.61Å; M528-Q532 PolarHBondContact O-N 3.18Å; M528-Q532 VanDerWaalsContact O-N 3.15Å |
| 529 | N | 86.3 | Confident | 87.4 | Confident | 85 Ų | 85 | 102.8 Ų | 102.8 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.2 | -154.5 | -76.5 | 0 | 0 | 0 | 112 | E525 L526 A527 Q532 K533 | E525-N529 PolarHBondContact O-N 3.48Å; L526-N529 PolarHBondContact O-N 2.74Å; A527-N529 VanDerWaalsContact C-N 3.3Å; A527-N529 PolarHBondContact O-N 3.19Å; N529-Q532 PolarHBondContact O-N 3.12Å; N529-K533 WeakPolarHBondContact O-CB 3.22Å; N529-K533 WeakPolarHBondContact O-CG 3.48Å; N529-K533 PolarHBondContact O-N 2.94Å |
| 530 | Y | 90 | Very high | 87.4 | Confident | 168 Ų | 168 | 103.4 Ų | 103.4 | 66% | 0.659 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 178.3 | -174.4 | -86.2 | 0 | 0 | 0 | 112.2 | L526 A527 Q532 K533 A534 | L526-Y530 PolarHBondContact O-N 3.09Å; A527-Y530 PolarHBondContact O-N 3.08Å; Y530-Q532 PolarHBondContact O-N 3.27Å; Y530-K533 PolarHBondContact O-N 3.47Å; Y530-A534 PolarHBondContact O-N 3.27Å |
| 531 | D | 88.4 | Confident | 87.5 | Confident | 107 Ų | 107 | 100.9 Ų | 100.9 | 57% | 0.572 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 177.3 | -83.6 | -6.4 | 0 | 0 | 0 | 112.1 | A527 A534 Q535 | A527-D531 PolarHBondContact O-N 2.99Å; A527-D531 VanDerWaalsContact O-N 3.14Å; D531-A534 PolarHBondContact O-N 2.95Å; D531-Q535 WeakPolarHBondContact O-CG 3.27Å; D531-Q535 PolarHBondContact O-N 3.32Å |
| 532 | Q | 88.2 | Confident | 87.9 | Confident | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -42.7 | 173.4 | -170.4 | 177.3 | 21.5 | 0 | 0 | 111.6 | M528 N529 Y530 Q535 E536 | M528-Q532 PolarHBondContact O-N 3.18Å; M528-Q532 VanDerWaalsContact O-N 3.15Å; N529-Q532 PolarHBondContact O-N 3.12Å; Y530-Q532 PolarHBondContact O-N 3.27Å; Q532-Q535 PolarHBondContact O-N 2.87Å; Q532-E536 PolarHBondContact O-N 3.24Å; Q532-E536 VanDerWaalsContact O-N 3.08Å |
| 533 | K | 88.7 | Confident | 88.1 | Confident | 95 Ų | 95 | 103.1 Ų | 103.1 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.1 | -34.3 | 177.2 | -73.6 | -72.6 | 163.8 | -163.1 | 0 | 112.9 | N529 Y530 Q535 E536 I537 | N529-K533 WeakPolarHBondContact O-CB 3.22Å; N529-K533 WeakPolarHBondContact O-CG 3.48Å; N529-K533 PolarHBondContact O-N 2.94Å; Y530-K533 PolarHBondContact O-N 3.47Å; K533-Q535 VanDerWaalsContact C-N 3.33Å; K533-Q535 PolarHBondContact O-N 3.03Å; K533-E536 WeakPolarHBondContact CD-OE2 3.4Å; K533-E536 WeakPolarHBondContact CE-OE2 3.29Å; K533-E536 IonicContact NZ-OE1 3.09Å; K533-E536 IonicContact NZ-OE2 2.78Å; K533-E536 PolarHBondContact NZ-OE2 3.28Å; K533-E536 PolarHBondContact O-N 3.32Å; K533-I537 WeakPolarHBondContact O-CB 3.19Å; K533-I537 WeakPolarHBondContact O-CD1 3.49Å; K533-I537 VanDerWaalsContact O-CG1 3.26Å; K533-I537 WeakPolarHBondContact O-CG1 3.43Å; K533-I537 PolarHBondContact O-N 2.91Å |
| 534 | A | 88.3 | Confident | 88 | Confident | 46 Ų | 46 | 104 Ų | 104 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y530 D531 A538 | Y530-A534 PolarHBondContact O-N 3.27Å; D531-A534 PolarHBondContact O-N 2.95Å; A534-A538 PolarHBondContact O-N 2.89Å; A534-A538 VanDerWaalsContact O-N 3.13Å |
| 535 | Q | 89.6 | Confident | 88.2 | Confident | 144 Ų | 144 | 104.3 Ų | 104.3 | 67% | 0.673 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 174.8 | -66.8 | 178.1 | 18.4 | 0 | 0 | 112.4 | D531 Q532 K533 A538 S539 | D531-Q535 WeakPolarHBondContact O-CG 3.27Å; D531-Q535 PolarHBondContact O-N 3.32Å; Q532-Q535 PolarHBondContact O-N 2.87Å; K533-Q535 VanDerWaalsContact C-N 3.33Å; K533-Q535 PolarHBondContact O-N 3.03Å; Q535-A538 PolarHBondContact O-N 2.92Å; Q535-S539 PolarHBondContact O-N 2.82Å |
| 536 | E | 87.4 | Confident | 88.5 | Confident | 93 Ų | 93 | 102.9 Ų | 102.9 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.8 | -170.2 | 179.3 | 174.8 | 0 | 0 | 112 | Q532 K533 A538 S539 K540 | Q532-E536 PolarHBondContact O-N 3.24Å; Q532-E536 VanDerWaalsContact O-N 3.08Å; K533-E536 WeakPolarHBondContact CD-OE2 3.4Å; K533-E536 WeakPolarHBondContact CE-OE2 3.29Å; K533-E536 IonicContact NZ-OE1 3.09Å; K533-E536 IonicContact NZ-OE2 2.78Å; K533-E536 PolarHBondContact NZ-OE2 3.28Å; K533-E536 PolarHBondContact O-N 3.32Å; E536-A538 VanDerWaalsContact C-N 3.34Å; E536-A538 PolarHBondContact O-N 2.86Å; E536-S539 PolarHBondContact O-N 3.22Å; E536-K540 WeakPolarHBondContact O-CG 3.31Å; E536-K540 PolarHBondContact O-N 2.86Å |
| 537 | I | 88 | Confident | 88.5 | Confident | 120 Ų | 120 | 101.9 Ų | 101.9 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 174.2 | -69.7 | 164.7 | 0 | 0 | 0 | 111 | K533 S539 K540 A541 | K533-I537 WeakPolarHBondContact O-CB 3.19Å; K533-I537 WeakPolarHBondContact O-CD1 3.49Å; K533-I537 VanDerWaalsContact O-CG1 3.26Å; K533-I537 WeakPolarHBondContact O-CG1 3.43Å; K533-I537 PolarHBondContact O-N 2.91Å; I537-S539 PolarHBondContact O-N 3.11Å; I537-K540 PolarHBondContact O-N 3.09Å; I537-A541 WeakPolarHBondContact O-CB 3.35Å; I537-A541 PolarHBondContact O-N 2.71Å |
| 538 | A | 89.4 | Confident | 88.6 | Confident | 65 Ų | 65 | 105.2 Ų | 105.2 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A534 Q535 E536 K542 | A534-A538 PolarHBondContact O-N 2.89Å; A534-A538 VanDerWaalsContact O-N 3.13Å; Q535-A538 PolarHBondContact O-N 2.92Å; E536-A538 VanDerWaalsContact C-N 3.34Å; E536-A538 PolarHBondContact O-N 2.86Å; A538-K542 PolarHBondContact O-N 2.87Å |
| 539 | S | 89.2 | Confident | 88.6 | Confident | 66 Ų | 66 | 103.9 Ų | 103.9 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 172.4 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | Q535 E536 I537 A541 K542 E543 | Q535-S539 PolarHBondContact O-N 2.82Å; E536-S539 PolarHBondContact O-N 3.22Å; I537-S539 PolarHBondContact O-N 3.11Å; S539-A541 PolarHBondContact O-N 2.87Å; S539-K542 PolarHBondContact O-N 2.68Å; S539-E543 WeakPolarHBondContact O-CG 3.36Å; S539-E543 PolarHBondContact O-N 2.97Å; S539-E543 VanDerWaalsContact O-N 3.09Å; S539-E543 PolarHBondContact OG-OE1 3.29Å |
| 540 | K | 87.4 | Confident | 88.7 | Confident | 102 Ų | 102 | 103 Ų | 103 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.6 | -32.6 | -177 | -70.8 | -76.5 | 168.9 | -108.9 | 0 | 113.2 | E536 I537 K542 E543 L544 | E536-K540 WeakPolarHBondContact O-CG 3.31Å; E536-K540 PolarHBondContact O-N 2.86Å; I537-K540 PolarHBondContact O-N 3.09Å; K540-K542 VanDerWaalsContact C-N 3.32Å; K540-K542 PolarHBondContact O-N 3.41Å; K540-E543 IonicContact NZ-OE1 3.6Å; K540-E543 PolarHBondContact NZ-OE1 3.47Å; K540-E543 IonicContact NZ-OE2 2.72Å; K540-E543 PolarHBondContact NZ-OE2 3.44Å; K540-E543 PolarHBondContact O-N 3.16Å; K540-L544 WeakPolarHBondContact O-CG 3.39Å; K540-L544 PolarHBondContact O-N 3.08Å; K540-L544 VanDerWaalsContact O-N 3.08Å |
| 541 | A | 88.1 | Confident | 88.5 | Confident | 57 Ų | 57 | 100.3 Ų | 100.3 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I537 S539 L544 E545 | I537-A541 WeakPolarHBondContact O-CB 3.35Å; I537-A541 PolarHBondContact O-N 2.71Å; S539-A541 PolarHBondContact O-N 2.87Å; A541-L544 PolarHBondContact O-N 3.28Å; A541-E545 PolarHBondContact O-N 3.34Å |
| 542 | K | 92.5 | Very high | 88.6 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -44.4 | 176.5 | -170.1 | -173.2 | 174 | -169.3 | 0 | 112.3 | A538 S539 K540 L544 E545 D546 | A538-K542 PolarHBondContact O-N 2.87Å; S539-K542 PolarHBondContact O-N 2.68Å; K540-K542 VanDerWaalsContact C-N 3.32Å; K540-K542 PolarHBondContact O-N 3.41Å; K542-L544 PolarHBondContact O-N 3.43Å; K542-E545 PolarHBondContact O-N 3.33Å; K542-E545 VanDerWaalsContact O-N 3.09Å; K542-D546 PolarHBondContact O-N 2.98Å; K542-D546 VanDerWaalsContact O-N 3.1Å |
| 543 | E | 89.5 | Confident | 88.7 | Confident | 82 Ų | 82 | 98.1 Ų | 98.1 | 38% | 0.383 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -35.8 | 176.5 | -69.4 | 168.4 | -128.4 | 0 | 0 | 112.2 | S539 K540 V547 | S539-E543 WeakPolarHBondContact O-CG 3.36Å; S539-E543 PolarHBondContact O-N 2.97Å; S539-E543 VanDerWaalsContact O-N 3.09Å; S539-E543 PolarHBondContact OG-OE1 3.29Å; K540-E543 IonicContact NZ-OE1 3.6Å; K540-E543 PolarHBondContact NZ-OE1 3.47Å; K540-E543 IonicContact NZ-OE2 2.72Å; K540-E543 PolarHBondContact NZ-OE2 3.44Å; K540-E543 PolarHBondContact O-N 3.16Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.42Å; E543-V547 PolarHBondContact O-N 3.1Å |
| 544 | L | 85.1 | Confident | 88.6 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.3 | -38 | 174.8 | -76.2 | 166.2 | 0 | 0 | 0 | 112.9 | K540 A541 K542 V547 Q548 | K540-L544 WeakPolarHBondContact O-CG 3.39Å; K540-L544 PolarHBondContact O-N 3.08Å; K540-L544 VanDerWaalsContact O-N 3.08Å; A541-L544 PolarHBondContact O-N 3.28Å; K542-L544 PolarHBondContact O-N 3.43Å; L544-V547 PolarHBondContact O-N 3.18Å; L544-Q548 WeakPolarHBondContact O-CB 3.18Å; L544-Q548 PolarHBondContact O-N 3.08Å |
| 545 | E | 89.7 | Confident | 88.6 | Confident | 141 Ų | 141 | 99.4 Ų | 99.4 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 177.9 | -167.3 | 167.9 | -149.6 | 0 | 0 | 111.4 | A541 K542 V547 Q548 E549 | A541-E545 PolarHBondContact O-N 3.34Å; K542-E545 PolarHBondContact O-N 3.33Å; K542-E545 VanDerWaalsContact O-N 3.09Å; E545-V547 PolarHBondContact O-N 3.36Å; E545-Q548 PolarHBondContact O-N 3.05Å; E545-E549 PolarHBondContact O-N 3.29Å |
| 546 | D | 90.5 | Very high | 88.6 | Confident | 96 Ų | 96 | 101 Ų | 101 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.1 | -70.4 | -34.2 | 0 | 0 | 0 | 111.7 | K542 S550 | K542-D546 PolarHBondContact O-N 2.98Å; K542-D546 VanDerWaalsContact O-N 3.1Å; D546-S550 PolarHBondContact O-N 3.48Å |
| 547 | V | 86.1 | Confident | 88.7 | Confident | 95 Ų | 95 | 101.2 Ų | 101.2 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | 176.5 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | E543 L544 E545 E549 S550 L551 | E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.42Å; E543-V547 PolarHBondContact O-N 3.1Å; L544-V547 PolarHBondContact O-N 3.18Å; E545-V547 PolarHBondContact O-N 3.36Å; V547-E549 PolarHBondContact O-N 3.48Å; V547-S550 WeakPolarHBondContact O-CB 3.43Å; V547-S550 PolarHBondContact O-N 3.23Å; V547-L551 PolarHBondContact O-N 3.44Å |
| 548 | Q | 88.4 | Confident | 88.8 | Confident | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | 178.3 | -176.4 | 173.7 | -23.1 | 0 | 0 | 111.9 | L544 E545 S550 L551 L552 | L544-Q548 WeakPolarHBondContact O-CB 3.18Å; L544-Q548 PolarHBondContact O-N 3.08Å; E545-Q548 PolarHBondContact O-N 3.05Å; Q548-S550 VanDerWaalsContact C-N 3.32Å; Q548-S550 PolarHBondContact O-N 3.47Å; Q548-L551 PolarHBondContact O-N 3.48Å; Q548-L552 HydrophobicContact CG-CD1 4.4Å; Q548-L552 WeakPolarHBondContact O-CB 3.42Å; Q548-L552 WeakPolarHBondContact O-CG 3.11Å; Q548-L552 PolarHBondContact O-N 3.01Å |
| 549 | E | 90.5 | Very high | 88.8 | Confident | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | 174.7 | -147.5 | -138.7 | 145.7 | 0 | 0 | 112 | E545 V547 K553 | E545-E549 PolarHBondContact O-N 3.29Å; V547-E549 PolarHBondContact O-N 3.48Å; E549-K553 WeakPolarHBondContact O-CD 3.5Å; E549-K553 WeakPolarHBondContact O-CG 3.42Å; E549-K553 PolarHBondContact O-N 2.97Å; E549-K553 WeakPolarHBondContact OE1-CE 3.48Å; E549-K553 IonicContact OE1-NZ 2.97Å; E549-K553 PolarHBondContact OE1-NZ 2.96Å; E549-K553 IonicContact OE2-NZ 2.63Å; E549-K553 PolarHBondContact OE2-NZ 3.13Å |
| 550 | S | 88.2 | Confident | 88.8 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 174.5 | -168 | 0 | 0 | 0 | 0 | 112.4 | D546 V547 Q548 L552 K553 Q554 | D546-S550 PolarHBondContact O-N 3.48Å; V547-S550 WeakPolarHBondContact O-CB 3.43Å; V547-S550 PolarHBondContact O-N 3.23Å; Q548-S550 VanDerWaalsContact C-N 3.32Å; Q548-S550 PolarHBondContact O-N 3.47Å; S550-L552 VanDerWaalsContact C-N 3.33Å; S550-L552 PolarHBondContact O-N 3.01Å; S550-K553 WeakPolarHBondContact O-CB 3.47Å; S550-K553 PolarHBondContact O-N 3.01Å; S550-Q554 PolarHBondContact O-N 2.77Å; S550-Q554 VanDerWaalsContact O-N 3.13Å |
| 551 | L | 86.1 | Confident | 88.8 | Confident | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -43.7 | 175.9 | -177.7 | 61.7 | 0 | 0 | 0 | 111.5 | V547 Q548 K553 Q554 T555 | V547-L551 PolarHBondContact O-N 3.44Å; Q548-L551 PolarHBondContact O-N 3.48Å; L551-K553 PolarHBondContact O-N 2.93Å; L551-Q554 PolarHBondContact O-N 3.25Å; L551-Q554 VanDerWaalsContact O-N 3.16Å; L551-T555 PolarHBondContact O-N 3.26Å; L551-T555 PolarHBondContact O-OG1 3.48Å; L551-T555 VanDerWaalsContact O-OG1 3.14Å |
| 552 | L | 90.5 | Very high | 88.7 | Confident | 85 Ų | 85 | 104.6 Ų | 104.6 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -19.4 | 176.3 | -74.3 | 171.4 | 0 | 0 | 0 | 114.1 | Q548 S550 R556 | Q548-L552 HydrophobicContact CG-CD1 4.4Å; Q548-L552 WeakPolarHBondContact O-CB 3.42Å; Q548-L552 WeakPolarHBondContact O-CG 3.11Å; Q548-L552 PolarHBondContact O-N 3.01Å; S550-L552 VanDerWaalsContact C-N 3.33Å; S550-L552 PolarHBondContact O-N 3.01Å; L552-R556 WeakPolarHBondContact O-CG 3.48Å; L552-R556 PolarHBondContact O-NE 2.89Å |
| 553 | K | 89.7 | Confident | 88.4 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 45% | 0.452 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.2 | -44.8 | 171.3 | -68.5 | 159.4 | -172.8 | 163.9 | 0 | 110.7 | E549 S550 L551 R556 L557 | E549-K553 WeakPolarHBondContact O-CD 3.5Å; E549-K553 WeakPolarHBondContact O-CG 3.42Å; E549-K553 PolarHBondContact O-N 2.97Å; E549-K553 WeakPolarHBondContact OE1-CE 3.48Å; E549-K553 IonicContact OE1-NZ 2.97Å; E549-K553 PolarHBondContact OE1-NZ 2.96Å; E549-K553 IonicContact OE2-NZ 2.63Å; E549-K553 PolarHBondContact OE2-NZ 3.13Å; S550-K553 WeakPolarHBondContact O-CB 3.47Å; S550-K553 PolarHBondContact O-N 3.01Å; L551-K553 PolarHBondContact O-N 2.93Å; K553-R556 PolarHBondContact O-N 3.43Å; K553-L557 PolarHBondContact O-N 3.24Å |
| 554 | Q | 86.1 | Confident | 88.3 | Confident | 117 Ų | 117 | 100.1 Ų | 100.1 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176.5 | -74.4 | -67.6 | -5 | 0 | 0 | 112.7 | S550 L551 R556 L557 M558 | S550-Q554 PolarHBondContact O-N 2.77Å; S550-Q554 VanDerWaalsContact O-N 3.13Å; L551-Q554 PolarHBondContact O-N 3.25Å; L551-Q554 VanDerWaalsContact O-N 3.16Å; Q554-R556 VanDerWaalsContact C-N 3.25Å; Q554-R556 PolarHBondContact O-N 2.81Å; Q554-L557 WeakPolarHBondContact O-CB 3.26Å; Q554-L557 PolarHBondContact O-N 3.39Å; Q554-M558 PolarHBondContact O-N 3.49Å |
| 555 | T | 87.7 | Confident | 88.2 | Confident | 52 Ų | 52 | 97.9 Ų | 97.9 | 32% | 0.319 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -36.4 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | L551 M558 H559 | L551-T555 PolarHBondContact O-N 3.26Å; L551-T555 PolarHBondContact O-OG1 3.48Å; L551-T555 VanDerWaalsContact O-OG1 3.14Å; T555-M558 HydrophobicContact CG2-CE 4.31Å; T555-H559 PolarHBondContact O-N 2.86Å; T555-H559 PolarHBondContact O-ND1 2.89Å |
| 556 | R | 90.7 | Very high | 88 | Confident | 176 Ų | 176 | 94.2 Ų | 94.2 | 66% | 0.664 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.9 | -38.9 | 176.5 | -64.1 | 173.5 | -147.5 | -174.4 | 2.7 | 112.3 | L552 K553 Q554 S560 | L552-R556 WeakPolarHBondContact O-CG 3.48Å; L552-R556 PolarHBondContact O-NE 2.89Å; K553-R556 PolarHBondContact O-N 3.43Å; Q554-R556 VanDerWaalsContact C-N 3.25Å; Q554-R556 PolarHBondContact O-N 2.81Å; R556-S560 PolarHBondContact O-N 3.49Å |
| 557 | L | 90.6 | Very high | 87.8 | Confident | 98 Ų | 98 | 96 Ų | 96 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178 | -176.1 | 63.5 | 0 | 0 | 0 | 111.4 | K553 Q554 S560 K561 | K553-L557 PolarHBondContact O-N 3.24Å; Q554-L557 WeakPolarHBondContact O-CB 3.26Å; Q554-L557 PolarHBondContact O-N 3.39Å; L557-S560 WeakPolarHBondContact O-CB 3.31Å; L557-S560 PolarHBondContact O-N 3.4Å; L557-K561 PolarHBondContact O-N 3.21Å |
| 558 | M | 89 | Confident | 87.8 | Confident | 94 Ų | 94 | 97 Ų | 97 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175 | 171.2 | -88.8 | -81.4 | 0 | 0 | 112 | Q554 T555 S560 K561 D562 | Q554-M558 PolarHBondContact O-N 3.49Å; T555-M558 HydrophobicContact CG2-CE 4.31Å; M558-S560 PolarHBondContact O-N 3.49Å; M558-K561 PolarHBondContact O-N 2.8Å; M558-D562 PolarHBondContact O-N 3.13Å |
| 559 | H | 90.3 | Very high | 87.7 | Confident | 120 Ų | 120 | 95.9 Ų | 95.9 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -32.6 | 177.9 | -76.9 | 71.9 | 0 | 0 | 0 | 113 | T555 G563 | T555-H559 PolarHBondContact O-N 2.86Å; T555-H559 PolarHBondContact O-ND1 2.89Å; H559-G563 PolarHBondContact O-N 3.22Å |
| 560 | S | 87.7 | Confident | 87.5 | Confident | 66 Ų | 66 | 94.6 Ų | 94.6 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 172.7 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | R556 L557 M558 G563 E564 | R556-S560 PolarHBondContact O-N 3.49Å; L557-S560 WeakPolarHBondContact O-CB 3.31Å; L557-S560 PolarHBondContact O-N 3.4Å; M558-S560 PolarHBondContact O-N 3.49Å; S560-G563 PolarHBondContact O-N 3.15Å; S560-E564 PolarHBondContact O-N 3.01Å; S560-E564 VanDerWaalsContact O-N 3.15Å; S560-E564 PolarHBondContact OG-OE1 2.88Å |
| 561 | K | 87.5 | Confident | 87.4 | Confident | 111 Ų | 111 | 95 Ų | 95 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75 | -32.4 | -176.2 | -68.6 | -69.6 | 168.5 | -134.8 | 0 | 113.4 | L557 M558 G563 E564 L565 | L557-K561 PolarHBondContact O-N 3.21Å; M558-K561 PolarHBondContact O-N 2.8Å; K561-G563 VanDerWaalsContact C-N 3.32Å; K561-E564 IonicContact NZ-OE1 2.65Å; K561-E564 PolarHBondContact NZ-OE1 3.36Å; K561-E564 IonicContact NZ-OE2 2.64Å; K561-E564 PolarHBondContact NZ-OE2 3.36Å; K561-E564 PolarHBondContact O-N 2.86Å; K561-L565 WeakPolarHBondContact O-CB 3.02Å; K561-L565 PolarHBondContact O-N 3.48Å |
| 562 | D | 86.3 | Confident | 87.4 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 169.7 | -87.3 | -37.6 | 0 | 0 | 0 | 112.2 | M558 L565 S566 | M558-D562 PolarHBondContact O-N 3.13Å; D562-L565 PolarHBondContact O-N 3.44Å; D562-S566 PolarHBondContact O-N 2.85Å |
| 563 | G | 85.8 | Confident | 87.1 | Confident | 32 Ų | 32 | 97.5 Ų | 97.5 | 33% | 0.33 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H559 S560 K561 S566 Q567 | H559-G563 PolarHBondContact O-N 3.22Å; S560-G563 PolarHBondContact O-N 3.15Å; K561-G563 VanDerWaalsContact C-N 3.32Å; G563-S566 PolarHBondContact O-N 2.81Å; G563-Q567 WeakPolarHBondContact O-CG 3.46Å; G563-Q567 PolarHBondContact O-N 3.43Å |
| 564 | E | 87.6 | Confident | 87 | Confident | 87 Ų | 87 | 97.5 Ų | 97.5 | 41% | 0.407 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 173.9 | -68.9 | 166.9 | -130.6 | 0 | 0 | 111.9 | S560 K561 S566 Q567 L568 | S560-E564 PolarHBondContact O-N 3.01Å; S560-E564 VanDerWaalsContact O-N 3.15Å; S560-E564 PolarHBondContact OG-OE1 2.88Å; K561-E564 IonicContact NZ-OE1 2.65Å; K561-E564 PolarHBondContact NZ-OE1 3.36Å; K561-E564 IonicContact NZ-OE2 2.64Å; K561-E564 PolarHBondContact NZ-OE2 3.36Å; K561-E564 PolarHBondContact O-N 2.86Å; E564-S566 PolarHBondContact O-N 2.76Å; E564-Q567 PolarHBondContact O-N 2.67Å; E564-L568 PolarHBondContact O-N 2.81Å |
| 565 | L | 83.7 | Confident | 86.8 | Confident | 75 Ų | 75 | 96.7 Ų | 96.7 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -34.6 | -178.8 | -178.3 | 60.4 | 0 | 0 | 0 | 112.9 | K561 D562 K569 | K561-L565 WeakPolarHBondContact O-CB 3.02Å; K561-L565 PolarHBondContact O-N 3.48Å; D562-L565 PolarHBondContact O-N 3.44Å; L565-K569 HydrophobicContact CG-CD 4.47Å; L565-K569 WeakPolarHBondContact O-CG 3.5Å; L565-K569 PolarHBondContact O-N 3.45Å; L565-K569 VanDerWaalsContact O-N 3.11Å |
| 566 | S | 86.1 | Confident | 86.4 | Confident | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -48.6 | 174.4 | -160.6 | 0 | 0 | 0 | 0 | 111 | D562 G563 E564 L568 K569 D570 | D562-S566 PolarHBondContact O-N 2.85Å; G563-S566 PolarHBondContact O-N 2.81Å; E564-S566 PolarHBondContact O-N 2.76Å; S566-L568 VanDerWaalsContact C-N 3.25Å; S566-L568 PolarHBondContact O-N 3.18Å; S566-K569 WeakPolarHBondContact O-CB 3.39Å; S566-K569 PolarHBondContact O-N 2.86Å; S566-D570 PolarHBondContact O-N 2.99Å |
| 567 | Q | 84.3 | Confident | 86 | Confident | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60 | -35.8 | 178.3 | -65.3 | 173.1 | 24.1 | 0 | 0 | 112.1 | G563 E564 T571 | G563-Q567 WeakPolarHBondContact O-CG 3.46Å; G563-Q567 PolarHBondContact O-N 3.43Å; E564-Q567 PolarHBondContact O-N 2.67Å; Q567-T571 WeakPolarHBondContact O-CB 3.26Å; Q567-T571 WeakPolarHBondContact O-CG2 3.45Å; Q567-T571 PolarHBondContact O-N 3.37Å; Q567-T571 VanDerWaalsContact O-N 3.07Å; Q567-T571 PolarHBondContact O-OG1 2.99Å |
| 568 | L | 87.6 | Confident | 85.6 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -35.6 | 175.3 | -170.5 | 61.9 | 0 | 0 | 0 | 112.8 | E564 S566 T571 H572 | E564-L568 PolarHBondContact O-N 2.81Å; S566-L568 VanDerWaalsContact C-N 3.25Å; S566-L568 PolarHBondContact O-N 3.18Å; L568-T571 WeakPolarHBondContact CA-OG1 3.39Å; L568-T571 PolarHBondContact O-OG1 2.95Å; L568-T571 VanDerWaalsContact O-OG1 3.09Å; L568-H572 WeakPolarHBondContact O-CB 3.49Å; L568-H572 PolarHBondContact O-N 2.91Å |
| 569 | K | 85.4 | Confident | 85.2 | Confident | 104 Ų | 104 | 103 Ų | 103 | 45% | 0.452 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 175.1 | -75 | 170.6 | 179 | 174.4 | 0 | 111.7 | L565 S566 T571 H572 Q573 | L565-K569 HydrophobicContact CG-CD 4.47Å; L565-K569 WeakPolarHBondContact O-CG 3.5Å; L565-K569 PolarHBondContact O-N 3.45Å; L565-K569 VanDerWaalsContact O-N 3.11Å; S566-K569 WeakPolarHBondContact O-CB 3.39Å; S566-K569 PolarHBondContact O-N 2.86Å; K569-T571 PolarHBondContact O-N 3.32Å; K569-H572 PolarHBondContact O-N 3.42Å; K569-Q573 PolarHBondContact O-N 3.09Å |
| 570 | D | 86.7 | Confident | 84.6 | Confident | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | -179.6 | -61.1 | -29.9 | 0 | 0 | 0 | 111.5 | S566 N574 | S566-D570 PolarHBondContact O-N 2.99Å; D570-N574 PolarHBondContact O-N 2.98Å; D570-N574 PolarHBondContact O-ND2 2.95Å |
| 571 | T | 85 | Confident | 84.2 | Confident | 77 Ų | 77 | 103 Ų | 103 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 174.5 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | Q567 L568 K569 N574 Q575 | Q567-T571 WeakPolarHBondContact O-CB 3.26Å; Q567-T571 WeakPolarHBondContact O-CG2 3.45Å; Q567-T571 PolarHBondContact O-N 3.37Å; Q567-T571 VanDerWaalsContact O-N 3.07Å; Q567-T571 PolarHBondContact O-OG1 2.99Å; L568-T571 WeakPolarHBondContact CA-OG1 3.39Å; L568-T571 PolarHBondContact O-OG1 2.95Å; L568-T571 VanDerWaalsContact O-OG1 3.09Å; K569-T571 PolarHBondContact O-N 3.32Å; T571-N574 PolarHBondContact O-N 3.27Å; T571-Q575 WeakPolarHBondContact O-CG 3.36Å; T571-Q575 PolarHBondContact O-N 3.31Å |
| 572 | H | 87 | Confident | 83.8 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 175 | 179.3 | 69.6 | 0 | 0 | 0 | 113.1 | L568 K569 N574 Q575 K576 | L568-H572 WeakPolarHBondContact O-CB 3.49Å; L568-H572 PolarHBondContact O-N 2.91Å; K569-H572 PolarHBondContact O-N 3.42Å; H572-N574 VanDerWaalsContact C-N 3.31Å; H572-N574 PolarHBondContact O-N 2.82Å; H572-Q575 WeakPolarHBondContact O-CB 3.43Å; H572-Q575 PolarHBondContact O-N 3.31Å; H572-Q575 VanDerWaalsContact O-N 3.14Å; H572-K576 PolarHBondContact O-N 2.58Å |
| 573 | Q | 84.9 | Confident | 83.4 | Confident | 134 Ų | 134 | 102.1 Ų | 102.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 175.8 | -70.8 | -172.6 | 10.6 | 0 | 0 | 111.8 | K569 Q575 K576 K577 | K569-Q573 PolarHBondContact O-N 3.09Å; Q573-Q575 VanDerWaalsContact C-N 3.3Å; Q573-Q575 PolarHBondContact O-N 2.99Å; Q573-K576 PolarHBondContact O-N 2.76Å; Q573-K577 PolarHBondContact O-N 2.63Å; Q573-K577 VanDerWaalsContact O-N 3.15Å |
| 574 | N | 86.5 | Confident | 83 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -29.9 | 175.4 | -80.3 | -70.1 | 0 | 0 | 0 | 113.3 | D570 T571 H572 K578 | D570-N574 PolarHBondContact O-N 2.98Å; D570-N574 PolarHBondContact O-ND2 2.95Å; T571-N574 PolarHBondContact O-N 3.27Å; H572-N574 VanDerWaalsContact C-N 3.31Å; H572-N574 PolarHBondContact O-N 2.82Å; N574-K578 WeakPolarHBondContact O-CG 3.47Å |
| 575 | Q | 82.5 | Confident | 82.6 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.6 | -47.3 | 170.1 | -73.8 | 175.1 | -7.1 | 0 | 0 | 111.6 | T571 H572 Q573 K577 K578 Y579 | T571-Q575 WeakPolarHBondContact O-CG 3.36Å; T571-Q575 PolarHBondContact O-N 3.31Å; H572-Q575 WeakPolarHBondContact O-CB 3.43Å; H572-Q575 PolarHBondContact O-N 3.31Å; H572-Q575 VanDerWaalsContact O-N 3.14Å; Q573-Q575 VanDerWaalsContact C-N 3.3Å; Q573-Q575 PolarHBondContact O-N 2.99Å; Q575-K577 VanDerWaalsContact C-N 3.31Å; Q575-K577 PolarHBondContact O-N 2.7Å; Q575-K578 PolarHBondContact O-N 3.28Å; Q575-K578 VanDerWaalsContact O-N 3.1Å; Q575-Y579 HydrophobicContact CB-CD2 4.36Å; Q575-Y579 HydrophobicContact CB-CE2 4.02Å; Q575-Y579 WeakPolarHBondContact O-CD2 3.15Å; Q575-Y579 PolarHBondContact O-N 3.46Å |
| 576 | K | 80.1 | Confident | 82.5 | Confident | 141 Ų | 141 | 103.2 Ų | 103.2 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -54.6 | -46.1 | -179.6 | -174 | 176.1 | -179.6 | 179.3 | 0 | 111.7 | H572 Q573 K578 Y579 T580 | H572-K576 PolarHBondContact O-N 2.58Å; Q573-K576 PolarHBondContact O-N 2.76Å; K576-K578 PolarHBondContact O-N 3.26Å; K576-Y579 PolarHBondContact O-N 3.06Å; K576-T580 PolarHBondContact O-N 2.86Å; K576-T580 PolarHBondContact O-OG1 2.89Å |
| 577 | K | 80.8 | Confident | 82.1 | Confident | 130 Ų | 130 | 101.9 Ų | 101.9 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.8 | -47.6 | 176.6 | -180 | 171.3 | 172.1 | 174.8 | 0 | 112.5 | Q573 Q575 Y579 T580 E581 | Q573-K577 PolarHBondContact O-N 2.63Å; Q573-K577 VanDerWaalsContact O-N 3.15Å; Q575-K577 VanDerWaalsContact C-N 3.31Å; Q575-K577 PolarHBondContact O-N 2.7Å; K577-Y579 VanDerWaalsContact C-N 3.34Å; K577-Y579 PolarHBondContact O-N 3.47Å; K577-T580 PolarHBondContact O-N 2.59Å; K577-E581 WeakPolarHBondContact CE-OE1 3.25Å; K577-E581 IonicContact NZ-OE1 2.73Å; K577-E581 WeakPolarHBondContact O-CG 3.38Å; K577-E581 PolarHBondContact O-N 3.2Å |
| 578 | K | 82.5 | Confident | 81.9 | Confident | 136 Ų | 136 | 101.6 Ų | 101.6 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | 178.5 | -70.1 | 174.8 | -180 | -178 | 0 | 112.9 | N574 Q575 K576 E581 M582 | N574-K578 WeakPolarHBondContact O-CG 3.47Å; Q575-K578 PolarHBondContact O-N 3.28Å; Q575-K578 VanDerWaalsContact O-N 3.1Å; K576-K578 PolarHBondContact O-N 3.26Å; K578-E581 PolarHBondContact O-N 3.09Å; K578-M582 WeakPolarHBondContact O-CB 3.42Å; K578-M582 PolarHBondContact O-N 3.2Å |
| 579 | Y | 80.7 | Confident | 81.6 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 57% | 0.573 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.5 | -38.4 | 176 | -69.4 | -56.8 | 0 | 0 | 0 | 112.2 | Q575 K576 K577 M582 M583 | Q575-Y579 HydrophobicContact CB-CD2 4.36Å; Q575-Y579 HydrophobicContact CB-CE2 4.02Å; Q575-Y579 WeakPolarHBondContact O-CD2 3.15Å; Q575-Y579 PolarHBondContact O-N 3.46Å; K576-Y579 PolarHBondContact O-N 3.06Å; K577-Y579 VanDerWaalsContact C-N 3.34Å; K577-Y579 PolarHBondContact O-N 3.47Å; Y579-M582 PolarHBondContact O-N 3.45Å; Y579-M583 WeakPolarHBondContact O-CB 3.4Å; Y579-M583 WeakPolarHBondContact O-CG 3.46Å; Y579-M583 PolarHBondContact O-N 3.26Å |
| 580 | T | 76.9 | Confident | 81.4 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | K576 K577 M582 M583 S584 | K576-T580 PolarHBondContact O-N 2.86Å; K576-T580 PolarHBondContact O-OG1 2.89Å; K577-T580 PolarHBondContact O-N 2.59Å; T580-M582 VanDerWaalsContact C-N 3.33Å; T580-M582 PolarHBondContact O-N 3.06Å; T580-M583 PolarHBondContact O-N 3.08Å; T580-S584 PolarHBondContact O-N 2.85Å; T580-S584 PolarHBondContact O-OG 3.09Å |
| 581 | E | 80 | Confident | 81 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 177.1 | -70.9 | 166.7 | 169.2 | 0 | 0 | 112.2 | K577 K578 S584 S585 | K577-E581 WeakPolarHBondContact CE-OE1 3.25Å; K577-E581 IonicContact NZ-OE1 2.73Å; K577-E581 WeakPolarHBondContact O-CG 3.38Å; K577-E581 PolarHBondContact O-N 3.2Å; K578-E581 PolarHBondContact O-N 3.09Å; E581-S584 PolarHBondContact O-N 3.28Å; E581-S585 PolarHBondContact O-N 3.08Å |
| 582 | M | 79.6 | Confident | 80.7 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 53% | 0.527 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | 177.4 | -173.9 | -176.8 | -62.8 | 0 | 0 | 113.3 | K578 Y579 T580 S584 S585 L586 | K578-M582 WeakPolarHBondContact O-CB 3.42Å; K578-M582 PolarHBondContact O-N 3.2Å; Y579-M582 PolarHBondContact O-N 3.45Å; T580-M582 VanDerWaalsContact C-N 3.33Å; T580-M582 PolarHBondContact O-N 3.06Å; M582-S584 VanDerWaalsContact C-N 3.34Å; M582-S585 PolarHBondContact O-N 3.06Å; M582-S585 PolarHBondContact O-OG 3.28Å; M582-S585 VanDerWaalsContact O-OG 3.12Å; M582-L586 HydrophobicContact CG-CD1 4.22Å; M582-L586 WeakPolarHBondContact O-CG 3.3Å; M582-L586 PolarHBondContact O-N 2.86Å; M582-L586 VanDerWaalsContact O-N 3.1Å |
| 583 | M | 77.8 | Confident | 80.4 | Confident | 75 Ų | 75 | 93.6 Ų | 93.6 | 37% | 0.369 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.2 | -77.5 | -63.7 | -60.3 | 0 | 0 | 111.1 | Y579 T580 S585 L586 L587 F615 | Y579-M583 WeakPolarHBondContact O-CB 3.4Å; Y579-M583 WeakPolarHBondContact O-CG 3.46Å; Y579-M583 PolarHBondContact O-N 3.26Å; T580-M583 PolarHBondContact O-N 3.08Å; M583-S585 VanDerWaalsContact C-N 3.32Å; M583-S585 PolarHBondContact O-N 3.42Å; M583-L586 PolarHBondContact O-N 3.49Å; M583-L587 WeakPolarHBondContact O-CB 3.33Å; M583-L587 VanDerWaalsContact O-CG 3.28Å; M583-L587 WeakPolarHBondContact O-CG 3.49Å; M583-L587 PolarHBondContact O-N 2.87Å; M583-F615 HydrophobicContact CE-CE1 4.37Å; M583-F615 HydrophobicContact CE-CE2 4.27Å; M583-F615 HydrophobicContact CE-CZ 3.73Å |
| 584 | S | 76.6 | Confident | 80 | Confident | 75 Ų | 75 | 87.2 Ų | 87.2 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -32.6 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | T580 E581 M582 K588 | T580-S584 PolarHBondContact O-N 2.85Å; T580-S584 PolarHBondContact O-OG 3.09Å; E581-S584 PolarHBondContact O-N 3.28Å; M582-S584 VanDerWaalsContact C-N 3.34Å; S584-K588 PolarHBondContact O-N 3.37Å |
| 585 | S | 81 | Confident | 79.6 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.5 | -46.9 | 172.5 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | E581 M582 M583 L587 K588 D589 | E581-S585 PolarHBondContact O-N 3.08Å; M582-S585 PolarHBondContact O-N 3.06Å; M582-S585 PolarHBondContact O-OG 3.28Å; M582-S585 VanDerWaalsContact O-OG 3.12Å; M583-S585 VanDerWaalsContact C-N 3.32Å; M583-S585 PolarHBondContact O-N 3.42Å; S585-L587 VanDerWaalsContact C-N 3.27Å; S585-L587 PolarHBondContact O-N 3.06Å; S585-K588 WeakPolarHBondContact O-CA 3.26Å; S585-K588 WeakPolarHBondContact O-CB 3.32Å; S585-K588 PolarHBondContact O-N 3.45Å; S585-D589 VanDerWaalsContact O-CG 3.25Å; S585-D589 PolarHBondContact O-N 3.38Å |
| 586 | L | 79.8 | Confident | 79.3 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.2 | -36 | 178.8 | -74.9 | 167.5 | 0 | 0 | 0 | 113.1 | M582 M583 L590 | M582-L586 HydrophobicContact CG-CD1 4.22Å; M582-L586 WeakPolarHBondContact O-CG 3.3Å; M582-L586 PolarHBondContact O-N 2.86Å; M582-L586 VanDerWaalsContact O-N 3.1Å; M583-L586 PolarHBondContact O-N 3.49Å; L586-L590 WeakPolarHBondContact O-CB 3.08Å; L586-L590 WeakPolarHBondContact O-CG 3.5Å; L586-L590 PolarHBondContact O-N 3Å |
| 587 | L | 78.1 | Confident | 78.9 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 174.6 | -72.8 | 172.7 | 0 | 0 | 0 | 112.3 | M583 S585 I591 V618 | M583-L587 WeakPolarHBondContact O-CB 3.33Å; M583-L587 VanDerWaalsContact O-CG 3.28Å; M583-L587 WeakPolarHBondContact O-CG 3.49Å; M583-L587 PolarHBondContact O-N 2.87Å; S585-L587 VanDerWaalsContact C-N 3.27Å; S585-L587 PolarHBondContact O-N 3.06Å; L587-I591 WeakPolarHBondContact O-CG1 3.28Å; L587-I591 PolarHBondContact O-N 3.39Å; L587-V618 HydrophobicContact CD2-CB 4.39Å; L587-V618 HydrophobicContact CD2-CG1 3.92Å; L587-V618 HydrophobicContact CD2-CG2 3.56Å |
| 588 | K | 81 | Confident | 78.5 | Confident | 129 Ų | 129 | 79.2 Ų | 79.2 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.9 | -49.9 | 172.7 | -174.6 | -179 | 174.2 | -175.5 | 0 | 111.2 | S584 S585 L590 I591 D592 | S584-K588 PolarHBondContact O-N 3.37Å; S585-K588 WeakPolarHBondContact O-CA 3.26Å; S585-K588 WeakPolarHBondContact O-CB 3.32Å; S585-K588 PolarHBondContact O-N 3.45Å; K588-L590 PolarHBondContact O-N 3.39Å; K588-L590 VanDerWaalsContact O-N 3.17Å; K588-I591 PolarHBondContact O-N 2.87Å; K588-D592 PolarHBondContact O-N 3.24Å |
| 589 | D | 81.8 | Confident | 77.9 | Confident | 85 Ų | 85 | 80.1 Ų | 80.1 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.8 | -35.9 | 178.8 | -57.7 | -29.6 | 0 | 0 | 0 | 111.4 | S585 V593 | S585-D589 VanDerWaalsContact O-CG 3.25Å; S585-D589 PolarHBondContact O-N 3.38Å; D589-V593 VanDerWaalsContact O-CG2 3.29Å; D589-V593 WeakPolarHBondContact O-CG2 3.4Å; D589-V593 PolarHBondContact O-N 2.93Å; D589-V593 VanDerWaalsContact O-N 3.13Å |
| 590 | L | 80 | Confident | 77.3 | Confident | 53 Ų | 53 | 80.8 Ų | 80.8 | 28% | 0.277 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 174.1 | -87.2 | 166.3 | 0 | 0 | 0 | 114.2 | L586 K588 G594 V618 I622 M625 | L586-L590 WeakPolarHBondContact O-CB 3.08Å; L586-L590 WeakPolarHBondContact O-CG 3.5Å; L586-L590 PolarHBondContact O-N 3Å; K588-L590 PolarHBondContact O-N 3.39Å; K588-L590 VanDerWaalsContact O-N 3.17Å; L590-G594 PolarHBondContact O-N 3.47Å; L590-G594 VanDerWaalsContact O-N 3.12Å; L590-V618 HydrophobicContact CD1-CG1 4.35Å; L590-I622 HydrophobicContact CD1-CD1 4.01Å; L590-I622 HydrophobicContact CD1-CG1 4.48Å; L590-I622 HydrophobicContact CD2-CD1 4.16Å; L590-I622 HydrophobicContact CD2-CG1 3.93Å; L590-M625 HydrophobicContact CD2-CE 4.37Å |
| 591 | I | 78.3 | Confident | 76.7 | Confident | 35 Ų | 35 | 77.4 Ų | 77.4 | 18% | 0.179 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.7 | -47.2 | 176.9 | -68.7 | 164.4 | 0 | 0 | 0 | 109.7 | L587 K588 V593 G594 E595 P604 | L587-I591 WeakPolarHBondContact O-CG1 3.28Å; L587-I591 PolarHBondContact O-N 3.39Å; K588-I591 PolarHBondContact O-N 2.87Å; I591-V593 VanDerWaalsContact C-N 3.28Å; I591-V593 PolarHBondContact O-N 3.12Å; I591-G594 WeakPolarHBondContact O-CA 3.42Å; I591-G594 PolarHBondContact O-N 3.33Å; I591-E595 PolarHBondContact O-N 3.15Å; I591-P604 HydrophobicContact CD1-CG 4.24Å; I591-P604 HydrophobicContact CG1-CG 4.19Å |
| 592 | D | 80.2 | Confident | 76 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 37% | 0.369 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | -179.6 | -64.1 | 0.1 | 0 | 0 | 0 | 111.2 | K588 C596 | K588-D592 PolarHBondContact O-N 3.24Å; D592-C596 PolarHBondContact O-N 3.24Å; D592-C596 PolarHBondContact O-SG 3.03Å |
| 593 | V | 78.8 | Confident | 75.4 | Confident | 82 Ų | 82 | 79 Ų | 79 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.7 | -31.5 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 112.7 | D589 I591 C596 L597 M625 | D589-V593 VanDerWaalsContact O-CG2 3.29Å; D589-V593 WeakPolarHBondContact O-CG2 3.4Å; D589-V593 PolarHBondContact O-N 2.93Å; D589-V593 VanDerWaalsContact O-N 3.13Å; I591-V593 VanDerWaalsContact C-N 3.28Å; I591-V593 PolarHBondContact O-N 3.12Å; V593-C596 PolarHBondContact O-N 3.27Å; V593-L597 HydrophobicContact CG1-CD1 4.39Å; V593-L597 WeakPolarHBondContact O-CG 3.35Å; V593-L597 PolarHBondContact O-N 2.94Å; V593-M625 HydrophobicContact CB-CE 4.17Å; V593-M625 HydrophobicContact CG1-CE 3.75Å |
| 594 | G | 78 | Confident | 74.8 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L590 I591 C596 L597 N598 L601 | L590-G594 PolarHBondContact O-N 3.47Å; L590-G594 VanDerWaalsContact O-N 3.12Å; I591-G594 WeakPolarHBondContact O-CA 3.42Å; I591-G594 PolarHBondContact O-N 3.33Å; G594-C596 PolarHBondContact O-N 3.07Å; G594-L597 PolarHBondContact O-N 3.41Å; G594-N598 PolarHBondContact O-N 3.14Å; G594-L601 WeakPolarHBondContact O-CD1 3.34Å |
| 595 | E | 77.3 | Confident | 73.9 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.9 | -41 | 174.3 | -66.7 | -174.4 | 169.4 | 0 | 0 | 111.6 | I591 L597 K603 | I591-E595 PolarHBondContact O-N 3.15Å; E595-L597 PolarHBondContact O-N 3.3Å; E595-K603 WeakPolarHBondContact OE1-CE 3.47Å; E595-K603 IonicContact OE1-NZ 3.38Å; E595-K603 PolarHBondContact OE1-NZ 3.25Å |
| 596 | C | 75.8 | Confident | 72.7 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 78% | 0.777 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.5 | 177.9 | -68.6 | 0 | 0 | 0 | 0 | 114.6 | D592 V593 G594 | D592-C596 PolarHBondContact O-N 3.24Å; D592-C596 PolarHBondContact O-SG 3.03Å; V593-C596 PolarHBondContact O-N 3.27Å; G594-C596 PolarHBondContact O-N 3.07Å |
| 597 | L | 72.9 | Confident | 71.2 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -44.6 | 180 | -74.4 | 169.9 | 0 | 0 | 0 | 113 | V593 G594 E595 L601 M625 A629 | V593-L597 HydrophobicContact CG1-CD1 4.39Å; V593-L597 WeakPolarHBondContact O-CG 3.35Å; V593-L597 PolarHBondContact O-N 2.94Å; G594-L597 PolarHBondContact O-N 3.41Å; E595-L597 PolarHBondContact O-N 3.3Å; L597-L601 HydrophobicContact CB-CD1 4.33Å; L597-M625 HydrophobicContact CD1-CB 4.01Å; L597-M625 HydrophobicContact CD1-CE 4.05Å; L597-M625 HydrophobicContact CD1-CG 4.25Å; L597-A629 HydrophobicContact CD2-CB 4.49Å |
| 598 | N | 72.1 | Confident | 70.1 | Confident | 45 Ų | 45 | 81.4 Ų | 81.4 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | trans | -161.3 | 118.5 | 177.4 | -178.8 | -1.5 | 0 | 0 | 0 | 110.5 | G594 Q600 L601 E628 | G594-N598 PolarHBondContact O-N 3.14Å; N598-Q600 PolarHBondContact O-N 3.43Å; N598-Q600 WeakPolarHBondContact OD1-CB 3.39Å; N598-Q600 PolarHBondContact OD1-N 2.95Å; N598-L601 HydrophobicContact CB-CD1 3.97Å; N598-L601 HydrophobicContact CB-CG 4.07Å; N598-L601 VanDerWaalsContact O-CB 3.3Å; N598-L601 WeakPolarHBondContact O-CB 3.3Å; N598-L601 WeakPolarHBondContact O-CG 3.38Å; N598-L601 PolarHBondContact O-N 2.88Å; N598-E628 PolarHBondContact ND2-OE1 3.5Å | ||
| 599 | D | 70.2 | Confident | 68.6 | Low | 155 Ų | 155 | 84.2 Ų | 84.2 | 83% | 0.829 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.8 | -179.9 | -152.5 | 31.1 | 0 | 0 | 0 | 113.4 | ||
| 600 | Q | 67.6 | Low | 67 | Low | 159 Ų | 159 | 87.6 Ų | 87.6 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 10.4 | 174.6 | -56.6 | -176.6 | -0.1 | 0 | 0 | 113.9 | N598 T602 | N598-Q600 PolarHBondContact O-N 3.43Å; N598-Q600 WeakPolarHBondContact OD1-CB 3.39Å; N598-Q600 PolarHBondContact OD1-N 2.95Å; Q600-T602 PolarHBondContact O-N 3.21Å; Q600-T602 VanDerWaalsContact O-N 3.13Å |
| 601 | L | 65 | Low | 65.6 | Low | 10 Ų | 10 | 90.9 Ų | 90.9 | 5% | 0.052 | 51% | 0.508 | C | S | . | . | trans | -78.3 | 92.7 | 173.9 | -78 | 165.4 | 0 | 0 | 0 | 111.4 | G594 L597 N598 K603 Y621 K624 M625 | G594-L601 WeakPolarHBondContact O-CD1 3.34Å; L597-L601 HydrophobicContact CB-CD1 4.33Å; N598-L601 HydrophobicContact CB-CD1 3.97Å; N598-L601 HydrophobicContact CB-CG 4.07Å; N598-L601 VanDerWaalsContact O-CB 3.3Å; N598-L601 WeakPolarHBondContact O-CB 3.3Å; N598-L601 WeakPolarHBondContact O-CG 3.38Å; N598-L601 PolarHBondContact O-N 2.88Å; L601-K603 PolarHBondContact O-N 3.19Å; L601-K603 VanDerWaalsContact O-N 3.12Å; L601-Y621 HydrophobicContact CB-CE2 4.13Å; L601-K624 HydrophobicContact CD2-CB 4.31Å; L601-K624 HydrophobicContact CD2-CD 3.59Å; L601-K624 HydrophobicContact CD2-CG 3.8Å; L601-M625 HydrophobicContact CD1-CG 4.33Å | ||
| 602 | T | 65.1 | Low | 64.4 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 68% | 0.681 | 53% | 0.534 | S | S | * | . | trans | -40.7 | 114.5 | 170.7 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | Q600 | Q600-T602 PolarHBondContact O-N 3.21Å; Q600-T602 VanDerWaalsContact O-N 3.13Å | ||
| 603 | K | 66.8 | Low | 63.4 | Low | 135 Ų | 135 | 97.7 Ų | 97.7 | 59% | 0.587 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 137.2 | -175.3 | -62.9 | -178.9 | 177.6 | -173.3 | 0 | 111.4 | E595 L601 S605 | E595-K603 WeakPolarHBondContact OE1-CE 3.47Å; E595-K603 IonicContact OE1-NZ 3.38Å; E595-K603 PolarHBondContact OE1-NZ 3.25Å; L601-K603 PolarHBondContact O-N 3.19Å; L601-K603 VanDerWaalsContact O-N 3.12Å; K603-S605 PolarHBondContact O-N 3.41Å |
| 604 | P | 64.8 | Low | 62.7 | Low | 21 Ų | 21 | 95.4 Ų | 95.4 | 14% | 0.136 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.2 | 171.3 | 29.4 | -33.3 | 0 | 0 | 0 | 109.9 | I591 V617 | I591-P604 HydrophobicContact CD1-CG 4.24Å; I591-P604 HydrophobicContact CG1-CG 4.19Å; P604-V617 HydrophobicContact CB-CG1 3.83Å |
| 605 | S | 56.7 | Low | 62.2 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 87% | 0.874 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 122.6 | 170.5 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | K603 | K603-S605 PolarHBondContact O-N 3.41Š|
| 606 | V | 56.1 | Low | 62.1 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | trans | -108.9 | 102.2 | -175.5 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 607 | G | 49.8 | Very low | 61.9 | Low | 54 Ų | 54 | 97 Ų | 97 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | trans | -106.5 | 126 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E609 | G607-E609 VanDerWaalsContact C-N 3.28Å; G607-E609 PolarHBondContact O-N 3.21Å | ||
| 608 | A | 53.7 | Low | 62 | Low | 102 Ų | 102 | 95.3 Ų | 95.3 | 84% | 0.843 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 34 | -152.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 609 | E | 49.3 | Very low | 62.4 | Low | 187 Ų | 187 | 100.4 Ų | 100.4 | 87% | 0.874 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -5.6 | -173.4 | -63.2 | -162.6 | 157.2 | 0 | 0 | 116.5 | G607 | G607-E609 VanDerWaalsContact C-N 3.28Å; G607-E609 PolarHBondContact O-N 3.21Å |
| 610 | R | 49 | Very low | 62.7 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | trans | -142.7 | 64.6 | -174 | -70.1 | -162.9 | 177.9 | -164.4 | 4.1 | 115.1 | D612 E613 E614 | R610-D612 VanDerWaalsContact C-N 3.27Å; R610-D612 PolarHBondContact O-N 2.87Å; R610-E613 HydrophobicContact CB-CB 4.4Å; R610-E613 VanDerWaalsContact CD-CD 3.45Å; R610-E613 WeakPolarHBondContact CD-OE1 3.48Å; R610-E613 WeakPolarHBondContact CD-OE2 3.23Å; R610-E613 IonicContact CZ-OE1 3.82Å; R610-E613 IonicContact NE-OE1 3.87Å; R610-E613 IonicContact NH1-OE1 3.93Å; R610-E613 PolarHBondContact NH1-OE1 3.46Å; R610-E613 IonicContact NH1-OE2 2.66Å; R610-E613 PolarHBondContact O-N 2.93Å; R610-E614 WeakPolarHBondContact CA-OE1 3.38Å; R610-E614 PolarHBondContact N-OE1 2.93Å; R610-E614 WeakPolarHBondContact O-CG 3.19Å; R610-E614 PolarHBondContact O-N 3.26Å; R610-E614 VanDerWaalsContact O-N 3.14Å | ||
| 611 | L | 49.7 | Very low | 63.4 | Low | 122 Ų | 122 | 91.8 Ų | 91.8 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -44 | -36.7 | -178.5 | -77.1 | 159.5 | 0 | 0 | 0 | 116.8 | E614 F615 | L611-E614 PolarHBondContact N-OE1 2.98Å; L611-E614 VanDerWaalsContact N-OE1 3.09Å; L611-F615 WeakPolarHBondContact O-CB 3.39Å; L611-F615 WeakPolarHBondContact O-CD2 3.38Å; L611-F615 PolarHBondContact O-N 2.97Å |
| 612 | D | 54.8 | Low | 64.1 | Low | 135 Ų | 135 | 94.8 Ų | 94.8 | 72% | 0.722 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.9 | -32.8 | -177.3 | -71.9 | -43.9 | 0 | 0 | 0 | 113.5 | R610 T616 | R610-D612 VanDerWaalsContact C-N 3.27Å; R610-D612 PolarHBondContact O-N 2.87Å; D612-T616 PolarHBondContact O-OG1 3.35Å |
| 613 | E | 57.4 | Low | 64.9 | Low | 111 Ų | 111 | 92.4 Ų | 92.4 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -46.5 | 171.4 | -68.8 | 169.7 | -165.7 | 0 | 0 | 109.2 | R610 F615 T616 V617 | R610-E613 HydrophobicContact CB-CB 4.4Å; R610-E613 VanDerWaalsContact CD-CD 3.45Å; R610-E613 WeakPolarHBondContact CD-OE1 3.48Å; R610-E613 WeakPolarHBondContact CD-OE2 3.23Å; R610-E613 IonicContact CZ-OE1 3.82Å; R610-E613 IonicContact NE-OE1 3.87Å; R610-E613 IonicContact NH1-OE1 3.93Å; R610-E613 PolarHBondContact NH1-OE1 3.46Å; R610-E613 IonicContact NH1-OE2 2.66Å; R610-E613 PolarHBondContact O-N 2.93Å; E613-F615 VanDerWaalsContact C-N 3.35Å; E613-F615 PolarHBondContact O-N 3.08Å; E613-T616 WeakPolarHBondContact O-CB 3.42Å; E613-T616 PolarHBondContact O-N 3.16Å; E613-V617 PolarHBondContact O-N 3.26Å; E613-V617 VanDerWaalsContact O-N 3.14Å |
| 614 | E | 64.6 | Low | 65.6 | Low | 35 Ų | 35 | 90.3 Ų | 90.3 | 16% | 0.164 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -53.3 | -47.2 | 174.7 | -64.7 | 162.6 | -136.8 | 0 | 0 | 112 | R610 L611 T616 V617 V618 | R610-E614 WeakPolarHBondContact CA-OE1 3.38Å; R610-E614 PolarHBondContact N-OE1 2.93Å; R610-E614 WeakPolarHBondContact O-CG 3.19Å; R610-E614 PolarHBondContact O-N 3.26Å; R610-E614 VanDerWaalsContact O-N 3.14Å; L611-E614 PolarHBondContact N-OE1 2.98Å; L611-E614 VanDerWaalsContact N-OE1 3.09Å; E614-T616 PolarHBondContact O-N 2.65Å; E614-V617 PolarHBondContact O-N 2.98Å; E614-V618 WeakPolarHBondContact O-CG2 3.43Å; E614-V618 PolarHBondContact O-N 2.76Å |
| 615 | F | 68.3 | Low | 66.4 | Low | 101 Ų | 101 | 90 Ų | 90 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -27.8 | 177.7 | -109 | -68.2 | 0 | 0 | 0 | 113.6 | M583 L611 E613 R619 | M583-F615 HydrophobicContact CE-CE1 4.37Å; M583-F615 HydrophobicContact CE-CE2 4.27Å; M583-F615 HydrophobicContact CE-CZ 3.73Å; L611-F615 WeakPolarHBondContact O-CB 3.39Å; L611-F615 WeakPolarHBondContact O-CD2 3.38Å; L611-F615 PolarHBondContact O-N 2.97Å; E613-F615 VanDerWaalsContact C-N 3.35Å; E613-F615 PolarHBondContact O-N 3.08Å; F615-R619 VanDerWaalsContact O-CB 3.25Å; F615-R619 WeakPolarHBondContact O-CB 3.47Å; F615-R619 PolarHBondContact O-N 3.05Å; F615-R619 VanDerWaalsContact O-N 3.15Å |
| 616 | T | 73.8 | Confident | 67.7 | Low | 65 Ų | 65 | 90.6 Ų | 90.6 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.5 | -41.7 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | D612 E613 E614 R619 L620 | D612-T616 PolarHBondContact O-OG1 3.35Å; E613-T616 WeakPolarHBondContact O-CB 3.42Å; E613-T616 PolarHBondContact O-N 3.16Å; E614-T616 PolarHBondContact O-N 2.65Å; T616-R619 PolarHBondContact O-N 2.92Å; T616-L620 HydrophobicContact CG2-CD1 4.5Å; T616-L620 WeakPolarHBondContact O-CG 3.32Å; T616-L620 PolarHBondContact O-N 2.62Å |
| 617 | V | 72.4 | Confident | 68.8 | Low | 71 Ų | 71 | 91 Ų | 91 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 111 | P604 E613 E614 R619 L620 Y621 | P604-V617 HydrophobicContact CB-CG1 3.83Å; E613-V617 PolarHBondContact O-N 3.26Å; E613-V617 VanDerWaalsContact O-N 3.14Å; E614-V617 PolarHBondContact O-N 2.98Å; V617-R619 VanDerWaalsContact C-N 3.32Å; V617-R619 PolarHBondContact O-N 3.18Å; V617-L620 PolarHBondContact O-N 3.23Å; V617-L620 VanDerWaalsContact O-N 3.16Å; V617-Y621 PolarHBondContact O-N 3.26Å |
| 618 | V | 75.6 | Confident | 70.4 | Confident | 22 Ų | 22 | 91.1 Ų | 91.1 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.9 | 173 | 0 | 0 | 0 | 0 | 111.6 | L587 L590 E614 L620 Y621 I622 | L587-V618 HydrophobicContact CD2-CB 4.39Å; L587-V618 HydrophobicContact CD2-CG1 3.92Å; L587-V618 HydrophobicContact CD2-CG2 3.56Å; L590-V618 HydrophobicContact CD1-CG1 4.35Å; E614-V618 WeakPolarHBondContact O-CG2 3.43Å; E614-V618 PolarHBondContact O-N 2.76Å; V618-L620 PolarHBondContact O-N 3.25Å; V618-Y621 PolarHBondContact O-N 3.43Å; V618-I622 HydrophobicContact CG1-CD1 3.83Å; V618-I622 HydrophobicContact CG1-CG1 4.48Å; V618-I622 VanDerWaalsContact O-CG1 3.31Å; V618-I622 WeakPolarHBondContact O-CG1 3.44Å; V618-I622 PolarHBondContact O-N 3.09Å |
| 619 | R | 79.3 | Confident | 71.6 | Confident | 151 Ų | 151 | 88.3 Ų | 88.3 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.3 | -34.7 | 175.5 | -169.1 | -172.6 | -52.9 | 147.2 | 10.5 | 112.7 | F615 T616 V617 S623 | F615-R619 VanDerWaalsContact O-CB 3.25Å; F615-R619 WeakPolarHBondContact O-CB 3.47Å; F615-R619 PolarHBondContact O-N 3.05Å; F615-R619 VanDerWaalsContact O-N 3.15Å; T616-R619 PolarHBondContact O-N 2.92Å; V617-R619 VanDerWaalsContact C-N 3.32Å; V617-R619 PolarHBondContact O-N 3.18Å; R619-S623 VanDerWaalsContact O-CB 3.31Å; R619-S623 WeakPolarHBondContact O-CB 3.34Å; R619-S623 PolarHBondContact O-N 3.24Å; R619-S623 PolarHBondContact O-OG 2.9Å |
| 620 | L | 77.7 | Confident | 73.3 | Confident | 115 Ų | 115 | 85.6 Ų | 85.6 | 60% | 0.602 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.3 | -42 | 173.4 | -71 | 168.4 | 0 | 0 | 0 | 111.4 | T616 V617 V618 S623 K624 | T616-L620 HydrophobicContact CG2-CD1 4.5Å; T616-L620 WeakPolarHBondContact O-CG 3.32Å; T616-L620 PolarHBondContact O-N 2.62Å; V617-L620 PolarHBondContact O-N 3.23Å; V617-L620 VanDerWaalsContact O-N 3.16Å; V618-L620 PolarHBondContact O-N 3.25Å; L620-S623 WeakPolarHBondContact O-CB 3.41Å; L620-S623 PolarHBondContact O-N 3.28Å; L620-K624 PolarHBondContact O-N 2.89Å |
| 621 | Y | 80.7 | Confident | 74.8 | Confident | 19 Ų | 19 | 81 Ų | 81 | 8% | 0.075 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 175.3 | -168.5 | -103.5 | 0 | 0 | 0 | 111.7 | L601 V617 V618 S623 K624 M625 | L601-Y621 HydrophobicContact CB-CE2 4.13Å; V617-Y621 PolarHBondContact O-N 3.26Å; V618-Y621 PolarHBondContact O-N 3.43Å; Y621-S623 VanDerWaalsContact C-N 3.28Å; Y621-S623 PolarHBondContact O-N 3.44Å; Y621-K624 PolarHBondContact O-N 2.89Å; Y621-K624 VanDerWaalsContact O-N 3.11Å; Y621-M625 HydrophobicContact CD1-CG 4.3Å; Y621-M625 HydrophobicContact CD1-SD 3.46Å; Y621-M625 WeakPolarHBondContact CD1-SD 3.3Å; Y621-M625 HydrophobicContact CE1-CG 4.26Å; Y621-M625 HydrophobicContact CE1-SD 3.47Å; Y621-M625 WeakPolarHBondContact CE1-SD 3.2Å; Y621-M625 HydrophobicContact CG-SD 4.44Å; Y621-M625 WeakPolarHBondContact O-CG 3.43Å; Y621-M625 PolarHBondContact O-N 3.17Å |
| 622 | I | 80 | Confident | 76.5 | Confident | 72 Ų | 72 | 80 Ų | 80 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 175.5 | -68.3 | 167.3 | 0 | 0 | 0 | 111.4 | L590 V618 K626 | L590-I622 HydrophobicContact CD1-CD1 4.01Å; L590-I622 HydrophobicContact CD1-CG1 4.48Å; L590-I622 HydrophobicContact CD2-CD1 4.16Å; L590-I622 HydrophobicContact CD2-CG1 3.93Å; V618-I622 HydrophobicContact CG1-CD1 3.83Å; V618-I622 HydrophobicContact CG1-CG1 4.48Å; V618-I622 VanDerWaalsContact O-CG1 3.31Å; V618-I622 WeakPolarHBondContact O-CG1 3.44Å; V618-I622 PolarHBondContact O-N 3.09Å; I622-K626 VanDerWaalsContact O-CB 3.27Å; I622-K626 WeakPolarHBondContact O-CB 3.39Å; I622-K626 PolarHBondContact O-N 3.12Å |
| 623 | S | 82.5 | Confident | 77.9 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 43% | 0.434 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 175.6 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | R619 L620 Y621 K626 T627 | R619-S623 VanDerWaalsContact O-CB 3.31Å; R619-S623 WeakPolarHBondContact O-CB 3.34Å; R619-S623 PolarHBondContact O-N 3.24Å; R619-S623 PolarHBondContact O-OG 2.9Å; L620-S623 WeakPolarHBondContact O-CB 3.41Å; L620-S623 PolarHBondContact O-N 3.28Å; Y621-S623 VanDerWaalsContact C-N 3.28Å; Y621-S623 PolarHBondContact O-N 3.44Å; S623-K626 PolarHBondContact O-N 3.1Å; S623-T627 PolarHBondContact O-N 2.89Å; S623-T627 PolarHBondContact O-OG1 2.94Å |
| 624 | K | 82.3 | Confident | 79.2 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 39% | 0.391 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 176.7 | -167.1 | 176.2 | 171.7 | -173.5 | 0 | 111.9 | L601 L620 Y621 K626 T627 E628 | L601-K624 HydrophobicContact CD2-CB 4.31Å; L601-K624 HydrophobicContact CD2-CD 3.59Å; L601-K624 HydrophobicContact CD2-CG 3.8Å; L620-K624 PolarHBondContact O-N 2.89Å; Y621-K624 PolarHBondContact O-N 2.89Å; Y621-K624 VanDerWaalsContact O-N 3.11Å; K624-K626 VanDerWaalsContact C-N 3.26Å; K624-K626 PolarHBondContact O-N 2.86Å; K624-T627 WeakPolarHBondContact CA-OG1 3.29Å; K624-T627 PolarHBondContact O-N 3.15Å; K624-T627 VanDerWaalsContact O-N 3.14Å; K624-T627 PolarHBondContact O-OG1 2.88Å; K624-E628 WeakPolarHBondContact O-CG 3.47Å; K624-E628 PolarHBondContact O-N 3.26Å |
| 625 | M | 80.9 | Confident | 80.2 | Confident | 15 Ų | 15 | 84.2 Ų | 84.2 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -55.1 | -41.7 | 171.2 | -66.5 | 165.9 | 75.4 | 0 | 0 | 111.7 | L590 V593 L597 L601 Y621 T627 E628 A629 | L590-M625 HydrophobicContact CD2-CE 4.37Å; V593-M625 HydrophobicContact CB-CE 4.17Å; V593-M625 HydrophobicContact CG1-CE 3.75Å; L597-M625 HydrophobicContact CD1-CB 4.01Å; L597-M625 HydrophobicContact CD1-CE 4.05Å; L597-M625 HydrophobicContact CD1-CG 4.25Å; L601-M625 HydrophobicContact CD1-CG 4.33Å; Y621-M625 HydrophobicContact CD1-CG 4.3Å; Y621-M625 HydrophobicContact CD1-SD 3.46Å; Y621-M625 WeakPolarHBondContact CD1-SD 3.3Å; Y621-M625 HydrophobicContact CE1-CG 4.26Å; Y621-M625 HydrophobicContact CE1-SD 3.47Å; Y621-M625 WeakPolarHBondContact CE1-SD 3.2Å; Y621-M625 HydrophobicContact CG-SD 4.44Å; Y621-M625 WeakPolarHBondContact O-CG 3.43Å; Y621-M625 PolarHBondContact O-N 3.17Å; M625-T627 PolarHBondContact O-N 2.93Å; M625-E628 PolarHBondContact O-N 3.42Å; M625-A629 WeakPolarHBondContact O-CB 3.48Å; M625-A629 PolarHBondContact O-N 3.3Å |
| 626 | K | 83.3 | Confident | 81 | Confident | 137 Ų | 137 | 83 Ų | 83 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.3 | -30.8 | 179.2 | -176.4 | 176.8 | -178.5 | 176.2 | 0 | 113.3 | I622 S623 K624 K630 | I622-K626 VanDerWaalsContact O-CB 3.27Å; I622-K626 WeakPolarHBondContact O-CB 3.39Å; I622-K626 PolarHBondContact O-N 3.12Å; S623-K626 PolarHBondContact O-N 3.1Å; K624-K626 VanDerWaalsContact C-N 3.26Å; K624-K626 PolarHBondContact O-N 2.86Å; K626-K630 WeakPolarHBondContact O-CG 3.36Å; K626-K630 PolarHBondContact O-N 2.94Å |
| 627 | T | 80.9 | Confident | 81.7 | Confident | 89 Ų | 89 | 87.7 Ų | 87.7 | 55% | 0.546 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.4 | -41.1 | 171.1 | 39.2 | 0 | 0 | 0 | 0 | 112.2 | S623 K624 M625 K630 S631 | S623-T627 PolarHBondContact O-N 2.89Å; S623-T627 PolarHBondContact O-OG1 2.94Å; K624-T627 WeakPolarHBondContact CA-OG1 3.29Å; K624-T627 PolarHBondContact O-N 3.15Å; K624-T627 VanDerWaalsContact O-N 3.14Å; K624-T627 PolarHBondContact O-OG1 2.88Å; M625-T627 PolarHBondContact O-N 2.93Å; T627-K630 PolarHBondContact O-N 3.37Å; T627-S631 PolarHBondContact O-N 3.43Å |
| 628 | E | 81.7 | Confident | 82.3 | Confident | 56 Ų | 56 | 89.2 Ų | 89.2 | 26% | 0.262 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 177.4 | -63.5 | -75.4 | -146.2 | 0 | 0 | 111.5 | N598 K624 M625 K630 S631 L632 | N598-E628 PolarHBondContact ND2-OE1 3.5Å; K624-E628 WeakPolarHBondContact O-CG 3.47Å; K624-E628 PolarHBondContact O-N 3.26Å; M625-E628 PolarHBondContact O-N 3.42Å; E628-K630 VanDerWaalsContact C-N 3.26Å; E628-K630 PolarHBondContact O-N 2.97Å; E628-S631 WeakPolarHBondContact O-CB 3.34Å; E628-S631 PolarHBondContact O-N 3.12Å; E628-S631 VanDerWaalsContact O-N 3.07Å; E628-L632 PolarHBondContact O-N 3.31Å |
| 629 | A | 80.1 | Confident | 82.8 | Confident | 42 Ų | 42 | 92.8 Ų | 92.8 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L597 M625 Q633 | L597-A629 HydrophobicContact CD2-CB 4.49Å; M625-A629 WeakPolarHBondContact O-CB 3.48Å; M625-A629 PolarHBondContact O-N 3.3Å; A629-Q633 VanDerWaalsContact O-CB 3.29Å; A629-Q633 WeakPolarHBondContact O-CB 3.46Å; A629-Q633 PolarHBondContact O-N 2.91Å |
| 630 | K | 83.9 | Confident | 83.1 | Confident | 131 Ų | 131 | 90.5 Ų | 90.5 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.6 | -40.9 | 172.9 | -82 | -177.2 | 168.7 | -163 | 0 | 112.9 | K626 T627 E628 L632 Q633 S634 | K626-K630 WeakPolarHBondContact O-CG 3.36Å; K626-K630 PolarHBondContact O-N 2.94Å; T627-K630 PolarHBondContact O-N 3.37Å; E628-K630 VanDerWaalsContact C-N 3.26Å; E628-K630 PolarHBondContact O-N 2.97Å; K630-L632 VanDerWaalsContact C-N 3.33Å; K630-Q633 PolarHBondContact O-N 2.8Å; K630-S634 WeakPolarHBondContact O-CB 3.14Å; K630-S634 PolarHBondContact O-N 3.49Å |
| 631 | S | 81.9 | Confident | 83.6 | Confident | 61 Ų | 61 | 89.5 Ų | 89.5 | 43% | 0.427 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | T627 E628 S634 R635 | T627-S631 PolarHBondContact O-N 3.43Å; E628-S631 WeakPolarHBondContact O-CB 3.34Å; E628-S631 PolarHBondContact O-N 3.12Å; E628-S631 VanDerWaalsContact O-N 3.07Å; S631-S634 PolarHBondContact O-N 3.46Å; S631-R635 PolarHBondContact O-N 3.3Å |
| 632 | L | 83.7 | Confident | 83.9 | Confident | 100 Ų | 100 | 91.9 Ų | 91.9 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 177.5 | -141.3 | 75 | 0 | 0 | 0 | 112.2 | E628 K630 S634 R635 V636 | E628-L632 PolarHBondContact O-N 3.31Å; K630-L632 VanDerWaalsContact C-N 3.33Å; L632-S634 VanDerWaalsContact C-N 3.34Å; L632-S634 PolarHBondContact O-N 3.5Å; L632-R635 WeakPolarHBondContact O-CB 3.3Å; L632-R635 PolarHBondContact O-N 3.41Å; L632-V636 WeakPolarHBondContact O-CG2 3.39Å; L632-V636 PolarHBondContact O-N 2.88Å |
| 633 | Q | 84.1 | Confident | 84.3 | Confident | 140 Ų | 140 | 96.5 Ų | 96.5 | 65% | 0.654 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.1 | -42.2 | 175.6 | -173.8 | -178.2 | 26.4 | 0 | 0 | 111.9 | A629 K630 V636 R637 | A629-Q633 VanDerWaalsContact O-CB 3.29Å; A629-Q633 WeakPolarHBondContact O-CB 3.46Å; A629-Q633 PolarHBondContact O-N 2.91Å; K630-Q633 PolarHBondContact O-N 2.8Å; Q633-V636 PolarHBondContact O-N 3.29Å; Q633-R637 WeakPolarHBondContact O-CB 3.38Å; Q633-R637 PolarHBondContact O-N 3.23Å |
| 634 | S | 85.8 | Confident | 84.5 | Confident | 80 Ų | 80 | 97.3 Ų | 97.3 | 56% | 0.559 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 176.5 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | K630 S631 L632 Q638 | K630-S634 WeakPolarHBondContact O-CB 3.14Å; K630-S634 PolarHBondContact O-N 3.49Å; S631-S634 PolarHBondContact O-N 3.46Å; L632-S634 VanDerWaalsContact C-N 3.34Å; L632-S634 PolarHBondContact O-N 3.5Å; S634-Q638 WeakPolarHBondContact O-CB 3.38Å; S634-Q638 PolarHBondContact O-N 2.97Å |
| 635 | R | 86 | Confident | 84.6 | Confident | 150 Ų | 150 | 99 Ų | 99 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 175.5 | -168.3 | 86 | 71.2 | 78.7 | 6.6 | 111.8 | S631 L632 Q638 L639 | S631-R635 PolarHBondContact O-N 3.3Å; L632-R635 WeakPolarHBondContact O-CB 3.3Å; L632-R635 PolarHBondContact O-N 3.41Å; R635-Q638 PolarHBondContact O-N 3.17Å; R635-L639 HydrophobicContact CG-CD1 4.21Å; R635-L639 WeakPolarHBondContact O-CG 3.37Å; R635-L639 PolarHBondContact O-N 3Å |
| 636 | V | 85.1 | Confident | 84.7 | Confident | 76 Ų | 76 | 104.4 Ų | 104.4 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 178.5 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L632 Q633 Q638 L639 E640 | L632-V636 WeakPolarHBondContact O-CG2 3.39Å; L632-V636 PolarHBondContact O-N 2.88Å; Q633-V636 PolarHBondContact O-N 3.29Å; V636-Q638 PolarHBondContact O-N 2.86Å; V636-L639 PolarHBondContact O-N 3.14Å; V636-L639 VanDerWaalsContact O-N 3.15Å; V636-E640 HydrophobicContact CG1-CG 4.44Å; V636-E640 WeakPolarHBondContact O-CG 3.19Å; V636-E640 PolarHBondContact O-N 3.16Å |
| 637 | R | 87.3 | Confident | 84.8 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 61% | 0.611 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 178.1 | -177.6 | 176.8 | 176.2 | 153.9 | 5.5 | 112.6 | Q633 L639 E640 E641 | Q633-R637 WeakPolarHBondContact O-CB 3.38Å; Q633-R637 PolarHBondContact O-N 3.23Å; R637-L639 PolarHBondContact O-N 3.32Å; R637-E640 PolarHBondContact O-N 3.18Å; R637-E641 WeakPolarHBondContact CG-OE1 3.5Å; R637-E641 IonicContact CZ-OE1 3.1Å; R637-E641 IonicContact NE-OE1 2.66Å; R637-E641 PolarHBondContact NE-OE1 3.11Å; R637-E641 IonicContact NH2-OE1 3.71Å; R637-E641 PolarHBondContact NH2-OE1 2.9Å; R637-E641 WeakPolarHBondContact O-CG 3.26Å; R637-E641 PolarHBondContact O-N 2.9Å |
| 638 | Q | 86 | Confident | 84.9 | Confident | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 174.5 | -177.3 | -173.1 | -23.4 | 0 | 0 | 111.2 | S634 R635 V636 E640 E641 E642 | S634-Q638 WeakPolarHBondContact O-CB 3.38Å; S634-Q638 PolarHBondContact O-N 2.97Å; R635-Q638 PolarHBondContact O-N 3.17Å; V636-Q638 PolarHBondContact O-N 2.86Å; Q638-E640 VanDerWaalsContact C-N 3.29Å; Q638-E640 PolarHBondContact O-N 2.98Å; Q638-E641 PolarHBondContact O-N 2.87Å; Q638-E642 WeakPolarHBondContact CG-OE1 3.26Å; Q638-E642 PolarHBondContact NE2-OE1 3.25Å; Q638-E642 WeakPolarHBondContact O-CB 3.49Å; Q638-E642 WeakPolarHBondContact O-CG 3.46Å; Q638-E642 PolarHBondContact O-N 3.02Å |
| 639 | L | 85 | Confident | 84.9 | Confident | 97 Ų | 97 | 105 Ų | 105 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 177.8 | -68.8 | 167.7 | 0 | 0 | 0 | 112.7 | R635 V636 R637 R643 | R635-L639 HydrophobicContact CG-CD1 4.21Å; R635-L639 WeakPolarHBondContact O-CG 3.37Å; R635-L639 PolarHBondContact O-N 3Å; V636-L639 PolarHBondContact O-N 3.14Å; V636-L639 VanDerWaalsContact O-N 3.15Å; R637-L639 PolarHBondContact O-N 3.32Å; L639-R643 WeakPolarHBondContact O-CB 3.38Å; L639-R643 PolarHBondContact O-N 2.86Å |
| 640 | E | 85.7 | Confident | 84.8 | Confident | 103 Ų | 103 | 109.4 Ų | 109.4 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.4 | -42.4 | 171.9 | -71.8 | -173.9 | 131.7 | 0 | 0 | 112.2 | V636 R637 Q638 R643 V644 | V636-E640 HydrophobicContact CG1-CG 4.44Å; V636-E640 WeakPolarHBondContact O-CG 3.19Å; V636-E640 PolarHBondContact O-N 3.16Å; R637-E640 PolarHBondContact O-N 3.18Å; Q638-E640 VanDerWaalsContact C-N 3.29Å; Q638-E640 PolarHBondContact O-N 2.98Å; E640-R643 PolarHBondContact O-N 3.08Å; E640-V644 WeakPolarHBondContact O-CG2 3.49Å; E640-V644 PolarHBondContact O-N 3.38Å |
| 641 | E | 88.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 111.2 Ų | 111.2 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176 | -71.4 | 173 | -168.2 | 0 | 0 | 111 | R637 Q638 V644 Q645 | R637-E641 WeakPolarHBondContact CG-OE1 3.5Å; R637-E641 IonicContact CZ-OE1 3.1Å; R637-E641 IonicContact NE-OE1 2.66Å; R637-E641 PolarHBondContact NE-OE1 3.11Å; R637-E641 IonicContact NH2-OE1 3.71Å; R637-E641 PolarHBondContact NH2-OE1 2.9Å; R637-E641 WeakPolarHBondContact O-CG 3.26Å; R637-E641 PolarHBondContact O-N 2.9Å; Q638-E641 PolarHBondContact O-N 2.87Å; E641-V644 PolarHBondContact O-N 3.35Å; E641-Q645 WeakPolarHBondContact O-CG 3.34Å; E641-Q645 PolarHBondContact O-N 3.06Å |
| 642 | E | 87.6 | Confident | 84.9 | Confident | 70 Ų | 70 | 114.5 Ų | 114.5 | 33% | 0.327 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 170.9 | -73.7 | 172.5 | -166.8 | 0 | 0 | 112 | Q638 V644 Q645 H646 | Q638-E642 WeakPolarHBondContact CG-OE1 3.26Å; Q638-E642 PolarHBondContact NE2-OE1 3.25Å; Q638-E642 WeakPolarHBondContact O-CB 3.49Å; Q638-E642 WeakPolarHBondContact O-CG 3.46Å; Q638-E642 PolarHBondContact O-N 3.02Å; E642-V644 PolarHBondContact O-N 2.88Å; E642-Q645 PolarHBondContact O-N 2.85Å; E642-H646 PolarHBondContact O-N 3.33Å; E642-H646 PolarHBondContact O-ND1 2.72Å |
| 643 | R | 88.9 | Confident | 84.6 | Confident | 168 Ų | 168 | 112.7 Ų | 112.7 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 175.4 | 171.1 | -177.3 | 162 | -145 | -4.4 | 111.9 | L639 E640 Q645 H646 V647 | L639-R643 WeakPolarHBondContact O-CB 3.38Å; L639-R643 PolarHBondContact O-N 2.86Å; E640-R643 PolarHBondContact O-N 3.08Å; R643-Q645 VanDerWaalsContact C-N 3.34Å; R643-H646 PolarHBondContact O-N 2.82Å; R643-V647 WeakPolarHBondContact O-CG2 3.47Å; R643-V647 PolarHBondContact O-N 2.92Å |
| 644 | V | 86.7 | Confident | 84.4 | Confident | 79 Ų | 79 | 109.4 Ų | 109.4 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.3 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | E640 E641 E642 V647 Q648 | E640-V644 WeakPolarHBondContact O-CG2 3.49Å; E640-V644 PolarHBondContact O-N 3.38Å; E641-V644 PolarHBondContact O-N 3.35Å; E642-V644 PolarHBondContact O-N 2.88Å; V644-V647 PolarHBondContact O-N 3.45Å; V644-Q648 WeakPolarHBondContact O-CG 3.31Å; V644-Q648 PolarHBondContact O-N 2.75Å |
| 645 | Q | 84.1 | Confident | 84.4 | Confident | 127 Ų | 127 | 109.9 Ų | 109.9 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 174.7 | -68.4 | 172.4 | 37.6 | 0 | 0 | 111.9 | E641 E642 R643 V647 Q648 L649 | E641-Q645 WeakPolarHBondContact O-CG 3.34Å; E641-Q645 PolarHBondContact O-N 3.06Å; E642-Q645 PolarHBondContact O-N 2.85Å; R643-Q645 VanDerWaalsContact C-N 3.34Å; Q645-V647 VanDerWaalsContact C-N 3.34Å; Q645-V647 PolarHBondContact O-N 3.43Å; Q645-Q648 PolarHBondContact O-N 3.38Å; Q645-L649 PolarHBondContact O-N 3.06Å |
| 646 | H | 83.4 | Confident | 84.1 | Confident | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60 | -40.9 | 175.6 | -74.3 | 92.9 | 0 | 0 | 0 | 112.6 | E642 R643 L649 M650 | E642-H646 PolarHBondContact O-N 3.33Å; E642-H646 PolarHBondContact O-ND1 2.72Å; R643-H646 PolarHBondContact O-N 2.82Å; H646-L649 PolarHBondContact O-N 3.42Å; H646-M650 WeakPolarHBondContact O-CB 3.36Å; H646-M650 WeakPolarHBondContact O-CG 3.45Å; H646-M650 PolarHBondContact O-N 2.93Å |
| 647 | V | 84.3 | Confident | 83.5 | Confident | 64 Ų | 64 | 107 Ų | 107 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 112 | R643 V644 Q645 R651 | R643-V647 WeakPolarHBondContact O-CG2 3.47Å; R643-V647 PolarHBondContact O-N 2.92Å; V644-V647 PolarHBondContact O-N 3.45Å; Q645-V647 VanDerWaalsContact C-N 3.34Å; Q645-V647 PolarHBondContact O-N 3.43Å; V647-R651 WeakPolarHBondContact O-CG 3.39Å; V647-R651 PolarHBondContact O-N 3.45Å |
| 648 | Q | 82.9 | Confident | 83.4 | Confident | 108 Ų | 108 | 103.2 Ų | 103.2 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 173.5 | -72.5 | -178.3 | 14.4 | 0 | 0 | 112.1 | V644 Q645 R651 K652 | V644-Q648 WeakPolarHBondContact O-CG 3.31Å; V644-Q648 PolarHBondContact O-N 2.75Å; Q645-Q648 PolarHBondContact O-N 3.38Å; Q648-R651 PolarHBondContact O-N 3.25Å; Q648-K652 PolarHBondContact O-N 3.13Å |
| 649 | L | 82.5 | Confident | 83.2 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 176.4 | -160.1 | 77.3 | 0 | 0 | 0 | 111.3 | Q645 H646 R651 K652 S653 | Q645-L649 PolarHBondContact O-N 3.06Å; H646-L649 PolarHBondContact O-N 3.42Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 3.45Å; L649-K652 PolarHBondContact O-N 3.06Å; L649-S653 PolarHBondContact O-N 3.16Å |
| 650 | M | 78.6 | Confident | 82.9 | Confident | 136 Ų | 136 | 102.7 Ų | 102.7 | 67% | 0.67 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.3 | -42.2 | 173.6 | -80.3 | -65.7 | -60.6 | 0 | 0 | 112.6 | H646 S653 D654 | H646-M650 WeakPolarHBondContact O-CB 3.36Å; H646-M650 WeakPolarHBondContact O-CG 3.45Å; H646-M650 PolarHBondContact O-N 2.93Å; M650-S653 PolarHBondContact O-N 3.14Å; M650-D654 WeakPolarHBondContact O-CB 3.26Å; M650-D654 PolarHBondContact O-N 3.49Å |
| 651 | R | 84.1 | Confident | 82.7 | Confident | 168 Ų | 168 | 104.5 Ų | 104.5 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -46.7 | 177.2 | -77 | 176.6 | -179.9 | -177.1 | 0.1 | 112.1 | V647 Q648 L649 S653 D654 D655 | V647-R651 WeakPolarHBondContact O-CG 3.39Å; V647-R651 PolarHBondContact O-N 3.45Å; Q648-R651 PolarHBondContact O-N 3.25Å; L649-R651 VanDerWaalsContact C-N 3.34Å; L649-R651 PolarHBondContact O-N 3.45Å; R651-S653 VanDerWaalsContact C-N 3.31Å; R651-S653 PolarHBondContact O-N 3.2Å; R651-D654 PolarHBondContact O-N 3.21Å; R651-D655 WeakPolarHBondContact O-CB 3.49Å; R651-D655 PolarHBondContact O-N 3.49Å |
| 652 | K | 83.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 104.5 Ų | 104.5 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56 | -46.5 | 174.5 | -71.9 | 179 | 178.4 | -178.8 | 0 | 111.5 | Q648 L649 D654 D655 E656 | Q648-K652 PolarHBondContact O-N 3.13Å; L649-K652 PolarHBondContact O-N 3.06Å; K652-D654 PolarHBondContact O-N 3.05Å; K652-D655 PolarHBondContact O-N 3.26Å; K652-E656 WeakPolarHBondContact O-CB 3.47Å; K652-E656 VanDerWaalsContact O-CG 3.29Å; K652-E656 WeakPolarHBondContact O-CG 3.4Å; K652-E656 PolarHBondContact O-N 2.95Å |
| 653 | S | 77 | Confident | 82.3 | Confident | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 178.9 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | L649 M650 R651 S657 | L649-S653 PolarHBondContact O-N 3.16Å; M650-S653 PolarHBondContact O-N 3.14Å; R651-S653 VanDerWaalsContact C-N 3.31Å; R651-S653 PolarHBondContact O-N 3.2Å; S653-S657 VanDerWaalsContact O-CB 3.23Å; S653-S657 WeakPolarHBondContact O-CB 3.42Å; S653-S657 PolarHBondContact O-N 2.96Å; S653-S657 PolarHBondContact O-OG 2.75Å |
| 654 | D | 80.6 | Confident | 81.7 | Confident | 72 Ų | 72 | 105 Ų | 105 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 176.4 | -177.6 | 42 | 0 | 0 | 0 | 112.1 | M650 R651 K652 S657 K658 R661 | M650-D654 WeakPolarHBondContact O-CB 3.26Å; M650-D654 PolarHBondContact O-N 3.49Å; R651-D654 PolarHBondContact O-N 3.21Å; K652-D654 PolarHBondContact O-N 3.05Å; D654-S657 CarbonylContact O-C 3.52Å; D654-S657 WeakPolarHBondContact O-CB 3.25Å; D654-S657 PolarHBondContact O-N 2.95Å; D654-K658 WeakPolarHBondContact O-CE 3.47Å; D654-K658 VanDerWaalsContact O-CG 3.28Å; D654-K658 WeakPolarHBondContact O-CG 3.41Å; D654-K658 PolarHBondContact O-N 2.92Å; D654-K658 WeakPolarHBondContact OD1-CE 3.44Å; D654-K658 IonicContact OD1-NZ 3.71Å; D654-K658 WeakPolarHBondContact OD2-CE 3.33Å; D654-K658 IonicContact OD2-NZ 3.65Å; D654-K658 PolarHBondContact OD2-NZ 2.79Å; D654-R661 IonicContact OD1-NH2 3.72Å; D654-R661 PolarHBondContact OD1-NH2 2.72Å |
| 655 | D | 85.6 | Confident | 81.6 | Confident | 89 Ų | 89 | 106.5 Ų | 106.5 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 175 | -68.1 | -26.3 | 0 | 0 | 0 | 112.4 | R651 K652 S657 K658 D659 | R651-D655 WeakPolarHBondContact O-CB 3.49Å; R651-D655 PolarHBondContact O-N 3.49Å; K652-D655 PolarHBondContact O-N 3.26Å; D655-S657 VanDerWaalsContact C-N 3.28Å; D655-S657 PolarHBondContact O-N 3.05Å; D655-K658 WeakPolarHBondContact O-CA 3.33Å; D655-K658 WeakPolarHBondContact O-CB 3.38Å; D655-K658 PolarHBondContact O-N 3.31Å; D655-K658 IonicContact OD1-NZ 2.69Å; D655-K658 PolarHBondContact OD1-NZ 3.21Å; D655-D659 PolarHBondContact O-N 3.05Å |
| 656 | E | 80.4 | Confident | 81.5 | Confident | 122 Ų | 122 | 103.3 Ų | 103.3 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.3 | -41.8 | 166.6 | -73.4 | 165.6 | -164.8 | 0 | 0 | 110.9 | K652 K658 D659 L660 | K652-E656 WeakPolarHBondContact O-CB 3.47Å; K652-E656 VanDerWaalsContact O-CG 3.29Å; K652-E656 WeakPolarHBondContact O-CG 3.4Å; K652-E656 PolarHBondContact O-N 2.95Å; E656-K658 PolarHBondContact O-N 3.03Å; E656-D659 PolarHBondContact O-N 3.39Å; E656-L660 WeakPolarHBondContact O-CB 3.32Å; E656-L660 WeakPolarHBondContact O-CG 3.42Å; E656-L660 PolarHBondContact O-N 3.35Å |
| 657 | S | 71.3 | Confident | 81.5 | Confident | 43 Ų | 43 | 102.7 Ų | 102.7 | 30% | 0.301 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -19.2 | 174 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | S653 D654 D655 R661 | S653-S657 VanDerWaalsContact O-CB 3.23Å; S653-S657 WeakPolarHBondContact O-CB 3.42Å; S653-S657 PolarHBondContact O-N 2.96Å; S653-S657 PolarHBondContact O-OG 2.75Å; D654-S657 CarbonylContact O-C 3.52Å; D654-S657 WeakPolarHBondContact O-CB 3.25Å; D654-S657 PolarHBondContact O-N 2.95Å; D655-S657 VanDerWaalsContact C-N 3.28Å; D655-S657 PolarHBondContact O-N 3.05Å; S657-R661 WeakPolarHBondContact O-CB 3.24Å; S657-R661 VanDerWaalsContact O-CG 3.3Å; S657-R661 WeakPolarHBondContact O-CG 3.46Å; S657-R661 PolarHBondContact O-N 2.95Å; S657-R661 PolarHBondContact O-NE 3.22Å |
| 658 | K | 84.6 | Confident | 81.4 | Confident | 84 Ų | 84 | 104.9 Ų | 104.9 | 37% | 0.365 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -83 | -42.4 | 171.9 | -72 | 160.3 | -150.6 | 154.2 | 0 | 111.4 | D654 D655 E656 L660 R661 T662 | D654-K658 WeakPolarHBondContact O-CE 3.47Å; D654-K658 VanDerWaalsContact O-CG 3.28Å; D654-K658 WeakPolarHBondContact O-CG 3.41Å; D654-K658 PolarHBondContact O-N 2.92Å; D654-K658 WeakPolarHBondContact OD1-CE 3.44Å; D654-K658 IonicContact OD1-NZ 3.71Å; D654-K658 WeakPolarHBondContact OD2-CE 3.33Å; D654-K658 IonicContact OD2-NZ 3.65Å; D654-K658 PolarHBondContact OD2-NZ 2.79Å; D655-K658 WeakPolarHBondContact O-CA 3.33Å; D655-K658 WeakPolarHBondContact O-CB 3.38Å; D655-K658 PolarHBondContact O-N 3.31Å; D655-K658 IonicContact OD1-NZ 2.69Å; D655-K658 PolarHBondContact OD1-NZ 3.21Å; E656-K658 PolarHBondContact O-N 3.03Å; K658-L660 VanDerWaalsContact C-N 3.35Å; K658-R661 PolarHBondContact O-N 3.14Å; K658-T662 PolarHBondContact O-N 3.21Å; K658-T662 PolarHBondContact O-OG1 3.14Å; K658-T662 VanDerWaalsContact O-OG1 3.06Å |
| 659 | D | 82.6 | Confident | 81.6 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -48.8 | 172.1 | -173.8 | 80.2 | 0 | 0 | 0 | 110.3 | D655 E656 R661 T662 R663 | D655-D659 PolarHBondContact O-N 3.05Å; E656-D659 PolarHBondContact O-N 3.39Å; D659-R661 VanDerWaalsContact C-N 3.29Å; D659-R661 PolarHBondContact O-N 3.09Å; D659-T662 PolarHBondContact O-N 3.21Å; D659-T662 PolarHBondContact O-OG1 2.87Å; D659-T662 VanDerWaalsContact O-OG1 3.1Å; D659-R663 WeakPolarHBondContact O-CB 3.38Å; D659-R663 PolarHBondContact O-N 3.06Å; D659-R663 IonicContact OD2-NH1 3Å; D659-R663 PolarHBondContact OD2-NH1 3.23Å |
| 660 | L | 79.2 | Confident | 81.8 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -37.7 | 177.7 | -69.4 | 172.9 | 0 | 0 | 0 | 112.5 | E656 K658 L664 | E656-L660 WeakPolarHBondContact O-CB 3.32Å; E656-L660 WeakPolarHBondContact O-CG 3.42Å; E656-L660 PolarHBondContact O-N 3.35Å; K658-L660 VanDerWaalsContact C-N 3.35Å; L660-L664 VanDerWaalsContact O-CB 3.31Å; L660-L664 WeakPolarHBondContact O-CB 3.39Å; L660-L664 WeakPolarHBondContact O-CG 3.32Å; L660-L664 PolarHBondContact O-N 3Å |
| 661 | R | 81.9 | Confident | 81.9 | Confident | 142 Ų | 142 | 102.1 Ų | 102.1 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.3 | -43.3 | 176.5 | -82.2 | 178.8 | -75.8 | -163.7 | 0.2 | 113.1 | D654 S657 K658 D659 R663 L664 H665 | D654-R661 IonicContact OD1-NH2 3.72Å; D654-R661 PolarHBondContact OD1-NH2 2.72Å; S657-R661 WeakPolarHBondContact O-CB 3.24Å; S657-R661 VanDerWaalsContact O-CG 3.3Å; S657-R661 WeakPolarHBondContact O-CG 3.46Å; S657-R661 PolarHBondContact O-N 2.95Å; S657-R661 PolarHBondContact O-NE 3.22Å; K658-R661 PolarHBondContact O-N 3.14Å; D659-R661 VanDerWaalsContact C-N 3.29Å; D659-R661 PolarHBondContact O-N 3.09Å; R661-R663 VanDerWaalsContact C-N 3.33Å; R661-L664 PolarHBondContact O-N 3.47Å; R661-H665 WeakPolarHBondContact O-CB 3.4Å; R661-H665 PolarHBondContact O-N 3.27Å |
| 662 | T | 83.5 | Confident | 81.9 | Confident | 94 Ų | 94 | 96.4 Ų | 96.4 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.2 | -33.2 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | K658 D659 H665 A666 | K658-T662 PolarHBondContact O-N 3.21Å; K658-T662 PolarHBondContact O-OG1 3.14Å; K658-T662 VanDerWaalsContact O-OG1 3.06Å; D659-T662 PolarHBondContact O-N 3.21Å; D659-T662 PolarHBondContact O-OG1 2.87Å; D659-T662 VanDerWaalsContact O-OG1 3.1Å; T662-H665 PolarHBondContact O-N 3.29Å; T662-A666 WeakPolarHBondContact O-CB 3.5Å; T662-A666 PolarHBondContact O-N 2.94Å |
| 663 | R | 82.9 | Confident | 82.1 | Confident | 144 Ų | 144 | 92.9 Ų | 92.9 | 54% | 0.543 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.8 | -39.7 | 174.5 | -164.2 | 178.5 | -159.6 | 134.3 | -1.1 | 112.4 | D659 R661 A666 F667 | D659-R663 WeakPolarHBondContact O-CB 3.38Å; D659-R663 PolarHBondContact O-N 3.06Å; D659-R663 IonicContact OD2-NH1 3Å; D659-R663 PolarHBondContact OD2-NH1 3.23Å; R661-R663 VanDerWaalsContact C-N 3.33Å; R663-A666 PolarHBondContact O-N 2.65Å; R663-F667 HydrophobicContact CG-CD2 4.45Å; R663-F667 HydrophobicContact CG-CE2 3.97Å; R663-F667 WeakPolarHBondContact O-CD2 3.47Å; R663-F667 PolarHBondContact O-N 2.69Å |
| 664 | L | 76.6 | Confident | 82.3 | Confident | 104 Ų | 104 | 94 Ų | 94 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 167.5 | -87.1 | 166.8 | 0 | 0 | 0 | 110.9 | L660 R661 A666 F667 E668 | L660-L664 VanDerWaalsContact O-CB 3.31Å; L660-L664 WeakPolarHBondContact O-CB 3.39Å; L660-L664 WeakPolarHBondContact O-CG 3.32Å; L660-L664 PolarHBondContact O-N 3Å; R661-L664 PolarHBondContact O-N 3.47Å; L664-A666 VanDerWaalsContact C-N 3.31Å; L664-A666 PolarHBondContact O-N 3.05Å; L664-F667 CarbonylContact O-C 3.55Å; L664-F667 WeakPolarHBondContact O-CA 2.92Å; L664-F667 WeakPolarHBondContact O-CB 3.44Å; L664-F667 PolarHBondContact O-N 3.47Å; L664-E668 WeakPolarHBondContact O-CG 3.34Å; L664-E668 PolarHBondContact O-N 3.34Å |
| 665 | H | 85.1 | Confident | 82.4 | Confident | 111 Ų | 111 | 93.7 Ų | 93.7 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 178.9 | -167.2 | 53.9 | 0 | 0 | 0 | 113 | R661 T662 F667 E668 V669 | R661-H665 WeakPolarHBondContact O-CB 3.4Å; R661-H665 PolarHBondContact O-N 3.27Å; T662-H665 PolarHBondContact O-N 3.29Å; H665-F667 VanDerWaalsContact C-N 3.29Å; H665-F667 PolarHBondContact O-N 3.42Å; H665-E668 WeakPolarHBondContact CA-OE2 3.17Å; H665-E668 IonicContact CE1-OE2 3.98Å; H665-E668 IonicContact CG-OE2 3.47Å; H665-E668 IonicContact ND1-OE2 2.83Å; H665-E668 PolarHBondContact ND1-OE2 3.38Å; H665-E668 WeakPolarHBondContact O-CB 3.1Å; H665-E668 PolarHBondContact O-N 2.92Å; H665-V669 WeakPolarHBondContact O-CG2 3.39Å; H665-V669 PolarHBondContact O-N 3.36Å |
| 666 | A | 81.3 | Confident | 82.3 | Confident | 59 Ų | 59 | 93.9 Ų | 93.9 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T662 R663 L664 K670 | T662-A666 WeakPolarHBondContact O-CB 3.5Å; T662-A666 PolarHBondContact O-N 2.94Å; R663-A666 PolarHBondContact O-N 2.65Å; L664-A666 VanDerWaalsContact C-N 3.31Å; L664-A666 PolarHBondContact O-N 3.05Å; A666-K670 WeakPolarHBondContact O-CB 3.48Å; A666-K670 PolarHBondContact O-N 3.37Å; A666-K670 VanDerWaalsContact O-N 3.08Å |
| 667 | F | 82.9 | Confident | 82.5 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.4 | -38.8 | 170.1 | -70.6 | -54.6 | 0 | 0 | 0 | 112.6 | R663 L664 H665 K670 I671 | R663-F667 HydrophobicContact CG-CD2 4.45Å; R663-F667 HydrophobicContact CG-CE2 3.97Å; R663-F667 WeakPolarHBondContact O-CD2 3.47Å; R663-F667 PolarHBondContact O-N 2.69Å; L664-F667 CarbonylContact O-C 3.55Å; L664-F667 WeakPolarHBondContact O-CA 2.92Å; L664-F667 WeakPolarHBondContact O-CB 3.44Å; L664-F667 PolarHBondContact O-N 3.47Å; H665-F667 VanDerWaalsContact C-N 3.29Å; H665-F667 PolarHBondContact O-N 3.42Å; F667-K670 CarbonylContact O-C 3.59Å; F667-K670 PolarHBondContact O-N 3.04Å; F667-I671 WeakPolarHBondContact O-CB 3.36Å; F667-I671 VanDerWaalsContact O-CG1 3.25Å; F667-I671 WeakPolarHBondContact O-CG1 3.43Å; F667-I671 PolarHBondContact O-N 3.15Å |
| 668 | E | 83.1 | Confident | 83.2 | Confident | 111 Ų | 111 | 96.3 Ų | 96.3 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -51 | 174.5 | -68.5 | 168.7 | 168.1 | 0 | 0 | 111.3 | L664 H665 K670 I671 A672 | L664-E668 WeakPolarHBondContact O-CG 3.34Å; L664-E668 PolarHBondContact O-N 3.34Å; H665-E668 WeakPolarHBondContact CA-OE2 3.17Å; H665-E668 IonicContact CE1-OE2 3.98Å; H665-E668 IonicContact CG-OE2 3.47Å; H665-E668 IonicContact ND1-OE2 2.83Å; H665-E668 PolarHBondContact ND1-OE2 3.38Å; H665-E668 WeakPolarHBondContact O-CB 3.1Å; H665-E668 PolarHBondContact O-N 2.92Å; E668-K670 VanDerWaalsContact C-N 3.28Å; E668-K670 PolarHBondContact O-N 3.11Å; E668-I671 PolarHBondContact O-N 3.06Å; E668-I671 VanDerWaalsContact O-N 3.15Å; E668-A672 PolarHBondContact O-N 3Å |
| 669 | V | 86.1 | Confident | 83.2 | Confident | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | H665 T673 | H665-V669 WeakPolarHBondContact O-CG2 3.39Å; H665-V669 PolarHBondContact O-N 3.36Å; V669-T673 WeakPolarHBondContact O-CB 3.37Å; V669-T673 WeakPolarHBondContact O-CG2 3.43Å; V669-T673 PolarHBondContact O-N 2.96Å; V669-T673 PolarHBondContact O-OG1 3Å |
| 670 | K | 87.5 | Confident | 83.2 | Confident | 125 Ų | 125 | 98 Ų | 98 | 54% | 0.543 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -32.1 | 174.9 | -171.3 | 171.8 | -177.6 | 178.5 | 0 | 112.7 | A666 F667 E668 L674 | A666-K670 WeakPolarHBondContact O-CB 3.48Å; A666-K670 PolarHBondContact O-N 3.37Å; A666-K670 VanDerWaalsContact O-N 3.08Å; F667-K670 CarbonylContact O-C 3.59Å; F667-K670 PolarHBondContact O-N 3.04Å; E668-K670 VanDerWaalsContact C-N 3.28Å; E668-K670 PolarHBondContact O-N 3.11Å; K670-L674 HydrophobicContact CG-CD1 4.18Å; K670-L674 VanDerWaalsContact O-CB 3.28Å; K670-L674 WeakPolarHBondContact O-CB 3.4Å; K670-L674 WeakPolarHBondContact O-CD1 3.34Å; K670-L674 WeakPolarHBondContact O-CG 3.32Å; K670-L674 PolarHBondContact O-N 3.09Å; K670-L674 VanDerWaalsContact O-N 3.11Å |
| 671 | I | 81.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 56% | 0.559 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.7 | -50.2 | 172.8 | -73 | 163.2 | 0 | 0 | 0 | 109.2 | F667 E668 T673 L674 T675 | F667-I671 WeakPolarHBondContact O-CB 3.36Å; F667-I671 VanDerWaalsContact O-CG1 3.25Å; F667-I671 WeakPolarHBondContact O-CG1 3.43Å; F667-I671 PolarHBondContact O-N 3.15Å; E668-I671 PolarHBondContact O-N 3.06Å; E668-I671 VanDerWaalsContact O-N 3.15Å; I671-T673 PolarHBondContact O-N 3.46Å; I671-L674 CarbonylContact O-C 3.47Å; I671-L674 WeakPolarHBondContact O-CA 3.41Å; I671-L674 WeakPolarHBondContact O-CB 3.39Å; I671-L674 PolarHBondContact O-N 3.27Å; I671-T675 PolarHBondContact O-N 3.31Å; I671-T675 PolarHBondContact O-OG1 3.27Å |
| 672 | A | 84.1 | Confident | 83.2 | Confident | 48 Ų | 48 | 93.5 Ų | 93.5 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -54.6 | -53.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E668 L674 T675 D676 | E668-A672 PolarHBondContact O-N 3Å; A672-L674 PolarHBondContact O-N 3.49Å; A672-L674 VanDerWaalsContact O-N 3.14Å; A672-T675 CarbonylContact O-C 3.5Å; A672-T675 WeakPolarHBondContact O-CA 3.39Å; A672-T675 WeakPolarHBondContact O-CB 3.49Å; A672-T675 PolarHBondContact O-N 3.01Å; A672-D676 VanDerWaalsContact O-CG 3.23Å; A672-D676 PolarHBondContact O-N 3.16Å |
| 673 | T | 85.8 | Confident | 83.1 | Confident | 56 Ų | 56 | 92.8 Ų | 92.8 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.9 | -6.1 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 114.9 | V669 I671 K677 | V669-T673 WeakPolarHBondContact O-CB 3.37Å; V669-T673 WeakPolarHBondContact O-CG2 3.43Å; V669-T673 PolarHBondContact O-N 2.96Å; V669-T673 PolarHBondContact O-OG1 3Å; I671-T673 PolarHBondContact O-N 3.46Å; T673-K677 WeakPolarHBondContact O-CD 3.25Å; T673-K677 VanDerWaalsContact O-CG 3.24Å; T673-K677 WeakPolarHBondContact O-CG 3.4Å |
| 674 | L | 81.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 92.3 Ų | 92.3 | 45% | 0.45 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -91.9 | -36.6 | 165.3 | -78.9 | 170.3 | 0 | 0 | 0 | 111.3 | K670 I671 A672 K677 I678 | K670-L674 HydrophobicContact CG-CD1 4.18Å; K670-L674 VanDerWaalsContact O-CB 3.28Å; K670-L674 WeakPolarHBondContact O-CB 3.4Å; K670-L674 WeakPolarHBondContact O-CD1 3.34Å; K670-L674 WeakPolarHBondContact O-CG 3.32Å; K670-L674 PolarHBondContact O-N 3.09Å; K670-L674 VanDerWaalsContact O-N 3.11Å; I671-L674 CarbonylContact O-C 3.47Å; I671-L674 WeakPolarHBondContact O-CA 3.41Å; I671-L674 WeakPolarHBondContact O-CB 3.39Å; I671-L674 PolarHBondContact O-N 3.27Å; A672-L674 PolarHBondContact O-N 3.49Å; A672-L674 VanDerWaalsContact O-N 3.14Å; L674-K677 CarbonylContact O-C 3.55Å; L674-K677 PolarHBondContact O-N 3.3Å; L674-I678 WeakPolarHBondContact O-CB 3.44Å; L674-I678 VanDerWaalsContact O-CG1 3.25Å; L674-I678 WeakPolarHBondContact O-CG1 3.17Å; L674-I678 PolarHBondContact O-N 3Å |
| 675 | T | 82.3 | Confident | 83.4 | Confident | 64 Ų | 64 | 93.3 Ų | 93.3 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 169.6 | -55 | 0 | 0 | 0 | 0 | 110.5 | I671 A672 K677 I678 D679 | I671-T675 PolarHBondContact O-N 3.31Å; I671-T675 PolarHBondContact O-OG1 3.27Å; A672-T675 CarbonylContact O-C 3.5Å; A672-T675 WeakPolarHBondContact O-CA 3.39Å; A672-T675 WeakPolarHBondContact O-CB 3.49Å; A672-T675 PolarHBondContact O-N 3.01Å; T675-K677 PolarHBondContact O-N 3.15Å; T675-K677 VanDerWaalsContact O-N 3.16Å; T675-I678 CarbonylContact O-C 3.56Å; T675-I678 WeakPolarHBondContact O-CA 3.37Å; T675-I678 WeakPolarHBondContact O-CB 3.41Å; T675-I678 PolarHBondContact O-N 3.36Å; T675-D679 PolarHBondContact O-N 3.49Å |
| 676 | D | 84.7 | Confident | 83.1 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.7 | -38.4 | 175.6 | -58.7 | -32.1 | 0 | 0 | 0 | 111.6 | A672 E680 | A672-D676 VanDerWaalsContact O-CG 3.23Å; A672-D676 PolarHBondContact O-N 3.16Å; D676-E680 WeakPolarHBondContact O-CB 3.45Å; D676-E680 PolarHBondContact O-N 2.93Å |
| 677 | K | 85.1 | Confident | 83.2 | Confident | 121 Ų | 121 | 99.5 Ų | 99.5 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76 | -30.5 | 176.9 | -75.8 | 173.9 | -170.2 | 159.8 | 0 | 113.3 | T673 L674 T675 S681 | T673-K677 WeakPolarHBondContact O-CD 3.25Å; T673-K677 VanDerWaalsContact O-CG 3.24Å; T673-K677 WeakPolarHBondContact O-CG 3.4Å; L674-K677 CarbonylContact O-C 3.55Å; L674-K677 PolarHBondContact O-N 3.3Å; T675-K677 PolarHBondContact O-N 3.15Å; T675-K677 VanDerWaalsContact O-N 3.16Å; K677-S681 WeakPolarHBondContact O-CB 3.42Å; K677-S681 PolarHBondContact O-N 3.39Å; K677-S681 PolarHBondContact O-OG 3.2Å |
| 678 | I | 85 | Confident | 83 | Confident | 96 Ų | 96 | 98.9 Ų | 98.9 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -47.8 | 171.7 | -74.6 | 163 | 0 | 0 | 0 | 108.5 | L674 T675 S681 E682 | L674-I678 WeakPolarHBondContact O-CB 3.44Å; L674-I678 VanDerWaalsContact O-CG1 3.25Å; L674-I678 WeakPolarHBondContact O-CG1 3.17Å; L674-I678 PolarHBondContact O-N 3Å; T675-I678 CarbonylContact O-C 3.56Å; T675-I678 WeakPolarHBondContact O-CA 3.37Å; T675-I678 WeakPolarHBondContact O-CB 3.41Å; T675-I678 PolarHBondContact O-N 3.36Å; I678-S681 WeakPolarHBondContact CA-OG 3.28Å; I678-S681 CarbonylContact O-C 3.56Å; I678-S681 WeakPolarHBondContact O-CA 3.4Å; I678-S681 WeakPolarHBondContact O-CB 3.31Å; I678-S681 PolarHBondContact O-N 2.95Å; I678-S681 PolarHBondContact O-OG 3.5Å; I678-E682 HydrophobicContact CG2-CG 4.27Å; I678-E682 WeakPolarHBondContact O-CB 3.4Å; I678-E682 WeakPolarHBondContact O-CG 3.49Å; I678-E682 PolarHBondContact O-N 2.8Å |
| 679 | D | 84.2 | Confident | 82.8 | Confident | 92 Ų | 92 | 98.2 Ų | 98.2 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 178.2 | -68.2 | -6.5 | 0 | 0 | 0 | 111.8 | T675 S681 E682 S683 | T675-D679 PolarHBondContact O-N 3.49Å; D679-S681 VanDerWaalsContact C-N 3.3Å; D679-S681 PolarHBondContact O-N 3.19Å; D679-E682 PolarHBondContact O-N 3.07Å; D679-S683 VanDerWaalsContact O-CB 3.25Å; D679-S683 WeakPolarHBondContact O-CB 3.46Å; D679-S683 PolarHBondContact O-N 3.28Å |
| 680 | E | 82.9 | Confident | 82.4 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 167.1 | -89 | -164.5 | -165 | 0 | 0 | 111.9 | D676 R684 | D676-E680 WeakPolarHBondContact O-CB 3.45Å; D676-E680 PolarHBondContact O-N 2.93Å; E680-R684 VanDerWaalsContact O-CB 3.23Å; E680-R684 WeakPolarHBondContact O-CB 3.41Å; E680-R684 WeakPolarHBondContact O-CG 3.43Å; E680-R684 PolarHBondContact O-N 3.26Å; E680-R684 IonicContact OE2-CZ 2.68Å; E680-R684 IonicContact OE2-NE 3.07Å; E680-R684 IonicContact OE2-NH2 3.56Å; E680-R684 PolarHBondContact OE2-NH2 3.42Å |
| 681 | S | 80.2 | Confident | 82 | Confident | 53 Ų | 53 | 95.9 Ų | 95.9 | 37% | 0.371 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.5 | -30 | -179.9 | 80.5 | 0 | 0 | 0 | 0 | 112.5 | K677 I678 D679 K685 | K677-S681 WeakPolarHBondContact O-CB 3.42Å; K677-S681 PolarHBondContact O-N 3.39Å; K677-S681 PolarHBondContact O-OG 3.2Å; I678-S681 WeakPolarHBondContact CA-OG 3.28Å; I678-S681 CarbonylContact O-C 3.56Å; I678-S681 WeakPolarHBondContact O-CA 3.4Å; I678-S681 WeakPolarHBondContact O-CB 3.31Å; I678-S681 PolarHBondContact O-N 2.95Å; I678-S681 PolarHBondContact O-OG 3.5Å; D679-S681 VanDerWaalsContact C-N 3.3Å; D679-S681 PolarHBondContact O-N 3.19Å; S681-K685 WeakPolarHBondContact O-CA 3.31Å; S681-K685 WeakPolarHBondContact O-CB 3.33Å; S681-K685 PolarHBondContact O-N 3.36Å |
| 682 | E | 80.9 | Confident | 81.8 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.2 | -41.9 | 173.2 | -73.8 | -107.8 | 109.6 | 0 | 0 | 110.1 | I678 D679 K685 R686 | I678-E682 HydrophobicContact CG2-CG 4.27Å; I678-E682 WeakPolarHBondContact O-CB 3.4Å; I678-E682 WeakPolarHBondContact O-CG 3.49Å; I678-E682 PolarHBondContact O-N 2.8Å; D679-E682 PolarHBondContact O-N 3.07Å; E682-K685 PolarHBondContact O-N 3.03Å; E682-K685 IonicContact OE1-NZ 3.91Å; E682-K685 PolarHBondContact OE1-NZ 3.23Å; E682-R686 VanDerWaalsContact O-CB 3.24Å; E682-R686 WeakPolarHBondContact O-CB 3.44Å; E682-R686 PolarHBondContact O-N 2.8Å |
| 683 | S | 82.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | D679 K685 R686 H687 | D679-S683 VanDerWaalsContact O-CB 3.25Å; D679-S683 WeakPolarHBondContact O-CB 3.46Å; D679-S683 PolarHBondContact O-N 3.28Å; S683-K685 PolarHBondContact O-N 3.41Å; S683-R686 PolarHBondContact O-N 2.68Å; S683-H687 PolarHBondContact O-N 2.93Å |
| 684 | R | 83 | Confident | 80.9 | Confident | 134 Ų | 134 | 98 Ų | 98 | 51% | 0.506 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 173.5 | -77.6 | -175.7 | -89.8 | 126.2 | -9.9 | 112.4 | E680 L688 | E680-R684 VanDerWaalsContact O-CB 3.23Å; E680-R684 WeakPolarHBondContact O-CB 3.41Å; E680-R684 WeakPolarHBondContact O-CG 3.43Å; E680-R684 PolarHBondContact O-N 3.26Å; E680-R684 IonicContact OE2-CZ 2.68Å; E680-R684 IonicContact OE2-NE 3.07Å; E680-R684 IonicContact OE2-NH2 3.56Å; E680-R684 PolarHBondContact OE2-NH2 3.42Å; R684-L688 WeakPolarHBondContact O-CA 3.42Å; R684-L688 WeakPolarHBondContact O-CB 3.46Å; R684-L688 WeakPolarHBondContact O-CG 2.82Å; R684-L688 PolarHBondContact O-N 3.14Å |
| 685 | K | 81.5 | Confident | 80.5 | Confident | 125 Ų | 125 | 98 Ų | 98 | 54% | 0.543 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 172.9 | 167 | -175.5 | 156.2 | -158.1 | 0 | 111.5 | S681 E682 S683 L688 Q689 | S681-K685 WeakPolarHBondContact O-CA 3.31Å; S681-K685 WeakPolarHBondContact O-CB 3.33Å; S681-K685 PolarHBondContact O-N 3.36Å; E682-K685 PolarHBondContact O-N 3.03Å; E682-K685 IonicContact OE1-NZ 3.91Å; E682-K685 PolarHBondContact OE1-NZ 3.23Å; S683-K685 PolarHBondContact O-N 3.41Å; K685-L688 CarbonylContact O-C 3.58Å; K685-Q689 VanDerWaalsContact O-CB 3.3Å; K685-Q689 WeakPolarHBondContact O-CB 3.46Å; K685-Q689 PolarHBondContact O-N 3.4Å |
| 686 | R | 79.3 | Confident | 80.1 | Confident | 186 Ų | 186 | 99 Ų | 99 | 70% | 0.702 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.4 | -44.9 | 176.4 | -174.3 | 176 | -175.9 | 161 | 2 | 111.4 | E682 S683 Q689 E690 | E682-R686 VanDerWaalsContact O-CB 3.24Å; E682-R686 WeakPolarHBondContact O-CB 3.44Å; E682-R686 PolarHBondContact O-N 2.8Å; S683-R686 PolarHBondContact O-N 2.68Å; R686-Q689 WeakPolarHBondContact O-CB 3.35Å; R686-Q689 PolarHBondContact O-N 3.37Å; R686-Q689 VanDerWaalsContact O-N 3.13Å; R686-E690 PolarHBondContact O-N 3.24Å |
| 687 | H | 82.5 | Confident | 79.2 | Confident | 115 Ų | 115 | 97.5 Ų | 97.5 | 53% | 0.532 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 174.2 | -171.3 | 50.4 | 0 | 0 | 0 | 112.2 | S683 Q689 E690 T691 | S683-H687 PolarHBondContact O-N 2.93Å; H687-Q689 VanDerWaalsContact C-N 3.28Å; H687-Q689 PolarHBondContact O-N 3.07Å; H687-E690 IonicContact ND1-OE2 2.85Å; H687-E690 PolarHBondContact ND1-OE2 3.44Å; H687-E690 VanDerWaalsContact ND1-OE2 3.07Å; H687-E690 WeakPolarHBondContact O-CB 3.28Å; H687-E690 PolarHBondContact O-N 3.04Å; H687-T691 WeakPolarHBondContact O-CB 3.3Å; H687-T691 PolarHBondContact O-N 3.19Å; H687-T691 PolarHBondContact O-OG1 3.42Å |
| 688 | L | 79.4 | Confident | 78.4 | Confident | 100 Ų | 100 | 96.2 Ų | 96.2 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.6 | -26.4 | 169.7 | -74.3 | 169.9 | 0 | 0 | 0 | 112 | R684 K685 T691 V692 | R684-L688 WeakPolarHBondContact O-CA 3.42Å; R684-L688 WeakPolarHBondContact O-CB 3.46Å; R684-L688 WeakPolarHBondContact O-CG 2.82Å; R684-L688 PolarHBondContact O-N 3.14Å; K685-L688 CarbonylContact O-C 3.58Å; L688-T691 CarbonylContact O-C 3.54Å; L688-T691 PolarHBondContact O-N 3.38Å; L688-V692 WeakPolarHBondContact O-CA 3.35Å; L688-V692 WeakPolarHBondContact O-CB 3.43Å; L688-V692 WeakPolarHBondContact O-CG2 3.3Å; L688-V692 PolarHBondContact O-N 3.25Å |
| 689 | Q | 79.3 | Confident | 77.1 | Confident | 98 Ų | 98 | 94.6 Ų | 94.6 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.9 | -47.2 | 171 | -171.6 | 65.9 | 57.5 | 0 | 0 | 110.1 | K685 R686 H687 T691 V692 D693 | K685-Q689 VanDerWaalsContact O-CB 3.3Å; K685-Q689 WeakPolarHBondContact O-CB 3.46Å; K685-Q689 PolarHBondContact O-N 3.4Å; R686-Q689 WeakPolarHBondContact O-CB 3.35Å; R686-Q689 PolarHBondContact O-N 3.37Å; R686-Q689 VanDerWaalsContact O-N 3.13Å; H687-Q689 VanDerWaalsContact C-N 3.28Å; H687-Q689 PolarHBondContact O-N 3.07Å; Q689-T691 PolarHBondContact O-N 3.32Å; Q689-V692 CarbonylContact O-C 3.51Å; Q689-V692 PolarHBondContact O-N 3.03Å; Q689-V692 VanDerWaalsContact O-N 3.09Å; Q689-D693 PolarHBondContact NE2-OD1 3.1Å; Q689-D693 WeakPolarHBondContact O-CB 3.45Å; Q689-D693 PolarHBondContact O-N 3.23Å |
| 690 | E | 78 | Confident | 76 | Confident | 104 Ų | 104 | 93.7 Ų | 93.7 | 49% | 0.486 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.9 | -41 | 170.6 | -64.8 | 168.3 | 160.2 | 0 | 0 | 111.4 | R686 H687 D693 N694 | R686-E690 PolarHBondContact O-N 3.24Å; H687-E690 IonicContact ND1-OE2 2.85Å; H687-E690 PolarHBondContact ND1-OE2 3.44Å; H687-E690 VanDerWaalsContact ND1-OE2 3.07Å; H687-E690 WeakPolarHBondContact O-CB 3.28Å; H687-E690 PolarHBondContact O-N 3.04Å; E690-D693 PolarHBondContact O-N 3.44Å; E690-N694 WeakPolarHBondContact O-CB 3.44Å; E690-N694 PolarHBondContact O-N 3.31Å; E690-N694 PolarHBondContact O-ND2 2.74Å |
| 691 | T | 78.5 | Confident | 74.7 | Confident | 45 Ų | 45 | 94.7 Ų | 94.7 | 28% | 0.276 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.7 | -33.5 | 177.5 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | H687 L688 Q689 M695 | H687-T691 WeakPolarHBondContact O-CB 3.3Å; H687-T691 PolarHBondContact O-N 3.19Å; H687-T691 PolarHBondContact O-OG1 3.42Å; L688-T691 CarbonylContact O-C 3.54Å; L688-T691 PolarHBondContact O-N 3.38Å; Q689-T691 PolarHBondContact O-N 3.32Å; T691-M695 HydrophobicContact CG2-CE 3.94Å; T691-M695 HydrophobicContact CG2-CG 4.42Å; T691-M695 HydrophobicContact CG2-SD 4.38Å; T691-M695 WeakPolarHBondContact O-CA 3.49Å; T691-M695 WeakPolarHBondContact O-CB 3.35Å; T691-M695 WeakPolarHBondContact O-CG 3.27Å; T691-M695 PolarHBondContact O-N 2.92Å |
| 692 | V | 76.5 | Confident | 73.5 | Confident | 54 Ų | 54 | 96.7 Ų | 96.7 | 33% | 0.327 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.2 | -28 | 175.6 | 161.5 | 0 | 0 | 0 | 0 | 111.4 | L688 Q689 M695 N696 | L688-V692 WeakPolarHBondContact O-CA 3.35Å; L688-V692 WeakPolarHBondContact O-CB 3.43Å; L688-V692 WeakPolarHBondContact O-CG2 3.3Å; L688-V692 PolarHBondContact O-N 3.25Å; Q689-V692 CarbonylContact O-C 3.51Å; Q689-V692 PolarHBondContact O-N 3.03Å; Q689-V692 VanDerWaalsContact O-N 3.09Å; V692-M695 HydrophobicContact CG2-CE 4.06Å; V692-M695 CarbonylContact O-C 3.57Å; V692-N696 VanDerWaalsContact CG1-ND2 3.33Å; V692-N696 WeakPolarHBondContact CG1-ND2 3.4Å; V692-N696 WeakPolarHBondContact O-CA 3.47Å; V692-N696 WeakPolarHBondContact O-CB 2.98Å; V692-N696 PolarHBondContact O-N 2.99Å; V692-N696 PolarHBondContact O-ND2 2.91Å |
| 693 | D | 77 | Confident | 72.3 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.5 | -43 | 172.8 | -64.1 | -18.4 | 0 | 0 | 0 | 109.4 | Q689 E690 N696 A697 | Q689-D693 PolarHBondContact NE2-OD1 3.1Å; Q689-D693 WeakPolarHBondContact O-CB 3.45Å; Q689-D693 PolarHBondContact O-N 3.23Å; E690-D693 PolarHBondContact O-N 3.44Å; D693-N696 PolarHBondContact O-N 2.94Å; D693-A697 WeakPolarHBondContact O-CB 3.47Å; D693-A697 PolarHBondContact O-N 3.34Å |
| 694 | N | 74.8 | Confident | 70.6 | Confident | 118 Ų | 118 | 102 Ų | 102 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.5 | -47.5 | 168 | -76.3 | -26.9 | 0 | 0 | 0 | 112.4 | E690 A697 E698 | E690-N694 WeakPolarHBondContact O-CB 3.44Å; E690-N694 PolarHBondContact O-N 3.31Å; E690-N694 PolarHBondContact O-ND2 2.74Å; N694-A697 CarbonylContact O-C 3.59Å; N694-A697 WeakPolarHBondContact O-CB 3.33Å; N694-A697 PolarHBondContact O-N 3.18Å; N694-E698 PolarHBondContact O-N 3.15Å |
| 695 | M | 72.3 | Confident | 68.6 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 41% | 0.414 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.7 | -22.2 | 179.2 | -75 | -172.3 | -56.8 | 0 | 0 | 112.7 | T691 V692 E698 I699 | T691-M695 HydrophobicContact CG2-CE 3.94Å; T691-M695 HydrophobicContact CG2-CG 4.42Å; T691-M695 HydrophobicContact CG2-SD 4.38Å; T691-M695 WeakPolarHBondContact O-CA 3.49Å; T691-M695 WeakPolarHBondContact O-CB 3.35Å; T691-M695 WeakPolarHBondContact O-CG 3.27Å; T691-M695 PolarHBondContact O-N 2.92Å; V692-M695 HydrophobicContact CG2-CE 4.06Å; V692-M695 CarbonylContact O-C 3.57Å; M695-E698 CarbonylContact O-C 3.59Å; M695-E698 PolarHBondContact O-N 3.11Å; M695-I699 WeakPolarHBondContact O-CA 3.2Å; M695-I699 WeakPolarHBondContact O-CB 3.49Å; M695-I699 WeakPolarHBondContact O-CG1 3.42Å; M695-I699 PolarHBondContact O-N 3.02Å |
| 696 | N | 75.3 | Confident | 66.9 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.2 | -35.8 | 168.4 | -80.5 | -38.8 | 0 | 0 | 0 | 110.3 | V692 D693 E698 A700 | V692-N696 VanDerWaalsContact CG1-ND2 3.33Å; V692-N696 WeakPolarHBondContact CG1-ND2 3.4Å; V692-N696 WeakPolarHBondContact O-CA 3.47Å; V692-N696 WeakPolarHBondContact O-CB 2.98Å; V692-N696 PolarHBondContact O-N 2.99Å; V692-N696 PolarHBondContact O-ND2 2.91Å; D693-N696 PolarHBondContact O-N 2.94Å; N696-E698 PolarHBondContact O-N 2.94Å; N696-A700 WeakPolarHBondContact O-CB 3.32Å; N696-A700 PolarHBondContact O-N 2.92Å |
| 697 | A | 65.1 | Low | 65.5 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -17.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D693 N694 K701 | D693-A697 WeakPolarHBondContact O-CB 3.47Å; D693-A697 PolarHBondContact O-N 3.34Å; N694-A697 CarbonylContact O-C 3.59Å; N694-A697 WeakPolarHBondContact O-CB 3.33Å; N694-A697 PolarHBondContact O-N 3.18Å; A697-K701 VanDerWaalsContact O-CE 3.3Å; A697-K701 WeakPolarHBondContact O-CE 3.32Å; A697-K701 WeakPolarHBondContact O-CG 3.47Å |
| 698 | E | 67.8 | Low | 63.1 | Low | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -99.3 | -35.7 | 174.5 | -167.3 | 137.6 | -88.6 | 0 | 0 | 114 | N694 M695 N696 A700 K701 L702 | N694-E698 PolarHBondContact O-N 3.15Å; M695-E698 CarbonylContact O-C 3.59Å; M695-E698 PolarHBondContact O-N 3.11Å; N696-E698 PolarHBondContact O-N 2.94Å; E698-A700 VanDerWaalsContact C-N 3.26Å; E698-A700 PolarHBondContact O-N 3.48Å; E698-K701 HydrophobicContact CG-CD 4.39Å; E698-K701 CarbonylContact O-C 3.49Å; E698-K701 VanDerWaalsContact O-CA 3.28Å; E698-K701 WeakPolarHBondContact O-CA 3.41Å; E698-K701 WeakPolarHBondContact O-CB 3.34Å; E698-K701 PolarHBondContact O-N 3.4Å; E698-K701 IonicContact OE1-NZ 2.8Å; E698-K701 PolarHBondContact OE1-NZ 2.96Å; E698-L702 HydrophobicContact CG-CD1 4.19Å; E698-L702 WeakPolarHBondContact O-CG 3.39Å; E698-L702 PolarHBondContact O-N 3.13Å |
| 699 | I | 58.9 | Low | 60.8 | Low | 62 Ų | 62 | 109.6 Ų | 109.6 | 32% | 0.318 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.1 | -22.8 | 172.6 | -71.4 | 169.6 | 0 | 0 | 0 | 110.2 | M695 K701 L702 R703 | M695-I699 WeakPolarHBondContact O-CA 3.2Å; M695-I699 WeakPolarHBondContact O-CB 3.49Å; M695-I699 WeakPolarHBondContact O-CG1 3.42Å; M695-I699 PolarHBondContact O-N 3.02Å; I699-K701 PolarHBondContact O-N 3.31Å; I699-L702 PolarHBondContact O-N 3.4Å; I699-R703 HydrophobicContact CG2-CB 4.41Å; I699-R703 HydrophobicContact CG2-CG 3.78Å; I699-R703 WeakPolarHBondContact O-CB 3.38Å; I699-R703 PolarHBondContact O-N 3.49Å |
| 700 | A | 60.9 | Low | 58.2 | Low | 72 Ų | 72 | 111.4 Ų | 111.4 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.9 | -29.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N696 E698 | N696-A700 WeakPolarHBondContact O-CB 3.32Å; N696-A700 PolarHBondContact O-N 2.92Å; E698-A700 VanDerWaalsContact C-N 3.26Å; E698-A700 PolarHBondContact O-N 3.48Å |
| 701 | K | 55.8 | Low | 55.8 | Low | 131 Ų | 131 | 110 Ų | 110 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -80.2 | -35.9 | 170.9 | -45.2 | 168.6 | -163.2 | 159 | 0 | 111.9 | A697 E698 I699 | A697-K701 VanDerWaalsContact O-CE 3.3Å; A697-K701 WeakPolarHBondContact O-CE 3.32Å; A697-K701 WeakPolarHBondContact O-CG 3.47Å; E698-K701 HydrophobicContact CG-CD 4.39Å; E698-K701 CarbonylContact O-C 3.49Å; E698-K701 VanDerWaalsContact O-CA 3.28Å; E698-K701 WeakPolarHBondContact O-CA 3.41Å; E698-K701 WeakPolarHBondContact O-CB 3.34Å; E698-K701 PolarHBondContact O-N 3.4Å; E698-K701 IonicContact OE1-NZ 2.8Å; E698-K701 PolarHBondContact OE1-NZ 2.96Å; I699-K701 PolarHBondContact O-N 3.31Å |
| 702 | L | 53.5 | Low | 53.5 | Low | 95 Ų | 95 | 114.5 Ų | 114.5 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -92.9 | -30.5 | -171.5 | -65.5 | 172 | 0 | 0 | 0 | 115.1 | E698 I699 A704 N705 E706 | E698-L702 HydrophobicContact CG-CD1 4.19Å; E698-L702 WeakPolarHBondContact O-CG 3.39Å; E698-L702 PolarHBondContact O-N 3.13Å; I699-L702 PolarHBondContact O-N 3.4Å; L702-A704 PolarHBondContact O-N 3.12Å; L702-N705 WeakPolarHBondContact O-CA 3.41Å; L702-N705 VanDerWaalsContact O-CB 3.26Å; L702-N705 WeakPolarHBondContact O-CB 3.47Å; L702-N705 PolarHBondContact O-N 3.42Å; L702-E706 PolarHBondContact O-N 3.5Å; L702-E706 VanDerWaalsContact O-N 3.09Å |
| 703 | R | 56.2 | Low | 51.3 | Low | 203 Ų | 203 | 115.6 Ų | 115.6 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -8.1 | 166.6 | -76.8 | 179 | -178.2 | 173.6 | 1.5 | 113.1 | I699 N705 | I699-R703 HydrophobicContact CG2-CB 4.41Å; I699-R703 HydrophobicContact CG2-CG 3.78Å; I699-R703 WeakPolarHBondContact O-CB 3.38Å; I699-R703 PolarHBondContact O-N 3.49Å; R703-N705 PolarHBondContact O-N 2.89Å |
| 704 | A | 46.4 | Very low | 48.9 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -2.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L702 | L702-A704 PolarHBondContact O-N 3.12Š|
| 705 | N | 41.1 | Very low | 46.6 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | -34.6 | -171.3 | -158.2 | 72.8 | 0 | 0 | 0 | 115 | L702 R703 | L702-N705 WeakPolarHBondContact O-CA 3.41Å; L702-N705 VanDerWaalsContact O-CB 3.26Å; L702-N705 WeakPolarHBondContact O-CB 3.47Å; L702-N705 PolarHBondContact O-N 3.42Å; R703-N705 PolarHBondContact O-N 2.89Å |
| 706 | E | 46.4 | Very low | 44.5 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | trans | -135.4 | 129.6 | -171.5 | -65.4 | -169.6 | 136 | 0 | 0 | 117.6 | L702 | L702-E706 PolarHBondContact O-N 3.5Å; L702-E706 VanDerWaalsContact O-N 3.09Å | ||
| 707 | Q | 50.3 | Low | 42.3 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -152.8 | 115 | 160.9 | -70.5 | -174.3 | -21.6 | 0 | 0 | 109.5 | ||||
| 708 | F | 32.5 | Very low | 41.1 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | 177.7 | 145 | 164.6 | -116.3 | -137.2 | 0 | 0 | 0 | 114.7 | ||||
| 709 | M | 30.6 | Very low | 39.9 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | 86.2 | 142.6 | 160.1 | -41.9 | -46.8 | -97.7 | 0 | 0 | 126 | ||||
| 710 | S | 25.1 | Very low | 39.1 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | 178.5 | 167.2 | 172.5 | 52.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 711 | G | 26.6 | Very low | 38.6 | Very low | 73 Ų | 73 | 150.6 Ų | 150.6 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 149.6 | 163.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 712 | S | 30.6 | Very low | 38.4 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 98% | 0.979 | 82% | 0.816 | S | S | * | * | trans | 83.4 | 162.9 | 163.5 | 72.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 713 | G | 31.1 | Very low | 38.4 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | cis | 176.3 | 166.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 714 | E | 25.6 | Very low | 38.5 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 96% | 0.963 | 82% | 0.822 | S | S | * | * | trans | -155.2 | 0 | -166.6 | -58.2 | 177.7 | 78.6 | 0 | 0 | 122.1 | ||||
| 715 | Q | 26.1 | Very low | 39 | Very low | 207 Ų | 207 | 145.7 Ų | 145.7 | 97% | 0.967 | 82% | 0.822 | S | S | * | * | 0 | 162.4 | 0 | -134.6 | 167.1 | 20.1 | 0 | 0 | 123.1 | |||||
| 716 | N | 28.8 | Very low | 39.8 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -164 | 179.3 | 174.8 | -161.4 | 6.4 | 0 | 0 | 0 | 118.1 | ||||
| 717 | E | 29.9 | Very low | 40.7 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | 81.7 | 121.6 | 155.2 | -167 | -178.4 | -114.2 | 0 | 0 | 124.3 | ||||
| 718 | K | 38.4 | Very low | 41.6 | Very low | 198 Ų | 198 | 141.6 Ų | 141.6 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -176.8 | -7 | 144.9 | -115.3 | 166.7 | -174.1 | 165.8 | 0 | 123.7 | L720 | K718-L720 PolarHBondContact O-N 3Š| ||
| 719 | I | 43 | Very low | 43.1 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -84.8 | 3.1 | -158.8 | -68.7 | 172.8 | 0 | 0 | 0 | 116.9 | S721 | I719-S721 PolarHBondContact O-N 3.21Š| ||
| 720 | L | 43.3 | Very low | 45.1 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -80.4 | -22.9 | -150.8 | -167.6 | 57.4 | 0 | 0 | 0 | 119.3 | K718 | K718-L720 PolarHBondContact O-N 3Š| ||
| 721 | S | 49.8 | Very low | 47.4 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -82 | -25.2 | -157.4 | 57.9 | 0 | 0 | 0 | 0 | 117.6 | I719 Q723 | I719-S721 PolarHBondContact O-N 3.21Å; S721-Q723 PolarHBondContact O-N 3.29Å |
| 722 | G | 50.6 | Low | 49.7 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -22.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | S724 | G722-S724 PolarHBondContact O-N 3.41Š|
| 723 | Q | 53.4 | Low | 51.8 | Low | 159 Ų | 159 | 137.1 Ų | 137.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -0.3 | -167.1 | -70.6 | -175.1 | -24.1 | 0 | 0 | 115.5 | S721 | S721-Q723 PolarHBondContact O-N 3.29Š|
| 724 | S | 59.8 | Low | 54 | Low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -75 | -49.7 | -166.7 | -176.4 | 0 | 0 | 0 | 0 | 114.5 | G722 I726 R727 | G722-S724 PolarHBondContact O-N 3.41Å; S724-I726 PolarHBondContact O-N 3.23Å; S724-R727 WeakPolarHBondContact O-CB 3.4Å; S724-R727 PolarHBondContact O-N 2.85Å |
| 725 | A | 56.9 | Low | 56.6 | Low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -72.9 | -31.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R727 | A725-R727 VanDerWaalsContact C-N 3.32Å |
| 726 | I | 57.3 | Low | 59.1 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 72% | 0.723 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.9 | -29.6 | -179.6 | -64.1 | 176.1 | 0 | 0 | 0 | 111.1 | S724 | S724-I726 PolarHBondContact O-N 3.23Å |
| 727 | R | 64.8 | Low | 61.5 | Low | 164 Ų | 164 | 132 Ų | 132 | 62% | 0.619 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -60.8 | -51.2 | -176.2 | -146.3 | 172.3 | -174.1 | 156.3 | 0.7 | 111.7 | S724 A725 K729 L730 D731 | S724-R727 WeakPolarHBondContact O-CB 3.4Å; S724-R727 PolarHBondContact O-N 2.85Å; A725-R727 VanDerWaalsContact C-N 3.32Å; R727-K729 VanDerWaalsContact C-N 3.32Å; R727-K729 PolarHBondContact O-N 3.26Å; R727-K729 VanDerWaalsContact O-N 3.13Å; R727-L730 PolarHBondContact O-N 3.41Å; R727-L730 VanDerWaalsContact O-N 3.07Å; R727-D731 VanDerWaalsContact C-OD2 3.26Å; R727-D731 VanDerWaalsContact O-CG 3.22Å; R727-D731 PolarHBondContact O-N 2.97Å; R727-D731 VanDerWaalsContact O-OD2 3.12Å |
| 728 | A | 69.1 | Low | 63.9 | Low | 62 Ų | 62 | 127.7 Ų | 127.7 | 51% | 0.512 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -57.3 | -34.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E732 | A728-E732 PolarHBondContact O-N 2.99Å |
| 729 | K | 64.7 | Low | 66 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.9 | -34.9 | 178.5 | -82.8 | -162.7 | 171 | -167.7 | 0 | 113.4 | R727 | R727-K729 VanDerWaalsContact C-N 3.32Å; R727-K729 PolarHBondContact O-N 3.26Å; R727-K729 VanDerWaalsContact O-N 3.13Å |
| 730 | L | 73.2 | Confident | 67.9 | Low | 99 Ų | 99 | 121.2 Ų | 121.2 | 52% | 0.518 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.5 | -42.1 | 172.7 | -75.5 | 164.5 | 0 | 0 | 0 | 110.2 | R727 E732 E733 F734 | R727-L730 PolarHBondContact O-N 3.41Å; R727-L730 VanDerWaalsContact O-N 3.07Å; L730-E732 VanDerWaalsContact C-N 3.31Å; L730-E732 PolarHBondContact O-N 3.03Å; L730-E733 PolarHBondContact O-N 3.14Å; L730-F734 HydrophobicContact CB-CD2 4.47Å; L730-F734 WeakPolarHBondContact O-CB 3.39Å; L730-F734 WeakPolarHBondContact O-CD2 3.4Å; L730-F734 PolarHBondContact O-N 3.16Å |
| 731 | D | 73.3 | Confident | 69.7 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -57.9 | -38.7 | -179.6 | -62.5 | -35.1 | 0 | 0 | 0 | 112.6 | R727 K735 | R727-D731 VanDerWaalsContact C-OD2 3.26Å; R727-D731 VanDerWaalsContact O-CG 3.22Å; R727-D731 PolarHBondContact O-N 2.97Å; R727-D731 VanDerWaalsContact O-OD2 3.12Å; D731-K735 VanDerWaalsContact O-CB 3.25Å; D731-K735 WeakPolarHBondContact O-CB 3.38Å; D731-K735 PolarHBondContact O-N 2.86Å |
| 732 | E | 74.9 | Confident | 71.2 | Confident | 117 Ų | 117 | 118.1 Ų | 118.1 | 55% | 0.547 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.4 | -38.5 | 179.6 | -167.9 | -178.9 | 172 | 0 | 0 | 113.3 | A728 L730 K735 R736 | A728-E732 PolarHBondContact O-N 2.99Å; L730-E732 VanDerWaalsContact C-N 3.31Å; L730-E732 PolarHBondContact O-N 3.03Å; E732-K735 WeakPolarHBondContact O-CB 3.36Å; E732-K735 PolarHBondContact O-N 3.44Å; E732-R736 PolarHBondContact O-N 3.25Å; E732-R736 IonicContact OE1-NH1 2.65Å; E732-R736 PolarHBondContact OE1-NH1 2.8Å |
| 733 | E | 74.5 | Confident | 72.8 | Confident | 143 Ų | 143 | 117.6 Ų | 117.6 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.7 | -37.4 | -178.4 | -162.8 | 153.8 | -139.4 | 0 | 0 | 111.6 | L730 K735 R736 Q737 | L730-E733 PolarHBondContact O-N 3.14Å; E733-K735 VanDerWaalsContact C-N 3.29Å; E733-K735 PolarHBondContact O-N 2.95Å; E733-R736 PolarHBondContact O-N 2.86Å; E733-Q737 PolarHBondContact O-N 3.19Å |
| 734 | F | 77.9 | Confident | 74.2 | Confident | 143 Ų | 143 | 115 Ų | 115 | 63% | 0.627 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.7 | -41.5 | 165.8 | -92.9 | -69.8 | 0 | 0 | 0 | 112 | L730 Q737 S738 | L730-F734 HydrophobicContact CB-CD2 4.47Å; L730-F734 WeakPolarHBondContact O-CB 3.39Å; L730-F734 WeakPolarHBondContact O-CD2 3.4Å; L730-F734 PolarHBondContact O-N 3.16Å; F734-Q737 PolarHBondContact O-N 3.21Å; F734-S738 VanDerWaalsContact O-CB 3.31Å; F734-S738 WeakPolarHBondContact O-CB 3.48Å; F734-S738 PolarHBondContact O-N 3.36Å |
| 735 | K | 79 | Confident | 75.5 | Confident | 125 Ų | 125 | 113.5 Ų | 113.5 | 54% | 0.543 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61 | -46.9 | -179.6 | 179.8 | 173.6 | 173.6 | 178.9 | 0 | 112.2 | D731 E732 E733 Q737 S738 E739 | D731-K735 VanDerWaalsContact O-CB 3.25Å; D731-K735 WeakPolarHBondContact O-CB 3.38Å; D731-K735 PolarHBondContact O-N 2.86Å; E732-K735 WeakPolarHBondContact O-CB 3.36Å; E732-K735 PolarHBondContact O-N 3.44Å; E733-K735 VanDerWaalsContact C-N 3.29Å; E733-K735 PolarHBondContact O-N 2.95Å; K735-Q737 PolarHBondContact O-N 3.14Å; K735-S738 WeakPolarHBondContact O-CB 3.46Å; K735-S738 PolarHBondContact O-N 3.32Å; K735-E739 WeakPolarHBondContact CE-OE1 3.47Å; K735-E739 HydrophobicContact CG-CG 4.39Å; K735-E739 IonicContact NZ-OE1 3.61Å; K735-E739 WeakPolarHBondContact O-CG 3.25Å; K735-E739 PolarHBondContact O-N 2.94Å |
| 736 | R | 78.9 | Confident | 77 | Confident | 167 Ų | 167 | 115.1 Ų | 115.1 | 63% | 0.63 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.1 | -41.5 | 177.8 | -86.3 | -169.3 | 170.1 | 95.2 | 0.8 | 113.2 | E732 E733 H740 | E732-R736 PolarHBondContact O-N 3.25Å; E732-R736 IonicContact OE1-NH1 2.65Å; E732-R736 PolarHBondContact OE1-NH1 2.8Å; E733-R736 PolarHBondContact O-N 2.86Å; R736-H740 PolarHBondContact O-N 3.32Å; R736-H740 VanDerWaalsContact O-N 3.16Å |
| 737 | Q | 78.7 | Confident | 78.4 | Confident | 115 Ų | 115 | 111.1 Ų | 111.1 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 175.4 | -69.1 | -169.9 | -1.8 | 0 | 0 | 111.4 | E733 F734 K735 E739 H740 Y741 | E733-Q737 PolarHBondContact O-N 3.19Å; F734-Q737 PolarHBondContact O-N 3.21Å; K735-Q737 PolarHBondContact O-N 3.14Å; Q737-E739 VanDerWaalsContact C-N 3.35Å; Q737-E739 PolarHBondContact O-N 3.46Å; Q737-H740 PolarHBondContact O-N 2.99Å; Q737-Y741 HydrophobicContact CB-CD2 4.46Å; Q737-Y741 HydrophobicContact CB-CE2 4.4Å; Q737-Y741 WeakPolarHBondContact O-CD2 3.5Å; Q737-Y741 PolarHBondContact O-N 3.14Å |
| 738 | S | 81.1 | Confident | 79.4 | Confident | 79 Ų | 79 | 108 Ų | 108 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.7 | -44.1 | 176.9 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | F734 K735 Y741 A742 | F734-S738 VanDerWaalsContact O-CB 3.31Å; F734-S738 WeakPolarHBondContact O-CB 3.48Å; F734-S738 PolarHBondContact O-N 3.36Å; K735-S738 WeakPolarHBondContact O-CB 3.46Å; K735-S738 PolarHBondContact O-N 3.32Å; S738-Y741 PolarHBondContact O-N 3.3Å; S738-A742 VanDerWaalsContact O-CB 3.22Å; S738-A742 WeakPolarHBondContact O-CB 3.43Å; S738-A742 PolarHBondContact O-N 2.98Å |
| 739 | E | 83 | Confident | 80.3 | Confident | 107 Ų | 107 | 112.7 Ų | 112.7 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.7 | -73.7 | 171.3 | 170.1 | 0 | 0 | 112.3 | K735 Q737 A742 A743 | K735-E739 WeakPolarHBondContact CE-OE1 3.47Å; K735-E739 HydrophobicContact CG-CG 4.39Å; K735-E739 IonicContact NZ-OE1 3.61Å; K735-E739 WeakPolarHBondContact O-CG 3.25Å; K735-E739 PolarHBondContact O-N 2.94Å; Q737-E739 VanDerWaalsContact C-N 3.35Å; Q737-E739 PolarHBondContact O-N 3.46Å; E739-A742 PolarHBondContact O-N 2.87Å; E739-A743 PolarHBondContact O-N 3.17Å |
| 740 | H | 82.3 | Confident | 81.4 | Confident | 134 Ų | 134 | 108.1 Ų | 108.1 | 62% | 0.62 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -44.5 | 177.3 | -169.3 | -16 | 0 | 0 | 0 | 112.3 | R736 Q737 A743 Q744 | R736-H740 PolarHBondContact O-N 3.32Å; R736-H740 VanDerWaalsContact O-N 3.16Å; Q737-H740 PolarHBondContact O-N 2.99Å; H740-A743 PolarHBondContact O-N 3.5Å; H740-Q744 PolarHBondContact O-N 3.27Å; H740-Q744 VanDerWaalsContact O-N 3.08Å |
| 741 | Y | 80.8 | Confident | 82.1 | Confident | 149 Ų | 149 | 108.1 Ų | 108.1 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -39.1 | 176 | -74.9 | -58.5 | 0 | 0 | 0 | 111.7 | Q737 S738 A743 Q744 V745 | Q737-Y741 HydrophobicContact CB-CD2 4.46Å; Q737-Y741 HydrophobicContact CB-CE2 4.4Å; Q737-Y741 WeakPolarHBondContact O-CD2 3.5Å; Q737-Y741 PolarHBondContact O-N 3.14Å; S738-Y741 PolarHBondContact O-N 3.3Å; Y741-A743 VanDerWaalsContact C-N 3.35Å; Y741-A743 PolarHBondContact O-N 3.05Å; Y741-Q744 PolarHBondContact O-N 2.91Å; Y741-V745 WeakPolarHBondContact O-CB 3.33Å; Y741-V745 VanDerWaalsContact O-CG2 3.27Å; Y741-V745 WeakPolarHBondContact O-CG2 3.46Å; Y741-V745 PolarHBondContact O-N 3.4Å |
| 742 | A | 81.3 | Confident | 82.7 | Confident | 60 Ų | 60 | 108.7 Ų | 108.7 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S738 E739 K746 | S738-A742 VanDerWaalsContact O-CB 3.22Å; S738-A742 WeakPolarHBondContact O-CB 3.43Å; S738-A742 PolarHBondContact O-N 2.98Å; E739-A742 PolarHBondContact O-N 2.87Å; A742-K746 WeakPolarHBondContact O-CB 3.5Å; A742-K746 PolarHBondContact O-N 3.27Å |
| 743 | A | 83.4 | Confident | 83.3 | Confident | 62 Ų | 62 | 108.2 Ų | 108.2 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E739 H740 Y741 K746 S747 | E739-A743 PolarHBondContact O-N 3.17Å; H740-A743 PolarHBondContact O-N 3.5Å; Y741-A743 VanDerWaalsContact C-N 3.35Å; Y741-A743 PolarHBondContact O-N 3.05Å; A743-K746 WeakPolarHBondContact O-CB 3.31Å; A743-K746 PolarHBondContact O-N 3.03Å; A743-S747 PolarHBondContact O-N 3.38Å |
| 744 | Q | 84.1 | Confident | 83.9 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 177.5 | -170.3 | 178.6 | 26.6 | 0 | 0 | 112 | H740 Y741 K746 S747 L748 | H740-Q744 PolarHBondContact O-N 3.27Å; H740-Q744 VanDerWaalsContact O-N 3.08Å; Y741-Q744 PolarHBondContact O-N 2.91Å; Q744-K746 PolarHBondContact O-N 2.98Å; Q744-S747 PolarHBondContact O-N 3.1Å; Q744-L748 HydrophobicContact CG-CD1 4.37Å; Q744-L748 WeakPolarHBondContact O-CG 3.41Å; Q744-L748 PolarHBondContact O-N 3.12Å; Q744-L748 VanDerWaalsContact O-N 3.07Å |
| 745 | V | 85.8 | Confident | 84.4 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 38% | 0.376 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -30.6 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | Y741 R749 | Y741-V745 WeakPolarHBondContact O-CB 3.33Å; Y741-V745 VanDerWaalsContact O-CG2 3.27Å; Y741-V745 WeakPolarHBondContact O-CG2 3.46Å; Y741-V745 PolarHBondContact O-N 3.4Å; V745-R749 WeakPolarHBondContact O-CD 3.31Å; V745-R749 VanDerWaalsContact O-CG 3.23Å; V745-R749 WeakPolarHBondContact O-CG 3.46Å; V745-R749 PolarHBondContact O-N 3.22Å |
| 746 | K | 89 | Confident | 84.6 | Confident | 120 Ų | 120 | 105.8 Ų | 105.8 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -51.1 | 171.2 | -170.1 | -179.8 | -177.8 | -64.8 | 0 | 111.6 | A742 A743 Q744 L748 R749 D750 | A742-K746 WeakPolarHBondContact O-CB 3.5Å; A742-K746 PolarHBondContact O-N 3.27Å; A743-K746 WeakPolarHBondContact O-CB 3.31Å; A743-K746 PolarHBondContact O-N 3.03Å; Q744-K746 PolarHBondContact O-N 2.98Å; K746-L748 VanDerWaalsContact C-N 3.29Å; K746-L748 PolarHBondContact O-N 2.79Å; K746-R749 WeakPolarHBondContact O-CB 3.49Å; K746-R749 PolarHBondContact O-N 2.95Å; K746-D750 IonicContact NZ-OD1 3.61Å; K746-D750 PolarHBondContact NZ-OD1 3.17Å; K746-D750 IonicContact NZ-OD2 2.69Å; K746-D750 PolarHBondContact NZ-OD2 3.49Å; K746-D750 VanDerWaalsContact O-CG 3.27Å; K746-D750 PolarHBondContact O-N 3.01Å |
| 747 | S | 86.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 104.1 Ų | 104.1 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -53.8 | -47 | 178.1 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | A743 Q744 R749 D750 E751 | A743-S747 PolarHBondContact O-N 3.38Å; Q744-S747 PolarHBondContact O-N 3.1Å; S747-R749 VanDerWaalsContact C-N 3.28Å; S747-R749 PolarHBondContact O-N 2.91Å; S747-D750 PolarHBondContact O-N 3.31Å; S747-E751 WeakPolarHBondContact O-CB 3.31Å; S747-E751 WeakPolarHBondContact O-CG 3.45Å; S747-E751 PolarHBondContact O-N 3.41Å; S747-E751 PolarHBondContact OG-OE1 3.32Å |
| 748 | L | 87.5 | Confident | 85.6 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -23.5 | 179.7 | -67.4 | 172.5 | 0 | 0 | 0 | 113.8 | Q744 K746 L752 | Q744-L748 HydrophobicContact CG-CD1 4.37Å; Q744-L748 WeakPolarHBondContact O-CG 3.41Å; Q744-L748 PolarHBondContact O-N 3.12Å; Q744-L748 VanDerWaalsContact O-N 3.07Å; K746-L748 VanDerWaalsContact C-N 3.29Å; K746-L748 PolarHBondContact O-N 2.79Å; L748-L752 WeakPolarHBondContact O-CB 3.14Å; L748-L752 PolarHBondContact O-N 2.95Å; L748-L752 VanDerWaalsContact O-N 3.15Å |
| 749 | R | 87.7 | Confident | 85.8 | Confident | 159 Ų | 159 | 103.6 Ų | 103.6 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -78.7 | -46.5 | 170.8 | -75.6 | 169.8 | -178.2 | 175.9 | 1.8 | 111.4 | V745 K746 S747 E751 L752 D753 | V745-R749 WeakPolarHBondContact O-CD 3.31Å; V745-R749 VanDerWaalsContact O-CG 3.23Å; V745-R749 WeakPolarHBondContact O-CG 3.46Å; V745-R749 PolarHBondContact O-N 3.22Å; K746-R749 WeakPolarHBondContact O-CB 3.49Å; K746-R749 PolarHBondContact O-N 2.95Å; S747-R749 VanDerWaalsContact C-N 3.28Å; S747-R749 PolarHBondContact O-N 2.91Å; R749-E751 VanDerWaalsContact C-N 3.28Å; R749-E751 PolarHBondContact O-N 2.93Å; R749-L752 PolarHBondContact O-N 3.3Å; R749-L752 VanDerWaalsContact O-N 3.11Å; R749-D753 WeakPolarHBondContact O-CB 3.47Å; R749-D753 PolarHBondContact O-N 3.42Å |
| 750 | D | 87.4 | Confident | 86.1 | Confident | 80 Ų | 80 | 103 Ų | 103 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 177.5 | -60.7 | -15.7 | 0 | 0 | 0 | 110.3 | K746 S747 E754 | K746-D750 IonicContact NZ-OD1 3.61Å; K746-D750 PolarHBondContact NZ-OD1 3.17Å; K746-D750 IonicContact NZ-OD2 2.69Å; K746-D750 PolarHBondContact NZ-OD2 3.49Å; K746-D750 VanDerWaalsContact O-CG 3.27Å; K746-D750 PolarHBondContact O-N 3.01Å; S747-D750 PolarHBondContact O-N 3.31Å; D750-E754 PolarHBondContact O-N 3Å |
| 751 | E | 87.2 | Confident | 86.4 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 172.7 | -74.3 | 171.4 | -119.2 | 0 | 0 | 112.9 | S747 R749 E754 K755 | S747-E751 WeakPolarHBondContact O-CB 3.31Å; S747-E751 WeakPolarHBondContact O-CG 3.45Å; S747-E751 PolarHBondContact O-N 3.41Å; S747-E751 PolarHBondContact OG-OE1 3.32Å; R749-E751 VanDerWaalsContact C-N 3.28Å; R749-E751 PolarHBondContact O-N 2.93Å; E751-E754 PolarHBondContact O-N 3.12Å; E751-K755 WeakPolarHBondContact O-CB 3.47Å; E751-K755 WeakPolarHBondContact O-CG 3.47Å; E751-K755 PolarHBondContact O-N 3Å |
| 752 | L | 86.2 | Confident | 86.6 | Confident | 101 Ų | 101 | 100.7 Ų | 100.7 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.1 | 179.9 | 63.3 | 0 | 0 | 0 | 111 | L748 R749 K755 Q756 | L748-L752 WeakPolarHBondContact O-CB 3.14Å; L748-L752 PolarHBondContact O-N 2.95Å; L748-L752 VanDerWaalsContact O-N 3.15Å; R749-L752 PolarHBondContact O-N 3.3Å; R749-L752 VanDerWaalsContact O-N 3.11Å; L752-K755 CarbonylContact O-C 3.41Å; L752-K755 PolarHBondContact O-N 2.99Å; L752-Q756 VanDerWaalsContact O-CB 3.28Å; L752-Q756 WeakPolarHBondContact O-CB 3.49Å; L752-Q756 PolarHBondContact O-N 2.92Å |
| 753 | D | 88.4 | Confident | 86.9 | Confident | 107 Ų | 107 | 102.3 Ų | 102.3 | 57% | 0.572 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.1 | -37.6 | 178.2 | -73.2 | -17.4 | 0 | 0 | 0 | 111.6 | R749 Q756 K757 | R749-D753 WeakPolarHBondContact O-CB 3.47Å; R749-D753 PolarHBondContact O-N 3.42Å; D753-Q756 PolarHBondContact O-N 3.38Å; D753-K757 WeakPolarHBondContact O-CB 3.38Å; D753-K757 PolarHBondContact O-N 3.22Å |
| 754 | E | 86.8 | Confident | 87.1 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 172.7 | -160.4 | -157.1 | 128.3 | 0 | 0 | 111.7 | D750 E751 K758 | D750-E754 PolarHBondContact O-N 3Å; E751-E754 PolarHBondContact O-N 3.12Å; E754-K758 WeakPolarHBondContact O-CG 3.44Å; E754-K758 PolarHBondContact O-N 2.82Å; E754-K758 VanDerWaalsContact O-N 3.08Å; E754-K758 WeakPolarHBondContact OE1-CE 3.34Å; E754-K758 IonicContact OE1-NZ 3.42Å; E754-K758 PolarHBondContact OE1-NZ 2.91Å |
| 755 | K | 87.2 | Confident | 87.2 | Confident | 147 Ų | 147 | 104.2 Ų | 104.2 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | 174.2 | -68.6 | -72.4 | 178.2 | 178.6 | 0 | 111.7 | E751 L752 K758 L759 | E751-K755 WeakPolarHBondContact O-CB 3.47Å; E751-K755 WeakPolarHBondContact O-CG 3.47Å; E751-K755 PolarHBondContact O-N 3Å; L752-K755 CarbonylContact O-C 3.41Å; L752-K755 PolarHBondContact O-N 2.99Å; K755-K758 PolarHBondContact O-N 3.38Å; K755-L759 WeakPolarHBondContact O-CB 3.24Å; K755-L759 PolarHBondContact O-N 3.03Å |
| 756 | Q | 83.9 | Confident | 86.8 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 176.8 | -162.8 | 84.5 | -12.8 | 0 | 0 | 110.2 | L752 D753 L759 E760 | L752-Q756 VanDerWaalsContact O-CB 3.28Å; L752-Q756 WeakPolarHBondContact O-CB 3.49Å; L752-Q756 PolarHBondContact O-N 2.92Å; D753-Q756 PolarHBondContact O-N 3.38Å; Q756-L759 WeakPolarHBondContact O-CB 3.19Å; Q756-L759 PolarHBondContact O-N 3.47Å; Q756-L759 VanDerWaalsContact O-N 3.15Å; Q756-E760 PolarHBondContact O-N 3.03Å |
| 757 | K | 90.3 | Very high | 86.7 | Confident | 131 Ų | 131 | 102.9 Ų | 102.9 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 176.8 | -175.9 | 172.7 | -175.5 | -82.7 | 0 | 112.3 | D753 L759 E760 E761 | D753-K757 WeakPolarHBondContact O-CB 3.38Å; D753-K757 PolarHBondContact O-N 3.22Å; K757-L759 VanDerWaalsContact C-N 3.28Å; K757-L759 PolarHBondContact O-N 3Å; K757-E760 WeakPolarHBondContact O-CB 3.5Å; K757-E760 PolarHBondContact O-N 2.58Å; K757-E760 VanDerWaalsContact O-N 3.11Å; K757-E761 IonicContact NZ-OE1 3.82Å; K757-E761 PolarHBondContact NZ-OE1 2.85Å; K757-E761 WeakPolarHBondContact O-CG 3.49Å; K757-E761 PolarHBondContact O-N 2.9Å |
| 758 | K | 88.5 | Confident | 86.6 | Confident | 86 Ų | 86 | 104 Ų | 104 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -31.7 | 175.2 | -75.7 | 172.3 | 173 | 172.8 | 0 | 112.7 | E754 K755 Y762 | E754-K758 WeakPolarHBondContact O-CG 3.44Å; E754-K758 PolarHBondContact O-N 2.82Å; E754-K758 VanDerWaalsContact O-N 3.08Å; E754-K758 WeakPolarHBondContact OE1-CE 3.34Å; E754-K758 IonicContact OE1-NZ 3.42Å; E754-K758 PolarHBondContact OE1-NZ 2.91Å; K755-K758 PolarHBondContact O-N 3.38Å; K758-Y762 WeakPolarHBondContact O-CD2 3.46Å; K758-Y762 PolarHBondContact O-N 2.85Å |
| 759 | L | 84.1 | Confident | 86.2 | Confident | 98 Ų | 98 | 105.5 Ų | 105.5 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 172.1 | -123.7 | 166.8 | 0 | 0 | 0 | 111.9 | K755 Q756 K757 K763 | K755-L759 WeakPolarHBondContact O-CB 3.24Å; K755-L759 PolarHBondContact O-N 3.03Å; Q756-L759 WeakPolarHBondContact O-CB 3.19Å; Q756-L759 PolarHBondContact O-N 3.47Å; Q756-L759 VanDerWaalsContact O-N 3.15Å; K757-L759 VanDerWaalsContact C-N 3.28Å; K757-L759 PolarHBondContact O-N 3Å; L759-K763 VanDerWaalsContact O-CG 3.22Å; L759-K763 WeakPolarHBondContact O-CG 3.26Å; L759-K763 PolarHBondContact O-N 3.11Å; L759-K763 VanDerWaalsContact O-N 3.11Å |
| 760 | E | 90.1 | Very high | 86.2 | Confident | 94 Ų | 94 | 103.5 Ų | 103.5 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -48 | 173 | -136.8 | 69.7 | 174.4 | 0 | 0 | 111 | Q756 K757 Y762 K763 D764 | Q756-E760 PolarHBondContact O-N 3.03Å; K757-E760 WeakPolarHBondContact O-CB 3.5Å; K757-E760 PolarHBondContact O-N 2.58Å; K757-E760 VanDerWaalsContact O-N 3.11Å; E760-Y762 VanDerWaalsContact C-N 3.35Å; E760-Y762 PolarHBondContact O-N 3.5Å; E760-K763 WeakPolarHBondContact O-CB 3.46Å; E760-K763 PolarHBondContact O-N 3.07Å; E760-K763 IonicContact OE1-NZ 3Å; E760-K763 IonicContact OE2-NZ 3.67Å; E760-K763 PolarHBondContact OE2-NZ 2.92Å; E760-D764 PolarHBondContact O-N 3.4Å |
| 761 | E | 87.9 | Confident | 86.2 | Confident | 81 Ų | 81 | 105.9 Ų | 105.9 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55 | -46.4 | 175.7 | -70.8 | 165.7 | 174 | 0 | 0 | 111.7 | K757 K763 D764 E765 | K757-E761 IonicContact NZ-OE1 3.82Å; K757-E761 PolarHBondContact NZ-OE1 2.85Å; K757-E761 WeakPolarHBondContact O-CG 3.49Å; K757-E761 PolarHBondContact O-N 2.9Å; E761-K763 PolarHBondContact O-N 3Å; E761-D764 PolarHBondContact O-N 3.33Å; E761-E765 PolarHBondContact O-N 3.4Å |
| 762 | Y | 86 | Confident | 85.8 | Confident | 154 Ų | 154 | 105.7 Ų | 105.7 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.8 | -26.5 | 176.2 | -67.6 | -43.2 | 0 | 0 | 0 | 114.4 | K758 E760 A766 | K758-Y762 WeakPolarHBondContact O-CD2 3.46Å; K758-Y762 PolarHBondContact O-N 2.85Å; E760-Y762 VanDerWaalsContact C-N 3.35Å; E760-Y762 PolarHBondContact O-N 3.5Å; Y762-A766 VanDerWaalsContact O-CB 3.3Å; Y762-A766 WeakPolarHBondContact O-CB 3.33Å; Y762-A766 PolarHBondContact O-N 3.18Å |
| 763 | K | 87.4 | Confident | 85.2 | Confident | 94 Ų | 94 | 104.7 Ų | 104.7 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 170 | -74 | 165.3 | -161.9 | 165.6 | 0 | 110.5 | L759 E760 E761 A766 N767 | L759-K763 VanDerWaalsContact O-CG 3.22Å; L759-K763 WeakPolarHBondContact O-CG 3.26Å; L759-K763 PolarHBondContact O-N 3.11Å; L759-K763 VanDerWaalsContact O-N 3.11Å; E760-K763 WeakPolarHBondContact O-CB 3.46Å; E760-K763 PolarHBondContact O-N 3.07Å; E760-K763 IonicContact OE1-NZ 3Å; E760-K763 IonicContact OE2-NZ 3.67Å; E760-K763 PolarHBondContact OE2-NZ 2.92Å; E761-K763 PolarHBondContact O-N 3Å; K763-A766 PolarHBondContact O-N 2.93Å; K763-N767 WeakPolarHBondContact O-CB 3.28Å; K763-N767 PolarHBondContact O-N 2.65Å; K763-N767 PolarHBondContact O-ND2 3.39Å; K763-N767 VanDerWaalsContact O-ND2 3.13Å |
| 764 | D | 88.7 | Confident | 85.3 | Confident | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | -179.3 | -74.6 | -16.4 | 0 | 0 | 0 | 111.5 | E760 E761 N767 N768 | E760-D764 PolarHBondContact O-N 3.4Å; E761-D764 PolarHBondContact O-N 3.33Å; D764-N767 PolarHBondContact O-N 2.72Å; D764-N768 VanDerWaalsContact O-CB 3.24Å; D764-N768 WeakPolarHBondContact O-CB 3.38Å; D764-N768 PolarHBondContact O-N 3.18Å |
| 765 | E | 85.7 | Confident | 85.3 | Confident | 103 Ų | 103 | 104.8 Ų | 104.8 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 168.4 | -73.5 | -175.7 | 171.8 | 0 | 0 | 111.9 | E761 N767 N768 F769 | E761-E765 PolarHBondContact O-N 3.4Å; E765-N767 PolarHBondContact O-N 2.95Å; E765-N768 WeakPolarHBondContact O-CB 3.4Å; E765-N768 PolarHBondContact O-N 2.93Å; E765-F769 HydrophobicContact CB-CE2 4.38Å; E765-F769 WeakPolarHBondContact O-CD2 3.48Å; E765-F769 PolarHBondContact O-N 2.88Å |
| 766 | A | 77.2 | Confident | 84.7 | Confident | 56 Ų | 56 | 101.1 Ų | 101.1 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y762 K763 K770 | Y762-A766 VanDerWaalsContact O-CB 3.3Å; Y762-A766 WeakPolarHBondContact O-CB 3.33Å; Y762-A766 PolarHBondContact O-N 3.18Å; K763-A766 PolarHBondContact O-N 2.93Å; A766-K770 VanDerWaalsContact O-CB 3.28Å; A766-K770 WeakPolarHBondContact O-CB 3.29Å; A766-K770 PolarHBondContact O-N 3.48Å |
| 767 | N | 86.6 | Confident | 84.5 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 174.6 | -73.8 | -33.3 | 0 | 0 | 0 | 111.4 | K763 D764 E765 K770 F771 | K763-N767 WeakPolarHBondContact O-CB 3.28Å; K763-N767 PolarHBondContact O-N 2.65Å; K763-N767 PolarHBondContact O-ND2 3.39Å; K763-N767 VanDerWaalsContact O-ND2 3.13Å; D764-N767 PolarHBondContact O-N 2.72Å; E765-N767 PolarHBondContact O-N 2.95Å; N767-K770 PolarHBondContact O-N 3.16Å; N767-F771 WeakPolarHBondContact O-CB 3.37Å; N767-F771 PolarHBondContact O-N 2.97Å |
| 768 | N | 84.6 | Confident | 84.3 | Confident | 79 Ų | 79 | 101.6 Ų | 101.6 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 175 | 176.1 | 33.1 | 0 | 0 | 0 | 111.9 | D764 E765 K770 F771 Q772 | D764-N768 VanDerWaalsContact O-CB 3.24Å; D764-N768 WeakPolarHBondContact O-CB 3.38Å; D764-N768 PolarHBondContact O-N 3.18Å; E765-N768 WeakPolarHBondContact O-CB 3.4Å; E765-N768 PolarHBondContact O-N 2.93Å; N768-K770 VanDerWaalsContact C-N 3.33Å; N768-K770 PolarHBondContact O-N 2.84Å; N768-F771 PolarHBondContact O-N 2.65Å; N768-Q772 PolarHBondContact ND2-NE2 3.41Å; N768-Q772 WeakPolarHBondContact O-CG 3.47Å; N768-Q772 PolarHBondContact O-N 2.89Å; N768-Q772 PolarHBondContact OD1-NE2 3.06Å |
| 769 | F | 79.3 | Confident | 84.1 | Confident | 133 Ų | 133 | 102.5 Ų | 102.5 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 174.9 | -72.8 | -58.5 | 0 | 0 | 0 | 112.2 | E765 Q772 S773 | E765-F769 HydrophobicContact CB-CE2 4.38Å; E765-F769 WeakPolarHBondContact O-CD2 3.48Å; E765-F769 PolarHBondContact O-N 2.88Å; F769-Q772 PolarHBondContact O-N 3.32Å; F769-S773 WeakPolarHBondContact O-CB 3.36Å; F769-S773 PolarHBondContact O-N 3Å |
| 770 | K | 86.1 | Confident | 83.7 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 173.6 | -176.6 | -172.7 | 163.4 | -169.1 | 0 | 111.3 | A766 N767 N768 Q772 S773 E774 | A766-K770 VanDerWaalsContact O-CB 3.28Å; A766-K770 WeakPolarHBondContact O-CB 3.29Å; A766-K770 PolarHBondContact O-N 3.48Å; N767-K770 PolarHBondContact O-N 3.16Å; N768-K770 VanDerWaalsContact C-N 3.33Å; N768-K770 PolarHBondContact O-N 2.84Å; K770-Q772 VanDerWaalsContact C-N 3.32Å; K770-Q772 PolarHBondContact O-N 3.31Å; K770-S773 WeakPolarHBondContact O-CB 3.37Å; K770-S773 PolarHBondContact O-N 3.33Å; K770-S773 VanDerWaalsContact O-N 3.1Å; K770-E774 WeakPolarHBondContact CE-OE1 3.26Å; K770-E774 WeakPolarHBondContact CE-OE2 3.48Å; K770-E774 HydrophobicContact CG-CG 4.47Å; K770-E774 IonicContact NZ-OE1 2.78Å; K770-E774 PolarHBondContact NZ-OE1 3.34Å; K770-E774 WeakPolarHBondContact O-CG 3.41Å; K770-E774 PolarHBondContact O-N 3.4Å |
| 771 | F | 87.8 | Confident | 83.5 | Confident | 131 Ų | 131 | 99.2 Ų | 99.2 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.8 | -38.9 | 178.8 | 176.1 | -107.8 | 0 | 0 | 0 | 112.5 | N767 N768 E774 K775 | N767-F771 WeakPolarHBondContact O-CB 3.37Å; N767-F771 PolarHBondContact O-N 2.97Å; N768-F771 PolarHBondContact O-N 2.65Å; F771-E774 PolarHBondContact O-N 3.26Å; F771-K775 VanDerWaalsContact O-CB 3.28Å; F771-K775 WeakPolarHBondContact O-CB 3.37Å; F771-K775 PolarHBondContact O-N 3.33Å |
| 772 | Q | 79.7 | Confident | 83.5 | Confident | 95 Ų | 95 | 102.1 Ų | 102.1 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 173 | -72.2 | 177.9 | 49.2 | 0 | 0 | 112 | N768 F769 K770 K775 S776 | N768-Q772 PolarHBondContact ND2-NE2 3.41Å; N768-Q772 WeakPolarHBondContact O-CG 3.47Å; N768-Q772 PolarHBondContact O-N 2.89Å; N768-Q772 PolarHBondContact OD1-NE2 3.06Å; F769-Q772 PolarHBondContact O-N 3.32Å; K770-Q772 VanDerWaalsContact C-N 3.32Å; K770-Q772 PolarHBondContact O-N 3.31Å; Q772-K775 PolarHBondContact O-N 2.93Å; Q772-S776 WeakPolarHBondContact O-CB 3.39Å; Q772-S776 PolarHBondContact O-N 3.43Å; Q772-S776 PolarHBondContact O-OG 3.16Å |
| 773 | S | 73.9 | Confident | 83.2 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 175.7 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | F769 K770 S776 Q777 | F769-S773 WeakPolarHBondContact O-CB 3.36Å; F769-S773 PolarHBondContact O-N 3Å; K770-S773 WeakPolarHBondContact O-CB 3.37Å; K770-S773 PolarHBondContact O-N 3.33Å; K770-S773 VanDerWaalsContact O-N 3.1Å; S773-S776 PolarHBondContact O-N 3.43Å; S773-Q777 WeakPolarHBondContact O-CB 3.4Å; S773-Q777 PolarHBondContact O-N 2.93Å |
| 774 | E | 88.6 | Confident | 82.9 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.7 | -73.3 | 173.8 | 150.4 | 0 | 0 | 110.9 | K770 F771 S776 Q777 E778 | K770-E774 WeakPolarHBondContact CE-OE1 3.26Å; K770-E774 WeakPolarHBondContact CE-OE2 3.48Å; K770-E774 HydrophobicContact CG-CG 4.47Å; K770-E774 IonicContact NZ-OE1 2.78Å; K770-E774 PolarHBondContact NZ-OE1 3.34Å; K770-E774 WeakPolarHBondContact O-CG 3.41Å; K770-E774 PolarHBondContact O-N 3.4Å; F771-E774 PolarHBondContact O-N 3.26Å; E774-S776 PolarHBondContact O-N 2.9Å; E774-Q777 WeakPolarHBondContact O-CB 3.49Å; E774-Q777 PolarHBondContact O-N 2.93Å; E774-Q777 VanDerWaalsContact O-N 3.17Å; E774-E778 WeakPolarHBondContact O-CG 3.38Å; E774-E778 PolarHBondContact O-N 3.43Å |
| 775 | K | 87.4 | Confident | 82.8 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.3 | -175.9 | -176.6 | 175.7 | -172.3 | 0 | 113.3 | F771 Q772 Q777 E778 E779 | F771-K775 VanDerWaalsContact O-CB 3.28Å; F771-K775 WeakPolarHBondContact O-CB 3.37Å; F771-K775 PolarHBondContact O-N 3.33Å; Q772-K775 PolarHBondContact O-N 2.93Å; K775-Q777 VanDerWaalsContact C-N 3.32Å; K775-E778 PolarHBondContact O-N 2.84Å; K775-E779 PolarHBondContact O-N 3.44Å |
| 776 | S | 74.2 | Confident | 82.7 | Confident | 70 Ų | 70 | 101.3 Ų | 101.3 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.7 | -32.2 | 175.1 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | Q772 S773 E774 V780 | Q772-S776 WeakPolarHBondContact O-CB 3.39Å; Q772-S776 PolarHBondContact O-N 3.43Å; Q772-S776 PolarHBondContact O-OG 3.16Å; S773-S776 PolarHBondContact O-N 3.43Å; E774-S776 PolarHBondContact O-N 2.9Å; S776-V780 WeakPolarHBondContact O-CG2 3.33Å; S776-V780 PolarHBondContact O-N 2.96Å |
| 777 | Q | 79.8 | Confident | 82.7 | Confident | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 172.8 | -175 | 64.8 | 19.8 | 0 | 0 | 111.5 | S773 E774 K775 E779 V780 T781 | S773-Q777 WeakPolarHBondContact O-CB 3.4Å; S773-Q777 PolarHBondContact O-N 2.93Å; E774-Q777 WeakPolarHBondContact O-CB 3.49Å; E774-Q777 PolarHBondContact O-N 2.93Å; E774-Q777 VanDerWaalsContact O-N 3.17Å; K775-Q777 VanDerWaalsContact C-N 3.32Å; Q777-E779 PolarHBondContact O-N 2.86Å; Q777-V780 PolarHBondContact O-N 2.91Å; Q777-T781 PolarHBondContact O-N 2.88Å; Q777-T781 PolarHBondContact O-OG1 3.01Å; Q777-T781 VanDerWaalsContact O-OG1 3.05Å |
| 778 | E | 86.7 | Confident | 82.7 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.9 | -46.2 | 172.8 | -75.3 | 177.6 | 169.7 | 0 | 0 | 111.7 | E774 K775 V780 T781 R782 | E774-E778 WeakPolarHBondContact O-CG 3.38Å; E774-E778 PolarHBondContact O-N 3.43Å; K775-E778 PolarHBondContact O-N 2.84Å; E778-V780 PolarHBondContact O-N 3.23Å; E778-T781 VanDerWaalsContact CA-OG1 3.3Å; E778-T781 WeakPolarHBondContact CA-OG1 3.08Å; E778-T781 PolarHBondContact O-N 3.31Å; E778-T781 PolarHBondContact O-OG1 2.9Å; E778-R782 PolarHBondContact O-N 2.89Å |
| 779 | E | 84.6 | Confident | 82.8 | Confident | 104 Ų | 104 | 107.1 Ų | 107.1 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177 | -174.6 | 162.7 | -141.4 | 0 | 0 | 112 | K775 Q777 R782 L783 | K775-E779 PolarHBondContact O-N 3.44Å; Q777-E779 PolarHBondContact O-N 2.86Å; E779-R782 PolarHBondContact O-N 3.49Å; E779-L783 HydrophobicContact CG-CD1 4.12Å; E779-L783 WeakPolarHBondContact O-CB 3.09Å; E779-L783 VanDerWaalsContact O-CG 3.27Å; E779-L783 WeakPolarHBondContact O-CG 3.47Å; E779-L783 PolarHBondContact O-N 3.29Å |
| 780 | V | 75.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 106.7 Ų | 106.7 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 173.6 | 168 | 0 | 0 | 0 | 0 | 112.2 | S776 Q777 E778 R784 | S776-V780 WeakPolarHBondContact O-CG2 3.33Å; S776-V780 PolarHBondContact O-N 2.96Å; Q777-V780 PolarHBondContact O-N 2.91Å; E778-V780 PolarHBondContact O-N 3.23Å; V780-R784 WeakPolarHBondContact O-CG 3.46Å; V780-R784 PolarHBondContact O-N 2.88Å |
| 781 | T | 85.7 | Confident | 82.5 | Confident | 63 Ų | 63 | 104.7 Ų | 104.7 | 39% | 0.387 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 172.6 | 30.8 | 0 | 0 | 0 | 0 | 112 | Q777 E778 L783 R784 E785 | Q777-T781 PolarHBondContact O-N 2.88Å; Q777-T781 PolarHBondContact O-OG1 3.01Å; Q777-T781 VanDerWaalsContact O-OG1 3.05Å; E778-T781 VanDerWaalsContact CA-OG1 3.3Å; E778-T781 WeakPolarHBondContact CA-OG1 3.08Å; E778-T781 PolarHBondContact O-N 3.31Å; E778-T781 PolarHBondContact O-OG1 2.9Å; T781-L783 VanDerWaalsContact C-N 3.31Å; T781-L783 PolarHBondContact O-N 3.41Å; T781-R784 WeakPolarHBondContact O-CB 3.37Å; T781-R784 PolarHBondContact O-N 3.28Å; T781-E785 PolarHBondContact O-N 3.43Å |
| 782 | R | 88.4 | Confident | 82.4 | Confident | 143 Ų | 143 | 101.6 Ų | 101.6 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 177.3 | -176.8 | -168 | 138.4 | -154.3 | -8.7 | 111.8 | E778 E779 R784 E785 E786 | E778-R782 PolarHBondContact O-N 2.89Å; E779-R782 PolarHBondContact O-N 3.49Å; R782-R784 VanDerWaalsContact C-N 3.28Å; R782-R784 PolarHBondContact O-N 2.88Å; R782-E785 PolarHBondContact O-N 3.28Å; R782-E786 IonicContact CZ-OE1 3.47Å; R782-E786 VanDerWaalsContact CZ-OE1 3.28Å; R782-E786 IonicContact NE-OE1 2.67Å; R782-E786 PolarHBondContact NE-OE1 3.43Å; R782-E786 IonicContact NH2-OE1 2.67Å; R782-E786 PolarHBondContact NH2-OE1 2.94Å; R782-E786 WeakPolarHBondContact O-CB 3.28Å; R782-E786 PolarHBondContact O-N 3.07Å |
| 783 | L | 78.5 | Confident | 82.6 | Confident | 93 Ų | 93 | 105.7 Ų | 105.7 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -29 | 178 | -73.1 | 170.8 | 0 | 0 | 0 | 112.7 | E779 T781 L787 | E779-L783 HydrophobicContact CG-CD1 4.12Å; E779-L783 WeakPolarHBondContact O-CB 3.09Å; E779-L783 VanDerWaalsContact O-CG 3.27Å; E779-L783 WeakPolarHBondContact O-CG 3.47Å; E779-L783 PolarHBondContact O-N 3.29Å; T781-L783 VanDerWaalsContact C-N 3.31Å; T781-L783 PolarHBondContact O-N 3.41Å; L783-L787 WeakPolarHBondContact O-CB 3.24Å; L783-L787 PolarHBondContact O-N 2.91Å; L783-L787 VanDerWaalsContact O-N 3.09Å |
| 784 | R | 80.8 | Confident | 82.7 | Confident | 168 Ų | 168 | 106.6 Ų | 106.6 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72 | -44.3 | 171.2 | -71.2 | 171.6 | -179.2 | -165.4 | 0.8 | 111.9 | V780 T781 R782 E786 L787 E788 | V780-R784 WeakPolarHBondContact O-CG 3.46Å; V780-R784 PolarHBondContact O-N 2.88Å; T781-R784 WeakPolarHBondContact O-CB 3.37Å; T781-R784 PolarHBondContact O-N 3.28Å; R782-R784 VanDerWaalsContact C-N 3.28Å; R782-R784 PolarHBondContact O-N 2.88Å; R784-E786 VanDerWaalsContact C-N 3.34Å; R784-E786 PolarHBondContact O-N 3.42Å; R784-L787 WeakPolarHBondContact O-CB 3.4Å; R784-L787 PolarHBondContact O-N 3.23Å; R784-L787 VanDerWaalsContact O-N 3.12Å; R784-E788 PolarHBondContact O-N 2.9Å |
| 785 | E | 88.3 | Confident | 82.4 | Confident | 119 Ų | 119 | 106.2 Ų | 106.2 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 173.7 | -69.1 | 176.2 | -179.8 | 0 | 0 | 111.4 | T781 R782 L787 E788 N789 | T781-E785 PolarHBondContact O-N 3.43Å; R782-E785 PolarHBondContact O-N 3.28Å; E785-L787 VanDerWaalsContact C-N 3.28Å; E785-L787 PolarHBondContact O-N 3.13Å; E785-E788 PolarHBondContact O-N 2.68Å; E785-N789 WeakPolarHBondContact O-CB 3.41Å; E785-N789 PolarHBondContact O-N 2.78Å; E785-N789 PolarHBondContact O-ND2 2.79Å |
| 786 | E | 83.8 | Confident | 82.3 | Confident | 58 Ų | 58 | 104 Ų | 104 | 27% | 0.271 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 173.9 | -84.4 | -164.2 | -137.7 | 0 | 0 | 112.7 | R782 R784 K790 | R782-E786 IonicContact CZ-OE1 3.47Å; R782-E786 VanDerWaalsContact CZ-OE1 3.28Å; R782-E786 IonicContact NE-OE1 2.67Å; R782-E786 PolarHBondContact NE-OE1 3.43Å; R782-E786 IonicContact NH2-OE1 2.67Å; R782-E786 PolarHBondContact NH2-OE1 2.94Å; R782-E786 WeakPolarHBondContact O-CB 3.28Å; R782-E786 PolarHBondContact O-N 3.07Å; R784-E786 VanDerWaalsContact C-N 3.34Å; R784-E786 PolarHBondContact O-N 3.42Å; E786-K790 WeakPolarHBondContact O-CB 3.49Å; E786-K790 WeakPolarHBondContact O-CD 3.46Å; E786-K790 WeakPolarHBondContact O-CG 3.27Å; E786-K790 PolarHBondContact O-N 3.47Å; E786-K790 VanDerWaalsContact O-N 3.14Å; E786-K790 IonicContact OE2-NZ 3.72Å; E786-K790 PolarHBondContact OE2-NZ 3.47Å |
| 787 | L | 76 | Confident | 82.6 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.3 | -46.4 | 175.8 | -177.6 | 63.7 | 0 | 0 | 0 | 111.2 | L783 R784 E785 K790 T791 | L783-L787 WeakPolarHBondContact O-CB 3.24Å; L783-L787 PolarHBondContact O-N 2.91Å; L783-L787 VanDerWaalsContact O-N 3.09Å; R784-L787 WeakPolarHBondContact O-CB 3.4Å; R784-L787 PolarHBondContact O-N 3.23Å; R784-L787 VanDerWaalsContact O-N 3.12Å; E785-L787 VanDerWaalsContact C-N 3.28Å; E785-L787 PolarHBondContact O-N 3.13Å; L787-K790 PolarHBondContact O-N 2.62Å; L787-K790 VanDerWaalsContact O-N 3.13Å; L787-T791 PolarHBondContact O-N 3Å; L787-T791 PolarHBondContact O-OG1 2.9Å; L787-T791 VanDerWaalsContact O-OG1 3.04Å |
| 788 | E | 86.1 | Confident | 82.5 | Confident | 134 Ų | 134 | 105.1 Ų | 105.1 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 177.8 | -172.4 | 172.2 | 176.8 | 0 | 0 | 112.3 | R784 E785 K790 T791 T792 | R784-E788 PolarHBondContact O-N 2.9Å; E785-E788 PolarHBondContact O-N 2.68Å; E788-K790 VanDerWaalsContact C-N 3.3Å; E788-K790 PolarHBondContact O-N 2.63Å; E788-T791 PolarHBondContact O-N 3.45Å; E788-T792 WeakPolarHBondContact O-CG2 3.19Å; E788-T792 PolarHBondContact O-N 3.48Å; E788-T792 PolarHBondContact O-OG1 3.4Å |
| 789 | N | 87.7 | Confident | 82.6 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -32.6 | 172.7 | -80.8 | -73.9 | 0 | 0 | 0 | 112.7 | E785 T792 R793 | E785-N789 WeakPolarHBondContact O-CB 3.41Å; E785-N789 PolarHBondContact O-N 2.78Å; E785-N789 PolarHBondContact O-ND2 2.79Å; N789-T792 PolarHBondContact O-OG1 2.85Å; N789-R793 WeakPolarHBondContact O-CB 3.33Å; N789-R793 PolarHBondContact O-N 3.43Å |
| 790 | K | 81.9 | Confident | 82.4 | Confident | 123 Ų | 123 | 102 Ų | 102 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.4 | -40.7 | 174.8 | -74.2 | 162 | -162.9 | 159.2 | 0 | 111.4 | E786 L787 E788 R793 L794 | E786-K790 WeakPolarHBondContact O-CB 3.49Å; E786-K790 WeakPolarHBondContact O-CD 3.46Å; E786-K790 WeakPolarHBondContact O-CG 3.27Å; E786-K790 PolarHBondContact O-N 3.47Å; E786-K790 VanDerWaalsContact O-N 3.14Å; E786-K790 IonicContact OE2-NZ 3.72Å; E786-K790 PolarHBondContact OE2-NZ 3.47Å; L787-K790 PolarHBondContact O-N 2.62Å; L787-K790 VanDerWaalsContact O-N 3.13Å; E788-K790 VanDerWaalsContact C-N 3.3Å; E788-K790 PolarHBondContact O-N 2.63Å; K790-R793 PolarHBondContact O-N 3.31Å; K790-L794 WeakPolarHBondContact O-CB 3.43Å; K790-L794 PolarHBondContact O-N 3.5Å |
| 791 | T | 77.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -50.2 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | L787 E788 R793 L794 E795 | L787-T791 PolarHBondContact O-N 3Å; L787-T791 PolarHBondContact O-OG1 2.9Å; L787-T791 VanDerWaalsContact O-OG1 3.04Å; E788-T791 PolarHBondContact O-N 3.45Å; T791-R793 VanDerWaalsContact C-N 3.27Å; T791-R793 PolarHBondContact O-N 3.24Å; T791-L794 WeakPolarHBondContact O-CA 3.14Å; T791-L794 WeakPolarHBondContact O-CB 3.4Å; T791-L794 PolarHBondContact O-N 3.45Å; T791-E795 PolarHBondContact O-N 3.03Å |
| 792 | T | 86.2 | Confident | 82.8 | Confident | 67 Ų | 67 | 105 Ų | 105 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | E788 N789 T796 | E788-T792 WeakPolarHBondContact O-CG2 3.19Å; E788-T792 PolarHBondContact O-N 3.48Å; E788-T792 PolarHBondContact O-OG1 3.4Å; N789-T792 PolarHBondContact O-OG1 2.85Å; T792-T796 PolarHBondContact O-N 2.99Å; T792-T796 PolarHBondContact O-OG1 3.1Å |
| 793 | R | 83.9 | Confident | 82.7 | Confident | 181 Ų | 181 | 105.6 Ų | 105.6 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.2 | -27.4 | 172 | -164.7 | 164.5 | -172.2 | 122 | -0.4 | 113.2 | N789 K790 T791 T796 L797 | N789-R793 WeakPolarHBondContact O-CB 3.33Å; N789-R793 PolarHBondContact O-N 3.43Å; K790-R793 PolarHBondContact O-N 3.31Å; T791-R793 VanDerWaalsContact C-N 3.27Å; T791-R793 PolarHBondContact O-N 3.24Å; R793-T796 WeakPolarHBondContact CA-OG1 3.46Å; R793-T796 PolarHBondContact O-OG1 3.33Å; R793-L797 WeakPolarHBondContact O-CD1 3.32Å; R793-L797 VanDerWaalsContact O-CG 3.26Å; R793-L797 WeakPolarHBondContact O-CG 3.35Å; R793-L797 PolarHBondContact O-N 2.94Å |
| 794 | L | 75.8 | Confident | 82.8 | Confident | 99 Ų | 99 | 106.7 Ų | 106.7 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.6 | -48.2 | 173.7 | -167.8 | 142.7 | 0 | 0 | 0 | 110.8 | K790 T791 T796 L797 E798 | K790-L794 WeakPolarHBondContact O-CB 3.43Å; K790-L794 PolarHBondContact O-N 3.5Å; T791-L794 WeakPolarHBondContact O-CA 3.14Å; T791-L794 WeakPolarHBondContact O-CB 3.4Å; T791-L794 PolarHBondContact O-N 3.45Å; L794-T796 PolarHBondContact O-N 3.4Å; L794-L797 WeakPolarHBondContact O-CA 3.46Å; L794-L797 WeakPolarHBondContact O-CB 3.44Å; L794-L797 PolarHBondContact O-N 2.92Å; L794-E798 HydrophobicContact CD2-CG 4.21Å; L794-E798 WeakPolarHBondContact CD2-OE1 3.42Å; L794-E798 PolarHBondContact O-N 3.24Å |
| 795 | E | 82.1 | Confident | 82.9 | Confident | 82 Ų | 82 | 102.8 Ų | 102.8 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55 | -38.3 | 174.3 | -75.4 | -169.8 | -149.4 | 0 | 0 | 113.1 | T791 E798 K799 | T791-E795 PolarHBondContact O-N 3.03Å; E795-E798 PolarHBondContact O-N 3.4Å; E795-K799 WeakPolarHBondContact O-CB 3.49Å; E795-K799 WeakPolarHBondContact O-CD 3.3Å; E795-K799 VanDerWaalsContact O-CG 3.24Å; E795-K799 WeakPolarHBondContact O-CG 3.31Å; E795-K799 PolarHBondContact O-N 3.41Å; E795-K799 IonicContact OE2-NZ 2.81Å; E795-K799 PolarHBondContact OE2-NZ 3.47Å |
| 796 | T | 84.3 | Confident | 82.8 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75 | -28.6 | 178.7 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | T792 R793 L794 T800 | T792-T796 PolarHBondContact O-N 2.99Å; T792-T796 PolarHBondContact O-OG1 3.1Å; R793-T796 WeakPolarHBondContact CA-OG1 3.46Å; R793-T796 PolarHBondContact O-OG1 3.33Å; L794-T796 PolarHBondContact O-N 3.4Å; T796-T800 WeakPolarHBondContact O-CG2 3.49Å; T796-T800 PolarHBondContact O-N 3.42Å; T796-T800 PolarHBondContact O-OG1 3.04Å |
| 797 | L | 81 | Confident | 82.9 | Confident | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72 | -33.5 | 169.6 | -73.9 | 169.1 | 0 | 0 | 0 | 112.4 | R793 L794 T800 T801 | R793-L797 WeakPolarHBondContact O-CD1 3.32Å; R793-L797 VanDerWaalsContact O-CG 3.26Å; R793-L797 WeakPolarHBondContact O-CG 3.35Å; R793-L797 PolarHBondContact O-N 2.94Å; L794-L797 WeakPolarHBondContact O-CA 3.46Å; L794-L797 WeakPolarHBondContact O-CB 3.44Å; L794-L797 PolarHBondContact O-N 2.92Å; L797-T800 WeakPolarHBondContact CA-OG1 3.44Å; L797-T800 PolarHBondContact O-OG1 2.98Å; L797-T800 VanDerWaalsContact O-OG1 3.11Å; L797-T801 VanDerWaalsContact O-CB 3.31Å; L797-T801 WeakPolarHBondContact O-CB 3.48Å; L797-T801 PolarHBondContact O-N 3.02Å; L797-T801 VanDerWaalsContact O-N 3.08Å; L797-T801 PolarHBondContact O-OG1 3.48Å |
| 798 | E | 78 | Confident | 83.2 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -53 | 170.9 | -69.7 | 174.6 | 148.8 | 0 | 0 | 110.6 | L794 E795 T800 T801 E802 | L794-E798 HydrophobicContact CD2-CG 4.21Å; L794-E798 WeakPolarHBondContact CD2-OE1 3.42Å; L794-E798 PolarHBondContact O-N 3.24Å; E795-E798 PolarHBondContact O-N 3.4Å; E798-T800 PolarHBondContact O-N 2.91Å; E798-T800 VanDerWaalsContact O-N 3.16Å; E798-T801 CarbonylContact O-C 3.57Å; E798-T801 VanDerWaalsContact O-CA 3.32Å; E798-T801 WeakPolarHBondContact O-CA 3.45Å; E798-T801 WeakPolarHBondContact O-CB 3.26Å; E798-T801 PolarHBondContact O-N 3.19Å; E798-E802 PolarHBondContact O-N 3.06Å |
| 799 | K | 88.2 | Confident | 83 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -25.2 | 178.4 | -69.8 | 159.6 | -172.6 | 164.4 | 0 | 114 | E795 K803 | E795-K799 WeakPolarHBondContact O-CB 3.49Å; E795-K799 WeakPolarHBondContact O-CD 3.3Å; E795-K799 VanDerWaalsContact O-CG 3.24Å; E795-K799 WeakPolarHBondContact O-CG 3.31Å; E795-K799 PolarHBondContact O-N 3.41Å; E795-K799 IonicContact OE2-NZ 2.81Å; E795-K799 PolarHBondContact OE2-NZ 3.47Å; K799-K803 WeakPolarHBondContact O-CD 3.48Å; K799-K803 WeakPolarHBondContact O-CG 3.41Å |
| 800 | T | 81.7 | Confident | 82.8 | Confident | 71 Ų | 71 | 100 Ų | 100 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -85.6 | -16.8 | 170.2 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | T796 L797 E798 R804 | T796-T800 WeakPolarHBondContact O-CG2 3.49Å; T796-T800 PolarHBondContact O-N 3.42Å; T796-T800 PolarHBondContact O-OG1 3.04Å; L797-T800 WeakPolarHBondContact CA-OG1 3.44Å; L797-T800 PolarHBondContact O-OG1 2.98Å; L797-T800 VanDerWaalsContact O-OG1 3.11Å; E798-T800 PolarHBondContact O-N 2.91Å; E798-T800 VanDerWaalsContact O-N 3.16Å; T800-R804 WeakPolarHBondContact O-CB 3.42Å; T800-R804 PolarHBondContact O-N 3.09Å; T800-R804 PolarHBondContact O-NH2 3.34Å |
| 801 | T | 82.5 | Confident | 82.9 | Confident | 54 Ų | 54 | 99.8 Ų | 99.8 | 33% | 0.331 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -83.8 | -43.6 | 173.6 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | L797 E798 K803 R804 E805 | L797-T801 VanDerWaalsContact O-CB 3.31Å; L797-T801 WeakPolarHBondContact O-CB 3.48Å; L797-T801 PolarHBondContact O-N 3.02Å; L797-T801 VanDerWaalsContact O-N 3.08Å; L797-T801 PolarHBondContact O-OG1 3.48Å; E798-T801 CarbonylContact O-C 3.57Å; E798-T801 VanDerWaalsContact O-CA 3.32Å; E798-T801 WeakPolarHBondContact O-CA 3.45Å; E798-T801 WeakPolarHBondContact O-CB 3.26Å; E798-T801 PolarHBondContact O-N 3.19Å; T801-K803 VanDerWaalsContact C-N 3.3Å; T801-K803 PolarHBondContact O-N 2.77Å; T801-R804 VanDerWaalsContact CG2-NH1 3.33Å; T801-R804 WeakPolarHBondContact O-CA 3.45Å; T801-R804 VanDerWaalsContact O-CB 3.3Å; T801-R804 WeakPolarHBondContact O-CB 3.21Å; T801-R804 PolarHBondContact O-N 3.39Å; T801-R804 PolarHBondContact OG1-NH1 3.13Å; T801-R804 PolarHBondContact OG1-NH2 2.89Å; T801-E805 WeakPolarHBondContact O-CG 3.46Å; T801-E805 PolarHBondContact O-N 3.14Å |
| 802 | E | 86.1 | Confident | 82.9 | Confident | 133 Ų | 133 | 103.1 Ų | 103.1 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -51.6 | -49.3 | 169.9 | -65.9 | 173.6 | 145.1 | 0 | 0 | 111.4 | E798 R804 E805 Q806 | E798-E802 PolarHBondContact O-N 3.06Å; E802-R804 PolarHBondContact O-N 3.39Å; E802-E805 PolarHBondContact O-N 3.41Å; E802-Q806 PolarHBondContact O-N 3.45Å |
| 803 | K | 85.5 | Confident | 82.5 | Confident | 154 Ų | 154 | 101.7 Ų | 101.7 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -29.1 | 175.6 | -71.7 | 176.9 | -178.5 | -177.5 | 0 | 113.7 | K799 T801 A807 | K799-K803 WeakPolarHBondContact O-CD 3.48Å; K799-K803 WeakPolarHBondContact O-CG 3.41Å; T801-K803 VanDerWaalsContact C-N 3.3Å; T801-K803 PolarHBondContact O-N 2.77Å; K803-A807 WeakPolarHBondContact O-CB 3.35Å; K803-A807 PolarHBondContact O-N 3.32Å; K803-A807 VanDerWaalsContact O-N 3.08Å |
| 804 | R | 81.8 | Confident | 82.5 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -76.3 | -38 | 177.9 | -164 | -170.3 | -48.2 | 108.6 | 10.4 | 111.4 | T800 T801 E802 K808 | T800-R804 WeakPolarHBondContact O-CB 3.42Å; T800-R804 PolarHBondContact O-N 3.09Å; T800-R804 PolarHBondContact O-NH2 3.34Å; T801-R804 VanDerWaalsContact CG2-NH1 3.33Å; T801-R804 WeakPolarHBondContact O-CA 3.45Å; T801-R804 VanDerWaalsContact O-CB 3.3Å; T801-R804 WeakPolarHBondContact O-CB 3.21Å; T801-R804 PolarHBondContact O-N 3.39Å; T801-R804 PolarHBondContact OG1-NH1 3.13Å; T801-R804 PolarHBondContact OG1-NH2 2.89Å; E802-R804 PolarHBondContact O-N 3.39Å; R804-K808 WeakPolarHBondContact O-CG 3.4Å; R804-K808 PolarHBondContact O-N 2.94Å |
| 805 | E | 82.9 | Confident | 82.6 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -37.6 | 174.9 | -55.2 | -45.5 | 117.5 | 0 | 0 | 111.5 | T801 E802 K808 E809 | T801-E805 WeakPolarHBondContact O-CG 3.46Å; T801-E805 PolarHBondContact O-N 3.14Å; E802-E805 PolarHBondContact O-N 3.41Å; E805-K808 WeakPolarHBondContact O-CB 3.5Å; E805-K808 PolarHBondContact O-N 2.97Å; E805-K808 IonicContact OE1-NZ 3.37Å; E805-K808 PolarHBondContact OE1-NZ 3.34Å; E805-K808 WeakPolarHBondContact OE2-CD 3.42Å; E805-K808 IonicContact OE2-NZ 3.87Å; E805-K808 PolarHBondContact OE2-NZ 2.91Å; E805-E809 PolarHBondContact O-N 3.01Å |
| 806 | Q | 85.7 | Confident | 82.7 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 168.9 | -176.1 | 63.3 | 55.2 | 0 | 0 | 111.3 | E802 K808 E809 D810 | E802-Q806 PolarHBondContact O-N 3.45Å; Q806-K808 VanDerWaalsContact C-N 3.26Å; Q806-K808 PolarHBondContact O-N 3.2Å; Q806-E809 PolarHBondContact O-N 3Å; Q806-E809 VanDerWaalsContact O-N 3.09Å; Q806-D810 PolarHBondContact NE2-OD1 2.86Å; Q806-D810 PolarHBondContact O-N 3.16Å |
| 807 | A | 85.3 | Confident | 82.7 | Confident | 46 Ų | 46 | 100.4 Ų | 100.4 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -29.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K803 L811 | K803-A807 WeakPolarHBondContact O-CB 3.35Å; K803-A807 PolarHBondContact O-N 3.32Å; K803-A807 VanDerWaalsContact O-N 3.08Å; A807-L811 WeakPolarHBondContact O-CB 3.42Å; A807-L811 WeakPolarHBondContact O-CD1 3.42Å; A807-L811 WeakPolarHBondContact O-CG 3.36Å; A807-L811 PolarHBondContact O-N 2.8Å |
| 808 | K | 83.4 | Confident | 82.7 | Confident | 108 Ų | 108 | 99 Ų | 99 | 47% | 0.47 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 170.6 | -80.8 | 161.1 | 159.6 | 177.5 | 0 | 111.8 | R804 E805 Q806 L811 R812 | R804-K808 WeakPolarHBondContact O-CG 3.4Å; R804-K808 PolarHBondContact O-N 2.94Å; E805-K808 WeakPolarHBondContact O-CB 3.5Å; E805-K808 PolarHBondContact O-N 2.97Å; E805-K808 IonicContact OE1-NZ 3.37Å; E805-K808 PolarHBondContact OE1-NZ 3.34Å; E805-K808 WeakPolarHBondContact OE2-CD 3.42Å; E805-K808 IonicContact OE2-NZ 3.87Å; E805-K808 PolarHBondContact OE2-NZ 2.91Å; Q806-K808 VanDerWaalsContact C-N 3.26Å; Q806-K808 PolarHBondContact O-N 3.2Å; K808-L811 PolarHBondContact O-N 2.72Å; K808-R812 WeakPolarHBondContact O-CB 3.19Å; K808-R812 PolarHBondContact O-N 3.14Å |
| 809 | E | 82.1 | Confident | 83 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71 | -35.7 | -178.7 | -161.6 | 65.5 | -174.2 | 0 | 0 | 111.2 | E805 Q806 R812 G813 | E805-E809 PolarHBondContact O-N 3.01Å; Q806-E809 PolarHBondContact O-N 3Å; Q806-E809 VanDerWaalsContact O-N 3.09Å; E809-R812 WeakPolarHBondContact O-CB 3.39Å; E809-R812 PolarHBondContact O-N 2.93Å; E809-R812 VanDerWaalsContact OE2-CD 3.24Å; E809-R812 WeakPolarHBondContact OE2-CD 3.49Å; E809-R812 IonicContact OE2-NH1 3.5Å; E809-R812 PolarHBondContact OE2-NH1 3.34Å; E809-G813 PolarHBondContact O-N 2.94Å |
| 810 | D | 83.8 | Confident | 83 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 169 | -63 | -18.7 | 0 | 0 | 0 | 111.1 | Q806 R812 G813 L814 | Q806-D810 PolarHBondContact NE2-OD1 2.86Å; Q806-D810 PolarHBondContact O-N 3.16Å; D810-R812 VanDerWaalsContact C-N 3.31Å; D810-R812 PolarHBondContact O-N 2.75Å; D810-G813 PolarHBondContact O-N 2.93Å; D810-L814 WeakPolarHBondContact O-CB 3.29Å; D810-L814 PolarHBondContact O-N 3.22Å; D810-L814 VanDerWaalsContact O-N 3.1Å |
| 811 | L | 82.6 | Confident | 83.2 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -36 | 175.2 | -79.5 | 169.1 | 0 | 0 | 0 | 112.5 | A807 K808 L814 E815 | A807-L811 WeakPolarHBondContact O-CB 3.42Å; A807-L811 WeakPolarHBondContact O-CD1 3.42Å; A807-L811 WeakPolarHBondContact O-CG 3.36Å; A807-L811 PolarHBondContact O-N 2.8Å; K808-L811 PolarHBondContact O-N 2.72Å; L811-L814 CarbonylContact O-C 3.59Å; L811-L814 WeakPolarHBondContact O-CB 3.47Å; L811-L814 PolarHBondContact O-N 3.38Å; L811-E815 WeakPolarHBondContact O-CB 3.34Å; L811-E815 PolarHBondContact O-N 3.11Å |
| 812 | R | 78.5 | Confident | 83.3 | Confident | 144 Ų | 144 | 103.1 Ų | 103.1 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | 179.1 | -167 | -174 | -158.6 | 167.5 | 4.4 | 112.2 | K808 E809 D810 L814 E815 E816 | K808-R812 WeakPolarHBondContact O-CB 3.19Å; K808-R812 PolarHBondContact O-N 3.14Å; E809-R812 WeakPolarHBondContact O-CB 3.39Å; E809-R812 PolarHBondContact O-N 2.93Å; E809-R812 VanDerWaalsContact OE2-CD 3.24Å; E809-R812 WeakPolarHBondContact OE2-CD 3.49Å; E809-R812 IonicContact OE2-NH1 3.5Å; E809-R812 PolarHBondContact OE2-NH1 3.34Å; D810-R812 VanDerWaalsContact C-N 3.31Å; D810-R812 PolarHBondContact O-N 2.75Å; R812-L814 PolarHBondContact O-N 3.08Å; R812-E815 PolarHBondContact O-N 2.99Å; R812-E816 PolarHBondContact O-N 3.24Å |
| 813 | G | 78.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 102.6 Ų | 102.6 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E809 D810 T817 | E809-G813 PolarHBondContact O-N 2.94Å; D810-G813 PolarHBondContact O-N 2.93Å; G813-T817 WeakPolarHBondContact O-CB 3.34Å; G813-T817 PolarHBondContact O-N 2.89Å; G813-T817 VanDerWaalsContact O-N 3.11Å; G813-T817 PolarHBondContact O-OG1 3.02Å |
| 814 | L | 81.9 | Confident | 83.1 | Confident | 110 Ų | 110 | 98.3 Ų | 98.3 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.1 | -41 | 175.1 | -150.9 | 154.9 | 0 | 0 | 0 | 111.6 | D810 L811 R812 T817 V818 | D810-L814 WeakPolarHBondContact O-CB 3.29Å; D810-L814 PolarHBondContact O-N 3.22Å; D810-L814 VanDerWaalsContact O-N 3.1Å; L811-L814 CarbonylContact O-C 3.59Å; L811-L814 WeakPolarHBondContact O-CB 3.47Å; L811-L814 PolarHBondContact O-N 3.38Å; R812-L814 PolarHBondContact O-N 3.08Å; L814-T817 WeakPolarHBondContact O-CB 3.39Å; L814-T817 PolarHBondContact O-N 3.03Å; L814-T817 VanDerWaalsContact O-N 3.16Å; L814-V818 HydrophobicContact CD2-CG2 4.16Å; L814-V818 WeakPolarHBondContact O-CG2 3.43Å; L814-V818 PolarHBondContact O-N 2.86Å |
| 815 | E | 78.9 | Confident | 83.4 | Confident | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.3 | -47.2 | 171.8 | -176.3 | 177.9 | -165.5 | 0 | 0 | 111.5 | L811 R812 T817 V818 I819 | L811-E815 WeakPolarHBondContact O-CB 3.34Å; L811-E815 PolarHBondContact O-N 3.11Å; R812-E815 PolarHBondContact O-N 2.99Å; E815-T817 PolarHBondContact O-N 3.27Å; E815-V818 PolarHBondContact O-N 3.39Å; E815-V818 VanDerWaalsContact O-N 3.16Å; E815-I819 HydrophobicContact CG-CD1 3.97Å; E815-I819 WeakPolarHBondContact O-CG1 3.49Å; E815-I819 PolarHBondContact O-N 2.92Å |
| 816 | E | 84 | Confident | 83.4 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56 | -38.8 | 172.8 | -90.8 | -158.2 | -153.4 | 0 | 0 | 112.6 | R812 I819 K820 | R812-E816 PolarHBondContact O-N 3.24Å; E816-I819 PolarHBondContact O-N 3.28Å; E816-K820 WeakPolarHBondContact O-CB 3.48Å; E816-K820 VanDerWaalsContact O-CD 3.26Å; E816-K820 WeakPolarHBondContact O-CD 3.43Å; E816-K820 WeakPolarHBondContact O-CG 3.22Å; E816-K820 PolarHBondContact O-N 3.09Å; E816-K820 IonicContact OE2-NZ 2.68Å; E816-K820 PolarHBondContact OE2-NZ 3.28Å |
| 817 | T | 84.1 | Confident | 83.4 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 111 | G813 L814 E815 K820 E821 | G813-T817 WeakPolarHBondContact O-CB 3.34Å; G813-T817 PolarHBondContact O-N 2.89Å; G813-T817 VanDerWaalsContact O-N 3.11Å; G813-T817 PolarHBondContact O-OG1 3.02Å; L814-T817 WeakPolarHBondContact O-CB 3.39Å; L814-T817 PolarHBondContact O-N 3.03Å; L814-T817 VanDerWaalsContact O-N 3.16Å; E815-T817 PolarHBondContact O-N 3.27Å; T817-K820 PolarHBondContact O-N 3.46Å; T817-E821 PolarHBondContact O-N 3.44Å |
| 818 | V | 82.3 | Confident | 83.4 | Confident | 74 Ų | 74 | 101.1 Ų | 101.1 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | L814 E815 E821 L822 | L814-V818 HydrophobicContact CD2-CG2 4.16Å; L814-V818 WeakPolarHBondContact O-CG2 3.43Å; L814-V818 PolarHBondContact O-N 2.86Å; E815-V818 PolarHBondContact O-N 3.39Å; E815-V818 VanDerWaalsContact O-N 3.16Å; V818-E821 PolarHBondContact O-N 3.22Å; V818-L822 HydrophobicContact CG1-CD1 3.91Å; V818-L822 HydrophobicContact CG1-CG 4.36Å; V818-L822 WeakPolarHBondContact O-CB 3.48Å; V818-L822 VanDerWaalsContact O-CG 3.28Å; V818-L822 WeakPolarHBondContact O-CG 3.46Å; V818-L822 PolarHBondContact O-N 2.77Å |
| 819 | I | 83.7 | Confident | 83.6 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175.3 | -70.1 | 166.8 | 0 | 0 | 0 | 111 | E815 E816 L822 Q823 | E815-I819 HydrophobicContact CG-CD1 3.97Å; E815-I819 WeakPolarHBondContact O-CG1 3.49Å; E815-I819 PolarHBondContact O-N 2.92Å; E816-I819 PolarHBondContact O-N 3.28Å; I819-L822 PolarHBondContact O-N 3.31Å; I819-Q823 PolarHBondContact O-N 3.06Å |
| 820 | K | 87.4 | Confident | 83.9 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.5 | -71.5 | 158 | -164.1 | 164.8 | 0 | 111 | E816 T817 Q823 T824 | E816-K820 WeakPolarHBondContact O-CB 3.48Å; E816-K820 VanDerWaalsContact O-CD 3.26Å; E816-K820 WeakPolarHBondContact O-CD 3.43Å; E816-K820 WeakPolarHBondContact O-CG 3.22Å; E816-K820 PolarHBondContact O-N 3.09Å; E816-K820 IonicContact OE2-NZ 2.68Å; E816-K820 PolarHBondContact OE2-NZ 3.28Å; T817-K820 PolarHBondContact O-N 3.46Å; K820-Q823 WeakPolarHBondContact O-CB 3.28Å; K820-Q823 PolarHBondContact O-N 2.94Å; K820-Q823 VanDerWaalsContact O-N 3.16Å; K820-T824 PolarHBondContact O-N 3.28Å |
| 821 | E | 86.4 | Confident | 84 | Confident | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.4 | -30.1 | 176.7 | -68.1 | -60.6 | 170.9 | 0 | 0 | 114 | T817 V818 Q823 T824 L825 | T817-E821 PolarHBondContact O-N 3.44Å; V818-E821 PolarHBondContact O-N 3.22Å; E821-Q823 VanDerWaalsContact C-N 3.26Å; E821-Q823 PolarHBondContact O-N 3.11Å; E821-T824 WeakPolarHBondContact CA-OG1 3.49Å; E821-T824 PolarHBondContact O-N 3.28Å; E821-T824 PolarHBondContact O-OG1 2.82Å; E821-T824 PolarHBondContact OE2-OG1 3.1Å; E821-L825 WeakPolarHBondContact O-CB 3.41Å; E821-L825 PolarHBondContact O-N 2.81Å |
| 822 | L | 84.6 | Confident | 84.2 | Confident | 111 Ų | 111 | 107 Ų | 107 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -32.6 | 168.6 | -74.6 | 169.5 | 0 | 0 | 0 | 111.4 | V818 I819 H826 | V818-L822 HydrophobicContact CG1-CD1 3.91Å; V818-L822 HydrophobicContact CG1-CG 4.36Å; V818-L822 WeakPolarHBondContact O-CB 3.48Å; V818-L822 VanDerWaalsContact O-CG 3.28Å; V818-L822 WeakPolarHBondContact O-CG 3.46Å; V818-L822 PolarHBondContact O-N 2.77Å; I819-L822 PolarHBondContact O-N 3.31Å; L822-H826 WeakPolarHBondContact O-CB 3.41Å; L822-H826 PolarHBondContact O-N 2.91Å |
| 823 | Q | 82.2 | Confident | 84.6 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.5 | -39.6 | 173.1 | -81.2 | -175.8 | -22.1 | 0 | 0 | 113.5 | I819 K820 E821 L825 H826 N827 | I819-Q823 PolarHBondContact O-N 3.06Å; K820-Q823 WeakPolarHBondContact O-CB 3.28Å; K820-Q823 PolarHBondContact O-N 2.94Å; K820-Q823 VanDerWaalsContact O-N 3.16Å; E821-Q823 VanDerWaalsContact C-N 3.26Å; E821-Q823 PolarHBondContact O-N 3.11Å; Q823-L825 VanDerWaalsContact C-N 3.33Å; Q823-H826 PolarHBondContact O-N 3.01Å; Q823-N827 WeakPolarHBondContact O-CB 3.35Å; Q823-N827 PolarHBondContact O-N 3.16Å; Q823-N827 PolarHBondContact O-ND2 2.77Å |
| 824 | T | 84.3 | Confident | 84.8 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 172.7 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | K820 E821 N827 L828 | K820-T824 PolarHBondContact O-N 3.28Å; E821-T824 WeakPolarHBondContact CA-OG1 3.49Å; E821-T824 PolarHBondContact O-N 3.28Å; E821-T824 PolarHBondContact O-OG1 2.82Å; E821-T824 PolarHBondContact OE2-OG1 3.1Å; T824-N827 PolarHBondContact O-N 2.99Å; T824-L828 WeakPolarHBondContact O-CG 3.4Å; T824-L828 PolarHBondContact O-N 3.36Å |
| 825 | L | 88 | Confident | 85.1 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69 | -36.5 | 179.6 | -160.7 | 152.5 | 0 | 0 | 0 | 112.1 | E821 Q823 L828 R829 | E821-L825 WeakPolarHBondContact O-CB 3.41Å; E821-L825 PolarHBondContact O-N 2.81Å; Q823-L825 VanDerWaalsContact C-N 3.33Å; L825-L828 PolarHBondContact O-N 3.02Å; L825-R829 WeakPolarHBondContact O-CB 3.33Å; L825-R829 PolarHBondContact O-N 3.03Å |
| 826 | H | 83 | Confident | 85.2 | Confident | 116 Ų | 116 | 102.3 Ų | 102.3 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 169.9 | -173.8 | 108.8 | 0 | 0 | 0 | 111.8 | L822 Q823 R829 R830 | L822-H826 WeakPolarHBondContact O-CB 3.41Å; L822-H826 PolarHBondContact O-N 2.91Å; Q823-H826 PolarHBondContact O-N 3.01Å; H826-R829 PolarHBondContact O-N 3.38Å; H826-R830 WeakPolarHBondContact O-CB 3.4Å; H826-R830 PolarHBondContact O-N 2.69Å |
| 827 | N | 85.8 | Confident | 85.2 | Confident | 80 Ų | 80 | 101.6 Ų | 101.6 | 43% | 0.428 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 177.7 | -76.6 | -39.5 | 0 | 0 | 0 | 112 | Q823 T824 R830 L831 | Q823-N827 WeakPolarHBondContact O-CB 3.35Å; Q823-N827 PolarHBondContact O-N 3.16Å; Q823-N827 PolarHBondContact O-ND2 2.77Å; T824-N827 PolarHBondContact O-N 2.99Å; N827-R830 WeakPolarHBondContact O-CB 3.34Å; N827-R830 PolarHBondContact O-N 3.45Å; N827-L831 WeakPolarHBondContact O-CG 3.3Å; N827-L831 PolarHBondContact O-N 2.87Å |
| 828 | L | 86.4 | Confident | 85.1 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 171 | -78.7 | 164.6 | 0 | 0 | 0 | 111.7 | T824 L825 R830 L831 F832 | T824-L828 WeakPolarHBondContact O-CG 3.4Å; T824-L828 PolarHBondContact O-N 3.36Å; L825-L828 PolarHBondContact O-N 3.02Å; L828-R830 VanDerWaalsContact C-N 3.33Å; L828-R830 PolarHBondContact O-N 3.08Å; L828-L831 PolarHBondContact O-N 3.41Å; L828-F832 WeakPolarHBondContact O-CB 3.22Å; L828-F832 PolarHBondContact O-N 2.91Å |
| 829 | R | 87.3 | Confident | 85 | Confident | 165 Ų | 165 | 104.2 Ų | 104.2 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 175.2 | -176.1 | 179.3 | 179.7 | -128.5 | 1.5 | 111.9 | L825 H826 F832 I833 | L825-R829 WeakPolarHBondContact O-CB 3.33Å; L825-R829 PolarHBondContact O-N 3.03Å; H826-R829 PolarHBondContact O-N 3.38Å; R829-F832 PolarHBondContact O-N 3.21Å; R829-I833 HydrophobicContact CG-CD1 3.97Å; R829-I833 WeakPolarHBondContact O-CB 3.28Å; R829-I833 VanDerWaalsContact O-CG1 3.26Å; R829-I833 WeakPolarHBondContact O-CG1 3.49Å; R829-I833 PolarHBondContact O-N 3.34Å |
| 830 | R | 88.7 | Confident | 84.8 | Confident | 146 Ų | 146 | 105.1 Ų | 105.1 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 175.3 | 173 | -180 | 167.4 | -177.6 | -2.4 | 111.8 | H826 N827 L828 I833 Q834 | H826-R830 WeakPolarHBondContact O-CB 3.4Å; H826-R830 PolarHBondContact O-N 2.69Å; N827-R830 WeakPolarHBondContact O-CB 3.34Å; N827-R830 PolarHBondContact O-N 3.45Å; L828-R830 VanDerWaalsContact C-N 3.33Å; L828-R830 PolarHBondContact O-N 3.08Å; R830-I833 PolarHBondContact O-N 2.98Å; R830-Q834 WeakPolarHBondContact O-CG 3.43Å; R830-Q834 PolarHBondContact O-N 2.86Å |
| 831 | L | 85.8 | Confident | 84.4 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 176.2 | -72 | 168.6 | 0 | 0 | 0 | 111.7 | N827 L828 Q834 D835 | N827-L831 WeakPolarHBondContact O-CG 3.3Å; N827-L831 PolarHBondContact O-N 2.87Å; L828-L831 PolarHBondContact O-N 3.41Å; L831-Q834 PolarHBondContact O-N 3.3Å; L831-D835 PolarHBondContact O-N 3.04Å |
| 832 | F | 87.1 | Confident | 84 | Confident | 134 Ų | 134 | 108.1 Ų | 108.1 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 176.6 | -166.9 | -103.3 | 0 | 0 | 0 | 112.3 | L828 R829 Q834 D835 L836 | L828-F832 WeakPolarHBondContact O-CB 3.22Å; L828-F832 PolarHBondContact O-N 2.91Å; R829-F832 PolarHBondContact O-N 3.21Å; F832-Q834 VanDerWaalsContact C-N 3.33Å; F832-Q834 PolarHBondContact O-N 3.32Å; F832-D835 PolarHBondContact O-N 2.82Å; F832-L836 HydrophobicContact CD1-CD1 3.76Å; F832-L836 HydrophobicContact CD1-CG 4.31Å; F832-L836 HydrophobicContact CE1-CD1 3.61Å; F832-L836 HydrophobicContact CE1-CG 4.17Å; F832-L836 HydrophobicContact CZ-CD1 4.46Å; F832-L836 WeakPolarHBondContact O-CB 3.42Å; F832-L836 WeakPolarHBondContact O-CG 3.33Å; F832-L836 PolarHBondContact O-N 3.26Å |
| 833 | I | 87.1 | Confident | 83.6 | Confident | 74 Ų | 74 | 106 Ų | 106 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 172.8 | -70.2 | 166.3 | 0 | 0 | 0 | 111.2 | R829 R830 N837 | R829-I833 HydrophobicContact CG-CD1 3.97Å; R829-I833 WeakPolarHBondContact O-CB 3.28Å; R829-I833 VanDerWaalsContact O-CG1 3.26Å; R829-I833 WeakPolarHBondContact O-CG1 3.49Å; R829-I833 PolarHBondContact O-N 3.34Å; R830-I833 PolarHBondContact O-N 2.98Å; I833-N837 WeakPolarHBondContact CG2-ND2 3.41Å; I833-N837 WeakPolarHBondContact O-CB 3.44Å; I833-N837 PolarHBondContact O-N 3.29Å; I833-N837 PolarHBondContact O-ND2 3.38Å |
| 834 | Q | 81.3 | Confident | 83.2 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 175.2 | -75.9 | -178.6 | -29.6 | 0 | 0 | 112.4 | R830 L831 F832 N837 C838 | R830-Q834 WeakPolarHBondContact O-CG 3.43Å; R830-Q834 PolarHBondContact O-N 2.86Å; L831-Q834 PolarHBondContact O-N 3.3Å; F832-Q834 VanDerWaalsContact C-N 3.33Å; F832-Q834 PolarHBondContact O-N 3.32Å; Q834-N837 PolarHBondContact O-N 2.87Å; Q834-C838 WeakPolarHBondContact O-CB 3.35Å; Q834-C838 PolarHBondContact O-N 3.01Å |
| 835 | D | 88.5 | Confident | 82.7 | Confident | 64 Ų | 64 | 104.3 Ų | 104.3 | 34% | 0.342 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 174.7 | -179.8 | 43 | 0 | 0 | 0 | 111.6 | L831 F832 N837 C838 R839 | L831-D835 PolarHBondContact O-N 3.04Å; F832-D835 PolarHBondContact O-N 2.82Å; D835-N837 VanDerWaalsContact C-N 3.34Å; D835-N837 PolarHBondContact O-N 2.76Å; D835-C838 CarbonylContact O-C 3.58Å; D835-C838 WeakPolarHBondContact O-CA 3.35Å; D835-C838 WeakPolarHBondContact O-CB 3.33Å; D835-C838 PolarHBondContact O-N 2.92Å; D835-R839 WeakPolarHBondContact O-CG 3.3Å; D835-R839 PolarHBondContact O-N 3.11Å; D835-R839 IonicContact OD1-NE 3.36Å; D835-R839 PolarHBondContact OD1-NE 3.15Å; D835-R839 IonicContact OD2-CZ 2.68Å; D835-R839 IonicContact OD2-NE 3.42Å; D835-R839 PolarHBondContact OD2-NE 3.46Å; D835-R839 IonicContact OD2-NH2 3.99Å; D835-R839 PolarHBondContact OD2-NH2 3Å |
| 836 | L | 82.2 | Confident | 82 | Confident | 74 Ų | 74 | 108.2 Ų | 108.2 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.2 | -47.7 | 172.8 | -77.8 | 175 | 0 | 0 | 0 | 112 | F832 C838 R839 I840 | F832-L836 HydrophobicContact CD1-CD1 3.76Å; F832-L836 HydrophobicContact CD1-CG 4.31Å; F832-L836 HydrophobicContact CE1-CD1 3.61Å; F832-L836 HydrophobicContact CE1-CG 4.17Å; F832-L836 HydrophobicContact CZ-CD1 4.46Å; F832-L836 WeakPolarHBondContact O-CB 3.42Å; F832-L836 WeakPolarHBondContact O-CG 3.33Å; F832-L836 PolarHBondContact O-N 3.26Å; L836-C838 VanDerWaalsContact C-N 3.29Å; L836-C838 PolarHBondContact O-N 3.25Å; L836-R839 PolarHBondContact O-N 3.38Å; L836-I840 WeakPolarHBondContact O-CB 3.33Å; L836-I840 WeakPolarHBondContact O-CD1 3.2Å; L836-I840 VanDerWaalsContact O-CG1 3.25Å; L836-I840 WeakPolarHBondContact O-CG1 3.47Å; L836-I840 PolarHBondContact O-N 3.07Å |
| 837 | N | 82.3 | Confident | 81.5 | Confident | 85 Ų | 85 | 106.8 Ų | 106.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -34.3 | 175.3 | -82.6 | -64.1 | 0 | 0 | 0 | 112.7 | I833 Q834 D835 K841 | I833-N837 WeakPolarHBondContact CG2-ND2 3.41Å; I833-N837 WeakPolarHBondContact O-CB 3.44Å; I833-N837 PolarHBondContact O-N 3.29Å; I833-N837 PolarHBondContact O-ND2 3.38Å; Q834-N837 PolarHBondContact O-N 2.87Å; D835-N837 VanDerWaalsContact C-N 3.34Å; D835-N837 PolarHBondContact O-N 2.76Å; N837-K841 WeakPolarHBondContact O-CB 3.24Å; N837-K841 WeakPolarHBondContact O-CG 3.33Å; N837-K841 PolarHBondContact O-N 3.38Å |
| 838 | C | 82.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 107.6 Ų | 107.6 | 37% | 0.365 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 174.6 | -167.9 | 0 | 0 | 0 | 0 | 112 | Q834 D835 L836 K841 K842 | Q834-C838 WeakPolarHBondContact O-CB 3.35Å; Q834-C838 PolarHBondContact O-N 3.01Å; D835-C838 CarbonylContact O-C 3.58Å; D835-C838 WeakPolarHBondContact O-CA 3.35Å; D835-C838 WeakPolarHBondContact O-CB 3.33Å; D835-C838 PolarHBondContact O-N 2.92Å; L836-C838 VanDerWaalsContact C-N 3.29Å; L836-C838 PolarHBondContact O-N 3.25Å; C838-K841 PolarHBondContact O-N 3.08Å; C838-K842 WeakPolarHBondContact O-CB 3.48Å; C838-K842 WeakPolarHBondContact O-CG 3.33Å; C838-K842 PolarHBondContact O-N 3.41Å |
| 839 | R | 81.4 | Confident | 80 | Confident | 155 Ų | 155 | 104.9 Ų | 104.9 | 59% | 0.585 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 172.7 | -67.4 | 178.4 | -165.9 | -147.3 | 8.8 | 111.4 | D835 L836 K842 S843 | D835-R839 WeakPolarHBondContact O-CG 3.3Å; D835-R839 PolarHBondContact O-N 3.11Å; D835-R839 IonicContact OD1-NE 3.36Å; D835-R839 PolarHBondContact OD1-NE 3.15Å; D835-R839 IonicContact OD2-CZ 2.68Å; D835-R839 IonicContact OD2-NE 3.42Å; D835-R839 PolarHBondContact OD2-NE 3.46Å; D835-R839 IonicContact OD2-NH2 3.99Å; D835-R839 PolarHBondContact OD2-NH2 3Å; L836-R839 PolarHBondContact O-N 3.38Å; R839-K842 CarbonylContact O-C 3.57Å; R839-K842 PolarHBondContact O-N 3.15Å; R839-S843 PolarHBondContact O-N 2.66Å; R839-S843 PolarHBondContact O-OG 2.9Å |
| 840 | I | 78.6 | Confident | 79.2 | Confident | 100 Ų | 100 | 102.4 Ų | 102.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.9 | -68.4 | 163 | 0 | 0 | 0 | 111 | L836 K842 S843 A844 | L836-I840 WeakPolarHBondContact O-CB 3.33Å; L836-I840 WeakPolarHBondContact O-CD1 3.2Å; L836-I840 VanDerWaalsContact O-CG1 3.25Å; L836-I840 WeakPolarHBondContact O-CG1 3.47Å; L836-I840 PolarHBondContact O-N 3.07Å; I840-K842 PolarHBondContact O-N 3.01Å; I840-S843 WeakPolarHBondContact CA-OG 3.36Å; I840-S843 PolarHBondContact O-N 3.38Å; I840-S843 PolarHBondContact O-OG 2.9Å; I840-A844 VanDerWaalsContact O-CB 3.3Å; I840-A844 WeakPolarHBondContact O-CB 3.45Å; I840-A844 PolarHBondContact O-N 3.11Å |
| 841 | K | 79.3 | Confident | 78.3 | Confident | 150 Ų | 150 | 98.1 Ų | 98.1 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 172.4 | -76.9 | -176.1 | 176.3 | -175.1 | 0 | 112.4 | N837 C838 N845 | N837-K841 WeakPolarHBondContact O-CB 3.24Å; N837-K841 WeakPolarHBondContact O-CG 3.33Å; N837-K841 PolarHBondContact O-N 3.38Å; C838-K841 PolarHBondContact O-N 3.08Å; K841-N845 VanDerWaalsContact O-CB 3.31Å; K841-N845 WeakPolarHBondContact O-CB 3.15Å; K841-N845 PolarHBondContact O-N 2.96Å; K841-N845 PolarHBondContact O-OD1 3.04Å |
| 842 | K | 77.5 | Confident | 77 | Confident | 139 Ų | 139 | 95.8 Ų | 95.8 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.8 | -37.1 | 175.6 | -77.3 | 173.7 | 179.1 | 175 | 0 | 112.8 | C838 R839 I840 R846 | C838-K842 WeakPolarHBondContact O-CB 3.48Å; C838-K842 WeakPolarHBondContact O-CG 3.33Å; C838-K842 PolarHBondContact O-N 3.41Å; R839-K842 CarbonylContact O-C 3.57Å; R839-K842 PolarHBondContact O-N 3.15Å; I840-K842 PolarHBondContact O-N 3.01Å; K842-R846 WeakPolarHBondContact O-CG 3.4Å; K842-R846 PolarHBondContact O-N 3.35Å; K842-R846 VanDerWaalsContact O-N 3.11Å |
| 843 | S | 75.6 | Confident | 75.6 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 47% | 0.469 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.4 | -43.7 | 174.8 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | R839 I840 N845 R846 V847 | R839-S843 PolarHBondContact O-N 2.66Å; R839-S843 PolarHBondContact O-OG 2.9Å; I840-S843 WeakPolarHBondContact CA-OG 3.36Å; I840-S843 PolarHBondContact O-N 3.38Å; I840-S843 PolarHBondContact O-OG 2.9Å; S843-N845 VanDerWaalsContact C-N 3.33Å; S843-N845 PolarHBondContact O-N 3.05Å; S843-R846 WeakPolarHBondContact O-CB 3.45Å; S843-R846 PolarHBondContact O-N 2.79Å; S843-R846 VanDerWaalsContact O-N 3.07Å; S843-V847 WeakPolarHBondContact O-CG2 3.17Å; S843-V847 PolarHBondContact O-N 3.25Å |
| 844 | A | 73.6 | Confident | 74.2 | Confident | 42 Ų | 42 | 93.9 Ų | 93.9 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I840 R846 V847 N848 | I840-A844 VanDerWaalsContact O-CB 3.3Å; I840-A844 WeakPolarHBondContact O-CB 3.45Å; I840-A844 PolarHBondContact O-N 3.11Å; A844-R846 VanDerWaalsContact C-N 3.32Å; A844-R846 PolarHBondContact O-N 3.46Å; A844-V847 PolarHBondContact O-N 2.96Å; A844-N848 WeakPolarHBondContact O-CB 3.27Å; A844-N848 PolarHBondContact O-N 3.42Å; A844-N848 PolarHBondContact O-OD1 2.85Å |
| 845 | N | 75 | Confident | 73 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 57% | 0.572 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -32.5 | 175.6 | -74.3 | 3.2 | 0 | 0 | 0 | 112.9 | K841 S843 A849 | K841-N845 VanDerWaalsContact O-CB 3.31Å; K841-N845 WeakPolarHBondContact O-CB 3.15Å; K841-N845 PolarHBondContact O-N 2.96Å; K841-N845 PolarHBondContact O-OD1 3.04Å; S843-N845 VanDerWaalsContact C-N 3.33Å; S843-N845 PolarHBondContact O-N 3.05Å; N845-A849 VanDerWaalsContact O-CB 3.31Å; N845-A849 WeakPolarHBondContact O-CB 3.35Å; N845-A849 PolarHBondContact O-N 3.11Å |
| 846 | R | 72.3 | Confident | 71.2 | Confident | 192 Ų | 192 | 98.1 Ų | 98.1 | 73% | 0.725 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 171 | -78.1 | -174.8 | 179.4 | -164.8 | 0.5 | 112.2 | K842 S843 A844 N848 A849 L850 | K842-R846 WeakPolarHBondContact O-CG 3.4Å; K842-R846 PolarHBondContact O-N 3.35Å; K842-R846 VanDerWaalsContact O-N 3.11Å; S843-R846 WeakPolarHBondContact O-CB 3.45Å; S843-R846 PolarHBondContact O-N 2.79Å; S843-R846 VanDerWaalsContact O-N 3.07Å; A844-R846 VanDerWaalsContact C-N 3.32Å; A844-R846 PolarHBondContact O-N 3.46Å; R846-N848 VanDerWaalsContact C-N 3.33Å; R846-N848 PolarHBondContact O-N 3.46Å; R846-A849 PolarHBondContact O-N 3.49Å; R846-L850 WeakPolarHBondContact O-CB 3.49Å; R846-L850 VanDerWaalsContact O-CG 3.31Å; R846-L850 WeakPolarHBondContact O-CG 3.36Å; R846-L850 PolarHBondContact O-N 3.39Å |
| 847 | V | 73 | Confident | 69.8 | Low | 86 Ų | 86 | 99.9 Ų | 99.9 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | S843 A844 L850 T851 | S843-V847 WeakPolarHBondContact O-CG2 3.17Å; S843-V847 PolarHBondContact O-N 3.25Å; A844-V847 PolarHBondContact O-N 2.96Å; V847-L850 PolarHBondContact O-N 3.13Å; V847-T851 PolarHBondContact O-N 2.91Å; V847-T851 PolarHBondContact O-OG1 3.43Å |
| 848 | N | 70.9 | Confident | 68.2 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 52% | 0.519 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 175.2 | -66.7 | -11.2 | 0 | 0 | 0 | 112.3 | A844 R846 T851 A852 | A844-N848 WeakPolarHBondContact O-CB 3.27Å; A844-N848 PolarHBondContact O-N 3.42Å; A844-N848 PolarHBondContact O-OD1 2.85Å; R846-N848 VanDerWaalsContact C-N 3.33Å; R846-N848 PolarHBondContact O-N 3.46Å; N848-T851 WeakPolarHBondContact CA-OG1 3.48Å; N848-T851 PolarHBondContact O-OG1 2.89Å; N848-A852 WeakPolarHBondContact O-CB 3.48Å; N848-A852 PolarHBondContact O-N 2.86Å |
| 849 | A | 69.1 | Low | 66.2 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.7 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N845 R846 A852 A853 | N845-A849 VanDerWaalsContact O-CB 3.31Å; N845-A849 WeakPolarHBondContact O-CB 3.35Å; N845-A849 PolarHBondContact O-N 3.11Å; R846-A849 PolarHBondContact O-N 3.49Å; A849-A852 PolarHBondContact O-N 2.92Å; A849-A853 PolarHBondContact O-N 2.79Å |
| 850 | L | 71.4 | Confident | 63.9 | Low | 113 Ų | 113 | 104.2 Ų | 104.2 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -49.7 | 174.1 | -74.3 | 165 | 0 | 0 | 0 | 111 | R846 V847 A852 A853 E854 | R846-L850 WeakPolarHBondContact O-CB 3.49Å; R846-L850 VanDerWaalsContact O-CG 3.31Å; R846-L850 WeakPolarHBondContact O-CG 3.36Å; R846-L850 PolarHBondContact O-N 3.39Å; V847-L850 PolarHBondContact O-N 3.13Å; L850-A852 VanDerWaalsContact C-N 3.25Å; L850-A852 PolarHBondContact O-N 2.86Å; L850-A853 WeakPolarHBondContact O-CB 3.22Å; L850-A853 PolarHBondContact O-N 3.05Å; L850-E854 WeakPolarHBondContact O-CG 2.82Å; L850-E854 PolarHBondContact O-N 2.96Å |
| 851 | T | 68.7 | Low | 61.7 | Low | 56 Ų | 56 | 105.3 Ų | 105.3 | 34% | 0.344 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.8 | -25.1 | 176.5 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | V847 N848 E854 K855 | V847-T851 PolarHBondContact O-N 2.91Å; V847-T851 PolarHBondContact O-OG1 3.43Å; N848-T851 WeakPolarHBondContact CA-OG1 3.48Å; N848-T851 PolarHBondContact O-OG1 2.89Å; T851-E854 WeakPolarHBondContact CA-OE2 3.46Å; T851-K855 WeakPolarHBondContact O-CB 3.23Å; T851-K855 VanDerWaalsContact O-CG 3.28Å; T851-K855 WeakPolarHBondContact O-CG 3.19Å; T851-K855 PolarHBondContact O-N 2.92Å; T851-K855 VanDerWaalsContact O-N 3.16Å |
| 852 | A | 60.4 | Low | 59.3 | Low | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.1 | -40 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N848 A849 L850 K855 A856 | N848-A852 WeakPolarHBondContact O-CB 3.48Å; N848-A852 PolarHBondContact O-N 2.86Å; A849-A852 PolarHBondContact O-N 2.92Å; L850-A852 VanDerWaalsContact C-N 3.25Å; L850-A852 PolarHBondContact O-N 2.86Å; A852-K855 PolarHBondContact O-N 3.17Å; A852-A856 PolarHBondContact O-N 2.89Å; A852-A856 VanDerWaalsContact O-N 3.14Å |
| 853 | A | 56.6 | Low | 57 | Low | 53 Ų | 53 | 106.3 Ų | 106.3 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.5 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A849 L850 A856 T857 | A849-A853 PolarHBondContact O-N 2.79Å; L850-A853 WeakPolarHBondContact O-CB 3.22Å; L850-A853 PolarHBondContact O-N 3.05Å; A853-A856 PolarHBondContact O-N 3.23Å; A853-T857 PolarHBondContact O-N 2.96Å; A853-T857 PolarHBondContact O-OG1 3.49Å |
| 854 | E | 57.6 | Low | 54.6 | Low | 116 Ų | 116 | 107.8 Ų | 107.8 | 54% | 0.542 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.9 | -45.8 | 172.3 | -71.3 | 174 | 141 | 0 | 0 | 110.9 | L850 T851 A856 T857 V858 | L850-E854 WeakPolarHBondContact O-CG 2.82Å; L850-E854 PolarHBondContact O-N 2.96Å; T851-E854 WeakPolarHBondContact CA-OE2 3.46Å; E854-A856 PolarHBondContact O-N 3.31Å; E854-T857 PolarHBondContact O-N 2.9Å; E854-V858 PolarHBondContact O-N 3.37Å |
| 855 | K | 56.8 | Low | 52.6 | Low | 173 Ų | 173 | 112.9 Ų | 112.9 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.1 | -24.2 | 175.2 | -77.4 | 176.5 | 178.3 | -178.8 | 0 | 114.3 | T851 A852 | T851-K855 WeakPolarHBondContact O-CB 3.23Å; T851-K855 VanDerWaalsContact O-CG 3.28Å; T851-K855 WeakPolarHBondContact O-CG 3.19Å; T851-K855 PolarHBondContact O-N 2.92Å; T851-K855 VanDerWaalsContact O-N 3.16Å; A852-K855 PolarHBondContact O-N 3.17Å |
| 856 | A | 50.3 | Low | 50.4 | Low | 84 Ų | 84 | 115 Ų | 115 | 69% | 0.694 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.3 | -17.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A852 A853 E854 | A852-A856 PolarHBondContact O-N 2.89Å; A852-A856 VanDerWaalsContact O-N 3.14Å; A853-A856 PolarHBondContact O-N 3.23Å; E854-A856 PolarHBondContact O-N 3.31Å |
| 857 | T | 52.8 | Low | 48.6 | Very low | 111 Ų | 111 | 113.3 Ų | 113.3 | 68% | 0.681 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -106.9 | -37.8 | -172.2 | -49.3 | 0 | 0 | 0 | 0 | 112.6 | A853 E854 N859 | A853-T857 PolarHBondContact O-N 2.96Å; A853-T857 PolarHBondContact O-OG1 3.49Å; E854-T857 PolarHBondContact O-N 2.9Å; T857-N859 PolarHBondContact O-N 3.47Å; T857-N859 VanDerWaalsContact O-N 3.14Å |
| 858 | V | 47.7 | Very low | 46.5 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | trans | -90.8 | 44.5 | -177.7 | -163.6 | 0 | 0 | 0 | 0 | 111.1 | E854 N860 | E854-V858 PolarHBondContact O-N 3.37Å; V858-N860 PolarHBondContact O-N 3.12Å | ||
| 859 | N | 41.9 | Very low | 44.5 | Very low | 154 Ų | 154 | 118.8 Ų | 118.8 | 82% | 0.824 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93.2 | 28.2 | 167.6 | -158.9 | 26.4 | 0 | 0 | 0 | 111.3 | T857 | T857-N859 PolarHBondContact O-N 3.47Å; T857-N859 VanDerWaalsContact O-N 3.14Å |
| 860 | N | 32.5 | Very low | 42.5 | Very low | 127 Ų | 127 | 125 Ų | 125 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -153.8 | 129.8 | 176.2 | -155.8 | 1.7 | 0 | 0 | 0 | 108.9 | V858 | V858-N860 PolarHBondContact O-N 3.12Š|
| 861 | N | 31.9 | Very low | 40.5 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | trans | 61.7 | 110.3 | -178.7 | -60.3 | -34.5 | 0 | 0 | 0 | 118.5 | ||||
| 862 | N | 28.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | 0.7 | 144.3 | 134 | -46.2 | -23.7 | 0 | 0 | 0 | 116.8 | ||||
| 863 | N | 29.3 | Very low | 36.6 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | cis | -156.4 | 162.1 | 32.1 | -159.2 | 4.1 | 0 | 0 | 0 | 112.5 | ||||
| 864 | S | 26.3 | Very low | 35.2 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | -74.4 | 136.9 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 865 | N | 30.9 | Very low | 34.4 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 174 | 117.2 | 137.9 | -91.8 | -21.9 | 0 | 0 | 0 | 112.2 | ||||
| 866 | N | 29.2 | Very low | 33.2 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | 176.6 | 124.8 | 122.2 | -94.2 | -29.8 | 0 | 0 | 0 | 114.2 | |||||
| 867 | N | 34.5 | Very low | 31.9 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | 9.5 | 110 | 152 | -60.3 | -10.5 | 0 | 0 | 0 | 119.4 | ||||
| 868 | T | 29 | Very low | 30.6 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 156.5 | 155 | 32.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 869 | N | 27.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -120.6 | 117.4 | 170.2 | -174.8 | 11.6 | 0 | 0 | 0 | 109.3 | ||||
| 870 | Q | 28.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 126.3 Ų | 126.3 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -147.8 | 86.2 | 170.7 | -73.6 | -162.3 | 4.5 | 0 | 0 | 111.5 | ||||
| 871 | G | 28 | Very low | 28.5 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | -82.6 | 159.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 872 | G | 25.1 | Very low | 28.5 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | 74.6 | 87.9 | 19.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 873 | N | 22.1 | Very low | 28.3 | Very low | 153 Ų | 153 | 124.7 Ų | 124.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | 70.9 | 152.4 | 29.6 | -156.5 | 23.8 | 0 | 0 | 0 | 113.9 | ||||
| 874 | T | 26.8 | Very low | 28 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | 78.1 | 163.8 | -171.6 | 85.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 875 | P | 41.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | -136 | -166.6 | -115.2 | 33.8 | -9.2 | 0 | 0 | 0 | 113.8 | |||||
| 876 | N | 30.9 | Very low | 27.7 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -155.4 | 167.1 | 131.9 | -136.1 | -18.1 | 0 | 0 | 0 | 114.1 | ||||
| 877 | A | 23.9 | Very low | 27.6 | Very low | 83 Ų | 83 | 132 Ų | 132 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | -135.5 | -171.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 878 | A | 24.8 | Very low | 27.2 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | 71.7 | 145.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 879 | G | 29.5 | Very low | 26.9 | Very low | 84 Ų | 84 | 132 Ų | 132 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | 158.7 | 68.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 880 | G | 19.6 | Very low | 26.7 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -119.6 | 143.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 881 | I | 30.2 | Very low | 26.8 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -139.8 | 142.4 | -177.2 | -61.3 | -176.2 | 0 | 0 | 0 | 109.6 | ||||
| 882 | P | 32.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -117.3 | -175.7 | -169.4 | 44 | -34.4 | 0 | 0 | 0 | 115.2 | ||||
| 883 | G | 24.6 | Very low | 26.6 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 108.1 | 124.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 884 | Q | 23 | Very low | 26.8 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | cis | 89.2 | 94.1 | 21.8 | -160.7 | -172.8 | 19.6 | 0 | 0 | 116.1 | ||||
| 885 | Q | 28 | Very low | 26.9 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -159.7 | 124.7 | 152 | -99.5 | 158.4 | 5 | 0 | 0 | 105.2 | ||||
| 886 | Q | 22.6 | Very low | 26.2 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | 76.9 | 157.3 | 61.6 | -80 | -166.7 | -29.6 | 0 | 0 | 114.5 | |||||
| 887 | I | 27.6 | Very low | 26.3 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | 83.2 | 116.2 | -166.7 | -54.5 | 168.1 | 0 | 0 | 0 | 112.4 | ||||
| 888 | S | 25.1 | Very low | 26.6 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | cis | 171.7 | 96.8 | -29.9 | 45.4 | 0 | 0 | 0 | 0 | 105 | S890 | S888-S890 PolarHBondContact O-N 2.64Š| ||
| 889 | E | 21.7 | Very low | 26.7 | Very low | 200 Ų | 200 | 145.2 Ų | 145.2 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -43.6 | 121.2 | 160.8 | 169.5 | -178.7 | -128.1 | 0 | 0 | 112.4 | ||||
| 890 | S | 24.7 | Very low | 26.8 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -173.2 | 95.6 | 157.6 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | S888 | S888-S890 PolarHBondContact O-N 2.64Š| ||
| 891 | L | 30.6 | Very low | 27.5 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -149.1 | 96.1 | 147.5 | -164.6 | 64.4 | 0 | 0 | 0 | 108.9 | ||||
| 892 | L | 22.7 | Very low | 27.7 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -100.9 | 167.3 | 163.9 | -76.4 | 166 | 0 | 0 | 0 | 107.9 | ||||
| 893 | M | 26.7 | Very low | 27.8 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 77% | 0.768 | 80% | 0.801 | S | S | * | * | trans | 74.1 | 135.7 | 169.4 | -44.8 | -165.8 | 97.8 | 0 | 0 | 114.6 | ||||
| 894 | D | 25.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | cis | -148.4 | 167.6 | -17.8 | -86.8 | -33.5 | 0 | 0 | 0 | 106.4 | ||||
| 895 | D | 30.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | 168 | 135.3 | 127.4 | -86 | -21.8 | 0 | 0 | 0 | 109.8 | |||||
| 896 | D | 26.4 | Very low | 31.3 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | -77.5 | 144.4 | 176 | -55.5 | -76.3 | 0 | 0 | 0 | 111.3 | ||||
| 897 | D | 32.6 | Very low | 33.6 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -146.5 | 130.8 | 154.8 | -126.2 | -23.8 | 0 | 0 | 0 | 108.1 | ||||
| 898 | D | 30.2 | Very low | 35.5 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -70.9 | 158.3 | -158.5 | -85.4 | -61.6 | 0 | 0 | 0 | 116.1 | E900 | D898-E900 PolarHBondContact O-N 2.84Š| ||
| 899 | D | 28.6 | Very low | 37.1 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -52.3 | 115.4 | 171.4 | -83.2 | -62.8 | 0 | 0 | 0 | 113.8 | ||||
| 900 | E | 30 | Very low | 39.2 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -144 | 94.8 | 144.3 | -106.5 | -59 | 172.1 | 0 | 0 | 110.5 | D898 I902 | D898-E900 PolarHBondContact O-N 2.84Å; E900-I902 VanDerWaalsContact C-N 3.29Å; E900-I902 PolarHBondContact O-N 2.78Å | ||
| 901 | P | 35.1 | Very low | 41.6 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | trans | -76.4 | 78.4 | -174.9 | 31.2 | -35.4 | 0 | 0 | 0 | 111.5 | Q903 | P901-Q903 PolarHBondContact O-N 2.91Š| ||
| 902 | I | 34.4 | Very low | 43.8 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | trans | -33 | 111.2 | -176 | -51 | -179.7 | 0 | 0 | 0 | 111.1 | E900 V904 | E900-I902 VanDerWaalsContact C-N 3.29Å; E900-I902 PolarHBondContact O-N 2.78Å; I902-V904 HydrophobicContact CG2-CG2 3.84Å; I902-V904 PolarHBondContact O-N 3.3Å | ||
| 903 | Q | 33.9 | Very low | 46.3 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | trans | -79.6 | 53.7 | -163.2 | -155.1 | 178.8 | 36 | 0 | 0 | 113.8 | P901 | P901-Q903 PolarHBondContact O-N 2.91Š| ||
| 904 | V | 39.2 | Very low | 48.8 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | trans | -69.6 | 135 | 176.2 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | I902 R910 | I902-V904 HydrophobicContact CG2-CG2 3.84Å; I902-V904 PolarHBondContact O-N 3.3Å; V904-R910 PolarHBondContact O-NE 3.48Å; V904-R910 PolarHBondContact O-NH2 3.21Å | ||
| 905 | G | 53.6 | Low | 51.5 | Low | 34 Ų | 34 | 122 Ų | 122 | 35% | 0.351 | 65% | 0.646 | S | S | . | * | S | Bend | trans | 88.4 | 128.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 906 | T | 57.4 | Low | 54 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 53% | 0.534 | 63% | 0.631 | S | S | . | * | trans | -61.6 | 155.4 | 175.4 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | A908 Q909 R910 | T906-A908 VanDerWaalsContact C-N 3.28Å; T906-A908 PolarHBondContact O-N 2.93Å; T906-Q909 WeakPolarHBondContact O-CA 2.82Å; T906-Q909 WeakPolarHBondContact O-CB 3.36Å; T906-Q909 PolarHBondContact O-N 3.07Å; T906-Q909 WeakPolarHBondContact OG1-CG 3.45Å; T906-Q909 PolarHBondContact OG1-OE1 2.95Å; T906-R910 PolarHBondContact O-N 2.86Å; T906-R910 VanDerWaalsContact O-N 3.11Å | ||
| 907 | L | 69.1 | Low | 56.5 | Low | 129 Ų | 129 | 117.2 Ų | 117.2 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -51.2 | -47.7 | 179.3 | -177.2 | 63.3 | 0 | 0 | 0 | 111.9 | Q909 R910 E911 | L907-Q909 VanDerWaalsContact C-N 3.27Å; L907-Q909 PolarHBondContact O-N 3.23Å; L907-R910 PolarHBondContact O-N 2.88Å; L907-E911 WeakPolarHBondContact O-CG 3.39Å; L907-E911 PolarHBondContact O-N 3.21Å |
| 908 | A | 67.4 | Low | 59 | Low | 64 Ų | 64 | 113.1 Ų | 113.1 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.2 | -25.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T906 K912 | T906-A908 VanDerWaalsContact C-N 3.28Å; T906-A908 PolarHBondContact O-N 2.93Å; A908-K912 WeakPolarHBondContact O-CB 3.38Å; A908-K912 PolarHBondContact O-N 2.92Å; A908-K912 VanDerWaalsContact O-N 3.14Å |
| 909 | Q | 59.9 | Low | 61.3 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.1 | -41.5 | 170 | -77.3 | 170.7 | -66.3 | 0 | 0 | 111.5 | T906 L907 K912 I913 | T906-Q909 WeakPolarHBondContact O-CA 2.82Å; T906-Q909 WeakPolarHBondContact O-CB 3.36Å; T906-Q909 PolarHBondContact O-N 3.07Å; T906-Q909 WeakPolarHBondContact OG1-CG 3.45Å; T906-Q909 PolarHBondContact OG1-OE1 2.95Å; L907-Q909 VanDerWaalsContact C-N 3.27Å; L907-Q909 PolarHBondContact O-N 3.23Å; Q909-K912 PolarHBondContact O-N 3.25Å; Q909-I913 WeakPolarHBondContact O-CB 3.35Å; Q909-I913 VanDerWaalsContact O-CG1 3.26Å; Q909-I913 WeakPolarHBondContact O-CG1 3.33Å; Q909-I913 PolarHBondContact O-N 3.08Å |
| 910 | R | 66.2 | Low | 63.9 | Low | 110 Ų | 110 | 106.5 Ų | 106.5 | 42% | 0.415 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -45.5 | 177.7 | -64.6 | -177.2 | 177.8 | -155.2 | -7.9 | 111.2 | V904 T906 L907 K912 I913 A914 | V904-R910 PolarHBondContact O-NE 3.48Å; V904-R910 PolarHBondContact O-NH2 3.21Å; T906-R910 PolarHBondContact O-N 2.86Å; T906-R910 VanDerWaalsContact O-N 3.11Å; L907-R910 PolarHBondContact O-N 2.88Å; R910-K912 VanDerWaalsContact C-N 3.34Å; R910-K912 PolarHBondContact O-N 3.5Å; R910-I913 PolarHBondContact O-N 2.92Å; R910-A914 PolarHBondContact O-N 2.8Å |
| 911 | E | 73.8 | Confident | 66.5 | Low | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59 | -42.8 | 173.4 | -68.5 | 174.1 | 153 | 0 | 0 | 112.1 | L907 F915 | L907-E911 WeakPolarHBondContact O-CG 3.39Å; L907-E911 PolarHBondContact O-N 3.21Å; E911-F915 VanDerWaalsContact O-CB 3.32Å; E911-F915 WeakPolarHBondContact O-CB 3.39Å; E911-F915 PolarHBondContact O-N 3.38Å |
| 912 | K | 77.3 | Confident | 68.7 | Low | 143 Ų | 143 | 102.8 Ų | 102.8 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69 | -34.8 | 178.6 | -172.1 | 170.6 | -176.2 | 175.4 | 0 | 113.1 | A908 Q909 R910 L916 | A908-K912 WeakPolarHBondContact O-CB 3.38Å; A908-K912 PolarHBondContact O-N 2.92Å; A908-K912 VanDerWaalsContact O-N 3.14Å; Q909-K912 PolarHBondContact O-N 3.25Å; R910-K912 VanDerWaalsContact C-N 3.34Å; R910-K912 PolarHBondContact O-N 3.5Å; K912-L916 HydrophobicContact CG-CD1 4.34Å; K912-L916 VanDerWaalsContact O-CG 3.26Å; K912-L916 WeakPolarHBondContact O-CG 3.29Å; K912-L916 PolarHBondContact O-N 2.85Å; K912-L916 VanDerWaalsContact O-N 3.12Å |
| 913 | I | 74.4 | Confident | 71 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -53.6 | 173.8 | -72.2 | 163.8 | 0 | 0 | 0 | 109.6 | Q909 R910 F915 L916 E917 | Q909-I913 WeakPolarHBondContact O-CB 3.35Å; Q909-I913 VanDerWaalsContact O-CG1 3.26Å; Q909-I913 WeakPolarHBondContact O-CG1 3.33Å; Q909-I913 PolarHBondContact O-N 3.08Å; R910-I913 PolarHBondContact O-N 2.92Å; I913-F915 VanDerWaalsContact C-N 3.25Å; I913-F915 PolarHBondContact O-N 2.89Å; I913-L916 WeakPolarHBondContact O-CA 3.39Å; I913-L916 PolarHBondContact O-N 3.3Å; I913-E917 HydrophobicContact CG2-CG 4.26Å; I913-E917 VanDerWaalsContact CG2-OE1 3.25Å; I913-E917 WeakPolarHBondContact CG2-OE1 3.25Å; I913-E917 WeakPolarHBondContact O-CG 3.31Å; I913-E917 PolarHBondContact O-N 3.15Å |
| 914 | A | 80.2 | Confident | 73.2 | Confident | 51 Ų | 51 | 96.7 Ų | 96.7 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R910 N918 | R910-A914 PolarHBondContact O-N 2.8Å; A914-N918 WeakPolarHBondContact O-CB 3.5Å; A914-N918 PolarHBondContact O-N 3.37Å; A914-N918 VanDerWaalsContact O-N 3.08Å |
| 915 | F | 82.1 | Confident | 75.3 | Confident | 137 Ų | 137 | 97.1 Ų | 97.1 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -39.8 | 172.8 | 178.6 | -98.7 | 0 | 0 | 0 | 112.8 | E911 I913 N919 | E911-F915 VanDerWaalsContact O-CB 3.32Å; E911-F915 WeakPolarHBondContact O-CB 3.39Å; E911-F915 PolarHBondContact O-N 3.38Å; I913-F915 VanDerWaalsContact C-N 3.25Å; I913-F915 PolarHBondContact O-N 2.89Å; F915-N919 WeakPolarHBondContact CE1-ND2 3.44Å; F915-N919 WeakPolarHBondContact CZ-ND2 3.39Å; F915-N919 PolarHBondContact O-N 3.28Å; F915-N919 PolarHBondContact O-ND2 3.39Å |
| 916 | L | 81.7 | Confident | 76.5 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -42.7 | 177.6 | -72.6 | 168.3 | 0 | 0 | 0 | 111.7 | K912 I913 N919 L920 | K912-L916 HydrophobicContact CG-CD1 4.34Å; K912-L916 VanDerWaalsContact O-CG 3.26Å; K912-L916 WeakPolarHBondContact O-CG 3.29Å; K912-L916 PolarHBondContact O-N 2.85Å; K912-L916 VanDerWaalsContact O-N 3.12Å; I913-L916 WeakPolarHBondContact O-CA 3.39Å; I913-L916 PolarHBondContact O-N 3.3Å; L916-N919 PolarHBondContact O-N 3.16Å; L916-L920 WeakPolarHBondContact O-CB 3.36Å; L916-L920 PolarHBondContact O-N 3.24Å |
| 917 | E | 79.6 | Confident | 77.4 | Confident | 120 Ų | 120 | 101.3 Ų | 101.3 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 176.1 | -69.3 | 167.2 | 163.3 | 0 | 0 | 111.8 | I913 N919 L920 D921 | I913-E917 HydrophobicContact CG2-CG 4.26Å; I913-E917 VanDerWaalsContact CG2-OE1 3.25Å; I913-E917 WeakPolarHBondContact CG2-OE1 3.25Å; I913-E917 WeakPolarHBondContact O-CG 3.31Å; I913-E917 PolarHBondContact O-N 3.15Å; E917-N919 VanDerWaalsContact C-N 3.32Å; E917-N919 PolarHBondContact O-N 3.44Å; E917-L920 WeakPolarHBondContact O-CB 3.39Å; E917-L920 PolarHBondContact O-N 3.43Å; E917-L920 VanDerWaalsContact O-N 3.15Å; E917-D921 PolarHBondContact O-N 3.47Å |
| 918 | N | 85.1 | Confident | 78 | Confident | 84 Ų | 84 | 102.2 Ų | 102.2 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 177 | -171.7 | -41.1 | 0 | 0 | 0 | 111.9 | A914 K922 | A914-N918 WeakPolarHBondContact O-CB 3.5Å; A914-N918 PolarHBondContact O-N 3.37Å; A914-N918 VanDerWaalsContact O-N 3.08Å; N918-K922 WeakPolarHBondContact O-CD 3.28Å; N918-K922 VanDerWaalsContact O-CG 3.3Å; N918-K922 WeakPolarHBondContact O-CG 3.47Å; N918-K922 PolarHBondContact O-N 3.07Å; N918-K922 VanDerWaalsContact O-N 3.16Å; N918-K922 WeakPolarHBondContact OD1-CE 3.45Å; N918-K922 PolarHBondContact OD1-NZ 3.46Å |
| 919 | N | 79.3 | Confident | 78.5 | Confident | 62 Ų | 62 | 104.2 Ų | 104.2 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -33.3 | 174 | -74.1 | -43.8 | 0 | 0 | 0 | 113 | F915 L916 E917 L923 | F915-N919 WeakPolarHBondContact CE1-ND2 3.44Å; F915-N919 WeakPolarHBondContact CZ-ND2 3.39Å; F915-N919 PolarHBondContact O-N 3.28Å; F915-N919 PolarHBondContact O-ND2 3.39Å; L916-N919 PolarHBondContact O-N 3.16Å; E917-N919 VanDerWaalsContact C-N 3.32Å; E917-N919 PolarHBondContact O-N 3.44Å; N919-L923 WeakPolarHBondContact O-CB 3.45Å; N919-L923 PolarHBondContact O-N 2.97Å |
| 920 | L | 81.8 | Confident | 79.4 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 175.6 | -165.7 | 77.6 | 0 | 0 | 0 | 111.2 | L916 E917 L923 T924 | L916-L920 WeakPolarHBondContact O-CB 3.36Å; L916-L920 PolarHBondContact O-N 3.24Å; E917-L920 WeakPolarHBondContact O-CB 3.39Å; E917-L920 PolarHBondContact O-N 3.43Å; E917-L920 VanDerWaalsContact O-N 3.15Å; L920-L923 PolarHBondContact O-N 2.87Å; L920-T924 WeakPolarHBondContact O-CB 3.34Å; L920-T924 PolarHBondContact O-N 3.36Å; L920-T924 PolarHBondContact O-OG1 3.48Å |
| 921 | D | 84.7 | Confident | 80.1 | Confident | 74 Ų | 74 | 102.4 Ų | 102.4 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176 | 171.5 | 58.5 | 0 | 0 | 0 | 112.2 | E917 T924 K925 | E917-D921 PolarHBondContact O-N 3.47Å; D921-T924 PolarHBondContact O-N 3.35Å; D921-K925 VanDerWaalsContact CG-NZ 3.32Å; D921-K925 WeakPolarHBondContact O-CG 3.47Å; D921-K925 PolarHBondContact O-N 2.89Å; D921-K925 WeakPolarHBondContact OD1-CE 3.48Å; D921-K925 IonicContact OD1-NZ 3.48Å; D921-K925 PolarHBondContact OD1-NZ 3.38Å; D921-K925 WeakPolarHBondContact OD2-CE 3.41Å; D921-K925 IonicContact OD2-NZ 2.82Å; D921-K925 PolarHBondContact OD2-NZ 3.27Å |
| 922 | K | 82.3 | Confident | 80.5 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 171.1 | -77 | 165.7 | 176.3 | 154.5 | 0 | 112.2 | N918 T924 K925 V926 | N918-K922 WeakPolarHBondContact O-CD 3.28Å; N918-K922 VanDerWaalsContact O-CG 3.3Å; N918-K922 WeakPolarHBondContact O-CG 3.47Å; N918-K922 PolarHBondContact O-N 3.07Å; N918-K922 VanDerWaalsContact O-N 3.16Å; N918-K922 WeakPolarHBondContact OD1-CE 3.45Å; N918-K922 PolarHBondContact OD1-NZ 3.46Å; K922-T924 VanDerWaalsContact C-N 3.33Å; K922-T924 PolarHBondContact O-N 3.46Å; K922-K925 PolarHBondContact O-N 2.89Å; K922-V926 WeakPolarHBondContact O-CG2 3.36Å; K922-V926 PolarHBondContact O-N 3.02Å |
| 923 | L | 82.1 | Confident | 80.6 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | -179.8 | -169.9 | 66.8 | 0 | 0 | 0 | 111.4 | N919 L920 V926 H927 | N919-L923 WeakPolarHBondContact O-CB 3.45Å; N919-L923 PolarHBondContact O-N 2.97Å; L920-L923 PolarHBondContact O-N 2.87Å; L923-V926 PolarHBondContact O-N 2.92Å; L923-H927 WeakPolarHBondContact O-CB 3.41Å; L923-H927 PolarHBondContact O-N 3.18Å |
| 924 | T | 79.7 | Confident | 80.4 | Confident | 63 Ų | 63 | 97 Ų | 97 | 39% | 0.387 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 174.3 | -68.5 | 0 | 0 | 0 | 0 | 112 | L920 D921 K922 H927 K928 | L920-T924 WeakPolarHBondContact O-CB 3.34Å; L920-T924 PolarHBondContact O-N 3.36Å; L920-T924 PolarHBondContact O-OG1 3.48Å; D921-T924 PolarHBondContact O-N 3.35Å; K922-T924 VanDerWaalsContact C-N 3.33Å; K922-T924 PolarHBondContact O-N 3.46Å; T924-H927 PolarHBondContact O-N 2.88Å; T924-K928 HydrophobicContact CG2-CD 4.35Å; T924-K928 WeakPolarHBondContact O-CB 3.23Å; T924-K928 WeakPolarHBondContact O-CG 2.99Å; T924-K928 PolarHBondContact O-N 2.63Å |
| 925 | K | 83.1 | Confident | 80.2 | Confident | 122 Ų | 122 | 97.1 Ų | 97.1 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 174 | -75.5 | 164 | 177.5 | 166.5 | 0 | 111.8 | D921 K922 H927 K928 Q929 | D921-K925 VanDerWaalsContact CG-NZ 3.32Å; D921-K925 WeakPolarHBondContact O-CG 3.47Å; D921-K925 PolarHBondContact O-N 2.89Å; D921-K925 WeakPolarHBondContact OD1-CE 3.48Å; D921-K925 IonicContact OD1-NZ 3.48Å; D921-K925 PolarHBondContact OD1-NZ 3.38Å; D921-K925 WeakPolarHBondContact OD2-CE 3.41Å; D921-K925 IonicContact OD2-NZ 2.82Å; D921-K925 PolarHBondContact OD2-NZ 3.27Å; K922-K925 PolarHBondContact O-N 2.89Å; K925-H927 VanDerWaalsContact C-N 3.32Å; K925-H927 PolarHBondContact O-N 3.32Å; K925-K928 PolarHBondContact O-N 3.37Å; K925-Q929 PolarHBondContact O-N 3.28Å |
| 926 | V | 80.6 | Confident | 79.7 | Confident | 83 Ų | 83 | 95.6 Ų | 95.6 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.8 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | K922 L923 Q929 L930 | K922-V926 WeakPolarHBondContact O-CG2 3.36Å; K922-V926 PolarHBondContact O-N 3.02Å; L923-V926 PolarHBondContact O-N 2.92Å; V926-Q929 PolarHBondContact O-N 3.05Å; V926-L930 HydrophobicContact CG1-CD1 3.98Å; V926-L930 WeakPolarHBondContact O-CG 3.31Å; V926-L930 PolarHBondContact O-N 3.32Å |
| 927 | H | 74.7 | Confident | 79.3 | Confident | 126 Ų | 126 | 96 Ų | 96 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 177.4 | -170.6 | 65.2 | 0 | 0 | 0 | 112.7 | L923 T924 K925 V931 | L923-H927 WeakPolarHBondContact O-CB 3.41Å; L923-H927 PolarHBondContact O-N 3.18Å; T924-H927 PolarHBondContact O-N 2.88Å; K925-H927 VanDerWaalsContact C-N 3.32Å; K925-H927 PolarHBondContact O-N 3.32Å; H927-V931 WeakPolarHBondContact O-CG2 3.05Å; H927-V931 PolarHBondContact O-N 2.79Å; H927-V931 VanDerWaalsContact O-N 3.14Å |
| 928 | K | 82 | Confident | 78.7 | Confident | 148 Ų | 148 | 98.4 Ų | 98.4 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 173.8 | -76.7 | 174.8 | 178.6 | -179.8 | 0 | 112 | T924 K925 V931 H932 | T924-K928 HydrophobicContact CG2-CD 4.35Å; T924-K928 WeakPolarHBondContact O-CB 3.23Å; T924-K928 WeakPolarHBondContact O-CG 2.99Å; T924-K928 PolarHBondContact O-N 2.63Å; K925-K928 PolarHBondContact O-N 3.37Å; K928-V931 PolarHBondContact O-N 2.95Å; K928-H932 PolarHBondContact O-N 3.38Å; K928-H932 VanDerWaalsContact O-N 3.16Å |
| 929 | Q | 78.4 | Confident | 78 | Confident | 106 Ų | 106 | 98.2 Ų | 98.2 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -53 | 176.7 | -167.1 | 61.2 | 51.7 | 0 | 0 | 110.9 | K925 V926 V931 H932 D933 | K925-Q929 PolarHBondContact O-N 3.28Å; V926-Q929 PolarHBondContact O-N 3.05Å; Q929-V931 PolarHBondContact O-N 3.13Å; Q929-V931 VanDerWaalsContact O-N 3.08Å; Q929-H932 WeakPolarHBondContact O-CA 3.37Å; Q929-H932 VanDerWaalsContact O-CB 3.29Å; Q929-H932 WeakPolarHBondContact O-CB 3.1Å; Q929-H932 PolarHBondContact O-N 3.31Å; Q929-D933 PolarHBondContact NE2-OD1 2.91Å; Q929-D933 PolarHBondContact O-N 2.99Å |
| 930 | L | 79.2 | Confident | 77.3 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.5 | -32.8 | 178.1 | -77.4 | 167.8 | 0 | 0 | 0 | 113.7 | V926 N934 | V926-L930 HydrophobicContact CG1-CD1 3.98Å; V926-L930 WeakPolarHBondContact O-CG 3.31Å; V926-L930 PolarHBondContact O-N 3.32Å; L930-N934 VanDerWaalsContact O-CB 3.31Å; L930-N934 WeakPolarHBondContact O-CB 3.3Å; L930-N934 PolarHBondContact O-N 3.38Å; L930-N934 VanDerWaalsContact O-N 3.12Å; L930-N934 PolarHBondContact O-ND2 3.48Å |
| 931 | V | 81.2 | Confident | 76.2 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.7 | -34.7 | 174.9 | 170 | 0 | 0 | 0 | 0 | 112.2 | H927 K928 Q929 A935 | H927-V931 WeakPolarHBondContact O-CG2 3.05Å; H927-V931 PolarHBondContact O-N 2.79Å; H927-V931 VanDerWaalsContact O-N 3.14Å; K928-V931 PolarHBondContact O-N 2.95Å; Q929-V931 PolarHBondContact O-N 3.13Å; Q929-V931 VanDerWaalsContact O-N 3.08Å; V931-A935 PolarHBondContact O-N 3.34Å |
| 932 | H | 81.5 | Confident | 75 | Confident | 102 Ų | 102 | 99 Ų | 99 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -51.3 | 172.3 | -168.8 | -83.4 | 0 | 0 | 0 | 111.3 | K928 Q929 N934 A935 E936 | K928-H932 PolarHBondContact O-N 3.38Å; K928-H932 VanDerWaalsContact O-N 3.16Å; Q929-H932 WeakPolarHBondContact O-CA 3.37Å; Q929-H932 VanDerWaalsContact O-CB 3.29Å; Q929-H932 WeakPolarHBondContact O-CB 3.1Å; Q929-H932 PolarHBondContact O-N 3.31Å; H932-N934 VanDerWaalsContact C-N 3.29Å; H932-N934 PolarHBondContact O-N 3.23Å; H932-A935 WeakPolarHBondContact O-CA 3.37Å; H932-A935 VanDerWaalsContact O-CB 3.32Å; H932-A935 WeakPolarHBondContact O-CB 3.42Å; H932-A935 PolarHBondContact O-N 3.06Å; H932-E936 IonicContact CE1-OE1 2.64Å; H932-E936 IonicContact CE1-OE2 3.38Å; H932-E936 PolarHBondContact CE1-OE2 3.35Å; H932-E936 IonicContact ND1-OE2 2.66Å; H932-E936 PolarHBondContact ND1-OE2 2.93Å; H932-E936 PolarHBondContact O-N 3.44Å |
| 933 | D | 79.7 | Confident | 74.4 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 28% | 0.278 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | -177.8 | -47.1 | -28.6 | 0 | 0 | 0 | 110.6 | Q929 A935 E936 L937 | Q929-D933 PolarHBondContact NE2-OD1 2.91Å; Q929-D933 PolarHBondContact O-N 2.99Å; D933-A935 VanDerWaalsContact C-N 3.25Å; D933-A935 PolarHBondContact O-N 3.05Å; D933-E936 PolarHBondContact O-N 2.99Å; D933-L937 WeakPolarHBondContact O-CB 3.41Å; D933-L937 VanDerWaalsContact O-CG 3.26Å; D933-L937 WeakPolarHBondContact O-CG 3.48Å; D933-L937 PolarHBondContact O-N 3.29Å |
| 934 | N | 70.3 | Confident | 73.9 | Confident | 89 Ų | 89 | 97.7 Ų | 97.7 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -25.7 | 174.1 | -89.2 | -97.1 | 0 | 0 | 0 | 113.5 | L930 H932 R938 | L930-N934 VanDerWaalsContact O-CB 3.31Å; L930-N934 WeakPolarHBondContact O-CB 3.3Å; L930-N934 PolarHBondContact O-N 3.38Å; L930-N934 VanDerWaalsContact O-N 3.12Å; L930-N934 PolarHBondContact O-ND2 3.48Å; H932-N934 VanDerWaalsContact C-N 3.29Å; H932-N934 PolarHBondContact O-N 3.23Å; N934-R938 WeakPolarHBondContact O-CB 3.18Å; N934-R938 VanDerWaalsContact O-CD 3.24Å; N934-R938 WeakPolarHBondContact O-CD 3.38Å; N934-R938 WeakPolarHBondContact O-CG 3.43Å; N934-R938 PolarHBondContact O-N 3.41Å |
| 935 | A | 75.3 | Confident | 73.3 | Confident | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V931 H932 D933 R938 C939 | V931-A935 PolarHBondContact O-N 3.34Å; H932-A935 WeakPolarHBondContact O-CA 3.37Å; H932-A935 VanDerWaalsContact O-CB 3.32Å; H932-A935 WeakPolarHBondContact O-CB 3.42Å; H932-A935 PolarHBondContact O-N 3.06Å; D933-A935 VanDerWaalsContact C-N 3.25Å; D933-A935 PolarHBondContact O-N 3.05Å; A935-R938 PolarHBondContact O-N 3.39Å; A935-C939 PolarHBondContact O-N 3.03Å; A935-C939 PolarHBondContact O-SG 2.93Å |
| 936 | E | 71.2 | Confident | 73.1 | Confident | 106 Ų | 106 | 101.2 Ų | 101.2 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -45.8 | 175.9 | -69.6 | -173.8 | 123.3 | 0 | 0 | 112 | H932 D933 R938 C939 E940 | H932-E936 IonicContact CE1-OE1 2.64Å; H932-E936 IonicContact CE1-OE2 3.38Å; H932-E936 PolarHBondContact CE1-OE2 3.35Å; H932-E936 IonicContact ND1-OE2 2.66Å; H932-E936 PolarHBondContact ND1-OE2 2.93Å; H932-E936 PolarHBondContact O-N 3.44Å; D933-E936 PolarHBondContact O-N 2.99Å; E936-R938 PolarHBondContact O-N 3.44Å; E936-C939 CarbonylContact O-C 3.37Å; E936-C939 WeakPolarHBondContact O-CA 3.48Å; E936-C939 WeakPolarHBondContact O-CB 3.48Å; E936-C939 PolarHBondContact O-N 3.07Å; E936-E940 PolarHBondContact O-N 3.33Å |
| 937 | L | 73.9 | Confident | 72.8 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.4 | -36.1 | 175.7 | -71.5 | 169.1 | 0 | 0 | 0 | 112.4 | D933 C939 E940 L941 | D933-L937 WeakPolarHBondContact O-CB 3.41Å; D933-L937 VanDerWaalsContact O-CG 3.26Å; D933-L937 WeakPolarHBondContact O-CG 3.48Å; D933-L937 PolarHBondContact O-N 3.29Å; L937-C939 VanDerWaalsContact C-N 3.32Å; L937-C939 PolarHBondContact O-N 2.92Å; L937-E940 PolarHBondContact O-N 3.2Å; L937-L941 WeakPolarHBondContact O-CB 3.25Å; L937-L941 PolarHBondContact O-N 3.04Å |
| 938 | R | 66.4 | Low | 72.8 | Confident | 171 Ų | 171 | 103.8 Ų | 103.8 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.5 | -25.8 | 173.8 | -77.3 | 173 | 170.5 | -156.3 | -12.4 | 113.6 | N934 A935 E936 P942 | N934-R938 WeakPolarHBondContact O-CB 3.18Å; N934-R938 VanDerWaalsContact O-CD 3.24Å; N934-R938 WeakPolarHBondContact O-CD 3.38Å; N934-R938 WeakPolarHBondContact O-CG 3.43Å; N934-R938 PolarHBondContact O-N 3.41Å; A935-R938 PolarHBondContact O-N 3.39Å; E936-R938 PolarHBondContact O-N 3.44Å; R938-P942 VanDerWaalsContact O-CD 3.32Å; R938-P942 WeakPolarHBondContact O-CD 3.49Å |
| 939 | C | 71.8 | Confident | 72.3 | Confident | 81 Ų | 81 | 102.6 Ų | 102.6 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -83.4 | -28.9 | 173.6 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | A935 E936 L937 K943 | A935-C939 PolarHBondContact O-N 3.03Å; A935-C939 PolarHBondContact O-SG 2.93Å; E936-C939 CarbonylContact O-C 3.37Å; E936-C939 WeakPolarHBondContact O-CA 3.48Å; E936-C939 WeakPolarHBondContact O-CB 3.48Å; E936-C939 PolarHBondContact O-N 3.07Å; L937-C939 VanDerWaalsContact C-N 3.32Å; L937-C939 PolarHBondContact O-N 2.92Å; C939-K943 WeakPolarHBondContact O-CE 3.4Å |
| 940 | E | 64.2 | Low | 71.9 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.5 | -36.2 | 176.9 | -70.8 | -51.7 | 128 | 0 | 0 | 113.6 | E936 L937 K943 M944 | E936-E940 PolarHBondContact O-N 3.33Å; L937-E940 PolarHBondContact O-N 3.2Å; E940-K943 WeakPolarHBondContact O-CA 3.47Å; E940-K943 WeakPolarHBondContact O-CB 3.37Å; E940-K943 PolarHBondContact O-N 3.4Å; E940-K943 WeakPolarHBondContact OE1-CE 3.44Å; E940-K943 IonicContact OE1-NZ 3.09Å; E940-K943 PolarHBondContact OE1-NZ 3.34Å; E940-K943 WeakPolarHBondContact OE2-CD 3.14Å; E940-K943 IonicContact OE2-NZ 2.79Å; E940-M944 PolarHBondContact O-N 3.02Å |
| 941 | L | 57.5 | Low | 71.5 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -46.3 | -50.7 | -179.6 | -102.7 | 166.4 | 0 | 0 | 0 | 113.8 | L937 K943 M944 E945 | L937-L941 WeakPolarHBondContact O-CB 3.25Å; L937-L941 PolarHBondContact O-N 3.04Å; L941-K943 VanDerWaalsContact C-N 3.29Å; L941-K943 PolarHBondContact O-N 2.84Å; L941-M944 PolarHBondContact O-N 2.89Å; L941-E945 PolarHBondContact O-N 3.36Å |
| 942 | P | 60.8 | Low | 71.4 | Confident | 80 Ų | 80 | 100 Ų | 100 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -27.4 | 177.7 | -22.5 | 34.7 | 0 | 0 | 0 | 114.2 | R938 K946 | R938-P942 VanDerWaalsContact O-CD 3.32Å; R938-P942 WeakPolarHBondContact O-CD 3.49Å; P942-K946 WeakPolarHBondContact O-CB 3.28Å; P942-K946 PolarHBondContact O-N 3.39Å |
| 943 | K | 69.4 | Low | 71.2 | Confident | 106 Ų | 106 | 101.7 Ų | 101.7 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.1 | -42.1 | 175.8 | -52.4 | -177.8 | -160.5 | 165.8 | 0 | 110.3 | C939 E940 L941 K946 R947 | C939-K943 WeakPolarHBondContact O-CE 3.4Å; E940-K943 WeakPolarHBondContact O-CA 3.47Å; E940-K943 WeakPolarHBondContact O-CB 3.37Å; E940-K943 PolarHBondContact O-N 3.4Å; E940-K943 WeakPolarHBondContact OE1-CE 3.44Å; E940-K943 IonicContact OE1-NZ 3.09Å; E940-K943 PolarHBondContact OE1-NZ 3.34Å; E940-K943 WeakPolarHBondContact OE2-CD 3.14Å; E940-K943 IonicContact OE2-NZ 2.79Å; L941-K943 VanDerWaalsContact C-N 3.29Å; L941-K943 PolarHBondContact O-N 2.84Å; K943-K946 PolarHBondContact O-N 3.29Å; K943-R947 WeakPolarHBondContact O-CG 3.46Å; K943-R947 PolarHBondContact O-N 3.46Å |
| 944 | M | 71.1 | Confident | 71.1 | Confident | 92 Ų | 92 | 107.1 Ų | 107.1 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 176.4 | -66.1 | -59.7 | -81.9 | 0 | 0 | 111.8 | E940 L941 K946 R947 L948 | E940-M944 PolarHBondContact O-N 3.02Å; L941-M944 PolarHBondContact O-N 2.89Å; M944-K946 VanDerWaalsContact C-N 3.31Å; M944-K946 PolarHBondContact O-N 3.23Å; M944-R947 PolarHBondContact O-N 3.44Å; M944-R947 PolarHBondContact SD-NH1 3.3Å; M944-L948 WeakPolarHBondContact O-CB 3.19Å; M944-L948 PolarHBondContact O-N 2.96Å |
| 945 | E | 66.8 | Low | 71 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.3 | -42.2 | 169.4 | -84.2 | -161.1 | -158 | 0 | 0 | 112.8 | L941 L948 K949 | L941-E945 PolarHBondContact O-N 3.36Å; E945-L948 PolarHBondContact O-N 3.44Å; E945-K949 WeakPolarHBondContact O-CB 3.25Å; E945-K949 WeakPolarHBondContact O-CG 3.45Å; E945-K949 PolarHBondContact O-N 2.89Å; E945-K949 IonicContact OE2-NZ 3.3Å; E945-K949 PolarHBondContact OE2-NZ 3.47Å |
| 946 | K | 78.2 | Confident | 70.9 | Confident | 161 Ų | 161 | 111.1 Ų | 111.1 | 70% | 0.7 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 179.5 | -171.3 | 179.1 | 178.8 | -175.7 | 0 | 111.6 | P942 K943 M944 S950 | P942-K946 WeakPolarHBondContact O-CB 3.28Å; P942-K946 PolarHBondContact O-N 3.39Å; K943-K946 PolarHBondContact O-N 3.29Å; M944-K946 VanDerWaalsContact C-N 3.31Å; M944-K946 PolarHBondContact O-N 3.23Å; K946-S950 PolarHBondContact O-N 3Å; K946-S950 VanDerWaalsContact O-N 3.15Å |
| 947 | R | 74.4 | Confident | 71.1 | Confident | 157 Ų | 157 | 109.5 Ų | 109.5 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.3 | -50.6 | 170.1 | -75.5 | 172.5 | 170.6 | 160.8 | -4.6 | 110.6 | K943 M944 K949 S950 T951 | K943-R947 WeakPolarHBondContact O-CG 3.46Å; K943-R947 PolarHBondContact O-N 3.46Å; M944-R947 PolarHBondContact O-N 3.44Å; M944-R947 PolarHBondContact SD-NH1 3.3Å; R947-K949 PolarHBondContact O-N 2.68Å; R947-S950 WeakPolarHBondContact O-CB 3.24Å; R947-S950 PolarHBondContact O-N 2.96Å; R947-S950 VanDerWaalsContact O-N 3.12Å; R947-T951 PolarHBondContact O-N 3.33Å; R947-T951 PolarHBondContact O-OG1 2.97Å |
| 948 | L | 75.2 | Confident | 71.1 | Confident | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | -179.3 | -178 | 61.6 | 0 | 0 | 0 | 113.3 | M944 E945 T951 L952 | M944-L948 WeakPolarHBondContact O-CB 3.19Å; M944-L948 PolarHBondContact O-N 2.96Å; E945-L948 PolarHBondContact O-N 3.44Å; L948-T951 WeakPolarHBondContact CA-OG1 3.47Å; L948-T951 PolarHBondContact O-OG1 2.93Å; L948-T951 VanDerWaalsContact O-OG1 3.06Å; L948-L952 HydrophobicContact CD1-CD1 4.48Å; L948-L952 HydrophobicContact CG-CD1 4.3Å; L948-L952 WeakPolarHBondContact O-CB 3.44Å; L948-L952 WeakPolarHBondContact O-CG 3.4Å; L948-L952 PolarHBondContact O-N 3.35Å |
| 949 | K | 71.7 | Confident | 71.3 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 173.6 | -75.5 | 160.2 | -179.3 | 155.5 | 0 | 111.3 | E945 R947 L952 E953 | E945-K949 WeakPolarHBondContact O-CB 3.25Å; E945-K949 WeakPolarHBondContact O-CG 3.45Å; E945-K949 PolarHBondContact O-N 2.89Å; E945-K949 IonicContact OE2-NZ 3.3Å; E945-K949 PolarHBondContact OE2-NZ 3.47Å; R947-K949 PolarHBondContact O-N 2.68Å; K949-L952 PolarHBondContact O-N 2.69Å; K949-E953 PolarHBondContact O-N 3.42Å |
| 950 | S | 70.7 | Confident | 71.7 | Confident | 76 Ų | 76 | 107.3 Ų | 107.3 | 53% | 0.531 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.7 | -173 | 0 | 0 | 0 | 0 | 112.9 | K946 R947 E953 R954 | K946-S950 PolarHBondContact O-N 3Å; K946-S950 VanDerWaalsContact O-N 3.15Å; R947-S950 WeakPolarHBondContact O-CB 3.24Å; R947-S950 PolarHBondContact O-N 2.96Å; R947-S950 VanDerWaalsContact O-N 3.12Å; S950-E953 PolarHBondContact O-N 3.36Å; S950-R954 PolarHBondContact O-N 3.23Å |
| 951 | T | 70.8 | Confident | 72.3 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | R947 L948 E953 R954 V955 | R947-T951 PolarHBondContact O-N 3.33Å; R947-T951 PolarHBondContact O-OG1 2.97Å; L948-T951 WeakPolarHBondContact CA-OG1 3.47Å; L948-T951 PolarHBondContact O-OG1 2.93Å; L948-T951 VanDerWaalsContact O-OG1 3.06Å; T951-E953 VanDerWaalsContact C-N 3.34Å; T951-E953 PolarHBondContact O-N 3.29Å; T951-R954 PolarHBondContact O-N 3.32Å; T951-V955 WeakPolarHBondContact O-CB 3.17Å; T951-V955 VanDerWaalsContact O-CG2 3.3Å; T951-V955 WeakPolarHBondContact O-CG2 3.36Å; T951-V955 PolarHBondContact O-N 2.82Å |
| 952 | L | 77.5 | Confident | 73 | Confident | 82 Ų | 82 | 107.5 Ų | 107.5 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 172.3 | -82.3 | 165.9 | 0 | 0 | 0 | 112.9 | L948 K949 R956 | L948-L952 HydrophobicContact CD1-CD1 4.48Å; L948-L952 HydrophobicContact CG-CD1 4.3Å; L948-L952 WeakPolarHBondContact O-CB 3.44Å; L948-L952 WeakPolarHBondContact O-CG 3.4Å; L948-L952 PolarHBondContact O-N 3.35Å; K949-L952 PolarHBondContact O-N 2.69Å; L952-R956 WeakPolarHBondContact O-CG 3.43Å; L952-R956 PolarHBondContact O-N 2.68Å; L952-R956 VanDerWaalsContact O-N 3.08Å |
| 953 | E | 77.5 | Confident | 73.8 | Confident | 136 Ų | 136 | 109.6 Ų | 109.6 | 64% | 0.636 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -40.7 | 172.7 | -71.9 | -178.5 | 146.9 | 0 | 0 | 111.9 | K949 S950 T951 R956 S957 | K949-E953 PolarHBondContact O-N 3.42Å; S950-E953 PolarHBondContact O-N 3.36Å; T951-E953 VanDerWaalsContact C-N 3.34Å; T951-E953 PolarHBondContact O-N 3.29Å; E953-R956 PolarHBondContact O-N 2.85Å; E953-S957 PolarHBondContact O-N 2.78Å |
| 954 | R | 77.5 | Confident | 74.3 | Confident | 166 Ų | 166 | 110.2 Ų | 110.2 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 173.7 | -164.6 | 178.1 | 97.4 | 157.3 | 3.4 | 111.7 | S950 T951 S957 L958 | S950-R954 PolarHBondContact O-N 3.23Å; T951-R954 PolarHBondContact O-N 3.32Å; R954-S957 WeakPolarHBondContact O-CB 3.47Å; R954-S957 PolarHBondContact O-N 2.91Å; R954-L958 HydrophobicContact CG-CD1 4.13Å; R954-L958 WeakPolarHBondContact O-CG 3.47Å; R954-L958 PolarHBondContact O-N 3.49Å |
| 955 | V | 70 | Confident | 74.6 | Confident | 68 Ų | 68 | 108.8 Ų | 108.8 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 177.8 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | T951 S957 L958 E959 | T951-V955 WeakPolarHBondContact O-CB 3.17Å; T951-V955 VanDerWaalsContact O-CG2 3.3Å; T951-V955 WeakPolarHBondContact O-CG2 3.36Å; T951-V955 PolarHBondContact O-N 2.82Å; V955-S957 VanDerWaalsContact C-N 3.27Å; V955-S957 PolarHBondContact O-N 3.32Å; V955-L958 CarbonylContact O-C 3.59Å; V955-L958 PolarHBondContact O-N 3.31Å; V955-L958 VanDerWaalsContact O-N 3.09Å; V955-E959 HydrophobicContact CG1-CG 4.17Å; V955-E959 WeakPolarHBondContact O-CG 3.37Å; V955-E959 PolarHBondContact O-N 3.02Å |
| 956 | R | 71.6 | Confident | 75.1 | Confident | 159 Ų | 159 | 110.7 Ų | 110.7 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.8 | -37.1 | 176.9 | -74.5 | 175.9 | -177.2 | 151.3 | 1.7 | 113.5 | L952 E953 L960 | L952-R956 WeakPolarHBondContact O-CG 3.43Å; L952-R956 PolarHBondContact O-N 2.68Å; L952-R956 VanDerWaalsContact O-N 3.08Å; E953-R956 PolarHBondContact O-N 2.85Å; R956-L960 WeakPolarHBondContact O-CB 2.96Å; R956-L960 PolarHBondContact O-N 3.42Å; R956-L960 VanDerWaalsContact O-N 3.09Å |
| 957 | S | 76.3 | Confident | 75.2 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 175 | -165.8 | 0 | 0 | 0 | 0 | 111.3 | E953 R954 V955 L960 S961 | E953-S957 PolarHBondContact O-N 2.78Å; R954-S957 WeakPolarHBondContact O-CB 3.47Å; R954-S957 PolarHBondContact O-N 2.91Å; V955-S957 VanDerWaalsContact C-N 3.27Å; V955-S957 PolarHBondContact O-N 3.32Å; S957-L960 PolarHBondContact O-N 3.4Å; S957-S961 PolarHBondContact O-N 2.86Å; S957-S961 PolarHBondContact O-OG 3.43Å |
| 958 | L | 74 | Confident | 75.3 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.9 | -69.5 | 168.6 | 0 | 0 | 0 | 112.6 | R954 V955 L960 S961 L962 | R954-L958 HydrophobicContact CG-CD1 4.13Å; R954-L958 WeakPolarHBondContact O-CG 3.47Å; R954-L958 PolarHBondContact O-N 3.49Å; V955-L958 CarbonylContact O-C 3.59Å; V955-L958 PolarHBondContact O-N 3.31Å; V955-L958 VanDerWaalsContact O-N 3.09Å; L958-L960 VanDerWaalsContact C-N 3.33Å; L958-L960 PolarHBondContact O-N 3.1Å; L958-S961 PolarHBondContact O-N 3.06Å; L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 PolarHBondContact O-N 3.45Å |
| 959 | E | 70.3 | Confident | 75.4 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 173.3 | -73.1 | 174 | 149.7 | 0 | 0 | 111.7 | V955 K963 | V955-E959 HydrophobicContact CG1-CG 4.17Å; V955-E959 WeakPolarHBondContact O-CG 3.37Å; V955-E959 PolarHBondContact O-N 3.02Å; E959-K963 WeakPolarHBondContact O-CB 3.33Å; E959-K963 PolarHBondContact O-N 3.36Å |
| 960 | L | 79.2 | Confident | 75.7 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -50.5 | 176.9 | -165.8 | 74 | 0 | 0 | 0 | 111 | R956 S957 L958 L962 K963 E964 | R956-L960 WeakPolarHBondContact O-CB 2.96Å; R956-L960 PolarHBondContact O-N 3.42Å; R956-L960 VanDerWaalsContact O-N 3.09Å; S957-L960 PolarHBondContact O-N 3.4Å; L958-L960 VanDerWaalsContact C-N 3.33Å; L958-L960 PolarHBondContact O-N 3.1Å; L960-L962 VanDerWaalsContact C-N 3.34Å; L960-L962 PolarHBondContact O-N 3.08Å; L960-K963 WeakPolarHBondContact O-CB 3.47Å; L960-K963 PolarHBondContact O-N 2.94Å; L960-E964 WeakPolarHBondContact O-CG 3.25Å; L960-E964 PolarHBondContact O-N 2.94Å |
| 961 | S | 77.6 | Confident | 76.2 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 43% | 0.427 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | S957 L958 K963 E964 A965 | S957-S961 PolarHBondContact O-N 2.86Å; S957-S961 PolarHBondContact O-OG 3.43Å; L958-S961 PolarHBondContact O-N 3.06Å; S961-K963 VanDerWaalsContact C-N 3.35Å; S961-E964 PolarHBondContact O-N 2.95Å; S961-A965 VanDerWaalsContact O-CB 3.29Å; S961-A965 WeakPolarHBondContact O-CB 3.14Å; S961-A965 PolarHBondContact O-N 2.82Å |
| 962 | L | 71.4 | Confident | 76.7 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 174.5 | -177.8 | 66.7 | 0 | 0 | 0 | 111.3 | L958 L960 K966 | L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 PolarHBondContact O-N 3.45Å; L960-L962 VanDerWaalsContact C-N 3.34Å; L960-L962 PolarHBondContact O-N 3.08Å; L962-K966 WeakPolarHBondContact O-CB 3.12Å; L962-K966 PolarHBondContact O-N 2.76Å |
| 963 | K | 78.3 | Confident | 76.8 | Confident | 125 Ų | 125 | 105 Ų | 105 | 54% | 0.543 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 173.7 | -176.6 | -174.4 | 173.5 | -171.4 | 0 | 111.3 | E959 L960 S961 A965 K966 E967 | E959-K963 WeakPolarHBondContact O-CB 3.33Å; E959-K963 PolarHBondContact O-N 3.36Å; L960-K963 WeakPolarHBondContact O-CB 3.47Å; L960-K963 PolarHBondContact O-N 2.94Å; S961-K963 VanDerWaalsContact C-N 3.35Å; K963-A965 PolarHBondContact O-N 3.22Å; K963-K966 PolarHBondContact O-N 2.81Å; K963-E967 VanDerWaalsContact CE-OE1 3.3Å; K963-E967 WeakPolarHBondContact CE-OE1 3.3Å; K963-E967 WeakPolarHBondContact O-CG 3.23Å; K963-E967 PolarHBondContact O-N 3.11Å |
| 964 | E | 80.4 | Confident | 77.1 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 177.7 | -71.2 | -179.1 | 153.7 | 0 | 0 | 112.1 | L960 S961 E967 G968 | L960-E964 WeakPolarHBondContact O-CG 3.25Å; L960-E964 PolarHBondContact O-N 2.94Å; S961-E964 PolarHBondContact O-N 2.95Å; E964-E967 PolarHBondContact O-N 2.77Å; E964-G968 PolarHBondContact O-N 3.39Å |
| 965 | A | 77.4 | Confident | 77.3 | Confident | 62 Ų | 62 | 107.1 Ų | 107.1 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S961 K963 G968 A969 | S961-A965 VanDerWaalsContact O-CB 3.29Å; S961-A965 WeakPolarHBondContact O-CB 3.14Å; S961-A965 PolarHBondContact O-N 2.82Å; K963-A965 PolarHBondContact O-N 3.22Å; A965-G968 PolarHBondContact O-N 3.24Å; A965-A969 WeakPolarHBondContact O-CB 3.5Å; A965-A969 PolarHBondContact O-N 2.96Å |
| 966 | K | 77 | Confident | 77.8 | Confident | 139 Ų | 139 | 112.2 Ų | 112.2 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 176.4 | -174.3 | 175.1 | -178 | 175.1 | 0 | 111.9 | L962 K963 M970 | L962-K966 WeakPolarHBondContact O-CB 3.12Å; L962-K966 PolarHBondContact O-N 2.76Å; K963-K966 PolarHBondContact O-N 2.81Å; K966-M970 HydrophobicContact CG-CE 4.4Å; K966-M970 WeakPolarHBondContact O-CG 3.42Å; K966-M970 PolarHBondContact O-N 3.15Å |
| 967 | E | 81 | Confident | 78 | Confident | 75 Ų | 75 | 109.4 Ų | 109.4 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 172.5 | -70.8 | -173.9 | -155.8 | 0 | 0 | 112.2 | K963 E964 M970 R971 | K963-E967 VanDerWaalsContact CE-OE1 3.3Å; K963-E967 WeakPolarHBondContact CE-OE1 3.3Å; K963-E967 WeakPolarHBondContact O-CG 3.23Å; K963-E967 PolarHBondContact O-N 3.11Å; E964-E967 PolarHBondContact O-N 2.77Å; E967-M970 HydrophobicContact CG-CE 4.31Å; E967-M970 PolarHBondContact O-N 2.81Å; E967-R971 VanDerWaalsContact CB-NH2 3.26Å; E967-R971 VanDerWaalsContact O-CG 3.27Å; E967-R971 WeakPolarHBondContact O-CG 3.34Å; E967-R971 PolarHBondContact O-N 2.86Å; E967-R971 IonicContact OE2-CZ 2.64Å; E967-R971 IonicContact OE2-NH2 3.25Å; E967-R971 PolarHBondContact OE2-NH2 3.29Å |
| 968 | G | 75.4 | Confident | 78.4 | Confident | 17 Ų | 17 | 110.8 Ų | 110.8 | 18% | 0.175 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -55.9 | -56 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | E964 A965 M970 R971 D972 | E964-G968 PolarHBondContact O-N 3.39Å; A965-G968 PolarHBondContact O-N 3.24Å; G968-M970 VanDerWaalsContact C-N 3.26Å; G968-M970 PolarHBondContact O-N 3.15Å; G968-R971 WeakPolarHBondContact O-CA 3.33Å; G968-R971 WeakPolarHBondContact O-CB 3.1Å; G968-R971 PolarHBondContact O-N 3.16Å; G968-D972 PolarHBondContact O-N 3.01Å |
| 969 | A | 78.2 | Confident | 78.6 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 51% | 0.512 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.8 | -35.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | A965 R973 | A965-A969 WeakPolarHBondContact O-CB 3.5Å; A965-A969 PolarHBondContact O-N 2.96Å; A969-R973 VanDerWaalsContact O-CB 3.24Å; A969-R973 WeakPolarHBondContact O-CB 3.13Å; A969-R973 PolarHBondContact O-N 2.81Å |
| 970 | M | 77.5 | Confident | 78.9 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 172.9 | -75.5 | -169.4 | -63.2 | 0 | 0 | 113 | K966 E967 G968 K974 | K966-M970 HydrophobicContact CG-CE 4.4Å; K966-M970 WeakPolarHBondContact O-CG 3.42Å; K966-M970 PolarHBondContact O-N 3.15Å; E967-M970 HydrophobicContact CG-CE 4.31Å; E967-M970 PolarHBondContact O-N 2.81Å; G968-M970 VanDerWaalsContact C-N 3.26Å; G968-M970 PolarHBondContact O-N 3.15Å; M970-K974 WeakPolarHBondContact O-CB 3.24Å; M970-K974 PolarHBondContact O-N 2.8Å; M970-K974 VanDerWaalsContact O-N 3.08Å |
| 971 | R | 82.3 | Confident | 78.9 | Confident | 137 Ų | 137 | 106.4 Ų | 106.4 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.3 | -66.6 | 168.9 | -146.4 | 134.8 | -2.2 | 110.7 | E967 G968 K974 R975 | E967-R971 VanDerWaalsContact CB-NH2 3.26Å; E967-R971 VanDerWaalsContact O-CG 3.27Å; E967-R971 WeakPolarHBondContact O-CG 3.34Å; E967-R971 PolarHBondContact O-N 2.86Å; E967-R971 IonicContact OE2-CZ 2.64Å; E967-R971 IonicContact OE2-NH2 3.25Å; E967-R971 PolarHBondContact OE2-NH2 3.29Å; G968-R971 WeakPolarHBondContact O-CA 3.33Å; G968-R971 WeakPolarHBondContact O-CB 3.1Å; G968-R971 PolarHBondContact O-N 3.16Å; R971-K974 WeakPolarHBondContact O-CB 3.48Å; R971-K974 PolarHBondContact O-N 3.01Å; R971-R975 PolarHBondContact O-N 2.69Å |
| 972 | D | 80.9 | Confident | 79.2 | Confident | 79 Ų | 79 | 110.1 Ų | 110.1 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.1 | -42.9 | -180 | -69.9 | -29.3 | 0 | 0 | 0 | 112.5 | G968 K974 R975 Y976 | G968-D972 PolarHBondContact O-N 3.01Å; D972-K974 PolarHBondContact O-N 3.14Å; D972-R975 WeakPolarHBondContact O-CA 3.45Å; D972-R975 WeakPolarHBondContact O-CB 3.13Å; D972-R975 PolarHBondContact O-N 3.43Å; D972-Y976 HydrophobicContact CB-CE2 4.46Å; D972-Y976 WeakPolarHBondContact O-CD2 3.41Å; D972-Y976 PolarHBondContact O-N 2.95Å |
| 973 | R | 79 | Confident | 79.3 | Confident | 179 Ų | 179 | 108.3 Ų | 108.3 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -53.2 | -40.5 | 169.2 | 179.8 | 177.7 | 172.4 | -178.6 | -0.8 | 111.1 | A969 Y976 Q977 | A969-R973 VanDerWaalsContact O-CB 3.24Å; A969-R973 WeakPolarHBondContact O-CB 3.13Å; A969-R973 PolarHBondContact O-N 2.81Å; R973-Y976 PolarHBondContact O-N 2.84Å; R973-Q977 WeakPolarHBondContact O-CB 3.5Å; R973-Q977 PolarHBondContact O-N 2.73Å |
| 974 | K | 84.9 | Confident | 79.1 | Confident | 159 Ų | 159 | 107.1 Ų | 107.1 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.4 | -34.4 | 177.9 | -157.8 | 169.1 | -172.4 | 174.8 | 0 | 112.6 | M970 R971 D972 V978 | M970-K974 WeakPolarHBondContact O-CB 3.24Å; M970-K974 PolarHBondContact O-N 2.8Å; M970-K974 VanDerWaalsContact O-N 3.08Å; R971-K974 WeakPolarHBondContact O-CB 3.48Å; R971-K974 PolarHBondContact O-N 3.01Å; D972-K974 PolarHBondContact O-N 3.14Å; K974-V978 WeakPolarHBondContact O-CG2 3.36Å; K974-V978 PolarHBondContact O-N 2.72Å |
| 975 | R | 81 | Confident | 78.9 | Confident | 187 Ų | 187 | 105.1 Ų | 105.1 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -49.9 | 169.4 | -72.2 | 178.7 | 170 | -154.2 | -1.4 | 111.7 | R971 D972 Q977 V978 E979 | R971-R975 PolarHBondContact O-N 2.69Å; D972-R975 WeakPolarHBondContact O-CA 3.45Å; D972-R975 WeakPolarHBondContact O-CB 3.13Å; D972-R975 PolarHBondContact O-N 3.43Å; R975-Q977 VanDerWaalsContact C-N 3.31Å; R975-Q977 PolarHBondContact O-N 3.36Å; R975-V978 PolarHBondContact O-N 2.72Å; R975-E979 PolarHBondContact O-N 3.44Å |
| 976 | Y | 80 | Confident | 78.9 | Confident | 176 Ų | 176 | 105.9 Ų | 105.9 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.1 | -39.3 | 176.8 | -74.7 | -64.7 | 0 | 0 | 0 | 112.2 | D972 R973 V978 E979 V980 | D972-Y976 HydrophobicContact CB-CE2 4.46Å; D972-Y976 WeakPolarHBondContact O-CD2 3.41Å; D972-Y976 PolarHBondContact O-N 2.95Å; R973-Y976 PolarHBondContact O-N 2.84Å; Y976-V978 PolarHBondContact O-N 3.37Å; Y976-E979 PolarHBondContact O-N 2.89Å; Y976-V980 WeakPolarHBondContact O-CB 3.33Å; Y976-V980 VanDerWaalsContact O-CG2 3.29Å; Y976-V980 WeakPolarHBondContact O-CG2 3.15Å; Y976-V980 PolarHBondContact O-N 2.83Å |
| 977 | Q | 76.4 | Confident | 78.7 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 175.5 | -159.4 | 83.6 | 56.3 | 0 | 0 | 111.7 | R973 R975 E981 | R973-Q977 WeakPolarHBondContact O-CB 3.5Å; R973-Q977 PolarHBondContact O-N 2.73Å; R975-Q977 VanDerWaalsContact C-N 3.31Å; R975-Q977 PolarHBondContact O-N 3.36Å; Q977-E981 PolarHBondContact O-N 3.24Å; Q977-E981 VanDerWaalsContact O-N 3.1Å |
| 978 | V | 83.6 | Confident | 78.3 | Confident | 101 Ų | 101 | 105 Ų | 105 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -42.6 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | K974 R975 Y976 E981 R982 | K974-V978 WeakPolarHBondContact O-CG2 3.36Å; K974-V978 PolarHBondContact O-N 2.72Å; R975-V978 PolarHBondContact O-N 2.72Å; Y976-V978 PolarHBondContact O-N 3.37Å; V978-E981 PolarHBondContact O-N 2.78Å; V978-R982 WeakPolarHBondContact O-CB 3.19Å; V978-R982 PolarHBondContact O-N 3.5Å |
| 979 | E | 78.5 | Confident | 78.1 | Confident | 75 Ų | 75 | 109.5 Ų | 109.5 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | 179 | -174.2 | 57.2 | -161.6 | 0 | 0 | 112.2 | R975 Y976 R982 I983 | R975-E979 PolarHBondContact O-N 3.44Å; Y976-E979 PolarHBondContact O-N 2.89Å; E979-R982 VanDerWaalsContact CD-NE 3.3Å; E979-R982 WeakPolarHBondContact O-CB 3.16Å; E979-R982 PolarHBondContact O-N 3.37Å; E979-R982 IonicContact OE1-CZ 2.82Å; E979-R982 VanDerWaalsContact OE1-CZ 3.28Å; E979-R982 IonicContact OE1-NE 3.7Å; E979-R982 PolarHBondContact OE1-NE 2.79Å; E979-R982 VanDerWaalsContact OE1-NE 3.09Å; E979-R982 IonicContact OE1-NH2 3.98Å; E979-R982 PolarHBondContact OE1-NH2 2.97Å; E979-R982 WeakPolarHBondContact OE2-CD 3.13Å; E979-R982 IonicContact OE2-CZ 2.85Å; E979-R982 IonicContact OE2-NE 3.5Å; E979-R982 PolarHBondContact OE2-NE 2.88Å; E979-R982 IonicContact OE2-NH2 2.75Å; E979-I983 HydrophobicContact CG-CD1 4.15Å; E979-I983 VanDerWaalsContact O-CG1 3.28Å; E979-I983 WeakPolarHBondContact O-CG1 3.42Å; E979-I983 PolarHBondContact O-N 3.01Å |
| 980 | V | 77.8 | Confident | 77.7 | Confident | 64 Ų | 64 | 116.1 Ų | 116.1 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 172.4 | 165.2 | 0 | 0 | 0 | 0 | 111.6 | Y976 I983 K984 | Y976-V980 WeakPolarHBondContact O-CB 3.33Å; Y976-V980 VanDerWaalsContact O-CG2 3.29Å; Y976-V980 WeakPolarHBondContact O-CG2 3.15Å; Y976-V980 PolarHBondContact O-N 2.83Å; V980-I983 PolarHBondContact O-N 2.85Å; V980-K984 HydrophobicContact CG1-CD 4.16Å; V980-K984 WeakPolarHBondContact O-CB 3.16Å; V980-K984 VanDerWaalsContact O-CG 3.31Å; V980-K984 WeakPolarHBondContact O-CG 3.44Å; V980-K984 PolarHBondContact O-N 2.83Å |
| 981 | E | 79.3 | Confident | 76.9 | Confident | 84 Ų | 84 | 115.6 Ų | 115.6 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 174.1 | -65.4 | -47.8 | 133.3 | 0 | 0 | 112.4 | Q977 V978 I983 K984 E985 | Q977-E981 PolarHBondContact O-N 3.24Å; Q977-E981 VanDerWaalsContact O-N 3.1Å; V978-E981 PolarHBondContact O-N 2.78Å; E981-I983 PolarHBondContact O-N 2.75Å; E981-K984 PolarHBondContact O-N 3.35Å; E981-K984 WeakPolarHBondContact OE1-CD 3.41Å; E981-K984 IonicContact OE1-NZ 3.58Å; E981-K984 PolarHBondContact OE1-NZ 2.74Å; E981-K984 VanDerWaalsContact OE2-CD 3.22Å; E981-K984 WeakPolarHBondContact OE2-CD 3.26Å; E981-K984 IonicContact OE2-NZ 2.71Å; E981-E985 WeakPolarHBondContact O-CB 3.49Å; E981-E985 PolarHBondContact O-N 3.3Å |
| 982 | R | 82.2 | Confident | 76.1 | Confident | 139 Ų | 139 | 113.6 Ų | 113.6 | 53% | 0.525 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 172.6 | -163.5 | -171.9 | 74.4 | 81.5 | 1.2 | 111.8 | V978 E979 E985 V986 | V978-R982 WeakPolarHBondContact O-CB 3.19Å; V978-R982 PolarHBondContact O-N 3.5Å; E979-R982 VanDerWaalsContact CD-NE 3.3Å; E979-R982 WeakPolarHBondContact O-CB 3.16Å; E979-R982 PolarHBondContact O-N 3.37Å; E979-R982 IonicContact OE1-CZ 2.82Å; E979-R982 VanDerWaalsContact OE1-CZ 3.28Å; E979-R982 IonicContact OE1-NE 3.7Å; E979-R982 PolarHBondContact OE1-NE 2.79Å; E979-R982 VanDerWaalsContact OE1-NE 3.09Å; E979-R982 IonicContact OE1-NH2 3.98Å; E979-R982 PolarHBondContact OE1-NH2 2.97Å; E979-R982 WeakPolarHBondContact OE2-CD 3.13Å; E979-R982 IonicContact OE2-CZ 2.85Å; E979-R982 IonicContact OE2-NE 3.5Å; E979-R982 PolarHBondContact OE2-NE 2.88Å; E979-R982 IonicContact OE2-NH2 2.75Å; R982-E985 PolarHBondContact O-N 3.46Å; R982-V986 WeakPolarHBondContact O-CG2 3.49Å; R982-V986 PolarHBondContact O-N 2.75Å |
| 983 | I | 74.3 | Confident | 75.2 | Confident | 87 Ų | 87 | 114.9 Ų | 114.9 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 176.1 | -68.9 | 163.8 | 0 | 0 | 0 | 110.7 | E979 V980 E981 E985 V986 V987 | E979-I983 HydrophobicContact CG-CD1 4.15Å; E979-I983 VanDerWaalsContact O-CG1 3.28Å; E979-I983 WeakPolarHBondContact O-CG1 3.42Å; E979-I983 PolarHBondContact O-N 3.01Å; V980-I983 PolarHBondContact O-N 2.85Å; E981-I983 PolarHBondContact O-N 2.75Å; I983-E985 VanDerWaalsContact C-N 3.3Å; I983-E985 PolarHBondContact O-N 2.7Å; I983-V986 PolarHBondContact O-N 3.09Å; I983-V987 HydrophobicContact CG2-CG2 4.44Å; I983-V987 WeakPolarHBondContact O-CG2 3.37Å; I983-V987 PolarHBondContact O-N 2.7Å |
| 984 | K | 75 | Confident | 73.9 | Confident | 100 Ų | 100 | 109.7 Ų | 109.7 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 175.2 | -75.6 | 167.7 | 177.4 | 178.9 | 0 | 112.2 | V980 E981 V987 R988 | V980-K984 HydrophobicContact CG1-CD 4.16Å; V980-K984 WeakPolarHBondContact O-CB 3.16Å; V980-K984 VanDerWaalsContact O-CG 3.31Å; V980-K984 WeakPolarHBondContact O-CG 3.44Å; V980-K984 PolarHBondContact O-N 2.83Å; E981-K984 PolarHBondContact O-N 3.35Å; E981-K984 WeakPolarHBondContact OE1-CD 3.41Å; E981-K984 IonicContact OE1-NZ 3.58Å; E981-K984 PolarHBondContact OE1-NZ 2.74Å; E981-K984 VanDerWaalsContact OE2-CD 3.22Å; E981-K984 WeakPolarHBondContact OE2-CD 3.26Å; E981-K984 IonicContact OE2-NZ 2.71Å; K984-V987 PolarHBondContact O-N 2.95Å; K984-R988 WeakPolarHBondContact O-CB 3.5Å; K984-R988 PolarHBondContact O-N 2.83Å |
| 985 | E | 74.6 | Confident | 72.3 | Confident | 77 Ų | 77 | 112.8 Ų | 112.8 | 36% | 0.36 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -51.9 | 176 | -174.4 | 58.3 | -123.1 | 0 | 0 | 111.4 | E981 R982 I983 V987 R988 Q989 | E981-E985 WeakPolarHBondContact O-CB 3.49Å; E981-E985 PolarHBondContact O-N 3.3Å; R982-E985 PolarHBondContact O-N 3.46Å; I983-E985 VanDerWaalsContact C-N 3.3Å; I983-E985 PolarHBondContact O-N 2.7Å; E985-V987 VanDerWaalsContact C-N 3.33Å; E985-V987 PolarHBondContact O-N 3.45Å; E985-R988 PolarHBondContact O-N 2.83Å; E985-R988 VanDerWaalsContact O-N 3.13Å; E985-R988 IonicContact OE1-NH1 3.11Å; E985-R988 PolarHBondContact OE1-NH1 3.09Å; E985-R988 IonicContact OE2-CZ 3.24Å; E985-R988 IonicContact OE2-NH1 2.67Å; E985-R988 PolarHBondContact OE2-NH1 3.5Å; E985-R988 IonicContact OE2-NH2 2.78Å; E985-Q989 WeakPolarHBondContact O-CG 3.44Å; E985-Q989 PolarHBondContact O-N 2.77Å; E985-Q989 PolarHBondContact OE1-NE2 3.13Å |
| 986 | V | 78.1 | Confident | 70.7 | Confident | 78 Ų | 78 | 115.1 Ų | 115.1 | 47% | 0.473 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | R982 I983 R990 | R982-V986 WeakPolarHBondContact O-CG2 3.49Å; R982-V986 PolarHBondContact O-N 2.75Å; I983-V986 PolarHBondContact O-N 3.09Å; V986-R990 WeakPolarHBondContact O-CB 3.18Å; V986-R990 PolarHBondContact O-N 2.91Å |
| 987 | V | 72.4 | Confident | 69.1 | Low | 75 Ų | 75 | 109.9 Ų | 109.9 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I983 K984 E985 R990 N991 | I983-V987 HydrophobicContact CG2-CG2 4.44Å; I983-V987 WeakPolarHBondContact O-CG2 3.37Å; I983-V987 PolarHBondContact O-N 2.7Å; K984-V987 PolarHBondContact O-N 2.95Å; E985-V987 VanDerWaalsContact C-N 3.33Å; E985-V987 PolarHBondContact O-N 3.45Å; V987-R990 PolarHBondContact O-N 3.46Å; V987-N991 WeakPolarHBondContact O-CB 3.28Å; V987-N991 PolarHBondContact O-N 3.32Å |
| 988 | R | 72.8 | Confident | 67.4 | Low | 120 Ų | 120 | 113.8 Ų | 113.8 | 45% | 0.453 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -45 | 179.6 | -156.4 | -174 | -45.6 | 102.9 | -1.6 | 111.4 | K984 E985 N991 V992 | K984-R988 WeakPolarHBondContact O-CB 3.5Å; K984-R988 PolarHBondContact O-N 2.83Å; E985-R988 PolarHBondContact O-N 2.83Å; E985-R988 VanDerWaalsContact O-N 3.13Å; E985-R988 IonicContact OE1-NH1 3.11Å; E985-R988 PolarHBondContact OE1-NH1 3.09Å; E985-R988 IonicContact OE2-CZ 3.24Å; E985-R988 IonicContact OE2-NH1 2.67Å; E985-R988 PolarHBondContact OE2-NH1 3.5Å; E985-R988 IonicContact OE2-NH2 2.78Å; R988-N991 PolarHBondContact O-N 3.46Å; R988-V992 WeakPolarHBondContact O-CG2 3.3Å; R988-V992 PolarHBondContact O-N 3.33Å |
| 989 | Q | 71.4 | Confident | 65.2 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 52% | 0.523 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.6 | -47 | 175.9 | -68.6 | 178.4 | 16.6 | 0 | 0 | 111.3 | E985 N991 V992 T993 | E985-Q989 WeakPolarHBondContact O-CG 3.44Å; E985-Q989 PolarHBondContact O-N 2.77Å; E985-Q989 PolarHBondContact OE1-NE2 3.13Å; Q989-N991 VanDerWaalsContact C-N 3.32Å; Q989-N991 PolarHBondContact O-N 2.68Å; Q989-V992 PolarHBondContact O-N 2.74Å; Q989-T993 PolarHBondContact O-N 2.67Å; Q989-T993 VanDerWaalsContact O-N 3.1Å; Q989-T993 PolarHBondContact O-OG1 3.27Å; Q989-T993 VanDerWaalsContact O-OG1 3.13Å |
| 990 | R | 69.9 | Low | 63.3 | Low | 200 Ų | 200 | 120.5 Ų | 120.5 | 76% | 0.755 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.4 | -40.5 | 178.1 | -160.5 | 173.2 | -170.2 | 170.6 | 2.2 | 112.5 | V986 V987 T993 A994 | V986-R990 WeakPolarHBondContact O-CB 3.18Å; V986-R990 PolarHBondContact O-N 2.91Å; V987-R990 PolarHBondContact O-N 3.46Å; R990-T993 PolarHBondContact O-N 2.82Å; R990-A994 PolarHBondContact O-N 3.24Å |
| 991 | N | 61.4 | Low | 61.3 | Low | 98 Ų | 98 | 125.1 Ų | 125.1 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.6 | -32.3 | 177.4 | -74.7 | -14.8 | 0 | 0 | 0 | 113.6 | V987 R988 Q989 R995 | V987-N991 WeakPolarHBondContact O-CB 3.28Å; V987-N991 PolarHBondContact O-N 3.32Å; R988-N991 PolarHBondContact O-N 3.46Å; Q989-N991 VanDerWaalsContact C-N 3.32Å; Q989-N991 PolarHBondContact O-N 2.68Å; N991-R995 PolarHBondContact O-N 3Å |
| 992 | V | 64.4 | Low | 59.2 | Low | 95 Ų | 95 | 125.7 Ų | 125.7 | 58% | 0.576 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.6 | -42.1 | 173.5 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | R988 Q989 A994 R995 | R988-V992 WeakPolarHBondContact O-CG2 3.3Å; R988-V992 PolarHBondContact O-N 3.33Å; Q989-V992 PolarHBondContact O-N 2.74Å; V992-A994 VanDerWaalsContact C-N 3.35Å; V992-A994 PolarHBondContact O-N 2.94Å; V992-R995 PolarHBondContact O-N 3.32Å |
| 993 | T | 61.3 | Low | 57 | Low | 107 Ų | 107 | 128.2 Ų | 128.2 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61 | -42.5 | 176.5 | -50.1 | 0 | 0 | 0 | 0 | 111.8 | Q989 R990 R995 R996 | Q989-T993 PolarHBondContact O-N 2.67Å; Q989-T993 VanDerWaalsContact O-N 3.1Å; Q989-T993 PolarHBondContact O-OG1 3.27Å; Q989-T993 VanDerWaalsContact O-OG1 3.13Å; R990-T993 PolarHBondContact O-N 2.82Å; T993-R995 VanDerWaalsContact C-N 3.33Å; T993-R995 PolarHBondContact O-N 2.99Å; T993-R996 PolarHBondContact O-N 3.48Å |
| 994 | A | 53.5 | Low | 55.2 | Low | 70 Ų | 70 | 130.3 Ų | 130.3 | 58% | 0.579 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.7 | -36.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R990 V992 R996 G997 | R990-A994 PolarHBondContact O-N 3.24Å; V992-A994 VanDerWaalsContact C-N 3.35Å; V992-A994 PolarHBondContact O-N 2.94Å; A994-R996 VanDerWaalsContact C-N 3.27Å; A994-R996 PolarHBondContact O-N 3.42Å; A994-G997 PolarHBondContact O-N 3.07Å |
| 995 | R | 50.1 | Low | 53.2 | Low | 224 Ų | 224 | 133.5 Ų | 133.5 | 85% | 0.845 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -9.3 | -175.7 | -79.5 | -173.4 | 172.7 | -169.5 | -1.5 | 115.5 | N991 V992 T993 G997 | N991-R995 PolarHBondContact O-N 3Å; V992-R995 PolarHBondContact O-N 3.32Å; T993-R995 VanDerWaalsContact C-N 3.33Å; T993-R995 PolarHBondContact O-N 2.99Å; R995-G997 VanDerWaalsContact C-N 3.33Å |
| 996 | R | 47.7 | Very low | 51.5 | Low | 235 Ų | 235 | 141.3 Ų | 141.3 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -4.5 | 175 | -78.4 | -172 | 170.1 | -172.6 | -2.6 | 114.5 | T993 A994 | T993-R996 PolarHBondContact O-N 3.48Å; A994-R996 VanDerWaalsContact C-N 3.27Å; A994-R996 PolarHBondContact O-N 3.42Å |
| 997 | G | 46.2 | Very low | 49.4 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -97.1 | -2.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | A994 R995 | A994-G997 PolarHBondContact O-N 3.07Å; R995-G997 VanDerWaalsContact C-N 3.33Å |
| 998 | Q | 41.1 | Very low | 47.5 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -126.5 | 112.4 | -170.3 | -71.9 | -175.8 | -30.9 | 0 | 0 | 113.8 | ||||
| 999 | S | 37.9 | Very low | 45.8 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -72.2 | 133.6 | 174.1 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | I1001 | S999-I1001 PolarHBondContact O-N 2.89Š| ||
| 1000 | Q | 38.5 | Very low | 43.8 | Very low | 197 Ų | 197 | 144 Ų | 144 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -82.5 | 114.5 | -178.5 | -67.2 | 176.8 | -38.5 | 0 | 0 | 111.5 | ||||
| 1001 | I | 35.4 | Very low | 42 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 121.5 | 168.5 | -65 | 177 | 0 | 0 | 0 | 108.7 | S999 | S999-I1001 PolarHBondContact O-N 2.89Š|
| 1002 | A | 35 | Very low | 40.5 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 149 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1003 | K | 35.4 | Very low | 38.8 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 143.1 | 174.4 | -66.9 | -177 | 178.8 | -179.8 | 0 | 110.5 | ||
| 1004 | P | 38 | Very low | 37.3 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 148.6 | -173.6 | 29.9 | -35.5 | 0 | 0 | 0 | 113 | ||
| 1005 | I | 33.4 | Very low | 36 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 128.5 | -176.3 | -59.9 | 172.1 | 0 | 0 | 0 | 110.1 | ||
| 1006 | R | 37 | Very low | 35.1 | Very low | 241 Ų | 241 | 146.9 Ų | 146.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 119.7 | 170.3 | -175.3 | 176 | -179.2 | 172.7 | 0.5 | 109.5 | ||
| 1007 | A | 34 | Very low | 34 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 158.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1008 | G | 32.6 | Very low | 33.2 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 112 | 53 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1009 | H | 38.4 | Very low | 32.4 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | -158.2 | 115.6 | 142.4 | -109 | -66.6 | 0 | 0 | 0 | 111.9 | ||||
| 1010 | A | 29.7 | Very low | 31.9 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 158.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1011 | P | 31.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | -148.3 | 175.4 | 73.2 | 42 | -24.5 | 0 | 0 | 0 | 116.5 | |||||
| 1012 | I | 29.4 | Very low | 30.5 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 65.5 | 101 | 156.8 | -64.7 | 151.6 | 0 | 0 | 0 | 117.3 | ||||
| 1013 | T | 27.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -46.5 | 136.3 | 151 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1014 | N | 30.6 | Very low | 29.7 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -127 | 83.2 | 153 | -113.6 | -14.4 | 0 | 0 | 0 | 109.8 | H1016 | N1014-H1016 PolarHBondContact O-N 2.88Š| ||
| 1015 | L | 26.5 | Very low | 29 | Very low | 154 Ų | 154 | 124 Ų | 124 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 113.2 | 159.3 | -106.8 | 71.1 | 0 | 0 | 0 | 107.5 | ||||
| 1016 | H | 30.5 | Very low | 29 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -145.3 | 82.3 | 155.8 | -106.6 | 63.6 | 0 | 0 | 0 | 108.6 | N1014 | N1014-H1016 PolarHBondContact O-N 2.88Š| ||
| 1017 | G | 25.4 | Very low | 28.5 | Very low | 78 Ų | 78 | 118.2 Ų | 118.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -80.7 | 118.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1018 | V | 29.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -114.9 | 90.9 | 169.6 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | G1020 | V1018-G1020 PolarHBondContact O-N 3.48Š| ||
| 1019 | S | 24.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 104.9 | 163.7 | -55 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1020 | G | 26.3 | Very low | 27.5 | Very low | 59 Ų | 59 | 120.3 Ų | 120.3 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -152.2 | 110.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | V1018 | V1018-G1020 PolarHBondContact O-N 3.48Š| ||
| 1021 | V | 23.8 | Very low | 27.3 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | cis | 61.1 | 111.2 | 45.6 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1022 | G | 22.3 | Very low | 27.3 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 135.2 | 98.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1023 | G | 24.8 | Very low | 27.4 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 88.3 | 151.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1024 | A | 28.1 | Very low | 27.8 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | cis | -156.6 | 141 | -14.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1026 | A1024-I1026 HydrophobicContact CB-CG1 4.35Å; A1024-I1026 PolarHBondContact O-N 2.85Å | ||
| 1025 | S | 23.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -71.5 | 118.5 | 158.6 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1026 | I | 31.9 | Very low | 28.1 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -122.8 | 90.8 | 164.2 | -61.4 | -173.7 | 0 | 0 | 0 | 109.5 | A1024 | A1024-I1026 HydrophobicContact CB-CG1 4.35Å; A1024-I1026 PolarHBondContact O-N 2.85Å | ||
| 1027 | N | 27.5 | Very low | 28.1 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 54.2 | 131 | 136.1 | -74.9 | -6.9 | 0 | 0 | 0 | 123.4 | ||||
| 1028 | S | 28.5 | Very low | 28.5 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | 81.6 | 124.4 | 127.9 | 63.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1029 | Q | 23.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -56.3 | 167.9 | 153.6 | -56.9 | 170.9 | -37.9 | 0 | 0 | 111.1 | V1031 | Q1029-V1031 HydrophobicContact CB-CG2 4.47Š| ||
| 1030 | P | 32.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | -121.1 | 140.9 | 106 | 33.9 | -33.7 | 0 | 0 | 0 | 113.8 | |||||
| 1031 | V | 26 | Very low | 29.6 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 67% | 0.667 | 81% | 0.813 | S | S | * | * | trans | -103.1 | 127.1 | 164.7 | 171.9 | 0 | 0 | 0 | 0 | 108 | Q1029 | Q1029-V1031 HydrophobicContact CB-CG2 4.47Š| ||
| 1032 | V | 30.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | 175.7 | 138.2 | 165 | 137.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1033 | R | 30.8 | Very low | 30.3 | Very low | 224 Ų | 224 | 132.7 Ų | 132.7 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | cis | -155.3 | 165 | -16.8 | -108.1 | 175.7 | -171.3 | -179.4 | 2.2 | 108.4 | ||||
| 1034 | P | 36.4 | Very low | 30.6 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | trans | -91.3 | -177.5 | 177.1 | 39.7 | -36.8 | 0 | 0 | 0 | 113.3 | ||||
| 1035 | D | 27.7 | Very low | 30.8 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | 65.5 | 124 | 159.3 | -52.8 | -38.7 | 0 | 0 | 0 | 119.6 | ||||
| 1036 | L | 36.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | -161.9 | 151.7 | 109.2 | -106.3 | 166 | 0 | 0 | 0 | 113.8 | |||||
| 1037 | L | 31.1 | Very low | 31.2 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 160.3 | -176 | -68.7 | 135.2 | 0 | 0 | 0 | 113.4 | ||||
| 1038 | G | 34 | Very low | 31.5 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -165.4 | 48 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1039 | A | 34.3 | Very low | 31.7 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | trans | -85.4 | 165.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1040 | P | 37.3 | Very low | 32.5 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 100% | 1.305 | 84% | 0.835 | S | S | * | * | -115 | 0 | 92.4 | 34.9 | -35.7 | 0 | 0 | 0 | 114.4 |
Retrieved 1,040 of 1,040 residues in 2581.4 ms
(Link to these results)