| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.2 | Very low | 59.2 | Low | 233 Ų | 233 | 114.9 Ų | 114.9 | 100% | 1.148 | 57% | 0.571 | S | S | * | * | 0 | 156.1 | 0 | -77.8 | 173.7 | 165 | 0 | 0 | 108.4 | |||||
| 2 | S | 30.9 | Very low | 62.1 | Low | 108 Ų | 108 | 105.3 Ų | 105.3 | 76% | 0.755 | 52% | 0.523 | S | S | * | . | trans | 47.1 | 82 | 168.4 | 56.6 | 0 | 0 | 0 | 0 | 118.2 | R4 | S2-R4 PolarHBondContact O-N 3.33Š| ||
| 3 | N | 31.8 | Very low | 64.6 | Low | 171 Ų | 171 | 97.2 Ų | 97.2 | 91% | 0.914 | 48% | 0.483 | S | S | * | . | trans | -69.3 | 82.9 | 155.9 | -80.6 | 18.8 | 0 | 0 | 0 | 109.6 | ||||
| 4 | R | 34.4 | Very low | 66.8 | Low | 215 Ų | 215 | 90.3 Ų | 90.3 | 81% | 0.811 | 45% | 0.449 | S | S | * | . | trans | -142.5 | 63.6 | 169.2 | -74.4 | -167.1 | 178.6 | -178.4 | -0.4 | 109.8 | S2 C6 | S2-R4 PolarHBondContact O-N 3.33Å; R4-C6 PolarHBondContact O-N 3.44Å | ||
| 5 | E | 49 | Very low | 68.7 | Low | 124 Ų | 124 | 85.3 Ų | 85.3 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | trans | -72.1 | 76.7 | 163.7 | -69.3 | 177.3 | 139.7 | 0 | 0 | 108 | ||||
| 6 | C | 57.3 | Low | 70.2 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 60% | 0.595 | 40% | 0.399 | S | S | * | . | trans | -65 | 149.7 | 177.6 | -67 | 0 | 0 | 0 | 0 | 110.8 | R4 Q8 | R4-C6 PolarHBondContact O-N 3.44Å; C6-Q8 PolarHBondContact O-N 2.78Å | ||
| 7 | Q | 66.3 | Low | 71.5 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | trans | -50.5 | 131.6 | 163.8 | -77.9 | 143.7 | -79.7 | 0 | 0 | 109.8 | E353 R355 | Q7-E353 HydrophobicContact CB-CB 4.32Å; Q7-E353 PolarHBondContact NE2-OE2 2.85Å; Q7-R355 HydrophobicContact CG-CG 3.92Å; Q7-R355 VanDerWaalsContact NE2-NH2 3.15Å | ||
| 8 | Q | 81.1 | Confident | 72.5 | Confident | 49 Ų | 49 | 77.9 Ų | 77.9 | 23% | 0.229 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.3 | -179.1 | -175.3 | -175.7 | -25.1 | 0 | 0 | 109.4 | C6 N354 P356 | C6-Q8 PolarHBondContact O-N 2.78Å; Q8-N354 PolarHBondContact N-O 3.48Å; Q8-N354 PolarHBondContact O-N 2.92Å; Q8-P356 HydrophobicContact CB-CG 4.08Å |
| 9 | N | 87.3 | Confident | 73.2 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 144 | 171.7 | -69.1 | 64.1 | 0 | 0 | 0 | 111.8 | R11 K350 I352 | N9-R11 PolarHBondContact O-N 3.31Å; N9-K350 PolarHBondContact ND2-O 2.97Å; N9-K350 VanDerWaalsContact ND2-O 3.07Å; N9-I352 VanDerWaalsContact CA-O 3.31Å; N9-I352 WeakPolarHBondContact CA-O 3.33Å |
| 10 | I | 91.1 | Very high | 73.6 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 125.8 | 169.1 | -64.4 | -172.1 | 0 | 0 | 0 | 109.3 | V12 L317 T323 I325 I352 | I10-V12 HydrophobicContact CG2-CG2 4.2Å; I10-L317 HydrophobicContact CD1-CD2 3.63Å; I10-T323 HydrophobicContact CD1-CG2 3.98Å; I10-T323 HydrophobicContact CG1-CG2 4.27Å; I10-T323 HydrophobicContact CG2-CG2 3.95Å; I10-I325 HydrophobicContact CG2-CD1 3.74Å; I10-I325 HydrophobicContact CG2-CG1 3.85Å; I10-I352 HydrophobicContact CD1-CB 3.78Å; I10-I352 HydrophobicContact CD1-CD1 4.2Å; I10-I352 HydrophobicContact CD1-CG2 3.73Å; I10-I352 HydrophobicContact CG1-CB 4.09Å; I10-I352 HydrophobicContact CG1-CG2 4.17Å; I10-I352 PolarHBondContact N-O 3.43Å |
| 11 | R | 92 | Very high | 73.9 | Confident | 105 Ų | 105 | 79 Ų | 79 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 129.7 | 176.2 | -68.2 | -174.1 | -177.1 | 173.8 | 5.1 | 109.6 | N9 M69 T323 S324 I325 | N9-R11 PolarHBondContact O-N 3.31Å; R11-M69 HydrophobicContact CB-CE 4.49Å; R11-T323 PolarHBondContact N-O 3.24Å; R11-T323 VanDerWaalsContact N-O 3.1Å; R11-S324 CarbonylContact O-C 3.43Å; R11-S324 VanDerWaalsContact O-CA 3.29Å; R11-S324 WeakPolarHBondContact O-CA 3.37Å; R11-I325 PolarHBondContact O-N 2.88Å |
| 12 | V | 93.7 | Very high | 76.1 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.2 | -177.7 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | I10 F52 D53 I325 A346 K350 | I10-V12 HydrophobicContact CG2-CG2 4.2Å; V12-F52 HydrophobicContact CB-CD1 4.24Å; V12-F52 HydrophobicContact CG1-CD1 3.63Å; V12-F52 HydrophobicContact CG1-CE1 4.02Å; V12-D53 PolarHBondContact N-OD2 2.95Å; V12-D53 WeakPolarHBondContact O-CB 3.5Å; V12-D53 PolarHBondContact O-N 2.85Å; V12-I325 WeakPolarHBondContact CA-O 3.37Å; V12-I325 HydrophobicContact CG2-CB 4.33Å; V12-A346 HydrophobicContact CG1-CB 3.83Å; V12-K350 HydrophobicContact CB-CB 4.19Å; V12-K350 HydrophobicContact CG2-CB 3.68Å; V12-K350 HydrophobicContact CG2-CG 4.4Å |
| 13 | A | 94.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | H54 F56 M69 I325 I326 A327 | A13-H54 CarbonylContact C-O 3.56Å; A13-H54 WeakPolarHBondContact CA-O 3.3Å; A13-H54 HydrophobicContact CB-CB 3.92Å; A13-H54 WeakPolarHBondContact CB-O 3.33Å; A13-F56 HydrophobicContact CB-CD2 4.3Å; A13-F56 HydrophobicContact CB-CE2 3.75Å; A13-M69 HydrophobicContact CB-CE 3.73Å; A13-M69 HydrophobicContact CB-CG 3.93Å; A13-M69 HydrophobicContact CB-SD 3.52Å; A13-M69 VanDerWaalsContact CB-SD 3.52Å; A13-I325 PolarHBondContact N-O 3.26Å; A13-I326 CarbonylContact O-C 3.51Å; A13-I326 WeakPolarHBondContact O-CA 3.45Å; A13-A327 PolarHBondContact O-N 3.03Å |
| 14 | V | 95.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.3 | 171.6 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | V39 F52 H54 F56 A327 I329 L343 | V14-V39 HydrophobicContact CB-CG2 4.01Å; V14-V39 HydrophobicContact CG1-CG2 3.91Å; V14-V39 HydrophobicContact CG2-CG2 4.17Å; V14-F52 HydrophobicContact CB-CD2 4.31Å; V14-F52 HydrophobicContact CG2-CB 4.45Å; V14-F52 HydrophobicContact CG2-CD1 4.05Å; V14-F52 HydrophobicContact CG2-CD2 3.38Å; V14-F52 HydrophobicContact CG2-CE1 4.12Å; V14-F52 HydrophobicContact CG2-CE2 3.45Å; V14-F52 VanDerWaalsContact CG2-CE2 3.45Å; V14-F52 HydrophobicContact CG2-CG 3.69Å; V14-F52 HydrophobicContact CG2-CZ 3.83Å; V14-H54 PolarHBondContact N-O 3.43Å; V14-F56 WeakPolarHBondContact O-CD2 3.17Å; V14-F56 PolarHBondContact O-N 2.88Å; V14-A327 CarbonylContact C-O 3.52Å; V14-A327 VanDerWaalsContact CA-O 3.29Å; V14-A327 WeakPolarHBondContact CA-O 3.18Å; V14-A327 HydrophobicContact CG2-CB 4.19Å; V14-I329 HydrophobicContact CG1-CD1 3.54Å; V14-I329 HydrophobicContact CG1-CG1 3.8Å; V14-I329 HydrophobicContact CG1-CG2 4.36Å; V14-L343 HydrophobicContact CG1-CD2 4.14Å; V14-L343 HydrophobicContact CG2-CD2 3.66Å |
| 15 | R | 94.8 | Very high | 83.1 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 6% | 0.06 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 108.3 | 171 | -172.2 | -176.5 | -166.2 | 176.8 | 9.4 | 110.6 | F56 Q62 T98 I326 A327 T328 I329 | R15-F56 HydrophobicContact CB-CB 4.31Å; R15-F56 HydrophobicContact CB-CD2 4.49Å; R15-F56 HydrophobicContact CG-CB 4.1Å; R15-Q62 VanDerWaalsContact CZ-OE1 3.25Å; R15-T98 WeakPolarHBondContact CD-OG1 3.24Å; R15-T98 PolarHBondContact NH1-OG1 3.37Å; R15-I326 HydrophobicContact CB-CG2 4.22Å; R15-A327 PolarHBondContact N-O 2.91Å; R15-T328 HydrophobicContact CB-CG2 4.38Å; R15-T328 WeakPolarHBondContact O-CA 3.06Å; R15-I329 PolarHBondContact O-N 3.01Å |
| 16 | C | 94.1 | Very high | 84.6 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 121.9 | 167.7 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | F56 N57 Q58 I329 | C16-F56 PolarHBondContact N-O 3.18Å; C16-N57 CarbonylContact O-C 3.56Å; C16-Q58 WeakPolarHBondContact O-CA 3.47Å; C16-Q58 PolarHBondContact O-N 3.25Å; C16-I329 HydrophobicContact CB-CD1 4.24Å; C16-I329 HydrophobicContact CB-CG1 3.97Å |
| 17 | R | 92 | Very high | 85.5 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 165.5 | 171.3 | 66.7 | 153.7 | 171.7 | 77.4 | -2.1 | 111.8 | N20 E23 G92 S93 I329 S330 P331 | R17-N20 PolarHBondContact NH2-ND2 3.38Å; R17-E23 IonicContact CZ-OE1 2.75Å; R17-E23 IonicContact CZ-OE2 2.98Å; R17-E23 IonicContact NH1-OE1 2.66Å; R17-E23 PolarHBondContact NH1-OE1 2.69Å; R17-E23 IonicContact NH1-OE2 3.29Å; R17-E23 PolarHBondContact NH1-OE2 3.03Å; R17-E23 IonicContact NH2-OE1 3.33Å; R17-E23 PolarHBondContact NH2-OE1 3.01Å; R17-E23 IonicContact NH2-OE2 3.81Å; R17-E23 PolarHBondContact NH2-OE2 3.03Å; R17-G92 PolarHBondContact NE-O 3.36Å; R17-G92 PolarHBondContact NH2-O 2.96Å; R17-S93 WeakPolarHBondContact CD-O 3.4Å; R17-S93 WeakPolarHBondContact CG-O 3.33Å; R17-I329 PolarHBondContact N-O 2.86Å; R17-S330 PolarHBondContact NH2-OG 3.12Å; R17-P331 WeakPolarHBondContact O-CD 3.28Å; R17-P331 WeakPolarHBondContact O-CG 3.3Å |
| 18 | P | 88.4 | Confident | 86 | Confident | 80 Ų | 80 | 61.2 Ų | 61.2 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -59 | 153.6 | 163 | -19 | 30.2 | 0 | 0 | 0 | 112.4 | N20 | P18-N20 PolarHBondContact O-N 2.96Š|
| 19 | T | 85.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 128.8 | 162.8 | -47.9 | 0 | 0 | 0 | 0 | 109.3 | E23 L24 | T19-E23 WeakPolarHBondContact CA-OE2 3.47Å; T19-E23 HydrophobicContact CG2-CB 3.44Å; T19-E23 VanDerWaalsContact CG2-CB 3.44Å; T19-L24 HydrophobicContact CG2-CD2 4.42Å; T19-L24 HydrophobicContact CG2-CG 3.96Å |
| 20 | N | 82.4 | Confident | 86 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 169.8 | -176.4 | 76.8 | 46.6 | 0 | 0 | 0 | 111.8 | R17 P18 Q22 E23 L24 | R17-N20 PolarHBondContact NH2-ND2 3.38Å; P18-N20 PolarHBondContact O-N 2.96Å; N20-Q22 PolarHBondContact O-N 2.75Å; N20-Q22 WeakPolarHBondContact OD1-CA 3.37Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.36Å; N20-Q22 PolarHBondContact OD1-N 3.34Å; N20-E23 PolarHBondContact N-OE2 2.88Å; N20-E23 PolarHBondContact ND2-OE1 3.02Å; N20-E23 PolarHBondContact ND2-OE2 2.79Å; N20-E23 PolarHBondContact O-N 3.36Å; N20-E23 PolarHBondContact OD1-N 2.85Å; N20-L24 WeakPolarHBondContact O-CG 3.28Å; N20-L24 PolarHBondContact O-N 3.29Å |
| 21 | K | 79.3 | Confident | 85.9 | Confident | 165 Ų | 165 | 67.6 Ų | 67.6 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.3 | -44.8 | -177.9 | -67.9 | -174.4 | -179.5 | 178.9 | 0 | 113 | E23 L24 E25 | K21-E23 VanDerWaalsContact C-N 3.34Å; K21-E23 PolarHBondContact O-N 2.87Å; K21-L24 WeakPolarHBondContact O-CB 3.33Å; K21-L24 PolarHBondContact O-N 3.43Å; K21-E25 WeakPolarHBondContact O-CB 3.32Å; K21-E25 VanDerWaalsContact O-CD 3.25Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.28Å |
| 22 | Q | 76.7 | Confident | 85.7 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.5 | -34 | -179.7 | -60.5 | 179.3 | -5.4 | 0 | 0 | 112.4 | N20 K26 | N20-Q22 PolarHBondContact O-N 2.75Å; N20-Q22 WeakPolarHBondContact OD1-CA 3.37Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.36Å; N20-Q22 PolarHBondContact OD1-N 3.34Å; Q22-K26 VanDerWaalsContact O-CB 3.24Å; Q22-K26 WeakPolarHBondContact O-CB 3.28Å; Q22-K26 WeakPolarHBondContact O-CG 3.5Å; Q22-K26 PolarHBondContact O-N 2.91Å |
| 23 | E | 83.2 | Confident | 85.5 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.075 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.5 | -37.9 | 175.1 | -70.2 | 164.1 | 169.6 | 0 | 0 | 111.6 | R17 T19 N20 K21 G27 V28 S330 A332 | R17-E23 IonicContact CZ-OE1 2.75Å; R17-E23 IonicContact CZ-OE2 2.98Å; R17-E23 IonicContact NH1-OE1 2.66Å; R17-E23 PolarHBondContact NH1-OE1 2.69Å; R17-E23 IonicContact NH1-OE2 3.29Å; R17-E23 PolarHBondContact NH1-OE2 3.03Å; R17-E23 IonicContact NH2-OE1 3.33Å; R17-E23 PolarHBondContact NH2-OE1 3.01Å; R17-E23 IonicContact NH2-OE2 3.81Å; R17-E23 PolarHBondContact NH2-OE2 3.03Å; T19-E23 WeakPolarHBondContact CA-OE2 3.47Å; T19-E23 HydrophobicContact CG2-CB 3.44Å; T19-E23 VanDerWaalsContact CG2-CB 3.44Å; N20-E23 PolarHBondContact N-OE2 2.88Å; N20-E23 PolarHBondContact ND2-OE1 3.02Å; N20-E23 PolarHBondContact ND2-OE2 2.79Å; N20-E23 PolarHBondContact O-N 3.36Å; N20-E23 PolarHBondContact OD1-N 2.85Å; K21-E23 VanDerWaalsContact C-N 3.34Å; K21-E23 PolarHBondContact O-N 2.87Å; E23-G27 PolarHBondContact O-N 3.24Å; E23-V28 HydrophobicContact CB-CB 4.35Å; E23-V28 HydrophobicContact CB-CG2 4.5Å; E23-V28 PolarHBondContact O-N 2.93Å; E23-S330 PolarHBondContact OE1-OG 2.95Å; E23-A332 VanDerWaalsContact CD-CB 3.5Å; E23-A332 HydrophobicContact CG-CB 3.96Å; E23-A332 WeakPolarHBondContact OE1-CB 3.42Å |
| 24 | L | 80.2 | Confident | 85.2 | Confident | 118 Ų | 118 | 69.9 Ų | 69.9 | 62% | 0.618 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.9 | -48.1 | 171.9 | -77.3 | 159.1 | 0 | 0 | 0 | 111.5 | T19 N20 K21 K26 G27 | T19-L24 HydrophobicContact CG2-CD2 4.42Å; T19-L24 HydrophobicContact CG2-CG 3.96Å; N20-L24 WeakPolarHBondContact O-CG 3.28Å; N20-L24 PolarHBondContact O-N 3.29Å; K21-L24 WeakPolarHBondContact O-CB 3.33Å; K21-L24 PolarHBondContact O-N 3.43Å; L24-K26 VanDerWaalsContact C-N 3.32Å; L24-K26 PolarHBondContact O-N 2.79Å; L24-G27 PolarHBondContact O-N 2.9Å |
| 25 | E | 80.4 | Confident | 84.8 | Confident | 150 Ų | 150 | 73.6 Ų | 73.6 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62 | -37 | 177.9 | -73.4 | 156.2 | -167.5 | 0 | 0 | 112.2 | K21 G27 | K21-E25 WeakPolarHBondContact O-CB 3.32Å; K21-E25 VanDerWaalsContact O-CD 3.25Å; K21-E25 WeakPolarHBondContact O-CG 3.44Å; K21-E25 PolarHBondContact O-N 3.28Å; E25-G27 VanDerWaalsContact C-N 3.27Å; E25-G27 PolarHBondContact O-N 2.89Å |
| 26 | K | 79.5 | Confident | 84.2 | Confident | 161 Ų | 161 | 83.1 Ų | 83.1 | 70% | 0.7 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.5 | 173.6 | -69.7 | 173.9 | -179.5 | -179.2 | 0 | 113.9 | Q22 L24 V28 | Q22-K26 VanDerWaalsContact O-CB 3.24Å; Q22-K26 WeakPolarHBondContact O-CB 3.28Å; Q22-K26 WeakPolarHBondContact O-CG 3.5Å; Q22-K26 PolarHBondContact O-N 2.91Å; L24-K26 VanDerWaalsContact C-N 3.32Å; L24-K26 PolarHBondContact O-N 2.79Å; K26-V28 VanDerWaalsContact C-N 3.26Å; K26-V28 HydrophobicContact CB-CG2 3.83Å; K26-V28 PolarHBondContact O-N 3.45Å |
| 27 | G | 76.1 | Confident | 83.9 | Confident | 57 Ų | 57 | 88.6 Ų | 88.6 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 26.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E23 L24 E25 R29 | E23-G27 PolarHBondContact O-N 3.24Å; L24-G27 PolarHBondContact O-N 2.9Å; E25-G27 VanDerWaalsContact C-N 3.27Å; E25-G27 PolarHBondContact O-N 2.89Å; G27-R29 PolarHBondContact O-N 3.34Å |
| 28 | V | 78 | Confident | 83.8 | Confident | 31 Ų | 31 | 92.1 Ų | 92.1 | 19% | 0.188 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 125.4 | -173.1 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | E23 K26 A332 M333 T334 | E23-V28 HydrophobicContact CB-CB 4.35Å; E23-V28 HydrophobicContact CB-CG2 4.5Å; E23-V28 PolarHBondContact O-N 2.93Å; K26-V28 VanDerWaalsContact C-N 3.26Å; K26-V28 HydrophobicContact CB-CG2 3.83Å; K26-V28 PolarHBondContact O-N 3.45Å; V28-A332 HydrophobicContact CG1-CB 3.87Å; V28-M333 HydrophobicContact CG1-CB 4.23Å; V28-T334 HydrophobicContact CG1-CG2 4.06Å; V28-T334 HydrophobicContact CG2-CG2 4.31Å |
| 29 | R | 83.3 | Confident | 84 | Confident | 199 Ų | 199 | 88.3 Ų | 88.3 | 75% | 0.751 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 149.1 | 178.1 | -59.9 | -177.1 | -176.5 | -170.4 | -0 | 111 | G27 M333 | G27-R29 PolarHBondContact O-N 3.34Å; R29-M333 WeakPolarHBondContact O-CB 3.5Å; R29-M333 PolarHBondContact O-N 2.83Å |
| 30 | S | 85.6 | Confident | 84.2 | Confident | 57 Ų | 57 | 87.6 Ų | 87.6 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -70.6 | 140.4 | 164.2 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | V32 P331 | S30-V32 PolarHBondContact OG-N 2.95Å; S30-V32 PolarHBondContact OG-O 3.39Å; S30-V32 VanDerWaalsContact OG-O 3.09Å; S30-P331 CarbonylContact C-O 3.58Å; S30-P331 VanDerWaalsContact CA-O 3.28Å; S30-P331 WeakPolarHBondContact CA-O 3.15Å; S30-P331 PolarHBondContact OG-O 3.28Å |
| 31 | C | 87.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 85.1 Ų | 85.1 | 3% | 0.034 | 42% | 0.415 | C | S | . | . | trans | -105.8 | -6.2 | 169.2 | 66.4 | 0 | 0 | 0 | 0 | 113 | V41 R42 P331 M333 L336 | C31-V41 WeakPolarHBondContact O-CA 3.36Å; C31-R42 PolarHBondContact O-N 3.47Å; C31-P331 PolarHBondContact N-O 3Å; C31-P331 PolarHBondContact SG-O 3.24Å; C31-M333 HydrophobicContact CB-CB 4.47Å; C31-M333 HydrophobicContact CB-CE 3.53Å; C31-M333 HydrophobicContact CB-SD 3.61Å; C31-L336 HydrophobicContact CB-CD1 4.13Å | ||
| 32 | V | 89 | Confident | 84.8 | Confident | 18 Ų | 18 | 82.7 Ų | 82.7 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.3 | -172.4 | -168.8 | 0 | 0 | 0 | 0 | 111.4 | S30 V39 I329 T339 | S30-V32 PolarHBondContact OG-N 2.95Å; S30-V32 PolarHBondContact OG-O 3.39Å; S30-V32 VanDerWaalsContact OG-O 3.09Å; V32-V39 HydrophobicContact CG1-CG1 3.6Å; V32-I329 HydrophobicContact CG1-CD1 4Å; V32-I329 HydrophobicContact CG2-CD1 4.41Å; V32-T339 HydrophobicContact CG2-CG2 3.98Å |
| 33 | E | 88.5 | Confident | 85 | Confident | 103 Ų | 103 | 79.7 Ų | 79.7 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.6 | 168.1 | -170.2 | -179.4 | 117.3 | 0 | 0 | 109.5 | T40 R42 | E33-T40 PolarHBondContact N-O 3.32Å; E33-T40 PolarHBondContact O-N 3.35Å; E33-R42 VanDerWaalsContact CD-NH2 3.26Å; E33-R42 IonicContact OE1-NH2 3.01Å; E33-R42 PolarHBondContact OE1-NH2 2.96Å; E33-R42 IonicContact OE2-CZ 2.72Å; E33-R42 IonicContact OE2-NH1 2.63Å; E33-R42 PolarHBondContact OE2-NH1 2.83Å; E33-R42 IonicContact OE2-NH2 3.15Å; E33-R42 PolarHBondContact OE2-NH2 3.36Å |
| 34 | C | 88.2 | Confident | 84.5 | Confident | 32 Ų | 32 | 88.9 Ų | 88.9 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.8 | -175 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | V55 N57 | C34-V55 HydrophobicContact CB-CG1 3.83Å; C34-N57 HydrophobicContact CB-CB 3.8Å |
| 35 | S | 86.7 | Confident | 84.1 | Confident | 78 Ų | 78 | 87.9 Ų | 87.9 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 166.1 | 163.4 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | E37 K38 V55 | S35-E37 PolarHBondContact O-N 2.79Å; S35-K38 PolarHBondContact N-O 2.83Å; S35-K38 PolarHBondContact O-N 2.89Å; S35-K38 VanDerWaalsContact O-O 3.09Å; S35-V55 VanDerWaalsContact O-CB 3.31Å; S35-V55 WeakPolarHBondContact O-CB 3.26Å; S35-V55 WeakPolarHBondContact O-CG1 3.4Å |
| 36 | R | 82.5 | Confident | 83.8 | Confident | 215 Ų | 215 | 86.5 Ų | 86.5 | 81% | 0.811 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.3 | -37.9 | -164.8 | -69.8 | -175.4 | 175.6 | -175.9 | -1.6 | 116.4 | V55 | R36-V55 WeakPolarHBondContact O-CB 3.3Å; R36-V55 PolarHBondContact O-N 3.47Å |
| 37 | E | 88.1 | Confident | 84.1 | Confident | 122 Ų | 122 | 82.3 Ų | 82.3 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -1.2 | -177.3 | -67.2 | 160.6 | -157.3 | 0 | 0 | 112.3 | S35 T51 F52 V55 | S35-E37 PolarHBondContact O-N 2.79Å; E37-T51 WeakPolarHBondContact O-CA 3.42Å; E37-F52 PolarHBondContact O-N 3.28Å; E37-V55 VanDerWaalsContact C-CG2 3.49Å |
| 38 | K | 90.5 | Very high | 84.7 | Confident | 110 Ų | 110 | 83.4 Ų | 83.4 | 48% | 0.478 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.2 | -167.9 | -71.3 | -177.4 | -179.3 | -179 | 0 | 112.2 | S35 F50 T51 | S35-K38 PolarHBondContact N-O 2.83Å; S35-K38 PolarHBondContact O-N 2.89Å; S35-K38 VanDerWaalsContact O-O 3.09Å; K38-F50 WeakPolarHBondContact CA-O 3.45Å; K38-T51 HydrophobicContact CG-CG2 3.92Å |
| 39 | V | 91.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.4 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | V14 V32 V41 V49 F50 F52 V55 I329 L343 | V14-V39 HydrophobicContact CB-CG2 4.01Å; V14-V39 HydrophobicContact CG1-CG2 3.91Å; V14-V39 HydrophobicContact CG2-CG2 4.17Å; V32-V39 HydrophobicContact CG1-CG1 3.6Å; V39-V41 HydrophobicContact CG1-CG2 4.13Å; V39-V49 WeakPolarHBondContact O-CA 3.39Å; V39-F50 PolarHBondContact N-O 2.86Å; V39-F50 PolarHBondContact O-N 3.23Å; V39-F52 HydrophobicContact CB-CE2 4.4Å; V39-F52 HydrophobicContact CG2-CD2 3.94Å; V39-F52 HydrophobicContact CG2-CE2 4.05Å; V39-V55 HydrophobicContact CG2-CB 4.39Å; V39-V55 HydrophobicContact CG2-CG1 3.63Å; V39-V55 HydrophobicContact CG2-CG2 3.77Å; V39-I329 HydrophobicContact CG1-CD1 4.17Å; V39-L343 HydrophobicContact CB-CD2 4.3Å; V39-L343 HydrophobicContact CG1-CD1 3.93Å; V39-L343 HydrophobicContact CG1-CD2 4.09Å; V39-L343 HydrophobicContact CG2-CD2 4.28Å |
| 40 | T | 91.2 | Very high | 85.7 | Confident | 21 Ų | 21 | 77 Ų | 77 | 13% | 0.129 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120 | 173.3 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | E33 R42 K48 V49 | E33-T40 PolarHBondContact N-O 3.32Å; E33-T40 PolarHBondContact O-N 3.35Å; T40-R42 HydrophobicContact CG2-CG 3.95Å; T40-K48 WeakPolarHBondContact CA-O 3.44Å; T40-V49 HydrophobicContact CG2-CG2 4.04Å |
| 41 | V | 90.6 | Very high | 86 | Confident | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.5 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | C31 V39 S47 K48 F50 L336 T339 L340 L343 | C31-V41 WeakPolarHBondContact O-CA 3.36Å; V39-V41 HydrophobicContact CG1-CG2 4.13Å; V41-S47 CarbonylContact O-C 3.57Å; V41-S47 WeakPolarHBondContact O-CA 3.32Å; V41-K48 PolarHBondContact N-O 2.85Å; V41-K48 PolarHBondContact O-N 2.8Å; V41-F50 HydrophobicContact CG2-CE2 4.48Å; V41-L336 HydrophobicContact CG1-CD1 3.33Å; V41-T339 HydrophobicContact CG2-CG2 4.48Å; V41-L340 HydrophobicContact CB-CD2 3.96Å; V41-L340 HydrophobicContact CG1-CD2 3.81Å; V41-L340 HydrophobicContact CG1-CG 4.18Å; V41-L340 HydrophobicContact CG2-CD2 4.14Å; V41-L343 HydrophobicContact CG2-CD1 3.49Å; V41-L343 VanDerWaalsContact CG2-CD1 3.49Å |
| 42 | R | 84.2 | Confident | 86.3 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.9 | -178.8 | -53.7 | -166.6 | -166.5 | 104.8 | 3.5 | 111.8 | C31 E33 T40 | C31-R42 PolarHBondContact O-N 3.47Å; E33-R42 VanDerWaalsContact CD-NH2 3.26Å; E33-R42 IonicContact OE1-NH2 3.01Å; E33-R42 PolarHBondContact OE1-NH2 2.96Å; E33-R42 IonicContact OE2-CZ 2.72Å; E33-R42 IonicContact OE2-NH1 2.63Å; E33-R42 PolarHBondContact OE2-NH1 2.83Å; E33-R42 IonicContact OE2-NH2 3.15Å; E33-R42 PolarHBondContact OE2-NH2 3.36Å; T40-R42 HydrophobicContact CG2-CG 3.95Å |
| 43 | D | 80.1 | Confident | 86.4 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 34% | 0.337 | 40% | 0.398 | S | S | . | . | trans | -111.6 | 174.5 | 159 | 175.5 | 50.2 | 0 | 0 | 0 | 109.6 | S45 M46 L336 | D43-S45 PolarHBondContact O-N 3.04Å; D43-S45 PolarHBondContact OD2-N 3.26Å; D43-S45 VanDerWaalsContact OD2-N 3.09Å; D43-S45 PolarHBondContact OD2-OG 2.92Å; D43-S45 VanDerWaalsContact OD2-OG 3.07Å; D43-M46 PolarHBondContact N-O 3.26Å; D43-L336 HydrophobicContact CB-CD2 3.93Å | ||
| 44 | K | 72.3 | Confident | 86.6 | Confident | 208 Ų | 208 | 77.8 Ų | 77.8 | 90% | 0.904 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -54.5 | -29.3 | 170.2 | -60.1 | 176.4 | -175 | 171.7 | 0 | 113.8 | ||
| 45 | S | 72.9 | Confident | 86.9 | Confident | 98 Ų | 98 | 77 Ų | 77 | 69% | 0.685 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -107.2 | -23.6 | -176.1 | 68.5 | 0 | 0 | 0 | 0 | 115.2 | D43 | D43-S45 PolarHBondContact O-N 3.04Å; D43-S45 PolarHBondContact OD2-N 3.26Å; D43-S45 VanDerWaalsContact OD2-N 3.09Å; D43-S45 PolarHBondContact OD2-OG 2.92Å; D43-S45 VanDerWaalsContact OD2-OG 3.07Å |
| 46 | M | 74 | Confident | 87.3 | Confident | 120 Ų | 120 | 73.9 Ų | 73.9 | 59% | 0.591 | 36% | 0.361 | S | S | * | . | trans | -141.8 | 151.5 | -172.9 | -66.5 | -157.7 | -60.2 | 0 | 0 | 113.8 | D43 | D43-M46 PolarHBondContact N-O 3.26Š| ||
| 47 | S | 84.8 | Confident | 87.7 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 51% | 0.51 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 102.8 | 171.2 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | V41 | V41-S47 CarbonylContact O-C 3.57Å; V41-S47 WeakPolarHBondContact O-CA 3.32Å |
| 48 | K | 89.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 35% | 0.348 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 142.5 | 171.5 | -82.1 | -166.2 | 177.1 | -171.2 | 0 | 110 | T40 V41 F50 L340 D344 | T40-K48 WeakPolarHBondContact CA-O 3.44Å; V41-K48 PolarHBondContact N-O 2.85Å; V41-K48 PolarHBondContact O-N 2.8Å; K48-F50 HydrophobicContact CB-CD2 4.41Å; K48-F50 HydrophobicContact CB-CE2 3.79Å; K48-F50 HydrophobicContact CB-CZ 4.33Å; K48-F50 HydrophobicContact CD-CE2 3.9Å; K48-F50 HydrophobicContact CD-CZ 3.61Å; K48-L340 HydrophobicContact CB-CD2 4.48Å; K48-L340 HydrophobicContact CD-CD2 3.98Å; K48-D344 IonicContact NZ-OD1 3.44Å; K48-D344 PolarHBondContact NZ-OD1 3.02Å; K48-D344 IonicContact NZ-OD2 3Å; K48-D344 PolarHBondContact NZ-OD2 2.87Å |
| 49 | V | 90.5 | Very high | 87.7 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.8 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 109 | V39 T40 | V39-V49 WeakPolarHBondContact O-CA 3.39Å; T40-V49 HydrophobicContact CG2-CG2 4.04Å |
| 50 | F | 91.7 | Very high | 87.6 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.053 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148 | 179.6 | -62.5 | -90.5 | 0 | 0 | 0 | 111.1 | K38 V39 V41 K48 F52 L340 L343 D344 H347 | K38-F50 WeakPolarHBondContact CA-O 3.45Å; V39-F50 PolarHBondContact N-O 2.86Å; V39-F50 PolarHBondContact O-N 3.23Å; V41-F50 HydrophobicContact CG2-CE2 4.48Å; K48-F50 HydrophobicContact CB-CD2 4.41Å; K48-F50 HydrophobicContact CB-CE2 3.79Å; K48-F50 HydrophobicContact CB-CZ 4.33Å; K48-F50 HydrophobicContact CD-CE2 3.9Å; K48-F50 HydrophobicContact CD-CZ 3.61Å; F50-F52 HydrophobicContact CB-CD2 4.23Å; F50-F52 HydrophobicContact CB-CE2 3.35Å; F50-F52 HydrophobicContact CB-CZ 3.81Å; F50-F52 HydrophobicContact CD1-CZ 4.47Å; F50-F52 HydrophobicContact CG-CE2 4.25Å; F50-F52 HydrophobicContact CG-CZ 4.37Å; F50-L340 HydrophobicContact CE2-CD2 3.95Å; F50-L340 HydrophobicContact CZ-CD2 4.29Å; F50-L343 HydrophobicContact CD1-CB 4.25Å; F50-L343 HydrophobicContact CD2-CB 3.97Å; F50-L343 HydrophobicContact CD2-CD1 3.98Å; F50-L343 HydrophobicContact CD2-CG 4.44Å; F50-L343 HydrophobicContact CE1-CB 4.06Å; F50-L343 HydrophobicContact CE2-CB 3.77Å; F50-L343 HydrophobicContact CE2-CD1 3.95Å; F50-L343 HydrophobicContact CE2-CG 4.47Å; F50-L343 HydrophobicContact CG-CB 4.2Å; F50-L343 HydrophobicContact CZ-CB 3.8Å; F50-D344 VanDerWaalsContact CE1-OD1 3.23Å; F50-D344 WeakPolarHBondContact CE1-OD1 3.41Å; F50-D344 WeakPolarHBondContact CZ-OD1 3.28Å; F50-H347 HydrophobicContact CD1-CB 4.18Å |
| 51 | T | 92.1 | Very high | 87.5 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 40% | 0.399 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.1 | 178.1 | 41.8 | 0 | 0 | 0 | 0 | 112.1 | E37 K38 | E37-T51 WeakPolarHBondContact O-CA 3.42Å; K38-T51 HydrophobicContact CG-CG2 3.92Å |
| 52 | F | 93.7 | Very high | 87.5 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | trans | -134.3 | 166.8 | -177.6 | -61.8 | -74.8 | 0 | 0 | 0 | 110.5 | V12 V14 E37 V39 F50 V55 L343 A346 H347 | V12-F52 HydrophobicContact CB-CD1 4.24Å; V12-F52 HydrophobicContact CG1-CD1 3.63Å; V12-F52 HydrophobicContact CG1-CE1 4.02Å; V14-F52 HydrophobicContact CB-CD2 4.31Å; V14-F52 HydrophobicContact CG2-CB 4.45Å; V14-F52 HydrophobicContact CG2-CD1 4.05Å; V14-F52 HydrophobicContact CG2-CD2 3.38Å; V14-F52 HydrophobicContact CG2-CE1 4.12Å; V14-F52 HydrophobicContact CG2-CE2 3.45Å; V14-F52 VanDerWaalsContact CG2-CE2 3.45Å; V14-F52 HydrophobicContact CG2-CG 3.69Å; V14-F52 HydrophobicContact CG2-CZ 3.83Å; E37-F52 PolarHBondContact O-N 3.28Å; V39-F52 HydrophobicContact CB-CE2 4.4Å; V39-F52 HydrophobicContact CG2-CD2 3.94Å; V39-F52 HydrophobicContact CG2-CE2 4.05Å; F50-F52 HydrophobicContact CB-CD2 4.23Å; F50-F52 HydrophobicContact CB-CE2 3.35Å; F50-F52 HydrophobicContact CB-CZ 3.81Å; F50-F52 HydrophobicContact CD1-CZ 4.47Å; F50-F52 HydrophobicContact CG-CE2 4.25Å; F50-F52 HydrophobicContact CG-CZ 4.37Å; F52-V55 HydrophobicContact CB-CG2 4.06Å; F52-V55 HydrophobicContact CD2-CG2 4.26Å; F52-L343 HydrophobicContact CE2-CD2 3.57Å; F52-L343 HydrophobicContact CZ-CB 4.45Å; F52-L343 HydrophobicContact CZ-CD2 3.75Å; F52-A346 HydrophobicContact CE1-CB 3.72Å; F52-A346 HydrophobicContact CZ-CB 4.21Å; F52-H347 HydrophobicContact CE1-CB 4.26Å; F52-H347 HydrophobicContact CZ-CB 4.38Å | ||
| 53 | D | 91.8 | Very high | 87.7 | Confident | 56 Ų | 56 | 70 Ų | 70 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -71.8 | -36.5 | -176.3 | -53.8 | -49.2 | 0 | 0 | 0 | 111.2 | V12 K350 | V12-D53 PolarHBondContact N-OD2 2.95Å; V12-D53 WeakPolarHBondContact O-CB 3.5Å; V12-D53 PolarHBondContact O-N 2.85Å; D53-K350 VanDerWaalsContact OD1-CE 3.24Å; D53-K350 WeakPolarHBondContact OD1-CE 3.49Å; D53-K350 IonicContact OD1-NZ 3.14Å; D53-K350 PolarHBondContact OD1-NZ 2.76Å; D53-K350 IonicContact OD2-NZ 3.75Å |
| 54 | H | 92.4 | Very high | 88.2 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144.5 | 167.4 | -61.9 | -45.4 | 0 | 0 | 0 | 111.4 | A13 V14 F56 | A13-H54 CarbonylContact C-O 3.56Å; A13-H54 WeakPolarHBondContact CA-O 3.3Å; A13-H54 HydrophobicContact CB-CB 3.92Å; A13-H54 WeakPolarHBondContact CB-O 3.33Å; V14-H54 PolarHBondContact N-O 3.43Å; H54-F56 HydrophobicContact CB-CE2 3.99Å; H54-F56 HydrophobicContact CB-CZ 3.9Å |
| 55 | V | 94.5 | Very high | 89.1 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 107.6 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | C34 S35 R36 E37 V39 F52 | C34-V55 HydrophobicContact CB-CG1 3.83Å; S35-V55 VanDerWaalsContact O-CB 3.31Å; S35-V55 WeakPolarHBondContact O-CB 3.26Å; S35-V55 WeakPolarHBondContact O-CG1 3.4Å; R36-V55 WeakPolarHBondContact O-CB 3.3Å; R36-V55 PolarHBondContact O-N 3.47Å; E37-V55 VanDerWaalsContact C-CG2 3.49Å; V39-V55 HydrophobicContact CG2-CB 4.39Å; V39-V55 HydrophobicContact CG2-CG1 3.63Å; V39-V55 HydrophobicContact CG2-CG2 3.77Å; F52-V55 HydrophobicContact CB-CG2 4.06Å; F52-V55 HydrophobicContact CD2-CG2 4.26Å |
| 56 | F | 93.7 | Very high | 90 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.3 | 174.8 | -54.5 | -74 | 0 | 0 | 0 | 109.3 | A13 V14 R15 C16 H54 V65 M69 | A13-F56 HydrophobicContact CB-CD2 4.3Å; A13-F56 HydrophobicContact CB-CE2 3.75Å; V14-F56 WeakPolarHBondContact O-CD2 3.17Å; V14-F56 PolarHBondContact O-N 2.88Å; R15-F56 HydrophobicContact CB-CB 4.31Å; R15-F56 HydrophobicContact CB-CD2 4.49Å; R15-F56 HydrophobicContact CG-CB 4.1Å; C16-F56 PolarHBondContact N-O 3.18Å; H54-F56 HydrophobicContact CB-CE2 3.99Å; H54-F56 HydrophobicContact CB-CZ 3.9Å; F56-V65 HydrophobicContact CB-CG2 4.32Å; F56-V65 HydrophobicContact CD1-CG2 3.96Å; F56-V65 HydrophobicContact CD2-CG1 4.38Å; F56-V65 HydrophobicContact CD2-CG2 3.95Å; F56-V65 HydrophobicContact CE1-CG2 4.27Å; F56-V65 HydrophobicContact CE2-CB 4.39Å; F56-V65 HydrophobicContact CE2-CG1 4.07Å; F56-V65 HydrophobicContact CE2-CG2 4.25Å; F56-V65 HydrophobicContact CG-CG2 3.8Å; F56-V65 HydrophobicContact CZ-CB 4.38Å; F56-V65 HydrophobicContact CZ-CG1 4.43Å; F56-V65 HydrophobicContact CZ-CG2 4.42Å; F56-M69 HydrophobicContact CE2-CG 3.97Å; F56-M69 HydrophobicContact CZ-CG 4.11Å |
| 57 | N | 90.8 | Very high | 90.8 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -80.8 | 175.9 | 177.8 | 69 | 19.9 | 0 | 0 | 0 | 111.8 | C16 C34 Y59 S60 | C16-N57 CarbonylContact O-C 3.56Å; C34-N57 HydrophobicContact CB-CB 3.8Å; N57-Y59 PolarHBondContact O-N 2.89Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.49Å; N57-Y59 PolarHBondContact OD1-N 2.81Å; N57-S60 PolarHBondContact N-OG 3.45Å; N57-S60 VanDerWaalsContact N-OG 3.08Å; N57-S60 VanDerWaalsContact O-CB 3.28Å; N57-S60 WeakPolarHBondContact O-CB 3.35Å; N57-S60 PolarHBondContact O-N 2.9Å; N57-S60 PolarHBondContact O-OG 3.25Å; N57-S60 VanDerWaalsContact O-OG 3.09Å; N57-S60 PolarHBondContact OD1-N 3.22Å; N57-S60 PolarHBondContact OD1-OG 2.93Å | ||
| 58 | Q | 89.5 | Confident | 91.1 | Very high | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -7.5 | 179.2 | 69.6 | -175.6 | 23.7 | 0 | 0 | 116.3 | C16 | C16-Q58 WeakPolarHBondContact O-CA 3.47Å; C16-Q58 PolarHBondContact O-N 3.25Å |
| 59 | Y | 89.4 | Confident | 91.1 | Very high | 177 Ų | 177 | 51.4 Ų | 51.4 | 69% | 0.694 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -1.4 | 177 | -51.3 | -67.6 | 0 | 0 | 0 | 113 | N57 | N57-Y59 PolarHBondContact O-N 2.89Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.49Å; N57-Y59 PolarHBondContact OD1-N 2.81Å |
| 60 | S | 89.8 | Confident | 91.1 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | trans | -82.3 | 124.4 | -173.2 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | N57 | N57-S60 PolarHBondContact N-OG 3.45Å; N57-S60 VanDerWaalsContact N-OG 3.08Å; N57-S60 VanDerWaalsContact O-CB 3.28Å; N57-S60 WeakPolarHBondContact O-CB 3.35Å; N57-S60 PolarHBondContact O-N 2.9Å; N57-S60 PolarHBondContact O-OG 3.25Å; N57-S60 VanDerWaalsContact O-OG 3.09Å; N57-S60 PolarHBondContact OD1-N 3.22Å; N57-S60 PolarHBondContact OD1-OG 2.93Å | ||
| 61 | K | 89.9 | Confident | 91.1 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | trans | -80.1 | 167.6 | -175.5 | -59.9 | 178.1 | -179.1 | 178.6 | 0 | 111.9 | I63 D64 V65 | K61-I63 VanDerWaalsContact C-N 3.27Å; K61-I63 HydrophobicContact CB-CG2 4.07Å; K61-I63 PolarHBondContact O-N 3.41Å; K61-D64 WeakPolarHBondContact CB-OD2 3.15Å; K61-D64 PolarHBondContact N-OD2 2.86Å; K61-D64 PolarHBondContact O-N 3.31Å; K61-V65 PolarHBondContact O-N 3.09Å | ||
| 62 | Q | 89.9 | Confident | 91 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.9 | -43.6 | 174.3 | -62 | -72.9 | 60.3 | 0 | 0 | 112.5 | R15 D64 V65 Y66 F97 P115 L116 A117 | R15-Q62 VanDerWaalsContact CZ-OE1 3.25Å; Q62-D64 VanDerWaalsContact C-N 3.31Å; Q62-D64 PolarHBondContact O-N 3.31Å; Q62-V65 PolarHBondContact O-N 3.43Å; Q62-Y66 WeakPolarHBondContact O-CB 3.26Å; Q62-Y66 PolarHBondContact O-N 2.96Å; Q62-F97 HydrophobicContact CG-CE1 4.29Å; Q62-F97 HydrophobicContact CG-CZ 4.25Å; Q62-F97 PolarHBondContact NE2-O 2.8Å; Q62-P115 WeakPolarHBondContact CG-O 3.18Å; Q62-L116 PolarHBondContact NE2-O 3.05Å; Q62-A117 VanDerWaalsContact CB-O 3.27Å; Q62-A117 WeakPolarHBondContact CB-O 3.39Å; Q62-A117 WeakPolarHBondContact CG-O 3.41Å; Q62-A117 PolarHBondContact NE2-O 3.45Å |
| 63 | I | 88.7 | Confident | 90.8 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 18% | 0.179 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.9 | -30.4 | -178.9 | -170.2 | 59.8 | 0 | 0 | 0 | 113 | K61 Y66 K67 | K61-I63 VanDerWaalsContact C-N 3.27Å; K61-I63 HydrophobicContact CB-CG2 4.07Å; K61-I63 PolarHBondContact O-N 3.41Å; I63-Y66 HydrophobicContact CD1-CD1 4.28Å; I63-Y66 PolarHBondContact O-N 2.89Å; I63-K67 HydrophobicContact CD1-CD 4.3Å; I63-K67 HydrophobicContact CD1-CG 4.15Å; I63-K67 HydrophobicContact CG1-CD 4.06Å; I63-K67 HydrophobicContact CG1-CG 4.32Å; I63-K67 WeakPolarHBondContact O-CB 3.27Å; I63-K67 WeakPolarHBondContact O-CG 3.38Å; I63-K67 PolarHBondContact O-N 3.49Å |
| 64 | D | 90.5 | Very high | 90.8 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 35% | 0.353 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.6 | -44.8 | 179.7 | -52.6 | -36.2 | 0 | 0 | 0 | 110.3 | K61 Q62 Y66 S68 | K61-D64 WeakPolarHBondContact CB-OD2 3.15Å; K61-D64 PolarHBondContact N-OD2 2.86Å; K61-D64 PolarHBondContact O-N 3.31Å; Q62-D64 VanDerWaalsContact C-N 3.31Å; Q62-D64 PolarHBondContact O-N 3.31Å; D64-Y66 VanDerWaalsContact C-N 3.35Å; D64-S68 PolarHBondContact O-N 3.36Å |
| 65 | V | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 173.8 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | F56 K61 Q62 M69 T98 I326 | F56-V65 HydrophobicContact CB-CG2 4.32Å; F56-V65 HydrophobicContact CD1-CG2 3.96Å; F56-V65 HydrophobicContact CD2-CG1 4.38Å; F56-V65 HydrophobicContact CD2-CG2 3.95Å; F56-V65 HydrophobicContact CE1-CG2 4.27Å; F56-V65 HydrophobicContact CE2-CB 4.39Å; F56-V65 HydrophobicContact CE2-CG1 4.07Å; F56-V65 HydrophobicContact CE2-CG2 4.25Å; F56-V65 HydrophobicContact CG-CG2 3.8Å; F56-V65 HydrophobicContact CZ-CB 4.38Å; F56-V65 HydrophobicContact CZ-CG1 4.43Å; F56-V65 HydrophobicContact CZ-CG2 4.42Å; K61-V65 PolarHBondContact O-N 3.09Å; Q62-V65 PolarHBondContact O-N 3.43Å; V65-M69 WeakPolarHBondContact O-CB 3.44Å; V65-M69 PolarHBondContact O-N 3.31Å; V65-T98 HydrophobicContact CG1-CG2 4.22Å; V65-I326 HydrophobicContact CG1-CD1 4.03Å |
| 66 | Y | 91.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -49.7 | 179.3 | -179.6 | -93.9 | 0 | 0 | 0 | 112.4 | Q62 I63 D64 S68 V70 A71 W111 R122 V123 H126 | Q62-Y66 WeakPolarHBondContact O-CB 3.26Å; Q62-Y66 PolarHBondContact O-N 2.96Å; I63-Y66 HydrophobicContact CD1-CD1 4.28Å; I63-Y66 PolarHBondContact O-N 2.89Å; D64-Y66 VanDerWaalsContact C-N 3.35Å; Y66-S68 PolarHBondContact O-N 3.32Å; Y66-V70 HydrophobicContact CD2-CB 3.74Å; Y66-V70 HydrophobicContact CD2-CG1 3.81Å; Y66-V70 HydrophobicContact CD2-CG2 4.29Å; Y66-V70 HydrophobicContact CE2-CB 3.88Å; Y66-V70 HydrophobicContact CE2-CG1 3.5Å; Y66-V70 HydrophobicContact CG-CB 4.37Å; Y66-V70 WeakPolarHBondContact O-CA 3.35Å; Y66-V70 WeakPolarHBondContact O-CB 3.47Å; Y66-V70 PolarHBondContact O-N 2.77Å; Y66-A71 HydrophobicContact CD1-CB 4.48Å; Y66-A71 HydrophobicContact CE1-CB 4.03Å; Y66-A71 PolarHBondContact O-N 3.09Å; Y66-W111 HydrophobicContact CD1-CZ3 4.44Å; Y66-W111 HydrophobicContact CE1-CH2 4.48Å; Y66-W111 AromaticContact CE1-CZ3 3.93Å; Y66-W111 HydrophobicContact CE1-CZ3 3.93Å; Y66-R122 HydrophobicContact CD1-CB 4.44Å; Y66-R122 HydrophobicContact CD2-CB 3.51Å; Y66-R122 HydrophobicContact CD2-CG 4.37Å; Y66-R122 HydrophobicContact CE1-CB 4.4Å; Y66-R122 HydrophobicContact CE2-CB 3.45Å; Y66-R122 VanDerWaalsContact CE2-CB 3.45Å; Y66-R122 HydrophobicContact CG-CB 4.04Å; Y66-R122 PolarHBondContact OH-O 2.9Å; Y66-V123 HydrophobicContact CE2-CG2 4.01Å; Y66-H126 AromaticContact CZ-ND1 3.96Å; Y66-H126 WeakPolarHBondContact OH-CB 3.33Å; Y66-H126 PolarHBondContact OH-ND1 2.79Å |
| 67 | K | 90.4 | Very high | 90.2 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.1 | -38.2 | -177 | -78.3 | -178.6 | 174.2 | -178.4 | 0 | 112.9 | I63 | I63-K67 HydrophobicContact CD1-CD 4.3Å; I63-K67 HydrophobicContact CD1-CG 4.15Å; I63-K67 HydrophobicContact CG1-CD 4.06Å; I63-K67 HydrophobicContact CG1-CG 4.32Å; I63-K67 WeakPolarHBondContact O-CB 3.27Å; I63-K67 WeakPolarHBondContact O-CG 3.38Å; I63-K67 PolarHBondContact O-N 3.49Å |
| 68 | S | 90.2 | Very high | 90.1 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -81.5 | -43.6 | -180 | -69.4 | 0 | 0 | 0 | 0 | 113.9 | D64 Y66 | D64-S68 PolarHBondContact O-N 3.36Å; Y66-S68 PolarHBondContact O-N 3.32Å |
| 69 | M | 90.3 | Very high | 90 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -95.1 | -26.9 | -172 | -71.2 | -63.6 | -74.1 | 0 | 0 | 114.9 | R11 A13 F56 V65 I326 | R11-M69 HydrophobicContact CB-CE 4.49Å; A13-M69 HydrophobicContact CB-CE 3.73Å; A13-M69 HydrophobicContact CB-CG 3.93Å; A13-M69 HydrophobicContact CB-SD 3.52Å; A13-M69 VanDerWaalsContact CB-SD 3.52Å; F56-M69 HydrophobicContact CE2-CG 3.97Å; F56-M69 HydrophobicContact CZ-CG 4.11Å; V65-M69 WeakPolarHBondContact O-CB 3.44Å; V65-M69 PolarHBondContact O-N 3.31Å; M69-I326 HydrophobicContact CB-CD1 4.4Å; M69-I326 HydrophobicContact CE-CG1 4.19Å |
| 70 | V | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -43.2 | -161.5 | -173.9 | 0 | 0 | 0 | 0 | 113.1 | Y66 P72 M73 I85 I119 V123 | Y66-V70 HydrophobicContact CD2-CB 3.74Å; Y66-V70 HydrophobicContact CD2-CG1 3.81Å; Y66-V70 HydrophobicContact CD2-CG2 4.29Å; Y66-V70 HydrophobicContact CE2-CB 3.88Å; Y66-V70 HydrophobicContact CE2-CG1 3.5Å; Y66-V70 HydrophobicContact CG-CB 4.37Å; Y66-V70 WeakPolarHBondContact O-CA 3.35Å; Y66-V70 WeakPolarHBondContact O-CB 3.47Å; Y66-V70 PolarHBondContact O-N 2.77Å; V70-P72 VanDerWaalsContact C-CD 3.46Å; V70-P72 VanDerWaalsContact C-N 3.31Å; V70-M73 WeakPolarHBondContact O-CB 3.42Å; V70-M73 PolarHBondContact O-N 3.03Å; V70-I85 HydrophobicContact CB-CD1 4.21Å; V70-I85 HydrophobicContact CG1-CD1 3.73Å; V70-I85 HydrophobicContact CG2-CD1 3.82Å; V70-I119 HydrophobicContact CG1-CG2 4.13Å; V70-I119 HydrophobicContact CG2-CD1 3.83Å; V70-I119 HydrophobicContact CG2-CG1 4Å; V70-I119 HydrophobicContact CG2-CG2 4.12Å; V70-V123 HydrophobicContact CG1-CG2 3.42Å; V70-V123 VanDerWaalsContact CG1-CG2 3.42Å |
| 71 | A | 90.5 | Very high | 89.8 | Confident | 20 Ų | 20 | 39 Ų | 39 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53 | -42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y66 M73 I74 | Y66-A71 HydrophobicContact CD1-CB 4.48Å; Y66-A71 HydrophobicContact CE1-CB 4.03Å; Y66-A71 PolarHBondContact O-N 3.09Å; A71-M73 PolarHBondContact O-N 3.07Å; A71-I74 WeakPolarHBondContact O-CB 3.16Å; A71-I74 PolarHBondContact O-N 2.94Å; A71-I74 VanDerWaalsContact O-N 3.16Å |
| 72 | P | 90.1 | Very high | 89.8 | Confident | 48 Ų | 48 | 33.6 Ų | 33.6 | 31% | 0.312 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.2 | -21.4 | 175.5 | -22.4 | 34.8 | 0 | 0 | 0 | 114.6 | V70 E76 | V70-P72 VanDerWaalsContact C-CD 3.46Å; V70-P72 VanDerWaalsContact C-N 3.31Å; P72-E76 WeakPolarHBondContact O-CG 3.29Å |
| 73 | M | 89.9 | Confident | 89.9 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.054 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78 | -20.4 | 177.7 | -68 | -175.1 | 140.2 | 0 | 0 | 112.8 | V70 A71 E76 I77 C83 I85 K322 S324 | V70-M73 WeakPolarHBondContact O-CB 3.42Å; V70-M73 PolarHBondContact O-N 3.03Å; A71-M73 PolarHBondContact O-N 3.07Å; M73-E76 PolarHBondContact O-N 3.48Å; M73-I77 WeakPolarHBondContact O-CD1 3.2Å; M73-I77 WeakPolarHBondContact O-CG1 3.4Å; M73-I77 PolarHBondContact O-N 2.85Å; M73-C83 HydrophobicContact SD-CB 4.47Å; M73-I85 HydrophobicContact SD-CD1 3.78Å; M73-I85 HydrophobicContact SD-CG1 3.56Å; M73-I85 VanDerWaalsContact SD-CG1 3.56Å; M73-K322 HydrophobicContact CE-CB 4.48Å; M73-K322 VanDerWaalsContact CE-O 3.28Å; M73-K322 WeakPolarHBondContact CE-O 3.47Å; M73-S324 VanDerWaalsContact CE-OG 3.24Å; M73-S324 WeakPolarHBondContact CE-OG 3.14Å |
| 74 | I | 90.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 178.3 | -55.6 | -55.8 | 0 | 0 | 0 | 110.6 | A71 E76 I77 I78 V123 L127 | A71-I74 WeakPolarHBondContact O-CB 3.16Å; A71-I74 PolarHBondContact O-N 2.94Å; A71-I74 VanDerWaalsContact O-N 3.16Å; I74-E76 VanDerWaalsContact C-N 3.35Å; I74-E76 PolarHBondContact O-N 3.45Å; I74-I77 HydrophobicContact CD1-CD1 4.38Å; I74-I77 PolarHBondContact O-N 2.69Å; I74-I78 HydrophobicContact CG2-CD1 4.09Å; I74-I78 WeakPolarHBondContact O-CG1 3.27Å; I74-I78 PolarHBondContact O-N 3.46Å; I74-I78 VanDerWaalsContact O-N 3.08Å; I74-V123 HydrophobicContact CD1-CG1 4.1Å; I74-V123 HydrophobicContact CD1-CG2 4.4Å; I74-L127 HydrophobicContact CG2-CB 4.34Å; I74-L127 HydrophobicContact CG2-CD1 4.1Å |
| 75 | E | 89.3 | Confident | 90.3 | Very high | 133 Ų | 133 | 28.4 Ų | 28.4 | 62% | 0.621 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -60.1 | -43.3 | 173.5 | -63.4 | 175.3 | -165.5 | 0 | 0 | 111.7 | I77 I78 M79 | E75-I77 PolarHBondContact O-N 3.07Å; E75-I78 CarbonylContact O-C 3.29Å; E75-I78 WeakPolarHBondContact O-CB 3.08Å; E75-I78 PolarHBondContact O-N 3.46Å; E75-M79 WeakPolarHBondContact O-CG 3.49Å; E75-M79 PolarHBondContact O-N 3.35Å |
| 76 | E | 90 | Very high | 90.3 | Very high | 39 Ų | 39 | 28.7 Ų | 28.7 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | -179.9 | -60.2 | -85.5 | -140.7 | 0 | 0 | 112.3 | P72 M73 I74 I78 M79 G80 Y81 K322 | P72-E76 WeakPolarHBondContact O-CG 3.29Å; M73-E76 PolarHBondContact O-N 3.48Å; I74-E76 VanDerWaalsContact C-N 3.35Å; I74-E76 PolarHBondContact O-N 3.45Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-M79 CarbonylContact O-C 3.57Å; E76-M79 WeakPolarHBondContact O-CB 3.44Å; E76-M79 PolarHBondContact O-N 2.92Å; E76-G80 PolarHBondContact O-N 2.65Å; E76-G80 VanDerWaalsContact O-N 3.14Å; E76-Y81 HydrophobicContact CB-CD2 4.13Å; E76-Y81 WeakPolarHBondContact O-CD2 3.4Å; E76-Y81 PolarHBondContact O-N 3.31Å; E76-Y81 WeakPolarHBondContact OE2-CD2 3.26Å; E76-Y81 WeakPolarHBondContact OE2-CE2 3.41Å; E76-K322 HydrophobicContact CB-CD 4.38Å; E76-K322 HydrophobicContact CG-CD 4.23Å; E76-K322 WeakPolarHBondContact OE1-CD 3.33Å; E76-K322 IonicContact OE1-NZ 3.64Å; E76-K322 PolarHBondContact OE1-NZ 2.79Å; E76-K322 IonicContact OE2-NZ 3.94Å; E76-K322 PolarHBondContact OE2-NZ 2.67Å |
| 77 | I | 90.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.4 | -64.5 | 152 | 0 | 0 | 0 | 110.1 | M73 I74 E75 M79 G80 C83 V235 G252 L254 | M73-I77 WeakPolarHBondContact O-CD1 3.2Å; M73-I77 WeakPolarHBondContact O-CG1 3.4Å; M73-I77 PolarHBondContact O-N 2.85Å; I74-I77 HydrophobicContact CD1-CD1 4.38Å; I74-I77 PolarHBondContact O-N 2.69Å; E75-I77 PolarHBondContact O-N 3.07Å; I77-M79 VanDerWaalsContact C-N 3.27Å; I77-M79 PolarHBondContact O-N 3.49Å; I77-G80 WeakPolarHBondContact O-CA 3.47Å; I77-G80 PolarHBondContact O-N 2.94Å; I77-C83 HydrophobicContact CD1-CB 4.36Å; I77-C83 HydrophobicContact CG1-CB 4.04Å; I77-V235 HydrophobicContact CG2-CB 4.11Å; I77-V235 HydrophobicContact CG2-CG2 3.7Å; I77-G252 WeakPolarHBondContact O-CA 3.48Å; I77-L254 HydrophobicContact CD1-CB 3.59Å; I77-L254 HydrophobicContact CD1-CD1 4.19Å; I77-L254 HydrophobicContact CD1-CD2 3.63Å; I77-L254 HydrophobicContact CD1-CG 3.99Å; I77-L254 HydrophobicContact CG1-CB 4.18Å |
| 78 | I | 88.7 | Confident | 90.4 | Very high | 17 Ų | 17 | 22.9 Ų | 22.9 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.2 | -28.1 | 175.4 | -70.7 | 169.2 | 0 | 0 | 0 | 111.5 | I74 E75 E76 G80 L127 T130 L131 I237 R250 | I74-I78 HydrophobicContact CG2-CD1 4.09Å; I74-I78 WeakPolarHBondContact O-CG1 3.27Å; I74-I78 PolarHBondContact O-N 3.46Å; I74-I78 VanDerWaalsContact O-N 3.08Å; E75-I78 CarbonylContact O-C 3.29Å; E75-I78 WeakPolarHBondContact O-CB 3.08Å; E75-I78 PolarHBondContact O-N 3.46Å; E76-I78 VanDerWaalsContact C-N 3.34Å; I78-G80 VanDerWaalsContact C-N 3.28Å; I78-L127 HydrophobicContact CD1-CD1 4.29Å; I78-L127 HydrophobicContact CG1-CD1 4.25Å; I78-T130 HydrophobicContact CD1-CG2 3.5Å; I78-T130 VanDerWaalsContact CD1-CG2 3.5Å; I78-L131 HydrophobicContact CD1-CD2 4.35Å; I78-L131 HydrophobicContact CG1-CD2 4.13Å; I78-I237 HydrophobicContact CB-CD1 4.12Å; I78-I237 HydrophobicContact CG1-CD1 4.11Å; I78-I237 HydrophobicContact CG2-CD1 3.85Å; I78-R250 WeakPolarHBondContact O-CD 3.23Å; I78-R250 PolarHBondContact O-NH1 3.3Å |
| 79 | M | 86.2 | Confident | 90.4 | Very high | 93 Ų | 93 | 20.6 Ų | 20.6 | 46% | 0.458 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -74 | -14.1 | 168.8 | -72.5 | -174.1 | 67.6 | 0 | 0 | 114 | E75 E76 I77 Y81 I358 | E75-M79 WeakPolarHBondContact O-CG 3.49Å; E75-M79 PolarHBondContact O-N 3.35Å; E76-M79 CarbonylContact O-C 3.57Å; E76-M79 WeakPolarHBondContact O-CB 3.44Å; E76-M79 PolarHBondContact O-N 2.92Å; I77-M79 VanDerWaalsContact C-N 3.27Å; I77-M79 PolarHBondContact O-N 3.49Å; M79-Y81 HydrophobicContact CB-CD2 4.07Å; M79-Y81 HydrophobicContact CB-CE2 4.17Å; M79-Y81 HydrophobicContact CE-CE2 4.4Å; M79-I358 WeakPolarHBondContact O-CG2 3.48Å |
| 80 | G | 86.2 | Confident | 90.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 14.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | E76 I77 I78 I251 N359 | E76-G80 PolarHBondContact O-N 2.65Å; E76-G80 VanDerWaalsContact O-N 3.14Å; I77-G80 WeakPolarHBondContact O-CA 3.47Å; I77-G80 PolarHBondContact O-N 2.94Å; I78-G80 VanDerWaalsContact C-N 3.28Å; G80-I251 CarbonylContact C-O 3.39Å; G80-I251 WeakPolarHBondContact CA-O 3.46Å; G80-I251 VanDerWaalsContact O-O 3.11Å; G80-N359 WeakPolarHBondContact O-CB 3.37Å; G80-N359 PolarHBondContact O-N 3.14Å; G80-N359 PolarHBondContact O-ND2 3.12Å |
| 81 | Y | 88.6 | Confident | 89.9 | Confident | 29 Ų | 29 | 23.3 Ų | 23.3 | 11% | 0.114 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | -72.5 | 156.2 | 169.8 | -68.4 | -79.3 | 0 | 0 | 0 | 111.4 | E76 M79 G252 K253 K322 P356 E357 I358 | E76-Y81 HydrophobicContact CB-CD2 4.13Å; E76-Y81 WeakPolarHBondContact O-CD2 3.4Å; E76-Y81 PolarHBondContact O-N 3.31Å; E76-Y81 WeakPolarHBondContact OE2-CD2 3.26Å; E76-Y81 WeakPolarHBondContact OE2-CE2 3.41Å; M79-Y81 HydrophobicContact CB-CD2 4.07Å; M79-Y81 HydrophobicContact CB-CE2 4.17Å; M79-Y81 HydrophobicContact CE-CE2 4.4Å; Y81-G252 WeakPolarHBondContact O-CA 3.34Å; Y81-K253 PolarHBondContact O-N 3.07Å; Y81-K322 HydrophobicContact CD1-CD 4.23Å; Y81-K322 HydrophobicContact CD2-CD 4.35Å; Y81-K322 VanDerWaalsContact CE2-NZ 3.26Å; Y81-K322 HydrophobicContact CG-CD 4.07Å; Y81-K322 VanDerWaalsContact CZ-NZ 3.27Å; Y81-P356 HydrophobicContact CD1-CB 4.21Å; Y81-P356 HydrophobicContact CE1-CB 4.37Å; Y81-E357 WeakPolarHBondContact CD1-O 3.49Å; Y81-I358 HydrophobicContact CD1-CG1 3.97Å; Y81-I358 HydrophobicContact CD2-CG1 4.28Å; Y81-I358 HydrophobicContact CE1-CD1 4.44Å; Y81-I358 HydrophobicContact CE1-CG1 3.47Å; Y81-I358 VanDerWaalsContact CE1-CG1 3.47Å; Y81-I358 HydrophobicContact CE2-CD1 4.14Å; Y81-I358 HydrophobicContact CE2-CG1 3.81Å; Y81-I358 HydrophobicContact CG-CG1 4.36Å |
| 82 | N | 90.3 | Very high | 89.4 | Confident | 18 Ų | 18 | 24.9 Ų | 24.9 | 10% | 0.096 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 139.6 | 156.8 | -65.1 | -14.9 | 0 | 0 | 0 | 108.9 | K253 D315 T321 K322 N359 | N82-K253 CarbonylContact C-O 3.55Å; N82-K253 WeakPolarHBondContact CA-O 3.05Å; N82-D315 PolarHBondContact ND2-OD2 2.95Å; N82-D315 VanDerWaalsContact ND2-OD2 3.13Å; N82-T321 HydrophobicContact CB-CG2 4.16Å; N82-T321 WeakPolarHBondContact CB-OG1 3.44Å; N82-T321 WeakPolarHBondContact O-CA 3.18Å; N82-K322 PolarHBondContact O-N 3.5Å; N82-N359 PolarHBondContact OD1-ND2 3.15Å |
| 83 | C | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151 | 175.9 | -70.2 | 0 | 0 | 0 | 0 | 111 | M73 I77 K253 L254 H255 T321 K322 | M73-C83 HydrophobicContact SD-CB 4.47Å; I77-C83 HydrophobicContact CD1-CB 4.36Å; I77-C83 HydrophobicContact CG1-CB 4.04Å; C83-K253 PolarHBondContact N-O 3.46Å; C83-L254 HydrophobicContact CB-CD1 3.69Å; C83-L254 WeakPolarHBondContact O-CA 3.45Å; C83-H255 PolarHBondContact O-N 3.48Å; C83-T321 VanDerWaalsContact C-CG2 3.48Å; C83-K322 CarbonylContact C-O 3.54Å; C83-K322 VanDerWaalsContact CA-O 3.25Å; C83-K322 WeakPolarHBondContact CA-O 3.27Å |
| 84 | T | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 136.3 | 170.8 | -64.5 | 0 | 0 | 0 | 0 | 111 | F86 H255 V257 S316 T321 K322 T323 S324 | T84-F86 HydrophobicContact CG2-CD1 4.38Å; T84-F86 HydrophobicContact CG2-CD2 3.96Å; T84-F86 HydrophobicContact CG2-CE1 3.94Å; T84-F86 HydrophobicContact CG2-CE2 3.53Å; T84-F86 HydrophobicContact CG2-CG 4.38Å; T84-F86 HydrophobicContact CG2-CZ 3.51Å; T84-H255 CarbonylContact C-O 3.55Å; T84-H255 WeakPolarHBondContact CA-O 3.36Å; T84-H255 HydrophobicContact CG2-CB 4.18Å; T84-V257 HydrophobicContact CG2-CG2 4.13Å; T84-S316 PolarHBondContact OG1-OG 2.7Å; T84-T321 VanDerWaalsContact OG1-CG2 3.31Å; T84-T321 WeakPolarHBondContact OG1-CG2 3.46Å; T84-K322 PolarHBondContact N-O 3.28Å; T84-T323 WeakPolarHBondContact O-CA 3.39Å; T84-S324 PolarHBondContact O-N 3.07Å |
| 85 | I | 94.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.5 | 172.5 | -62.3 | 163.8 | 0 | 0 | 0 | 108.5 | V70 M73 M99 I119 L254 H255 L256 V257 S324 I326 | V70-I85 HydrophobicContact CB-CD1 4.21Å; V70-I85 HydrophobicContact CG1-CD1 3.73Å; V70-I85 HydrophobicContact CG2-CD1 3.82Å; M73-I85 HydrophobicContact SD-CD1 3.78Å; M73-I85 HydrophobicContact SD-CG1 3.56Å; M73-I85 VanDerWaalsContact SD-CG1 3.56Å; I85-M99 HydrophobicContact CG2-SD 4.45Å; I85-I119 HydrophobicContact CD1-CG2 4.5Å; I85-I119 HydrophobicContact CG2-CD1 4.43Å; I85-L254 HydrophobicContact CD1-CD1 4.15Å; I85-L254 HydrophobicContact CG1-CD1 4.36Å; I85-H255 PolarHBondContact N-O 2.89Å; I85-L256 HydrophobicContact CB-CD2 3.94Å; I85-L256 HydrophobicContact CD1-CD2 3.74Å; I85-L256 HydrophobicContact CG1-CD2 4.27Å; I85-V257 PolarHBondContact O-N 2.88Å; I85-S324 WeakPolarHBondContact CA-O 3.29Å; I85-I326 HydrophobicContact CG2-CD1 3.97Å; I85-I326 HydrophobicContact CG2-CG1 4.44Å |
| 86 | F | 90.5 | Very high | 89.1 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.5 | 173.9 | -65.9 | -71.6 | 0 | 0 | 0 | 111.7 | T84 V257 L259 L313 L317 T323 S324 I325 I326 | T84-F86 HydrophobicContact CG2-CD1 4.38Å; T84-F86 HydrophobicContact CG2-CD2 3.96Å; T84-F86 HydrophobicContact CG2-CE1 3.94Å; T84-F86 HydrophobicContact CG2-CE2 3.53Å; T84-F86 HydrophobicContact CG2-CG 4.38Å; T84-F86 HydrophobicContact CG2-CZ 3.51Å; F86-V257 HydrophobicContact CD1-CB 3.62Å; F86-V257 HydrophobicContact CD1-CG1 3.74Å; F86-V257 HydrophobicContact CD1-CG2 4.05Å; F86-V257 HydrophobicContact CE1-CB 3.93Å; F86-V257 HydrophobicContact CE1-CG1 3.93Å; F86-V257 HydrophobicContact CE1-CG2 3.88Å; F86-L259 HydrophobicContact CD1-CD1 4.24Å; F86-L313 HydrophobicContact CE1-CD1 3.45Å; F86-L313 VanDerWaalsContact CE1-CD1 3.45Å; F86-L313 HydrophobicContact CE1-CD2 3.63Å; F86-L313 HydrophobicContact CE1-CG 4.07Å; F86-L313 HydrophobicContact CZ-CB 4.34Å; F86-L313 HydrophobicContact CZ-CD1 3.85Å; F86-L313 HydrophobicContact CZ-CD2 3.8Å; F86-L313 HydrophobicContact CZ-CG 4.19Å; F86-L317 HydrophobicContact CE2-CD2 3.99Å; F86-L317 HydrophobicContact CE2-CG 4.42Å; F86-L317 HydrophobicContact CZ-CG 4.49Å; F86-T323 HydrophobicContact CD2-CG2 3.74Å; F86-T323 HydrophobicContact CE2-CG2 3.53Å; F86-S324 PolarHBondContact N-O 2.94Å; F86-I325 HydrophobicContact CB-CG1 4.15Å; F86-I325 HydrophobicContact CB-CG2 4.47Å; F86-I325 HydrophobicContact CD2-CG1 3.83Å; F86-I325 HydrophobicContact CG-CG1 4.41Å; F86-I326 PolarHBondContact O-N 2.96Å |
| 87 | A | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K95 M99 V257 L259 | A87-K95 HydrophobicContact CB-CB 3.93Å; A87-K95 HydrophobicContact CB-CG 4.31Å; A87-M99 HydrophobicContact CB-CG 3.52Å; A87-M99 HydrophobicContact CB-SD 3.78Å; A87-V257 PolarHBondContact N-O 2.85Å; A87-L259 WeakPolarHBondContact O-CB 3.47Å; A87-L259 PolarHBondContact O-N 3.15Å |
| 88 | Y | 92.2 | Very high | 89 | Confident | 12 Ų | 12 | 20.8 Ų | 20.8 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 162.2 | -176.3 | -177.9 | -105.2 | 0 | 0 | 0 | 112.1 | L259 S262 L285 I326 T328 T342 Y345 | Y88-L259 HydrophobicContact CD2-CD1 3.8Å; Y88-L259 HydrophobicContact CG-CD1 4.48Å; Y88-S262 WeakPolarHBondContact OH-CB 3.47Å; Y88-L285 HydrophobicContact CE2-CD2 4.25Å; Y88-I326 PolarHBondContact N-O 3.37Å; Y88-T328 PolarHBondContact O-N 2.94Å; Y88-T328 PolarHBondContact O-OG1 2.78Å; Y88-T342 HydrophobicContact CD1-CG2 4.08Å; Y88-T342 HydrophobicContact CE1-CG2 4.26Å; Y88-Y345 AromaticContact CD1-CD1 3.42Å; Y88-Y345 HydrophobicContact CD1-CD1 3.42Å; Y88-Y345 VanDerWaalsContact CD1-CD1 3.42Å; Y88-Y345 AromaticContact CD1-CE1 3.5Å; Y88-Y345 HydrophobicContact CD1-CE1 3.5Å; Y88-Y345 HydrophobicContact CD1-CG 4.16Å; Y88-Y345 HydrophobicContact CD2-CE1 4.04Å; Y88-Y345 AromaticContact CE1-CD1 3.2Å; Y88-Y345 HydrophobicContact CE1-CD1 3.2Å; Y88-Y345 AromaticContact CE1-CD2 3.98Å; Y88-Y345 HydrophobicContact CE1-CD2 3.98Å; Y88-Y345 AromaticContact CE1-CE1 3.54Å; Y88-Y345 HydrophobicContact CE1-CE1 3.54Å; Y88-Y345 HydrophobicContact CE1-CE2 4.25Å; Y88-Y345 AromaticContact CE1-CG 3.44Å; Y88-Y345 HydrophobicContact CE1-CG 3.44Å; Y88-Y345 VanDerWaalsContact CE1-CG 3.44Å; Y88-Y345 HydrophobicContact CE2-CD1 4.49Å; Y88-Y345 HydrophobicContact CE2-CE1 4.06Å; Y88-Y345 HydrophobicContact CE2-CE2 4.13Å; Y88-Y345 AromaticContact CE2-CZ 3.84Å; Y88-Y345 HydrophobicContact CG-CD1 4.18Å; Y88-Y345 AromaticContact CG-CE1 3.77Å; Y88-Y345 HydrophobicContact CG-CE1 3.77Å; Y88-Y345 AromaticContact CZ-CD1 3.79Å; Y88-Y345 AromaticContact CZ-CD2 3.8Å; Y88-Y345 AromaticContact CZ-CE1 3.81Å; Y88-Y345 AromaticContact CZ-CE2 3.81Å; Y88-Y345 AromaticContact CZ-CG 3.78Å; Y88-Y345 AromaticContact CZ-CZ 3.79Å |
| 89 | G | 89.7 | Confident | 89 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 122.3 | -178.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K95 S262 | G89-K95 WeakPolarHBondContact O-CD 3.28Å; G89-K95 PolarHBondContact O-NZ 2.88Å; G89-S262 PolarHBondContact O-N 3.28Å; G89-S262 PolarHBondContact O-OG 3.13Å |
| 90 | Q | 86.7 | Confident | 88.9 | Confident | 21 Ų | 21 | 17.3 Ų | 17.3 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -62.7 | 167.4 | -178.1 | 63.7 | 175.6 | 108.4 | 0 | 0 | 114.4 | S93 K95 S262 E263 E338 | Q90-S93 WeakPolarHBondContact O-CB 3.49Å; Q90-S93 PolarHBondContact O-N 3.07Å; Q90-S93 PolarHBondContact O-OG 3.48Å; Q90-K95 VanDerWaalsContact C-NZ 3.31Å; Q90-K95 PolarHBondContact O-NZ 3.39Å; Q90-S262 PolarHBondContact N-OG 2.85Å; Q90-S262 VanDerWaalsContact N-OG 3.1Å; Q90-E263 WeakPolarHBondContact CA-OE2 3.07Å; Q90-E338 HydrophobicContact CB-CB 4.21Å |
| 91 | T | 83.3 | Confident | 88.7 | Confident | 40 Ų | 40 | 18 Ų | 18 | 25% | 0.245 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 138.3 | 164.1 | -66 | 0 | 0 | 0 | 0 | 110.7 | S93 S225 E263 | T91-S93 VanDerWaalsContact C-N 3.26Å; T91-S93 PolarHBondContact O-N 2.85Å; T91-S225 VanDerWaalsContact OG1-CB 3.32Å; T91-S225 WeakPolarHBondContact OG1-CB 3.44Å; T91-E263 WeakPolarHBondContact CB-OE1 3.17Å; T91-E263 PolarHBondContact N-OE2 3.18Å; T91-E263 PolarHBondContact OG1-OE1 2.99Å; T91-E263 PolarHBondContact OG1-OE2 3Å |
| 92 | G | 81.4 | Confident | 87.9 | Confident | 52 Ų | 52 | 22.2 Ų | 22.2 | 54% | 0.536 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R17 | R17-G92 PolarHBondContact NE-O 3.36Å; R17-G92 PolarHBondContact NH2-O 2.96Å |
| 93 | S | 87.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -72.6 | -29.7 | 173 | 61.5 | 0 | 0 | 0 | 0 | 114 | R17 Q90 T91 T328 | R17-S93 WeakPolarHBondContact CD-O 3.4Å; R17-S93 WeakPolarHBondContact CG-O 3.33Å; Q90-S93 WeakPolarHBondContact O-CB 3.49Å; Q90-S93 PolarHBondContact O-N 3.07Å; Q90-S93 PolarHBondContact O-OG 3.48Å; T91-S93 VanDerWaalsContact C-N 3.26Å; T91-S93 PolarHBondContact O-N 2.85Å; S93-T328 VanDerWaalsContact CB-O 3.27Å; S93-T328 WeakPolarHBondContact CB-O 3.1Å; S93-T328 WeakPolarHBondContact CB-OG1 3.34Å; S93-T328 PolarHBondContact OG-OG1 2.73Å |
| 94 | G | 87.4 | Confident | 84.4 | Confident | 17 Ų | 17 | 31 Ų | 31 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 118.2 | 17.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F97 T98 | G94-F97 PolarHBondContact O-N 2.97Å; G94-T98 WeakPolarHBondContact O-CB 3.47Å; G94-T98 PolarHBondContact O-N 2.7Å; G94-T98 PolarHBondContact O-OG1 2.78Å |
| 95 | K | 90.3 | Very high | 82.4 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.2 | -66.2 | 175.5 | -61 | -170.6 | -64.5 | -79.4 | 0 | 112.9 | A87 G89 Q90 F97 T98 M99 D258 L259 A260 T328 | A87-K95 HydrophobicContact CB-CB 3.93Å; A87-K95 HydrophobicContact CB-CG 4.31Å; G89-K95 WeakPolarHBondContact O-CD 3.28Å; G89-K95 PolarHBondContact O-NZ 2.88Å; Q90-K95 VanDerWaalsContact C-NZ 3.31Å; Q90-K95 PolarHBondContact O-NZ 3.39Å; K95-F97 VanDerWaalsContact C-N 3.27Å; K95-F97 PolarHBondContact O-N 3.01Å; K95-T98 WeakPolarHBondContact O-CA 3.3Å; K95-T98 VanDerWaalsContact O-CB 3.3Å; K95-T98 WeakPolarHBondContact O-CB 3.41Å; K95-T98 PolarHBondContact O-N 3.29Å; K95-M99 PolarHBondContact O-N 2.79Å; K95-D258 WeakPolarHBondContact CB-OD1 3.36Å; K95-L259 WeakPolarHBondContact CE-O 3.34Å; K95-A260 WeakPolarHBondContact CE-O 3.12Å; K95-A260 PolarHBondContact NZ-O 3.29Å; K95-T328 WeakPolarHBondContact CG-OG1 3.26Å |
| 96 | T | 87.1 | Confident | 80.1 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -30.8 | 179.9 | -42.2 | 0 | 0 | 0 | 0 | 113 | T98 M99 T100 G101 D258 | T96-T98 VanDerWaalsContact C-N 3.31Å; T96-T98 PolarHBondContact O-N 3.31Å; T96-M99 PolarHBondContact O-N 3.43Å; T96-T100 WeakPolarHBondContact O-CB 3.24Å; T96-T100 PolarHBondContact O-N 2.86Å; T96-G101 PolarHBondContact O-N 3Å; T96-D258 WeakPolarHBondContact CA-OD1 3.37Å; T96-D258 WeakPolarHBondContact CA-OD2 3.45Å; T96-D258 VanDerWaalsContact CB-OD2 3.28Å; T96-D258 WeakPolarHBondContact CB-OD2 3.46Å; T96-D258 WeakPolarHBondContact CG2-OD2 3.29Å; T96-D258 PolarHBondContact N-OD1 2.99Å; T96-D258 VanDerWaalsContact N-OD1 3.11Å; T96-D258 PolarHBondContact OG1-OD2 2.91Å |
| 97 | F | 88.1 | Confident | 77.9 | Confident | 68 Ų | 68 | 52.3 Ų | 52.3 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 170.8 | 180 | -98.9 | 0 | 0 | 0 | 111.6 | Q62 G94 K95 G101 E102 | Q62-F97 HydrophobicContact CG-CE1 4.29Å; Q62-F97 HydrophobicContact CG-CZ 4.25Å; Q62-F97 PolarHBondContact NE2-O 2.8Å; G94-F97 PolarHBondContact O-N 2.97Å; K95-F97 VanDerWaalsContact C-N 3.27Å; K95-F97 PolarHBondContact O-N 3.01Å; F97-G101 VanDerWaalsContact O-CA 3.26Å; F97-G101 WeakPolarHBondContact O-CA 3.25Å; F97-G101 PolarHBondContact O-N 3.15Å; F97-G101 VanDerWaalsContact O-N 3.15Å; F97-E102 HydrophobicContact CD2-CG 3.98Å; F97-E102 HydrophobicContact CE2-CB 4.46Å; F97-E102 HydrophobicContact CE2-CG 3.91Å |
| 98 | T | 91 | Very high | 75.8 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 175.6 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | R15 V65 G94 K95 T96 I119 I326 | R15-T98 WeakPolarHBondContact CD-OG1 3.24Å; R15-T98 PolarHBondContact NH1-OG1 3.37Å; V65-T98 HydrophobicContact CG1-CG2 4.22Å; G94-T98 WeakPolarHBondContact O-CB 3.47Å; G94-T98 PolarHBondContact O-N 2.7Å; G94-T98 PolarHBondContact O-OG1 2.78Å; K95-T98 WeakPolarHBondContact O-CA 3.3Å; K95-T98 VanDerWaalsContact O-CB 3.3Å; K95-T98 WeakPolarHBondContact O-CB 3.41Å; K95-T98 PolarHBondContact O-N 3.29Å; T96-T98 VanDerWaalsContact C-N 3.31Å; T96-T98 PolarHBondContact O-N 3.31Å; T98-I119 HydrophobicContact CG2-CD1 3.77Å; T98-I119 HydrophobicContact CG2-CG1 4.49Å; T98-I119 WeakPolarHBondContact O-CG1 3.37Å; T98-I119 PolarHBondContact O-N 3.46Å; T98-I326 HydrophobicContact CG2-CD1 4.15Å; T98-I326 HydrophobicContact CG2-CG2 4.2Å |
| 99 | M | 89.6 | Confident | 73.6 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.2 | -51 | -177.4 | -61.2 | -55.6 | -74 | 0 | 0 | 113.1 | I85 A87 K95 T96 G118 I119 I120 L256 D258 | I85-M99 HydrophobicContact CG2-SD 4.45Å; A87-M99 HydrophobicContact CB-CG 3.52Å; A87-M99 HydrophobicContact CB-SD 3.78Å; K95-M99 PolarHBondContact O-N 2.79Å; T96-M99 PolarHBondContact O-N 3.43Å; M99-G118 CarbonylContact O-C 3.5Å; M99-I119 PolarHBondContact O-N 3.33Å; M99-I119 HydrophobicContact SD-CD1 4.19Å; M99-I120 HydrophobicContact CB-CD1 4.21Å; M99-I120 VanDerWaalsContact O-CG1 3.31Å; M99-I120 WeakPolarHBondContact O-CG1 3.22Å; M99-I120 PolarHBondContact O-N 2.98Å; M99-L256 HydrophobicContact CE-CB 3.7Å; M99-L256 HydrophobicContact CE-CD2 4.31Å; M99-D258 HydrophobicContact CB-CB 4.24Å; M99-D258 HydrophobicContact CG-CB 3.97Å |
| 100 | T | 84.2 | Confident | 72 | Confident | 36 Ų | 36 | 76 Ų | 76 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -44.1 | -174.8 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | T96 G118 I201 | T96-T100 WeakPolarHBondContact O-CB 3.24Å; T96-T100 PolarHBondContact O-N 2.86Å; T100-G118 WeakPolarHBondContact O-CA 3.3Å; T100-G118 PolarHBondContact O-N 3.4Å; T100-I201 HydrophobicContact CG2-CD1 3.77Å |
| 101 | G | 81.4 | Confident | 70.6 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | 97.3 | -173.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T96 F97 L116 | T96-G101 PolarHBondContact O-N 3Å; F97-G101 VanDerWaalsContact O-CA 3.26Å; F97-G101 WeakPolarHBondContact O-CA 3.25Å; F97-G101 PolarHBondContact O-N 3.15Å; F97-G101 VanDerWaalsContact O-N 3.15Å; G101-L116 VanDerWaalsContact CA-O 3.24Å; G101-L116 WeakPolarHBondContact CA-O 3.31Å |
| 102 | E | 72.1 | Confident | 69.3 | Low | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | trans | -85.8 | 146.2 | 169.2 | -85.8 | 169.2 | -158.2 | 0 | 0 | 110.9 | F97 S104 L116 | F97-E102 HydrophobicContact CD2-CG 3.98Å; F97-E102 HydrophobicContact CE2-CB 4.46Å; F97-E102 HydrophobicContact CE2-CG 3.91Å; E102-S104 PolarHBondContact O-N 2.74Å; E102-L116 HydrophobicContact CB-CB 4.29Å; E102-L116 HydrophobicContact CB-CD1 4.25Å | ||
| 103 | R | 59 | Low | 68.4 | Low | 150 Ų | 150 | 80.9 Ų | 80.9 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | trans | -69.7 | 124.2 | 170.1 | -79.8 | -177 | 170.5 | 163.1 | -3.2 | 109.2 | I201 | R103-I201 VanDerWaalsContact NH2-CG2 3.32Š| ||
| 104 | S | 50.5 | Low | 67.4 | Low | 52 Ų | 52 | 82 Ų | 82 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | trans | -112.4 | 110.9 | 165.7 | -180 | 0 | 0 | 0 | 0 | 107.9 | E102 K106 | E102-S104 PolarHBondContact O-N 2.74Å; S104-K106 PolarHBondContact O-N 3.37Å | ||
| 105 | D | 50.8 | Low | 66.5 | Low | 154 Ų | 154 | 85.5 Ų | 85.5 | 82% | 0.824 | 41% | 0.413 | S | S | * | . | trans | -69.8 | 20.2 | -179.6 | -54.2 | -40.6 | 0 | 0 | 0 | 113.3 | ||||
| 106 | K | 46.5 | Very low | 65.8 | Low | 144 Ų | 144 | 87.8 Ų | 87.8 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | trans | -113.8 | 87 | -177.5 | -66 | -178.4 | -179.1 | 177.5 | 0 | 109.4 | S104 R108 Y109 | S104-K106 PolarHBondContact O-N 3.37Å; K106-R108 PolarHBondContact O-N 2.81Å; K106-Y109 HydrophobicContact CB-CD2 4.42Å; K106-Y109 HydrophobicContact CB-CE2 4.09Å | ||
| 107 | L | 44.1 | Very low | 65.5 | Low | 157 Ų | 157 | 85.8 Ų | 85.8 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 47.4 | 177.2 | -69.8 | 158.4 | 0 | 0 | 0 | 114.6 | ||
| 108 | R | 48.6 | Very low | 65.5 | Low | 236 Ų | 236 | 82.6 Ų | 82.6 | 89% | 0.891 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.6 | 16.5 | -173.2 | -69.5 | -163.1 | 176.5 | -165.7 | -1.7 | 115.8 | K106 | K106-R108 PolarHBondContact O-N 2.81Š|
| 109 | Y | 46.6 | Very low | 65.5 | Low | 133 Ų | 133 | 82.8 Ų | 82.8 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | trans | -112.2 | 127.3 | 174.4 | -66.8 | -74.1 | 0 | 0 | 0 | 111 | K106 | K106-Y109 HydrophobicContact CB-CD2 4.42Å; K106-Y109 HydrophobicContact CB-CE2 4.09Å | ||
| 110 | E | 55.2 | Low | 65.4 | Low | 140 Ų | 140 | 83.1 Ų | 83.1 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | trans | -69.2 | 145.7 | 170.2 | -65.8 | 173.2 | 166.9 | 0 | 0 | 109.3 | E112 T113 D114 | E110-E112 PolarHBondContact O-N 3.29Å; E110-E112 VanDerWaalsContact O-N 3.1Å; E110-T113 HydrophobicContact CB-CG2 4.22Å; E110-T113 PolarHBondContact N-OG1 3.36Å; E110-T113 WeakPolarHBondContact O-CA 3.26Å; E110-T113 PolarHBondContact O-N 3.21Å; E110-T113 PolarHBondContact O-OG1 2.98Å; E110-D114 PolarHBondContact O-N 3.24Å | ||
| 111 | W | 57.5 | Low | 65.4 | Low | 17 Ų | 17 | 82 Ų | 82 | 6% | 0.064 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33 | -174.4 | 71.4 | -76.2 | 0 | 0 | 0 | 114.4 | Y66 T113 R122 S125 H126 E129 | Y66-W111 HydrophobicContact CD1-CZ3 4.44Å; Y66-W111 HydrophobicContact CE1-CH2 4.48Å; Y66-W111 AromaticContact CE1-CZ3 3.93Å; Y66-W111 HydrophobicContact CE1-CZ3 3.93Å; W111-T113 VanDerWaalsContact C-N 3.34Å; W111-R122 HydrophobicContact CE3-CB 3.81Å; W111-R122 HydrophobicContact CE3-CG 3.9Å; W111-R122 HydrophobicContact CZ3-CB 4.18Å; W111-R122 PolarHBondContact O-NH1 2.75Å; W111-S125 VanDerWaalsContact CD1-CB 3.47Å; W111-S125 PolarHBondContact NE1-OG 2.67Å; W111-H126 HydrophobicContact CH2-CB 3.69Å; W111-H126 HydrophobicContact CZ2-CB 3.99Å; W111-H126 HydrophobicContact CZ3-CB 4.15Å; W111-E129 WeakPolarHBondContact CZ2-OE2 3.48Å; W111-E129 PolarHBondContact NE1-OE1 3.45Å |
| 112 | E | 57.2 | Low | 65.7 | Low | 121 Ų | 121 | 81.3 Ų | 81.3 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -35.8 | 174.3 | -62.6 | -151.1 | 121.5 | 0 | 0 | 112.5 | E110 | E110-E112 PolarHBondContact O-N 3.29Å; E110-E112 VanDerWaalsContact O-N 3.1Å |
| 113 | T | 62 | Low | 66.5 | Low | 78 Ų | 78 | 75.8 Ų | 75.8 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -30.6 | -172.1 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | E110 W111 P115 | E110-T113 HydrophobicContact CB-CG2 4.22Å; E110-T113 PolarHBondContact N-OG1 3.36Å; E110-T113 WeakPolarHBondContact O-CA 3.26Å; E110-T113 PolarHBondContact O-N 3.21Å; E110-T113 PolarHBondContact O-OG1 2.98Å; W111-T113 VanDerWaalsContact C-N 3.34Å; T113-P115 VanDerWaalsContact O-CD 3.29Å; T113-P115 WeakPolarHBondContact O-CD 3.3Å |
| 114 | D | 66.1 | Low | 67.8 | Low | 26 Ų | 26 | 68.6 Ų | 68.6 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | trans | -67.1 | 118.1 | 175.4 | -177.9 | -0.4 | 0 | 0 | 0 | 110.2 | E110 L116 A117 R122 | E110-D114 PolarHBondContact O-N 3.24Å; D114-L116 VanDerWaalsContact C-N 3.3Å; D114-L116 PolarHBondContact O-N 3.38Å; D114-L116 WeakPolarHBondContact OD1-CA 3.49Å; D114-L116 WeakPolarHBondContact OD1-CB 3.4Å; D114-L116 PolarHBondContact OD1-N 3.33Å; D114-A117 HydrophobicContact CB-CB 4.13Å; D114-A117 PolarHBondContact OD1-N 3.47Å; D114-A117 WeakPolarHBondContact OD2-CB 3.4Å; D114-A117 PolarHBondContact OD2-N 2.93Å; D114-R122 PolarHBondContact O-NH2 3.1Å | ||
| 115 | P | 69.3 | Low | 69.4 | Low | 89 Ų | 89 | 66.4 Ų | 66.4 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -76.4 | -13.4 | 177 | 31.6 | -34.2 | 0 | 0 | 0 | 114 | Q62 T113 | Q62-P115 WeakPolarHBondContact CG-O 3.18Å; T113-P115 VanDerWaalsContact O-CD 3.29Å; T113-P115 WeakPolarHBondContact O-CD 3.3Å |
| 116 | L | 75.4 | Confident | 71.1 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -102.8 | -28.1 | -171.7 | -61.4 | 179.7 | 0 | 0 | 0 | 114.2 | Q62 G101 E102 D114 G118 | Q62-L116 PolarHBondContact NE2-O 3.05Å; G101-L116 VanDerWaalsContact CA-O 3.24Å; G101-L116 WeakPolarHBondContact CA-O 3.31Å; E102-L116 HydrophobicContact CB-CB 4.29Å; E102-L116 HydrophobicContact CB-CD1 4.25Å; D114-L116 VanDerWaalsContact C-N 3.3Å; D114-L116 PolarHBondContact O-N 3.38Å; D114-L116 WeakPolarHBondContact OD1-CA 3.49Å; D114-L116 WeakPolarHBondContact OD1-CB 3.4Å; D114-L116 PolarHBondContact OD1-N 3.33Å; L116-G118 PolarHBondContact O-N 3.35Å |
| 117 | A | 80.1 | Confident | 73.1 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -50.2 | 131.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q62 D114 P121 R122 | Q62-A117 VanDerWaalsContact CB-O 3.27Å; Q62-A117 WeakPolarHBondContact CB-O 3.39Å; Q62-A117 WeakPolarHBondContact CG-O 3.41Å; Q62-A117 PolarHBondContact NE2-O 3.45Å; D114-A117 HydrophobicContact CB-CB 4.13Å; D114-A117 PolarHBondContact OD1-N 3.47Å; D114-A117 WeakPolarHBondContact OD2-CB 3.4Å; D114-A117 PolarHBondContact OD2-N 2.93Å; A117-P121 HydrophobicContact CB-CG 4.03Å; A117-R122 VanDerWaalsContact O-CZ 3.24Å; A117-R122 PolarHBondContact O-NE 3.02Å; A117-R122 PolarHBondContact O-NH2 3.27Å |
| 118 | G | 87.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | -84.6 | -165 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | M99 T100 L116 R122 | M99-G118 CarbonylContact O-C 3.5Å; T100-G118 WeakPolarHBondContact O-CA 3.3Å; T100-G118 PolarHBondContact O-N 3.4Å; L116-G118 PolarHBondContact O-N 3.35Å; G118-R122 WeakPolarHBondContact O-CD 3.27Å; G118-R122 WeakPolarHBondContact O-CG 3.39Å | ||
| 119 | I | 91.1 | Very high | 76.9 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | -177.8 | -73.5 | 171.9 | 0 | 0 | 0 | 112.9 | V70 I85 T98 M99 R122 V123 L256 I326 | V70-I119 HydrophobicContact CG1-CG2 4.13Å; V70-I119 HydrophobicContact CG2-CD1 3.83Å; V70-I119 HydrophobicContact CG2-CG1 4Å; V70-I119 HydrophobicContact CG2-CG2 4.12Å; I85-I119 HydrophobicContact CD1-CG2 4.5Å; I85-I119 HydrophobicContact CG2-CD1 4.43Å; T98-I119 HydrophobicContact CG2-CD1 3.77Å; T98-I119 HydrophobicContact CG2-CG1 4.49Å; T98-I119 WeakPolarHBondContact O-CG1 3.37Å; T98-I119 PolarHBondContact O-N 3.46Å; M99-I119 PolarHBondContact O-N 3.33Å; M99-I119 HydrophobicContact SD-CD1 4.19Å; I119-R122 PolarHBondContact O-N 2.87Å; I119-V123 HydrophobicContact CG2-CG2 3.74Å; I119-V123 WeakPolarHBondContact O-CB 3.3Å; I119-V123 VanDerWaalsContact O-CG2 3.28Å; I119-V123 WeakPolarHBondContact O-CG2 3.43Å; I119-V123 PolarHBondContact O-N 2.87Å; I119-L256 HydrophobicContact CG2-CD1 4.47Å; I119-L256 HydrophobicContact CG2-CD2 3.98Å; I119-I326 HydrophobicContact CD1-CD1 3.46Å; I119-I326 VanDerWaalsContact CD1-CD1 3.46Å |
| 120 | I | 88.8 | Confident | 78.9 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.2 | -54.8 | -172.9 | -61.6 | 160.4 | 0 | 0 | 0 | 112.9 | M99 R122 V123 L124 I197 F231 L256 | M99-I120 HydrophobicContact CB-CD1 4.21Å; M99-I120 VanDerWaalsContact O-CG1 3.31Å; M99-I120 WeakPolarHBondContact O-CG1 3.22Å; M99-I120 PolarHBondContact O-N 2.98Å; I120-R122 PolarHBondContact O-N 3.44Å; I120-V123 PolarHBondContact O-N 3.37Å; I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 PolarHBondContact O-N 2.91Å; I120-I197 HydrophobicContact CG2-CD1 3.75Å; I120-I197 HydrophobicContact CG2-CG1 4.27Å; I120-F231 HydrophobicContact CD1-CB 4.49Å; I120-F231 HydrophobicContact CG2-CD1 4.06Å; I120-F231 HydrophobicContact CG2-CE1 4.13Å; I120-F231 HydrophobicContact CG2-CG 4.3Å; I120-F231 HydrophobicContact CG2-CZ 4.43Å; I120-L256 HydrophobicContact CB-CD1 4.15Å; I120-L256 HydrophobicContact CG1-CB 4.19Å; I120-L256 HydrophobicContact CG1-CD1 3.63Å; I120-L256 HydrophobicContact CG2-CD1 4.36Å |
| 121 | P | 84.4 | Confident | 80.3 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 178.8 | 24.8 | -34.7 | 0 | 0 | 0 | 112.9 | A117 L124 S125 Y194 | A117-P121 HydrophobicContact CB-CG 4.03Å; P121-L124 PolarHBondContact O-N 2.89Å; P121-S125 PolarHBondContact O-N 3.06Å; P121-Y194 HydrophobicContact CB-CE1 3.96Å |
| 122 | R | 87 | Confident | 81.6 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 177.1 | -63 | 179.3 | -172.4 | -73 | -12.9 | 112.3 | Y66 W111 D114 A117 G118 I119 I120 L124 H126 | Y66-R122 HydrophobicContact CD1-CB 4.44Å; Y66-R122 HydrophobicContact CD2-CB 3.51Å; Y66-R122 HydrophobicContact CD2-CG 4.37Å; Y66-R122 HydrophobicContact CE1-CB 4.4Å; Y66-R122 HydrophobicContact CE2-CB 3.45Å; Y66-R122 VanDerWaalsContact CE2-CB 3.45Å; Y66-R122 HydrophobicContact CG-CB 4.04Å; Y66-R122 PolarHBondContact OH-O 2.9Å; W111-R122 HydrophobicContact CE3-CB 3.81Å; W111-R122 HydrophobicContact CE3-CG 3.9Å; W111-R122 HydrophobicContact CZ3-CB 4.18Å; W111-R122 PolarHBondContact O-NH1 2.75Å; D114-R122 PolarHBondContact O-NH2 3.1Å; A117-R122 VanDerWaalsContact O-CZ 3.24Å; A117-R122 PolarHBondContact O-NE 3.02Å; A117-R122 PolarHBondContact O-NH2 3.27Å; G118-R122 WeakPolarHBondContact O-CD 3.27Å; G118-R122 WeakPolarHBondContact O-CG 3.39Å; I119-R122 PolarHBondContact O-N 2.87Å; I120-R122 PolarHBondContact O-N 3.44Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 3.43Å; R122-H126 VanDerWaalsContact O-CB 3.26Å; R122-H126 WeakPolarHBondContact O-CB 3.34Å; R122-H126 PolarHBondContact O-N 3.39Å |
| 123 | V | 89.5 | Confident | 83 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -52.4 | -53.6 | 173.8 | 159.9 | 0 | 0 | 0 | 0 | 109.7 | Y66 V70 I74 I119 I120 L127 L254 L256 | Y66-V123 HydrophobicContact CE2-CG2 4.01Å; V70-V123 HydrophobicContact CG1-CG2 3.42Å; V70-V123 VanDerWaalsContact CG1-CG2 3.42Å; I74-V123 HydrophobicContact CD1-CG1 4.1Å; I74-V123 HydrophobicContact CD1-CG2 4.4Å; I119-V123 HydrophobicContact CG2-CG2 3.74Å; I119-V123 WeakPolarHBondContact O-CB 3.3Å; I119-V123 VanDerWaalsContact O-CG2 3.28Å; I119-V123 WeakPolarHBondContact O-CG2 3.43Å; I119-V123 PolarHBondContact O-N 2.87Å; I120-V123 PolarHBondContact O-N 3.37Å; V123-L127 WeakPolarHBondContact O-CB 3.3Å; V123-L127 PolarHBondContact O-N 2.74Å; V123-L254 HydrophobicContact CG1-CD2 3.47Å; V123-L254 VanDerWaalsContact CG1-CD2 3.47Å; V123-L254 HydrophobicContact CG2-CD2 4.18Å; V123-L256 HydrophobicContact CB-CD1 4.3Å; V123-L256 HydrophobicContact CG1-CD1 4.25Å; V123-L256 HydrophobicContact CG2-CD1 4.17Å; V123-L256 HydrophobicContact CG2-CD2 4.48Å |
| 124 | L | 86.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -43.9 | -171.4 | -71.3 | 162.1 | 0 | 0 | 0 | 111.5 | I120 P121 R122 L127 F128 V142 V193 I197 F231 V233 | I120-L124 HydrophobicContact CG2-CD1 4.06Å; I120-L124 PolarHBondContact O-N 2.91Å; P121-L124 PolarHBondContact O-N 2.89Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 3.43Å; L124-L127 PolarHBondContact O-N 3.04Å; L124-F128 VanDerWaalsContact O-CD2 3.23Å; L124-F128 WeakPolarHBondContact O-CD2 3.47Å; L124-F128 PolarHBondContact O-N 2.9Å; L124-V142 HydrophobicContact CD2-CG1 4.31Å; L124-V193 HydrophobicContact CB-CG1 3.91Å; L124-V193 HydrophobicContact CB-CG2 3.92Å; L124-V193 HydrophobicContact CD1-CB 4.4Å; L124-V193 HydrophobicContact CD1-CG1 3.43Å; L124-V193 VanDerWaalsContact CD1-CG1 3.43Å; L124-V193 HydrophobicContact CD1-CG2 4.1Å; L124-V193 HydrophobicContact CD2-CG2 4.38Å; L124-V193 HydrophobicContact CG-CG1 4.27Å; L124-V193 HydrophobicContact CG-CG2 4.36Å; L124-I197 HydrophobicContact CD1-CD1 4.15Å; L124-F231 HydrophobicContact CD1-CE1 3.78Å; L124-F231 HydrophobicContact CD1-CZ 3.97Å; L124-V233 HydrophobicContact CD2-CG1 3.94Å; L124-V233 HydrophobicContact CD2-CG2 3.72Å; L124-V233 HydrophobicContact CG-CG2 4.46Å |
| 125 | S | 83.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 178.1 | -170.9 | 0 | 0 | 0 | 0 | 112.8 | W111 P121 L127 F128 E129 K190 | W111-S125 VanDerWaalsContact CD1-CB 3.47Å; W111-S125 PolarHBondContact NE1-OG 2.67Å; P121-S125 PolarHBondContact O-N 3.06Å; S125-L127 PolarHBondContact O-N 2.86Å; S125-F128 PolarHBondContact O-N 3.36Å; S125-E129 WeakPolarHBondContact O-CG 3.46Å; S125-E129 PolarHBondContact O-N 2.67Å; S125-E129 PolarHBondContact OG-OE1 2.82Å; S125-K190 WeakPolarHBondContact OG-CD 3.48Å; S125-K190 WeakPolarHBondContact OG-CE 3.29Å; S125-K190 PolarHBondContact OG-NZ 3.32Å; S125-K190 VanDerWaalsContact OG-NZ 3.08Å |
| 126 | H | 86.9 | Confident | 84.3 | Confident | 47 Ų | 47 | 30.8 Ų | 30.8 | 22% | 0.218 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.2 | -176.7 | -146.7 | 0 | 0 | 0 | 111.4 | Y66 W111 R122 F128 E129 T130 | Y66-H126 AromaticContact CZ-ND1 3.96Å; Y66-H126 WeakPolarHBondContact OH-CB 3.33Å; Y66-H126 PolarHBondContact OH-ND1 2.79Å; W111-H126 HydrophobicContact CH2-CB 3.69Å; W111-H126 HydrophobicContact CZ2-CB 3.99Å; W111-H126 HydrophobicContact CZ3-CB 4.15Å; R122-H126 VanDerWaalsContact O-CB 3.26Å; R122-H126 WeakPolarHBondContact O-CB 3.34Å; R122-H126 PolarHBondContact O-N 3.39Å; H126-F128 PolarHBondContact O-N 2.91Å; H126-E129 WeakPolarHBondContact O-CB 3.45Å; H126-E129 PolarHBondContact O-N 3.38Å; H126-T130 PolarHBondContact O-N 3.25Å; H126-T130 PolarHBondContact O-OG1 2.87Å |
| 127 | L | 89 | Confident | 84.8 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 175 | 174.4 | 66.7 | 0 | 0 | 0 | 112 | I74 I78 V123 L124 S125 E129 T130 L131 V233 V235 | I74-L127 HydrophobicContact CG2-CB 4.34Å; I74-L127 HydrophobicContact CG2-CD1 4.1Å; I78-L127 HydrophobicContact CD1-CD1 4.29Å; I78-L127 HydrophobicContact CG1-CD1 4.25Å; V123-L127 WeakPolarHBondContact O-CB 3.3Å; V123-L127 PolarHBondContact O-N 2.74Å; L124-L127 PolarHBondContact O-N 3.04Å; S125-L127 PolarHBondContact O-N 2.86Å; L127-E129 VanDerWaalsContact C-N 3.32Å; L127-E129 PolarHBondContact O-N 3.31Å; L127-T130 PolarHBondContact O-N 3.01Å; L127-L131 HydrophobicContact CD1-CD1 3.83Å; L127-L131 HydrophobicContact CD1-CG 4.02Å; L127-L131 HydrophobicContact CG-CD1 3.84Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 VanDerWaalsContact O-CB 3.28Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 3.5Å; L127-V233 HydrophobicContact CD2-CG1 3.8Å; L127-V235 HydrophobicContact CD1-CG2 4.13Å; L127-V235 HydrophobicContact CD2-CG2 3.7Å; L127-V235 HydrophobicContact CG-CG2 4.46Å |
| 128 | F | 86.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 175.9 | -88.1 | -70.5 | 0 | 0 | 0 | 111.7 | L124 S125 H126 Q132 F138 V140 V187 L188 D189 K190 V193 | L124-F128 VanDerWaalsContact O-CD2 3.23Å; L124-F128 WeakPolarHBondContact O-CD2 3.47Å; L124-F128 PolarHBondContact O-N 2.9Å; S125-F128 PolarHBondContact O-N 3.36Å; H126-F128 PolarHBondContact O-N 2.91Å; F128-Q132 VanDerWaalsContact O-CB 3.3Å; F128-Q132 WeakPolarHBondContact O-CB 3.42Å; F128-Q132 WeakPolarHBondContact O-CG 3.49Å; F128-Q132 PolarHBondContact O-N 3.3Å; F128-F138 AromaticContact CD1-CE2 3.93Å; F128-F138 HydrophobicContact CD1-CE2 3.93Å; F128-F138 HydrophobicContact CD1-CZ 4.3Å; F128-F138 AromaticContact CE1-CE2 3.93Å; F128-F138 HydrophobicContact CE1-CE2 3.93Å; F128-V140 HydrophobicContact CE1-CB 4.39Å; F128-V140 HydrophobicContact CE1-CG2 3.99Å; F128-V140 HydrophobicContact CZ-CB 3.99Å; F128-V140 HydrophobicContact CZ-CG1 4.38Å; F128-V140 HydrophobicContact CZ-CG2 3.99Å; F128-V187 HydrophobicContact CE2-CG1 4.17Å; F128-V187 HydrophobicContact CZ-CB 4.23Å; F128-V187 HydrophobicContact CZ-CG1 4.05Å; F128-L188 WeakPolarHBondContact CE1-O 3.38Å; F128-D189 WeakPolarHBondContact CE2-O 3.47Å; F128-K190 HydrophobicContact CB-CG 4.39Å; F128-K190 HydrophobicContact CD2-CG 4.45Å; F128-V193 HydrophobicContact CD2-CG2 4.34Å; F128-V193 HydrophobicContact CE2-CG2 3.7Å |
| 129 | E | 85.3 | Confident | 85.2 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.2 | -71.4 | 158.3 | -163.8 | 0 | 0 | 112.2 | W111 S125 H126 L127 L131 Q132 S133 K190 | W111-E129 WeakPolarHBondContact CZ2-OE2 3.48Å; W111-E129 PolarHBondContact NE1-OE1 3.45Å; S125-E129 WeakPolarHBondContact O-CG 3.46Å; S125-E129 PolarHBondContact O-N 2.67Å; S125-E129 PolarHBondContact OG-OE1 2.82Å; H126-E129 WeakPolarHBondContact O-CB 3.45Å; H126-E129 PolarHBondContact O-N 3.38Å; L127-E129 VanDerWaalsContact C-N 3.32Å; L127-E129 PolarHBondContact O-N 3.31Å; E129-L131 VanDerWaalsContact C-N 3.35Å; E129-L131 PolarHBondContact O-N 3.49Å; E129-Q132 PolarHBondContact O-N 3.47Å; E129-S133 PolarHBondContact O-N 3.09Å; E129-S133 PolarHBondContact O-OG 3.32Å; E129-K190 IonicContact OE1-NZ 3.25Å; E129-K190 PolarHBondContact OE1-NZ 3.16Å |
| 130 | T | 87.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 178.5 | -39.5 | 0 | 0 | 0 | 0 | 110.9 | I78 H126 L127 S133 N134 | I78-T130 HydrophobicContact CD1-CG2 3.5Å; I78-T130 VanDerWaalsContact CD1-CG2 3.5Å; H126-T130 PolarHBondContact O-N 3.25Å; H126-T130 PolarHBondContact O-OG1 2.87Å; L127-T130 PolarHBondContact O-N 3.01Å; T130-S133 WeakPolarHBondContact CA-OG 3.25Å; T130-S133 PolarHBondContact O-N 3.01Å; T130-S133 PolarHBondContact O-OG 3.01Å; T130-N134 WeakPolarHBondContact O-CB 3.49Å; T130-N134 PolarHBondContact O-N 3.14Å; T130-N134 PolarHBondContact O-ND2 3.3Å |
| 131 | L | 86.6 | Confident | 85.3 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 176.6 | -73.3 | 173.4 | 0 | 0 | 0 | 112.3 | I78 L127 E129 N134 F138 V140 V235 I237 | I78-L131 HydrophobicContact CD1-CD2 4.35Å; I78-L131 HydrophobicContact CG1-CD2 4.13Å; L127-L131 HydrophobicContact CD1-CD1 3.83Å; L127-L131 HydrophobicContact CD1-CG 4.02Å; L127-L131 HydrophobicContact CG-CD1 3.84Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 VanDerWaalsContact O-CB 3.28Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 3.5Å; E129-L131 VanDerWaalsContact C-N 3.35Å; E129-L131 PolarHBondContact O-N 3.49Å; L131-N134 PolarHBondContact O-N 2.86Å; L131-F138 HydrophobicContact CB-CD1 3.7Å; L131-F138 HydrophobicContact CB-CD2 4.25Å; L131-F138 HydrophobicContact CB-CE1 3.79Å; L131-F138 HydrophobicContact CB-CE2 4.33Å; L131-F138 HydrophobicContact CB-CG 3.96Å; L131-F138 HydrophobicContact CB-CZ 4.11Å; L131-F138 HydrophobicContact CD1-CB 4.41Å; L131-F138 HydrophobicContact CD1-CD2 3.88Å; L131-F138 HydrophobicContact CD1-CE2 4.31Å; L131-F138 HydrophobicContact CD1-CG 4.09Å; L131-F138 HydrophobicContact CD2-CB 4.15Å; L131-F138 HydrophobicContact CD2-CG 4.37Å; L131-F138 HydrophobicContact CG-CG 4.38Å; L131-V140 HydrophobicContact CD1-CG2 3.8Å; L131-V235 HydrophobicContact CD1-CG1 3.86Å; L131-V235 HydrophobicContact CD2-CG1 4.02Å; L131-I237 HydrophobicContact CD2-CD1 3.6Å; L131-I237 HydrophobicContact CD2-CG1 3.91Å |
| 132 | Q | 84.8 | Confident | 85.7 | Confident | 113 Ų | 113 | 40.8 Ų | 40.8 | 53% | 0.528 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.3 | -73.9 | 168.4 | 2 | 0 | 0 | 111.7 | F128 E129 N134 G135 F138 | F128-Q132 VanDerWaalsContact O-CB 3.3Å; F128-Q132 WeakPolarHBondContact O-CB 3.42Å; F128-Q132 WeakPolarHBondContact O-CG 3.49Å; F128-Q132 PolarHBondContact O-N 3.3Å; E129-Q132 PolarHBondContact O-N 3.47Å; Q132-N134 VanDerWaalsContact C-N 3.28Å; Q132-N134 PolarHBondContact O-N 3.43Å; Q132-G135 PolarHBondContact O-N 3Å; Q132-F138 HydrophobicContact CG-CE1 4.13Å; Q132-F138 HydrophobicContact CG-CZ 4.02Å |
| 133 | S | 84.8 | Confident | 85.9 | Confident | 93 Ų | 93 | 41 Ų | 41 | 65% | 0.65 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.4 | -25.7 | 176.4 | 68.5 | 0 | 0 | 0 | 0 | 114 | E129 T130 G135 | E129-S133 PolarHBondContact O-N 3.09Å; E129-S133 PolarHBondContact O-OG 3.32Å; T130-S133 WeakPolarHBondContact CA-OG 3.25Å; T130-S133 PolarHBondContact O-N 3.01Å; T130-S133 PolarHBondContact O-OG 3.01Å; S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.37Å |
| 134 | N | 79 | Confident | 86 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.9 | 179.8 | -74.9 | -22.5 | 0 | 0 | 0 | 113.9 | T130 L131 Q132 S136 | T130-N134 WeakPolarHBondContact O-CB 3.49Å; T130-N134 PolarHBondContact O-N 3.14Å; T130-N134 PolarHBondContact O-ND2 3.3Å; L131-N134 PolarHBondContact O-N 2.86Å; Q132-N134 VanDerWaalsContact C-N 3.28Å; Q132-N134 PolarHBondContact O-N 3.43Å; N134-S136 PolarHBondContact O-N 2.9Å; N134-S136 PolarHBondContact O-OG 2.73Å |
| 135 | G | 72.3 | Confident | 86.1 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 78% | 0.784 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q132 S133 | Q132-G135 PolarHBondContact O-N 3Å; S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.37Å |
| 136 | S | 75.1 | Confident | 86.4 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -105.9 | 142.5 | -174.1 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | N134 F138 | N134-S136 PolarHBondContact O-N 2.9Å; N134-S136 PolarHBondContact O-OG 2.73Å; S136-F138 WeakPolarHBondContact O-CD1 3.31Å; S136-F138 PolarHBondContact O-N 3.18Å; S136-F138 VanDerWaalsContact O-N 3.14Å |
| 137 | D | 84.4 | Confident | 86.4 | Confident | 101 Ų | 101 | 39.7 Ų | 39.7 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | trans | -54.4 | 117.7 | 173 | -83.6 | -13.5 | 0 | 0 | 0 | 110 | K238 | D137-K238 HydrophobicContact CB-CB 3.87Å; D137-K238 HydrophobicContact CB-CD 3.55Å; D137-K238 HydrophobicContact CB-CG 4.39Å; D137-K238 PolarHBondContact O-N 3.15Å; D137-K238 WeakPolarHBondContact OD2-CD 3.44Å; D137-K238 WeakPolarHBondContact OD2-CE 3.43Å; D137-K238 IonicContact OD2-NZ 2.96Å; D137-K238 PolarHBondContact OD2-NZ 3.01Å | ||
| 138 | F | 87.8 | Confident | 86 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 30% | 0.303 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.5 | -179.8 | 68.6 | -99.5 | 0 | 0 | 0 | 113.5 | F128 L131 Q132 S136 V140 H236 | F128-F138 AromaticContact CD1-CE2 3.93Å; F128-F138 HydrophobicContact CD1-CE2 3.93Å; F128-F138 HydrophobicContact CD1-CZ 4.3Å; F128-F138 AromaticContact CE1-CE2 3.93Å; F128-F138 HydrophobicContact CE1-CE2 3.93Å; L131-F138 HydrophobicContact CB-CD1 3.7Å; L131-F138 HydrophobicContact CB-CD2 4.25Å; L131-F138 HydrophobicContact CB-CE1 3.79Å; L131-F138 HydrophobicContact CB-CE2 4.33Å; L131-F138 HydrophobicContact CB-CG 3.96Å; L131-F138 HydrophobicContact CB-CZ 4.11Å; L131-F138 HydrophobicContact CD1-CB 4.41Å; L131-F138 HydrophobicContact CD1-CD2 3.88Å; L131-F138 HydrophobicContact CD1-CE2 4.31Å; L131-F138 HydrophobicContact CD1-CG 4.09Å; L131-F138 HydrophobicContact CD2-CB 4.15Å; L131-F138 HydrophobicContact CD2-CG 4.37Å; L131-F138 HydrophobicContact CG-CG 4.38Å; Q132-F138 HydrophobicContact CG-CE1 4.13Å; Q132-F138 HydrophobicContact CG-CZ 4.02Å; S136-F138 WeakPolarHBondContact O-CD1 3.31Å; S136-F138 PolarHBondContact O-N 3.18Å; S136-F138 VanDerWaalsContact O-N 3.14Å; F138-V140 HydrophobicContact CD2-CG2 4.27Å; F138-H236 CarbonylContact C-O 3.6Å; F138-H236 VanDerWaalsContact CA-O 3.23Å; F138-H236 WeakPolarHBondContact CA-O 3.38Å |
| 139 | S | 88.6 | Confident | 85.5 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 124.2 | 170 | -179.2 | 0 | 0 | 0 | 0 | 110 | H236 | S139-H236 PolarHBondContact N-O 2.75Å; S139-H236 PolarHBondContact O-N 2.98Å |
| 140 | V | 90.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.9 | 177.3 | -177 | 0 | 0 | 0 | 0 | 109.2 | F128 L131 F138 V142 V187 V233 | F128-V140 HydrophobicContact CE1-CB 4.39Å; F128-V140 HydrophobicContact CE1-CG2 3.99Å; F128-V140 HydrophobicContact CZ-CB 3.99Å; F128-V140 HydrophobicContact CZ-CG1 4.38Å; F128-V140 HydrophobicContact CZ-CG2 3.99Å; L131-V140 HydrophobicContact CD1-CG2 3.8Å; F138-V140 HydrophobicContact CD2-CG2 4.27Å; V140-V142 HydrophobicContact CG1-CG1 4.44Å; V140-V187 PolarHBondContact O-N 3.02Å; V140-V233 HydrophobicContact CG1-CG1 3.78Å |
| 141 | R | 91.9 | Very high | 85.1 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.5 | 172.2 | -70.3 | -167.8 | -78.9 | 177 | -12 | 109.8 | E184 V185 V186 T234 H236 | R141-E184 HydrophobicContact CB-CB 4.46Å; R141-E184 IonicContact CZ-OE2 3.8Å; R141-E184 IonicContact NE-OE2 2.7Å; R141-E184 PolarHBondContact NE-OE2 3.41Å; R141-E184 IonicContact NH1-OE2 2.68Å; R141-E184 PolarHBondContact NH1-OE2 3.19Å; R141-E184 IonicContact NH2-OE2 3.62Å; R141-V185 CarbonylContact C-O 3.51Å; R141-V185 WeakPolarHBondContact CA-O 3.47Å; R141-V186 HydrophobicContact CG-CG2 4.09Å; R141-T234 PolarHBondContact N-O 3.03Å; R141-T234 PolarHBondContact O-N 3.09Å; R141-H236 PolarHBondContact NE-NE2 3Å; R141-H236 PolarHBondContact NH2-CE1 3.41Å; R141-H236 VanDerWaalsContact NH2-CE1 3.34Å; R141-H236 PolarHBondContact NH2-NE2 3.08Å |
| 142 | V | 92.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.1 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 112 | L124 V140 L156 E184 V185 V187 V196 F231 T232 V233 | L124-V142 HydrophobicContact CD2-CG1 4.31Å; V140-V142 HydrophobicContact CG1-CG1 4.44Å; V142-L156 HydrophobicContact CG2-CD1 4.38Å; V142-E184 CarbonylContact O-C 3.55Å; V142-E184 WeakPolarHBondContact O-CA 3.48Å; V142-V185 HydrophobicContact CG2-CB 4.39Å; V142-V185 PolarHBondContact N-O 3.44Å; V142-V185 PolarHBondContact O-N 3Å; V142-V187 HydrophobicContact CB-CG2 4.22Å; V142-V187 HydrophobicContact CG1-CG2 3.86Å; V142-V187 HydrophobicContact CG2-CG2 3.47Å; V142-V187 VanDerWaalsContact CG2-CG2 3.47Å; V142-V196 HydrophobicContact CG2-CG1 3.7Å; V142-F231 HydrophobicContact CB-CE1 4.11Å; V142-F231 HydrophobicContact CB-CZ 3.86Å; V142-F231 HydrophobicContact CG1-CE1 3.92Å; V142-F231 HydrophobicContact CG1-CZ 3.95Å; V142-F231 HydrophobicContact CG2-CZ 4.18Å; V142-T232 CarbonylContact C-O 3.58Å; V142-T232 WeakPolarHBondContact CA-O 3.49Å; V142-V233 HydrophobicContact CG1-CG1 4.31Å; V142-V233 HydrophobicContact CG1-CG2 4.29Å |
| 143 | S | 91.4 | Very high | 85.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.7 | 168.7 | 62 | 0 | 0 | 0 | 0 | 109.7 | R183 T232 | S143-R183 WeakPolarHBondContact CB-O 3.41Å; S143-T232 PolarHBondContact N-O 2.96Å; S143-T232 PolarHBondContact O-N 3.19Å |
| 144 | F | 90.4 | Very high | 85.3 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 110.6 | -176.9 | -163.2 | -174.6 | 0 | 0 | 0 | 109.5 | L155 L156 F231 | F144-L155 HydrophobicContact CB-CB 4.14Å; F144-L155 HydrophobicContact CD1-CB 4.11Å; F144-L155 HydrophobicContact CD1-CD1 3.89Å; F144-L155 HydrophobicContact CD2-CD1 3.86Å; F144-L155 HydrophobicContact CE1-CD1 3.93Å; F144-L155 HydrophobicContact CE2-CD1 3.93Å; F144-L155 HydrophobicContact CG-CB 4.11Å; F144-L155 HydrophobicContact CG-CD1 3.85Å; F144-L155 HydrophobicContact CZ-CD1 3.95Å; F144-L155 WeakPolarHBondContact O-CB 3.41Å; F144-L155 PolarHBondContact O-N 2.89Å; F144-L156 HydrophobicContact CB-CD1 4.15Å; F144-L156 HydrophobicContact CB-CD2 4.08Å; F144-L156 HydrophobicContact CB-CG 3.85Å; F144-F231 HydrophobicContact CB-CD2 3.94Å; F144-F231 HydrophobicContact CB-CE2 4.41Å; F144-F231 AromaticContact CD1-CD2 3.81Å; F144-F231 HydrophobicContact CD1-CD2 3.81Å; F144-F231 HydrophobicContact CD1-CE2 4.3Å; F144-F231 HydrophobicContact CD2-CB 3.91Å; F144-F231 AromaticContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CG 4.38Å; F144-F231 HydrophobicContact CE1-CD2 4.24Å; F144-F231 HydrophobicContact CE2-CB 4.06Å; F144-F231 HydrophobicContact CE2-CD2 4.25Å; F144-F231 AromaticContact CG-CD2 3.63Å; F144-F231 HydrophobicContact CG-CD2 3.63Å; F144-F231 HydrophobicContact CG-CE2 4.37Å; F144-F231 HydrophobicContact CZ-CD2 4.44Å |
| 145 | L | 89.9 | Confident | 85.7 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.6 | -171.7 | 174 | 65.5 | 0 | 0 | 0 | 109.6 | L152 L165 V179 L182 S229 I230 L312 | L145-L152 HydrophobicContact CD1-CB 4.16Å; L145-L152 HydrophobicContact CD1-CD1 4.42Å; L145-L152 HydrophobicContact CD1-CD2 4.29Å; L145-L165 HydrophobicContact CD1-CD1 3.54Å; L145-V179 HydrophobicContact CD2-CG2 4.49Å; L145-L182 HydrophobicContact CB-CD1 4.25Å; L145-L182 HydrophobicContact CB-CD2 4.45Å; L145-L182 HydrophobicContact CD1-CD1 4.4Å; L145-S229 CarbonylContact O-C 3.59Å; L145-S229 WeakPolarHBondContact O-CA 3.24Å; L145-I230 HydrophobicContact CB-CB 4.36Å; L145-I230 HydrophobicContact CD2-CD1 4.46Å; L145-I230 PolarHBondContact N-O 3.28Å; L145-I230 PolarHBondContact O-N 2.68Å; L145-L312 HydrophobicContact CD2-CD1 3.74Å; L145-L312 HydrophobicContact CD2-CD2 4.18Å |
| 146 | E | 88 | Confident | 86.3 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139.1 | 169.1 | -178.8 | 158.4 | -129.6 | 0 | 0 | 110.8 | L152 F153 L155 R204 S227 H228 | E146-L152 WeakPolarHBondContact O-CA 3.32Å; E146-F153 HydrophobicContact CB-CB 4.45Å; E146-F153 PolarHBondContact N-O 2.96Å; E146-F153 PolarHBondContact O-N 2.79Å; E146-L155 HydrophobicContact CB-CD1 4.1Å; E146-L155 HydrophobicContact CB-CD2 4.09Å; E146-L155 HydrophobicContact CB-CG 4.04Å; E146-R204 VanDerWaalsContact OE1-CG 3.3Å; E146-R204 WeakPolarHBondContact OE1-CG 3.48Å; E146-R204 IonicContact OE1-CZ 2.68Å; E146-R204 IonicContact OE1-NE 2.71Å; E146-R204 PolarHBondContact OE1-NE 3.47Å; E146-R204 IonicContact OE1-NH2 2.67Å; E146-S227 WeakPolarHBondContact OE1-CB 3.47Å; E146-S227 PolarHBondContact OE1-OG 3.1Å; E146-H228 WeakPolarHBondContact CA-O 3.29Å |
| 147 | V | 86.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110 | 173.1 | -167 | 0 | 0 | 0 | 0 | 107.9 | E151 L152 S227 H228 I230 L312 | V147-E151 WeakPolarHBondContact CA-O 3.31Å; V147-L152 HydrophobicContact CB-CD2 4.19Å; V147-L152 HydrophobicContact CG1-CD2 3.97Å; V147-L152 HydrophobicContact CG2-CD2 3.68Å; V147-S227 WeakPolarHBondContact O-CA 3.35Å; V147-S227 WeakPolarHBondContact O-CB 3.47Å; V147-H228 HydrophobicContact CB-CB 4.17Å; V147-H228 HydrophobicContact CG2-CB 4.48Å; V147-H228 PolarHBondContact N-O 2.65Å; V147-H228 PolarHBondContact O-N 3.13Å; V147-I230 HydrophobicContact CG2-CD1 4.45Å; V147-L312 HydrophobicContact CG2-CD1 4.07Å |
| 148 | Y | 80.4 | Confident | 85.9 | Confident | 40 Ų | 40 | 27.2 Ų | 27.2 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131.5 | -180 | 176.6 | -112.1 | 0 | 0 | 0 | 110.2 | E150 E151 L211 R226 E277 I281 | Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.4Å; Y148-E151 PolarHBondContact N-O 2.84Å; Y148-E151 PolarHBondContact O-N 3.31Å; Y148-L211 HydrophobicContact CD1-CD1 3.96Å; Y148-L211 HydrophobicContact CE1-CD1 4.05Å; Y148-R226 HydrophobicContact CE2-CB 4.24Å; Y148-E277 HydrophobicContact CE2-CG 4.41Å; Y148-E277 VanDerWaalsContact OH-CD 3.3Å; Y148-E277 PolarHBondContact OH-OE1 3.22Å; Y148-I281 HydrophobicContact CE2-CD1 4.47Å |
| 149 | N | 76.1 | Confident | 84.7 | Confident | 67 Ų | 67 | 27.4 Ų | 27.4 | 36% | 0.358 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 47.2 | -177.9 | -163 | 95.5 | 0 | 0 | 0 | 112.7 | E151 | N149-E151 PolarHBondContact O-N 2.89Å; N149-E151 VanDerWaalsContact O-N 3.07Å |
| 150 | E | 83 | Confident | 83.3 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 15% | 0.15 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 21.9 | -174.3 | -75.6 | -66.5 | 134.2 | 0 | 0 | 115.2 | Y148 S284 S307 K308 | Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.4Å; E150-S284 WeakPolarHBondContact OE1-CB 3.24Å; E150-S307 WeakPolarHBondContact OE1-CB 3.49Å; E150-S307 PolarHBondContact OE1-OG 2.86Å; E150-S307 WeakPolarHBondContact OE2-CA 3.47Å; E150-K308 WeakPolarHBondContact O-CD 3.43Å; E150-K308 WeakPolarHBondContact O-CE 3.08Å; E150-K308 PolarHBondContact O-NZ 3.36Å; E150-K308 WeakPolarHBondContact OE2-CB 3.46Å; E150-K308 WeakPolarHBondContact OE2-CG 3.47Å; E150-K308 PolarHBondContact OE2-N 3.49Å |
| 151 | E | 83 | Confident | 81.8 | Confident | 52 Ų | 52 | 39 Ų | 39 | 24% | 0.243 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 155.7 | 170.6 | -75.9 | -58.6 | 137.5 | 0 | 0 | 112.3 | V147 Y148 N149 F153 K308 | V147-E151 WeakPolarHBondContact CA-O 3.31Å; Y148-E151 PolarHBondContact N-O 2.84Å; Y148-E151 PolarHBondContact O-N 3.31Å; N149-E151 PolarHBondContact O-N 2.89Å; N149-E151 VanDerWaalsContact O-N 3.07Å; E151-F153 HydrophobicContact CB-CE1 4.38Å; E151-F153 HydrophobicContact CB-CE2 3.75Å; E151-F153 HydrophobicContact CB-CZ 3.52Å; E151-K308 IonicContact OE1-NZ 2.73Å; E151-K308 PolarHBondContact OE1-NZ 2.92Å; E151-K308 IonicContact OE2-NZ 2.67Å; E151-K308 PolarHBondContact OE2-NZ 3.23Å |
| 152 | L | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.8 | -173.4 | -67.8 | -164.6 | 0 | 0 | 0 | 112.4 | L145 E146 V147 L165 I167 V179 K308 L312 | L145-L152 HydrophobicContact CD1-CB 4.16Å; L145-L152 HydrophobicContact CD1-CD1 4.42Å; L145-L152 HydrophobicContact CD1-CD2 4.29Å; E146-L152 WeakPolarHBondContact O-CA 3.32Å; V147-L152 HydrophobicContact CB-CD2 4.19Å; V147-L152 HydrophobicContact CG1-CD2 3.97Å; V147-L152 HydrophobicContact CG2-CD2 3.68Å; L152-L165 HydrophobicContact CB-CB 3.75Å; L152-L165 HydrophobicContact CB-CD1 4.39Å; L152-L165 HydrophobicContact CB-CG 4.36Å; L152-L165 HydrophobicContact CD1-CB 4.25Å; L152-L165 PolarHBondContact O-N 3.48Å; L152-I167 HydrophobicContact CD1-CD1 3.67Å; L152-I167 HydrophobicContact CD1-CG1 3.47Å; L152-I167 VanDerWaalsContact CD1-CG1 3.47Å; L152-I167 HydrophobicContact CG-CD1 4.38Å; L152-V179 HydrophobicContact CD1-CG1 4.05Å; L152-K308 HydrophobicContact CG-CD 4.25Å; L152-L312 HydrophobicContact CD1-CD1 4.35Å; L152-L312 HydrophobicContact CD2-CD1 3.85Å |
| 153 | F | 85.1 | Confident | 79.1 | Confident | 28 Ų | 28 | 42 Ų | 42 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.5 | -176 | -51.5 | -73 | 0 | 0 | 0 | 112.3 | E146 E151 V162 R164 | E146-F153 HydrophobicContact CB-CB 4.45Å; E146-F153 PolarHBondContact N-O 2.96Å; E146-F153 PolarHBondContact O-N 2.79Å; E151-F153 HydrophobicContact CB-CE1 4.38Å; E151-F153 HydrophobicContact CB-CE2 3.75Å; E151-F153 HydrophobicContact CB-CZ 3.52Å; F153-V162 HydrophobicContact CD1-CG1 3.39Å; F153-V162 HydrophobicContact CE1-CG1 3.53Å; F153-V162 HydrophobicContact CG-CG1 4.43Å; F153-R164 HydrophobicContact CE1-CG 4.42Å |
| 154 | D | 88 | Confident | 78.2 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 113.1 | 176 | -174.9 | -9.3 | 0 | 0 | 0 | 110.8 | L156 S157 L165 L182 R183 | D154-L156 PolarHBondContact O-N 2.99Å; D154-L156 WeakPolarHBondContact OD1-CA 3.1Å; D154-L156 PolarHBondContact OD1-N 3.41Å; D154-S157 PolarHBondContact O-N 3.27Å; D154-S157 PolarHBondContact O-OG 3.48Å; D154-S157 PolarHBondContact OD1-N 2.98Å; D154-L165 HydrophobicContact CB-CD1 4.1Å; D154-L165 HydrophobicContact CB-CD2 4.44Å; D154-L182 HydrophobicContact CB-CD1 4.23Å; D154-R183 WeakPolarHBondContact OD2-CB 3.47Å; D154-R183 PolarHBondContact OD2-N 3.49Å |
| 155 | L | 86.5 | Confident | 77.9 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8 | 178.6 | -62.4 | -179.9 | 0 | 0 | 0 | 113.5 | F144 E146 R203 R204 | F144-L155 HydrophobicContact CB-CB 4.14Å; F144-L155 HydrophobicContact CD1-CB 4.11Å; F144-L155 HydrophobicContact CD1-CD1 3.89Å; F144-L155 HydrophobicContact CD2-CD1 3.86Å; F144-L155 HydrophobicContact CE1-CD1 3.93Å; F144-L155 HydrophobicContact CE2-CD1 3.93Å; F144-L155 HydrophobicContact CG-CB 4.11Å; F144-L155 HydrophobicContact CG-CD1 3.85Å; F144-L155 HydrophobicContact CZ-CD1 3.95Å; F144-L155 WeakPolarHBondContact O-CB 3.41Å; F144-L155 PolarHBondContact O-N 2.89Å; E146-L155 HydrophobicContact CB-CD1 4.1Å; E146-L155 HydrophobicContact CB-CD2 4.09Å; E146-L155 HydrophobicContact CB-CG 4.04Å; L155-R203 WeakPolarHBondContact O-CD 3.49Å; L155-R204 HydrophobicContact CD1-CB 4.16Å; L155-R204 HydrophobicContact CD1-CG 4.48Å; L155-R204 HydrophobicContact CD2-CB 3.97Å |
| 156 | L | 86.4 | Confident | 77.7 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 7.7 | 176.9 | -51.3 | -173.5 | 0 | 0 | 0 | 113 | V142 F144 D154 R183 V185 V196 | V142-L156 HydrophobicContact CG2-CD1 4.38Å; F144-L156 HydrophobicContact CB-CD1 4.15Å; F144-L156 HydrophobicContact CB-CD2 4.08Å; F144-L156 HydrophobicContact CB-CG 3.85Å; D154-L156 PolarHBondContact O-N 2.99Å; D154-L156 WeakPolarHBondContact OD1-CA 3.1Å; D154-L156 PolarHBondContact OD1-N 3.41Å; L156-R183 WeakPolarHBondContact O-CD 3.41Å; L156-R183 PolarHBondContact O-NH1 3.29Å; L156-V185 HydrophobicContact CB-CG2 4.07Å; L156-V185 HydrophobicContact CD1-CB 4.3Å; L156-V185 HydrophobicContact CD1-CG2 3.79Å; L156-V196 HydrophobicContact CD1-CG1 3.65Å; L156-V196 HydrophobicContact CD2-CG1 3.66Å; L156-V196 HydrophobicContact CG-CG1 4.34Å |
| 157 | S | 81.3 | Confident | 77.6 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | trans | -56.6 | 143.1 | 176.6 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | D154 R203 | D154-S157 PolarHBondContact O-N 3.27Å; D154-S157 PolarHBondContact O-OG 3.48Å; D154-S157 PolarHBondContact OD1-N 2.98Å; S157-R203 PolarHBondContact O-NH1 3.37Å; S157-R203 PolarHBondContact OG-NE 3.38Å; S157-R203 PolarHBondContact OG-NH2 2.84Å | ||
| 158 | A | 68.1 | Low | 77.4 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 67% | 0.669 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -86.6 | -34.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 159 | T | 64.5 | Low | 77.3 | Confident | 73 Ų | 73 | 60 Ų | 60 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -77.2 | 151 | 173.8 | 45.2 | 0 | 0 | 0 | 0 | 110 | D161 R203 | T159-D161 PolarHBondContact O-N 3.34Å; T159-R203 PolarHBondContact O-NH1 3.06Å; T159-R203 PolarHBondContact O-NH2 3.28Å |
| 160 | E | 59.2 | Low | 77 | Confident | 178 Ų | 178 | 58.1 Ų | 58.1 | 83% | 0.832 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -73.3 | -21.3 | 173.3 | -64.2 | -171 | 158.4 | 0 | 0 | 112.2 | V162 R203 | E160-V162 PolarHBondContact O-N 3.45Å; E160-R203 PolarHBondContact O-NH2 3.29Å |
| 161 | D | 58.5 | Low | 76.2 | Confident | 113 Ų | 113 | 63.3 Ų | 63.3 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -55.5 | 130.1 | 177.2 | -61 | -65.6 | 0 | 0 | 0 | 113.5 | T159 T163 | T159-D161 PolarHBondContact O-N 3.34Å; D161-T163 VanDerWaalsContact C-N 3.27Å; D161-T163 HydrophobicContact CB-CG2 4.41Å; D161-T163 PolarHBondContact O-N 3.5Å |
| 162 | V | 63 | Low | 75.1 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | trans | -82.5 | 71 | 179.5 | -173 | 0 | 0 | 0 | 0 | 109.8 | F153 E160 R164 | F153-V162 HydrophobicContact CD1-CG1 3.39Å; F153-V162 HydrophobicContact CE1-CG1 3.53Å; F153-V162 HydrophobicContact CG-CG1 4.43Å; E160-V162 PolarHBondContact O-N 3.45Å; V162-R164 PolarHBondContact O-N 3.24Å | ||
| 163 | T | 65.3 | Low | 74.1 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 119.8 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | D161 | D161-T163 VanDerWaalsContact C-N 3.27Å; D161-T163 HydrophobicContact CB-CG2 4.41Å; D161-T163 PolarHBondContact O-N 3.5Å |
| 164 | R | 72.5 | Confident | 72.8 | Confident | 180 Ų | 180 | 81.2 Ų | 81.2 | 68% | 0.679 | 42% | 0.417 | S | S | * | . | B | Isolated β-bridge | trans | -71.7 | 129.4 | 176.5 | -57.5 | -179.4 | -168.3 | -175.3 | 4 | 110.7 | F153 V162 | F153-R164 HydrophobicContact CE1-CG 4.42Å; V162-R164 PolarHBondContact O-N 3.24Å |
| 165 | L | 84.2 | Confident | 71.5 | Confident | 5 Ų | 5 | 82.2 Ų | 82.2 | 3% | 0.026 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 150.6 | 179.8 | -50.4 | 173.8 | 0 | 0 | 0 | 111.9 | L145 L152 D154 V179 L182 | L145-L165 HydrophobicContact CD1-CD1 3.54Å; L152-L165 HydrophobicContact CB-CB 3.75Å; L152-L165 HydrophobicContact CB-CD1 4.39Å; L152-L165 HydrophobicContact CB-CG 4.36Å; L152-L165 HydrophobicContact CD1-CB 4.25Å; L152-L165 PolarHBondContact O-N 3.48Å; D154-L165 HydrophobicContact CB-CD1 4.1Å; D154-L165 HydrophobicContact CB-CD2 4.44Å; L165-V179 HydrophobicContact CB-CG1 3.68Å; L165-V179 HydrophobicContact CD1-CG1 3.85Å; L165-V179 HydrophobicContact CG-CG1 4.36Å; L165-L182 HydrophobicContact CD1-CB 4.15Å; L165-L182 HydrophobicContact CD1-CD1 4.09Å |
| 166 | T | 84.2 | Confident | 70.6 | Confident | 65 Ų | 65 | 83.4 Ų | 83.4 | 40% | 0.399 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 142 | -177.1 | 44.2 | 0 | 0 | 0 | 0 | 112.7 | Y168 K180 | T166-Y168 VanDerWaalsContact OG1-CE2 3.31Å; T166-Y168 WeakPolarHBondContact OG1-CE2 3.47Å; T166-Y168 PolarHBondContact OG1-OH 3.12Å; T166-Y168 VanDerWaalsContact OG1-OH 3.14Å; T166-K180 PolarHBondContact O-N 2.96Å |
| 167 | I | 86.3 | Confident | 70.3 | Confident | 19 Ų | 19 | 84.8 Ų | 84.8 | 10% | 0.097 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.1 | -170.5 | -52 | -179.3 | 0 | 0 | 0 | 111.4 | L152 V177 K308 R311 L312 | L152-I167 HydrophobicContact CD1-CD1 3.67Å; L152-I167 HydrophobicContact CD1-CG1 3.47Å; L152-I167 VanDerWaalsContact CD1-CG1 3.47Å; L152-I167 HydrophobicContact CG-CD1 4.38Å; I167-V177 HydrophobicContact CG2-CG1 3.23Å; I167-K308 HydrophobicContact CD1-CB 3.61Å; I167-K308 HydrophobicContact CD1-CD 3.94Å; I167-K308 HydrophobicContact CD1-CG 3.69Å; I167-R311 HydrophobicContact CG2-CB 4.49Å; I167-R311 PolarHBondContact O-NH1 3.29Å; I167-R311 PolarHBondContact O-NH2 2.81Å; I167-L312 HydrophobicContact CD1-CD2 4.39Å; I167-L312 HydrophobicContact CD1-CG 4.24Å |
| 168 | Y | 83.6 | Confident | 70.3 | Confident | 114 Ų | 114 | 87.9 Ų | 87.9 | 45% | 0.447 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.3 | 177.2 | -54.6 | -96.5 | 0 | 0 | 0 | 110.3 | T166 V177 I178 K180 | T166-Y168 VanDerWaalsContact OG1-CE2 3.31Å; T166-Y168 WeakPolarHBondContact OG1-CE2 3.47Å; T166-Y168 PolarHBondContact OG1-OH 3.12Å; T166-Y168 VanDerWaalsContact OG1-OH 3.14Å; Y168-V177 WeakPolarHBondContact O-CA 3.5Å; Y168-I178 PolarHBondContact N-O 2.9Å; Y168-I178 PolarHBondContact O-N 3.34Å; Y168-K180 HydrophobicContact CD2-CB 3.96Å; Y168-K180 HydrophobicContact CE2-CB 3.5Å; Y168-K180 VanDerWaalsContact CE2-CB 3.5Å; Y168-K180 HydrophobicContact CE2-CD 3.85Å; Y168-K180 HydrophobicContact CE2-CG 4.32Å |
| 169 | D | 77.1 | Confident | 71.2 | Confident | 64 Ų | 64 | 85.3 Ų | 85.3 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 136.6 | 173.7 | -57.4 | -7 | 0 | 0 | 0 | 108.4 | V171 R305 R311 | D169-V171 PolarHBondContact O-N 3.45Å; D169-R305 IonicContact OD2-CZ 2.67Å; D169-R305 IonicContact OD2-NE 2.71Å; D169-R305 IonicContact OD2-NH2 2.65Å; D169-R305 PolarHBondContact OD2-NH2 3.19Å; D169-R311 IonicContact OD1-CZ 3.46Å; D169-R311 IonicContact OD1-NE 3.2Å; D169-R311 IonicContact OD1-NH2 3.26Å; D169-R311 PolarHBondContact OD1-NH2 3.32Å |
| 170 | D | 70 | Confident | 72 | Confident | 27 Ų | 27 | 88.3 Ų | 88.3 | 14% | 0.144 | 44% | 0.444 | C | S | . | . | trans | -73.5 | 115.9 | -177.4 | -172.3 | -8.3 | 0 | 0 | 0 | 111.4 | N172 R173 S176 I178 | D170-N172 PolarHBondContact O-N 3.35Å; D170-N172 WeakPolarHBondContact OD1-CB 3.4Å; D170-N172 PolarHBondContact OD1-N 3.29Å; D170-N172 PolarHBondContact OD1-ND2 2.88Å; D170-R173 HydrophobicContact CB-CB 4.15Å; D170-R173 CarbonylContact O-C 3.54Å; D170-R173 PolarHBondContact O-N 3.41Å; D170-R173 WeakPolarHBondContact OD2-CB 3.39Å; D170-S176 WeakPolarHBondContact CB-OG 3.31Å; D170-S176 PolarHBondContact N-O 3.21Å; D170-I178 HydrophobicContact CB-CD1 3.9Å; D170-I178 HydrophobicContact CB-CG1 4.07Å | ||
| 171 | V | 65.9 | Low | 73.1 | Confident | 142 Ų | 142 | 82.7 Ų | 82.7 | 86% | 0.861 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.8 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 112 | D169 | D169-V171 PolarHBondContact O-N 3.45Š|
| 172 | N | 61.3 | Low | 74.4 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 78% | 0.781 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -18.4 | -178.4 | -51.3 | -70.5 | 0 | 0 | 0 | 113 | D170 | D170-N172 PolarHBondContact O-N 3.35Å; D170-N172 WeakPolarHBondContact OD1-CB 3.4Å; D170-N172 PolarHBondContact OD1-N 3.29Å; D170-N172 PolarHBondContact OD1-ND2 2.88Å |
| 173 | R | 64.6 | Low | 75.5 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 43% | 0.434 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -139.6 | 77.7 | -171.2 | -66.9 | -178.1 | 177.6 | -141 | 1.4 | 110.9 | D170 G175 S176 N359 | D170-R173 HydrophobicContact CB-CB 4.15Å; D170-R173 CarbonylContact O-C 3.54Å; D170-R173 PolarHBondContact O-N 3.41Å; D170-R173 WeakPolarHBondContact OD2-CB 3.39Å; R173-G175 PolarHBondContact O-N 2.87Å; R173-G175 VanDerWaalsContact O-N 3.13Å; R173-S176 WeakPolarHBondContact CB-OG 3.41Å; R173-S176 PolarHBondContact O-N 3.07Å; R173-S176 PolarHBondContact O-OG 3.43Å; R173-N359 PolarHBondContact NH1-OD1 3Å |
| 174 | K | 58.3 | Low | 76.6 | Confident | 195 Ų | 195 | 80.9 Ų | 80.9 | 85% | 0.848 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | 117.2 | 175.6 | -176.6 | -177.4 | 179.5 | -176.9 | 0 | 111.4 | ||
| 175 | G | 60.1 | Low | 77.4 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -10.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R173 | R173-G175 PolarHBondContact O-N 2.87Å; R173-G175 VanDerWaalsContact O-N 3.13Å |
| 176 | S | 68.8 | Low | 77.6 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 20% | 0.203 | 40% | 0.402 | C | S | . | . | trans | -106.1 | 163.5 | 174.3 | 74 | 0 | 0 | 0 | 0 | 112.4 | D170 R173 | D170-S176 WeakPolarHBondContact CB-OG 3.31Å; D170-S176 PolarHBondContact N-O 3.21Å; R173-S176 WeakPolarHBondContact CB-OG 3.41Å; R173-S176 PolarHBondContact O-N 3.07Å; R173-S176 PolarHBondContact O-OG 3.43Å | ||
| 177 | V | 79.9 | Confident | 77.8 | Confident | 36 Ų | 36 | 73.9 Ų | 73.9 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.8 | -161.4 | 166 | 0 | 0 | 0 | 0 | 111.1 | I167 Y168 R311 L312 | I167-V177 HydrophobicContact CG2-CG1 3.23Å; Y168-V177 WeakPolarHBondContact O-CA 3.5Å; V177-R311 WeakPolarHBondContact CG2-O 3.33Å; V177-L312 HydrophobicContact CG1-CD2 4.38Å |
| 178 | I | 81 | Confident | 77.6 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 44% | 0.436 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.2 | -177.4 | -58.7 | 175.2 | 0 | 0 | 0 | 109.8 | Y168 D170 | Y168-I178 PolarHBondContact N-O 2.9Å; Y168-I178 PolarHBondContact O-N 3.34Å; D170-I178 HydrophobicContact CB-CD1 3.9Å; D170-I178 HydrophobicContact CB-CG1 4.07Å |
| 179 | V | 86.2 | Confident | 77.4 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 108.3 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | L145 L152 L165 G181 L182 L312 | L145-V179 HydrophobicContact CD2-CG2 4.49Å; L152-V179 HydrophobicContact CD1-CG1 4.05Å; L165-V179 HydrophobicContact CB-CG1 3.68Å; L165-V179 HydrophobicContact CD1-CG1 3.85Å; L165-V179 HydrophobicContact CG-CG1 4.36Å; V179-G181 PolarHBondContact O-N 2.71Å; V179-L182 HydrophobicContact CB-CB 4.12Å; V179-L182 HydrophobicContact CB-CD2 4.29Å; V179-L182 HydrophobicContact CG1-CB 3.91Å; V179-L182 HydrophobicContact CG1-CD2 4.49Å; V179-L312 HydrophobicContact CG2-CD2 3.32Å |
| 180 | K | 82.9 | Confident | 77.3 | Confident | 137 Ų | 137 | 77 Ų | 77 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.6 | 177.9 | -173 | -178.1 | 178.1 | -177.1 | 0 | 109.9 | T166 Y168 | T166-K180 PolarHBondContact O-N 2.96Å; Y168-K180 HydrophobicContact CD2-CB 3.96Å; Y168-K180 HydrophobicContact CE2-CB 3.5Å; Y168-K180 VanDerWaalsContact CE2-CB 3.5Å; Y168-K180 HydrophobicContact CE2-CD 3.85Å; Y168-K180 HydrophobicContact CE2-CG 4.32Å |
| 181 | G | 80.5 | Confident | 77.6 | Confident | 60 Ų | 60 | 81.4 Ų | 81.4 | 62% | 0.619 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | -9.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V179 R183 | V179-G181 PolarHBondContact O-N 2.71Å; G181-R183 PolarHBondContact O-N 2.77Å |
| 182 | L | 86.6 | Confident | 78.3 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 123.1 | 176.8 | -179 | 60.2 | 0 | 0 | 0 | 110.5 | L145 D154 L165 V179 | L145-L182 HydrophobicContact CB-CD1 4.25Å; L145-L182 HydrophobicContact CB-CD2 4.45Å; L145-L182 HydrophobicContact CD1-CD1 4.4Å; D154-L182 HydrophobicContact CB-CD1 4.23Å; L165-L182 HydrophobicContact CD1-CB 4.15Å; L165-L182 HydrophobicContact CD1-CD1 4.09Å; V179-L182 HydrophobicContact CB-CB 4.12Å; V179-L182 HydrophobicContact CB-CD2 4.29Å; V179-L182 HydrophobicContact CG1-CB 3.91Å; V179-L182 HydrophobicContact CG1-CD2 4.49Å |
| 183 | R | 86.2 | Confident | 79 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 127.1 | 178.8 | -169 | -171.4 | -168.4 | 178.5 | 5.6 | 111.5 | S143 D154 L156 G181 V185 | S143-R183 WeakPolarHBondContact CB-O 3.41Å; D154-R183 WeakPolarHBondContact OD2-CB 3.47Å; D154-R183 PolarHBondContact OD2-N 3.49Å; L156-R183 WeakPolarHBondContact O-CD 3.41Å; L156-R183 PolarHBondContact O-NH1 3.29Å; G181-R183 PolarHBondContact O-N 2.77Å; R183-V185 HydrophobicContact CG-CG2 4.2Å |
| 184 | E | 88.1 | Confident | 79.6 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 125.5 | 160.6 | -67.1 | -178.2 | 166.7 | 0 | 0 | 109.4 | R141 V142 | R141-E184 HydrophobicContact CB-CB 4.46Å; R141-E184 IonicContact CZ-OE2 3.8Å; R141-E184 IonicContact NE-OE2 2.7Å; R141-E184 PolarHBondContact NE-OE2 3.41Å; R141-E184 IonicContact NH1-OE2 2.68Å; R141-E184 PolarHBondContact NH1-OE2 3.19Å; R141-E184 IonicContact NH2-OE2 3.62Å; V142-E184 CarbonylContact O-C 3.55Å; V142-E184 WeakPolarHBondContact O-CA 3.48Å |
| 185 | V | 89.1 | Confident | 80.6 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.3 | 174.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | R141 V142 L156 R183 V196 | R141-V185 CarbonylContact C-O 3.51Å; R141-V185 WeakPolarHBondContact CA-O 3.47Å; V142-V185 HydrophobicContact CG2-CB 4.39Å; V142-V185 PolarHBondContact N-O 3.44Å; V142-V185 PolarHBondContact O-N 3Å; L156-V185 HydrophobicContact CB-CG2 4.07Å; L156-V185 HydrophobicContact CD1-CB 4.3Å; L156-V185 HydrophobicContact CD1-CG2 3.79Å; R183-V185 HydrophobicContact CG-CG2 4.2Å; V185-V196 HydrophobicContact CG1-CG2 4.02Å |
| 186 | V | 89.2 | Confident | 81.7 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.4 | 171.4 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | R141 L188 | R141-V186 HydrophobicContact CG-CG2 4.09Å; V186-L188 HydrophobicContact CG1-CD2 4.19Å |
| 187 | V | 87.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123 | -175.5 | -163.6 | 0 | 0 | 0 | 0 | 107.6 | F128 V140 V142 D192 V193 | F128-V187 HydrophobicContact CE2-CG1 4.17Å; F128-V187 HydrophobicContact CZ-CB 4.23Å; F128-V187 HydrophobicContact CZ-CG1 4.05Å; V140-V187 PolarHBondContact O-N 3.02Å; V142-V187 HydrophobicContact CB-CG2 4.22Å; V142-V187 HydrophobicContact CG1-CG2 3.86Å; V142-V187 HydrophobicContact CG2-CG2 3.47Å; V142-V187 VanDerWaalsContact CG2-CG2 3.47Å; V187-D192 HydrophobicContact CG1-CB 3.62Å; V187-V193 HydrophobicContact CG1-CB 4.4Å; V187-V193 HydrophobicContact CG1-CG2 3.54Å |
| 188 | L | 84 | Confident | 82.1 | Confident | 129 Ų | 129 | 63 Ų | 63 | 68% | 0.675 | 33% | 0.328 | S | S | * | . | trans | -95.2 | -36.9 | -173.3 | -57.4 | -180 | 0 | 0 | 0 | 112.6 | F128 V186 D192 | F128-L188 WeakPolarHBondContact CE1-O 3.38Å; V186-L188 HydrophobicContact CG1-CD2 4.19Å; L188-D192 WeakPolarHBondContact CB-OD2 3.47Å; L188-D192 PolarHBondContact N-OD2 3.48Å | ||
| 189 | D | 78.6 | Confident | 82.2 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -142.7 | -168.7 | -177 | 63.2 | 43.1 | 0 | 0 | 0 | 112.5 | F128 D191 D192 V193 | F128-D189 WeakPolarHBondContact CE2-O 3.47Å; D189-D191 WeakPolarHBondContact OD1-CA 3.29Å; D189-D191 PolarHBondContact OD1-N 2.85Å; D189-D192 PolarHBondContact OD1-N 3.09Å; D189-V193 WeakPolarHBondContact O-CG2 3.37Å |
| 190 | K | 75.5 | Confident | 81.9 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 27% | 0.27 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.4 | -17.3 | -177.5 | -60.8 | 174.1 | 179.3 | -176.9 | 0 | 113.6 | S125 F128 E129 V193 Y194 | S125-K190 WeakPolarHBondContact OG-CD 3.48Å; S125-K190 WeakPolarHBondContact OG-CE 3.29Å; S125-K190 PolarHBondContact OG-NZ 3.32Å; S125-K190 VanDerWaalsContact OG-NZ 3.08Å; F128-K190 HydrophobicContact CB-CG 4.39Å; F128-K190 HydrophobicContact CD2-CG 4.45Å; E129-K190 IonicContact OE1-NZ 3.25Å; E129-K190 PolarHBondContact OE1-NZ 3.16Å; K190-V193 WeakPolarHBondContact O-CB 3.16Å; K190-Y194 WeakPolarHBondContact O-CD2 3.41Å; K190-Y194 WeakPolarHBondContact O-CE2 3.27Å |
| 191 | D | 76.5 | Confident | 81.6 | Confident | 119 Ų | 119 | 58.2 Ų | 58.2 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -90.3 | -36.6 | -178.9 | -63.6 | -28.1 | 0 | 0 | 0 | 110.2 | D189 V193 Y194 S195 | D189-D191 WeakPolarHBondContact OD1-CA 3.29Å; D189-D191 PolarHBondContact OD1-N 2.85Å; D191-V193 PolarHBondContact O-N 3.35Å; D191-Y194 PolarHBondContact O-N 3.11Å; D191-S195 PolarHBondContact O-N 3.26Å |
| 192 | D | 80.3 | Confident | 81.3 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -49.5 | -45.7 | 162.2 | -95 | -16.5 | 0 | 0 | 0 | 111 | V187 L188 D189 Y194 S195 V196 | V187-D192 HydrophobicContact CG1-CB 3.62Å; L188-D192 WeakPolarHBondContact CB-OD2 3.47Å; L188-D192 PolarHBondContact N-OD2 3.48Å; D189-D192 PolarHBondContact OD1-N 3.09Å; D192-Y194 PolarHBondContact O-N 2.98Å; D192-S195 PolarHBondContact O-N 3.36Å; D192-S195 PolarHBondContact O-OG 2.97Å; D192-V196 WeakPolarHBondContact O-CG2 3.33Å; D192-V196 PolarHBondContact O-N 3.18Å |
| 193 | V | 75.6 | Confident | 80.8 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.2 | -52.9 | 176.7 | 162.7 | 0 | 0 | 0 | 0 | 111.7 | L124 F128 V187 D189 K190 D191 S195 V196 I197 | L124-V193 HydrophobicContact CB-CG1 3.91Å; L124-V193 HydrophobicContact CB-CG2 3.92Å; L124-V193 HydrophobicContact CD1-CB 4.4Å; L124-V193 HydrophobicContact CD1-CG1 3.43Å; L124-V193 VanDerWaalsContact CD1-CG1 3.43Å; L124-V193 HydrophobicContact CD1-CG2 4.1Å; L124-V193 HydrophobicContact CD2-CG2 4.38Å; L124-V193 HydrophobicContact CG-CG1 4.27Å; L124-V193 HydrophobicContact CG-CG2 4.36Å; F128-V193 HydrophobicContact CD2-CG2 4.34Å; F128-V193 HydrophobicContact CE2-CG2 3.7Å; V187-V193 HydrophobicContact CG1-CB 4.4Å; V187-V193 HydrophobicContact CG1-CG2 3.54Å; D189-V193 WeakPolarHBondContact O-CG2 3.37Å; K190-V193 WeakPolarHBondContact O-CB 3.16Å; D191-V193 PolarHBondContact O-N 3.35Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.32Å; V193-V196 PolarHBondContact O-N 2.67Å; V193-V196 VanDerWaalsContact O-N 3.13Å; V193-I197 HydrophobicContact CG1-CD1 3.57Å; V193-I197 HydrophobicContact CG1-CG1 4.38Å; V193-I197 WeakPolarHBondContact O-CG1 3.42Å; V193-I197 PolarHBondContact O-N 3.08Å |
| 194 | Y | 76 | Confident | 80.2 | Confident | 78 Ų | 78 | 54 Ų | 54 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | -178.8 | -68.7 | -63.6 | 0 | 0 | 0 | 110.5 | P121 K190 D191 D192 V196 I197 E198 | P121-Y194 HydrophobicContact CB-CE1 3.96Å; K190-Y194 WeakPolarHBondContact O-CD2 3.41Å; K190-Y194 WeakPolarHBondContact O-CE2 3.27Å; D191-Y194 PolarHBondContact O-N 3.11Å; D192-Y194 PolarHBondContact O-N 2.98Å; Y194-V196 PolarHBondContact O-N 2.97Å; Y194-I197 PolarHBondContact O-N 2.81Å; Y194-E198 WeakPolarHBondContact O-CB 3.44Å; Y194-E198 WeakPolarHBondContact O-CG 3.02Å; Y194-E198 PolarHBondContact O-N 3.14Å |
| 195 | S | 80 | Confident | 79 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.4 | -33.5 | 175.8 | 89.8 | 0 | 0 | 0 | 0 | 113.3 | D191 D192 V193 R199 | D191-S195 PolarHBondContact O-N 3.26Å; D192-S195 PolarHBondContact O-N 3.36Å; D192-S195 PolarHBondContact O-OG 2.97Å; V193-S195 VanDerWaalsContact C-N 3.32Å; V193-S195 PolarHBondContact O-N 3.32Å; S195-R199 WeakPolarHBondContact O-CB 3.16Å; S195-R199 VanDerWaalsContact O-CG 3.28Å; S195-R199 WeakPolarHBondContact O-CG 3.42Å; S195-R199 PolarHBondContact O-N 3.21Å; S195-R199 PolarHBondContact O-NE 3.22Å; S195-R199 PolarHBondContact OG-NH2 3.46Å |
| 196 | V | 82.9 | Confident | 77.6 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -77.4 | -44.1 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V142 L156 V185 D192 V193 Y194 R199 G200 F231 | V142-V196 HydrophobicContact CG2-CG1 3.7Å; L156-V196 HydrophobicContact CD1-CG1 3.65Å; L156-V196 HydrophobicContact CD2-CG1 3.66Å; L156-V196 HydrophobicContact CG-CG1 4.34Å; V185-V196 HydrophobicContact CG1-CG2 4.02Å; D192-V196 WeakPolarHBondContact O-CG2 3.33Å; D192-V196 PolarHBondContact O-N 3.18Å; V193-V196 PolarHBondContact O-N 2.67Å; V193-V196 VanDerWaalsContact O-N 3.13Å; Y194-V196 PolarHBondContact O-N 2.97Å; V196-R199 VanDerWaalsContact CG2-NH2 3.32Å; V196-G200 PolarHBondContact O-N 2.82Å; V196-F231 HydrophobicContact CG1-CE2 4.43Å |
| 197 | I | 80.6 | Confident | 76.1 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 177 | -67.4 | 169.6 | 0 | 0 | 0 | 110.2 | I120 L124 V193 Y194 G200 I201 F231 | I120-I197 HydrophobicContact CG2-CD1 3.75Å; I120-I197 HydrophobicContact CG2-CG1 4.27Å; L124-I197 HydrophobicContact CD1-CD1 4.15Å; V193-I197 HydrophobicContact CG1-CD1 3.57Å; V193-I197 HydrophobicContact CG1-CG1 4.38Å; V193-I197 WeakPolarHBondContact O-CG1 3.42Å; V193-I197 PolarHBondContact O-N 3.08Å; Y194-I197 PolarHBondContact O-N 2.81Å; I197-G200 PolarHBondContact O-N 2.67Å; I197-I201 HydrophobicContact CG2-CD1 3.6Å; I197-I201 HydrophobicContact CG2-CG1 4.34Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.06Å; I197-F231 HydrophobicContact CG1-CE2 4.11Å; I197-F231 HydrophobicContact CG1-CZ 4.3Å |
| 198 | E | 78.1 | Confident | 74.6 | Confident | 110 Ų | 110 | 53.2 Ų | 53.2 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 178.4 | -74.7 | -179.5 | 169.1 | 0 | 0 | 112 | Y194 G200 I201 A202 | Y194-E198 WeakPolarHBondContact O-CB 3.44Å; Y194-E198 WeakPolarHBondContact O-CG 3.02Å; Y194-E198 PolarHBondContact O-N 3.14Å; E198-G200 VanDerWaalsContact C-N 3.33Å; E198-G200 PolarHBondContact O-N 2.65Å; E198-I201 PolarHBondContact O-N 2.89Å; E198-A202 VanDerWaalsContact O-CB 3.25Å; E198-A202 WeakPolarHBondContact O-CB 3.37Å; E198-A202 PolarHBondContact O-N 3.36Å |
| 199 | R | 82.7 | Confident | 72.9 | Confident | 115 Ų | 115 | 51.1 Ų | 51.1 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 174.4 | -80.9 | 178.8 | -72.6 | 159 | -10.9 | 111.8 | S195 V196 A202 R203 | S195-R199 WeakPolarHBondContact O-CB 3.16Å; S195-R199 VanDerWaalsContact O-CG 3.28Å; S195-R199 WeakPolarHBondContact O-CG 3.42Å; S195-R199 PolarHBondContact O-N 3.21Å; S195-R199 PolarHBondContact O-NE 3.22Å; S195-R199 PolarHBondContact OG-NH2 3.46Å; V196-R199 VanDerWaalsContact CG2-NH2 3.32Å; R199-A202 PolarHBondContact O-N 3.39Å; R199-R203 WeakPolarHBondContact O-CB 3.44Å; R199-R203 PolarHBondContact O-N 3.36Å |
| 200 | G | 79.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V196 I197 E198 R203 R204 | V196-G200 PolarHBondContact O-N 2.82Å; I197-G200 PolarHBondContact O-N 2.67Å; E198-G200 VanDerWaalsContact C-N 3.33Å; E198-G200 PolarHBondContact O-N 2.65Å; G200-R203 PolarHBondContact O-N 3.12Å; G200-R204 WeakPolarHBondContact O-CB 3.49Å; G200-R204 PolarHBondContact O-N 3.21Å |
| 201 | I | 76.2 | Confident | 70.4 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.6 | -43.3 | 176.7 | -62.1 | 166.7 | 0 | 0 | 0 | 110.6 | T100 R103 I197 E198 R203 R204 Q205 | T100-I201 HydrophobicContact CG2-CD1 3.77Å; R103-I201 VanDerWaalsContact NH2-CG2 3.32Å; I197-I201 HydrophobicContact CG2-CD1 3.6Å; I197-I201 HydrophobicContact CG2-CG1 4.34Å; I197-I201 VanDerWaalsContact O-CG1 3.28Å; I197-I201 WeakPolarHBondContact O-CG1 3.44Å; I197-I201 PolarHBondContact O-N 3.06Å; E198-I201 PolarHBondContact O-N 2.89Å; I201-R203 VanDerWaalsContact C-N 3.32Å; I201-R203 PolarHBondContact O-N 2.9Å; I201-R204 WeakPolarHBondContact O-CB 3.41Å; I201-R204 PolarHBondContact O-N 3.2Å; I201-Q205 HydrophobicContact CG2-CG 4.47Å; I201-Q205 WeakPolarHBondContact O-CG 3.45Å; I201-Q205 PolarHBondContact O-N 3.15Å |
| 202 | A | 74.1 | Confident | 69.1 | Low | 42 Ų | 42 | 50.7 Ų | 50.7 | 35% | 0.347 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E198 R199 Q205 T206 | E198-A202 VanDerWaalsContact O-CB 3.25Å; E198-A202 WeakPolarHBondContact O-CB 3.37Å; E198-A202 PolarHBondContact O-N 3.36Å; R199-A202 PolarHBondContact O-N 3.39Å; A202-Q205 CarbonylContact O-C 3.57Å; A202-Q205 WeakPolarHBondContact O-CB 3.43Å; A202-Q205 PolarHBondContact O-N 2.93Å; A202-T206 PolarHBondContact O-N 3.25Å; A202-T206 PolarHBondContact O-OG1 2.85Å; A202-T206 VanDerWaalsContact O-OG1 3.14Å |
| 203 | R | 76.8 | Confident | 67.4 | Low | 60 Ų | 60 | 52.1 Ų | 52.1 | 23% | 0.226 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 177.7 | -168.4 | 153.7 | 177.6 | 119.8 | 8.9 | 112.6 | L155 S157 T159 E160 R199 G200 I201 Q205 T206 A207 | L155-R203 WeakPolarHBondContact O-CD 3.49Å; S157-R203 PolarHBondContact O-NH1 3.37Å; S157-R203 PolarHBondContact OG-NE 3.38Å; S157-R203 PolarHBondContact OG-NH2 2.84Å; T159-R203 PolarHBondContact O-NH1 3.06Å; T159-R203 PolarHBondContact O-NH2 3.28Å; E160-R203 PolarHBondContact O-NH2 3.29Å; R199-R203 WeakPolarHBondContact O-CB 3.44Å; R199-R203 PolarHBondContact O-N 3.36Å; G200-R203 PolarHBondContact O-N 3.12Å; I201-R203 VanDerWaalsContact C-N 3.32Å; I201-R203 PolarHBondContact O-N 2.9Å; R203-Q205 VanDerWaalsContact C-N 3.31Å; R203-Q205 PolarHBondContact O-N 3.2Å; R203-T206 PolarHBondContact O-N 3.22Å; R203-A207 WeakPolarHBondContact O-CB 3.32Å; R203-A207 PolarHBondContact O-N 3.31Å |
| 204 | R | 73.2 | Confident | 65.8 | Low | 17 Ų | 17 | 60 Ų | 60 | 6% | 0.064 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 168.6 | -167.7 | 170.7 | -170.4 | -154.8 | -5.4 | 110.8 | E146 L155 G200 I201 A207 C208 S224 S227 S229 D258 | E146-R204 VanDerWaalsContact OE1-CG 3.3Å; E146-R204 WeakPolarHBondContact OE1-CG 3.48Å; E146-R204 IonicContact OE1-CZ 2.68Å; E146-R204 IonicContact OE1-NE 2.71Å; E146-R204 PolarHBondContact OE1-NE 3.47Å; E146-R204 IonicContact OE1-NH2 2.67Å; L155-R204 HydrophobicContact CD1-CB 4.16Å; L155-R204 HydrophobicContact CD1-CG 4.48Å; L155-R204 HydrophobicContact CD2-CB 3.97Å; G200-R204 WeakPolarHBondContact O-CB 3.49Å; G200-R204 PolarHBondContact O-N 3.21Å; I201-R204 WeakPolarHBondContact O-CB 3.41Å; I201-R204 PolarHBondContact O-N 3.2Å; R204-A207 PolarHBondContact O-N 2.89Å; R204-C208 PolarHBondContact O-N 3.48Å; R204-C208 VanDerWaalsContact O-N 3.14Å; R204-C208 PolarHBondContact O-SG 3.16Å; R204-S224 PolarHBondContact NH2-O 2.71Å; R204-S227 PolarHBondContact NH2-O 2.89Å; R204-S227 PolarHBondContact NH2-OG 2.94Å; R204-S229 PolarHBondContact NH1-OG 2.84Å; R204-D258 IonicContact NH1-OD2 3.96Å |
| 205 | Q | 63.5 | Low | 64.2 | Low | 51 Ų | 51 | 58.2 Ų | 58.2 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.8 | -68.5 | 170.6 | -25.4 | 0 | 0 | 112.2 | I201 A202 R203 C208 T209 L220 | I201-Q205 HydrophobicContact CG2-CG 4.47Å; I201-Q205 WeakPolarHBondContact O-CG 3.45Å; I201-Q205 PolarHBondContact O-N 3.15Å; A202-Q205 CarbonylContact O-C 3.57Å; A202-Q205 WeakPolarHBondContact O-CB 3.43Å; A202-Q205 PolarHBondContact O-N 2.93Å; R203-Q205 VanDerWaalsContact C-N 3.31Å; R203-Q205 PolarHBondContact O-N 3.2Å; Q205-C208 WeakPolarHBondContact O-CB 3.46Å; Q205-C208 PolarHBondContact O-N 2.79Å; Q205-T209 PolarHBondContact O-N 3.04Å; Q205-T209 PolarHBondContact O-OG1 2.99Å; Q205-L220 HydrophobicContact CB-CD1 4.14Å; Q205-L220 HydrophobicContact CG-CD1 3.83Å; Q205-L220 HydrophobicContact CG-CG 4.39Å |
| 206 | T | 59.6 | Low | 62.1 | Low | 79 Ų | 79 | 62.5 Ų | 62.5 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | A202 R203 C208 T209 L210 | A202-T206 PolarHBondContact O-N 3.25Å; A202-T206 PolarHBondContact O-OG1 2.85Å; A202-T206 VanDerWaalsContact O-OG1 3.14Å; R203-T206 PolarHBondContact O-N 3.22Å; T206-C208 VanDerWaalsContact C-N 3.28Å; T206-C208 PolarHBondContact O-N 2.99Å; T206-T209 PolarHBondContact O-N 3.34Å; T206-T209 VanDerWaalsContact O-N 3.14Å; T206-L210 HydrophobicContact CG2-CD1 4.09Å; T206-L210 PolarHBondContact O-N 3.14Å |
| 207 | A | 57.2 | Low | 59.8 | Low | 21 Ų | 21 | 66.3 Ų | 66.3 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R203 R204 T209 L210 L211 | R203-A207 WeakPolarHBondContact O-CB 3.32Å; R203-A207 PolarHBondContact O-N 3.31Å; R204-A207 PolarHBondContact O-N 2.89Å; A207-T209 VanDerWaalsContact C-N 3.34Å; A207-T209 PolarHBondContact O-N 2.94Å; A207-L210 PolarHBondContact O-N 2.93Å; A207-L211 WeakPolarHBondContact O-CB 3.29Å; A207-L211 WeakPolarHBondContact O-CG 3.33Å; A207-L211 PolarHBondContact O-N 3.07Å |
| 208 | C | 55.3 | Low | 57.6 | Low | 12 Ų | 12 | 68.2 Ų | 68.2 | 8% | 0.081 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 173.3 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | R204 Q205 T206 N212 T223 | R204-C208 PolarHBondContact O-N 3.48Å; R204-C208 VanDerWaalsContact O-N 3.14Å; R204-C208 PolarHBondContact O-SG 3.16Å; Q205-C208 WeakPolarHBondContact O-CB 3.46Å; Q205-C208 PolarHBondContact O-N 2.79Å; T206-C208 VanDerWaalsContact C-N 3.28Å; T206-C208 PolarHBondContact O-N 2.99Å; C208-N212 VanDerWaalsContact O-CB 3.32Å; C208-N212 WeakPolarHBondContact O-CB 3.45Å; C208-N212 PolarHBondContact O-N 3.44Å; C208-N212 VanDerWaalsContact O-N 3.16Å; C208-N212 PolarHBondContact O-ND2 3.14Å; C208-T223 HydrophobicContact CB-CG2 4.1Å; C208-T223 WeakPolarHBondContact CB-OG1 3.47Å; C208-T223 WeakPolarHBondContact SG-CB 3.26Å; C208-T223 PolarHBondContact SG-OG1 2.73Å |
| 209 | T | 49.3 | Very low | 55.7 | Low | 86 Ų | 86 | 67.6 Ų | 67.6 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 179.4 | -54 | 0 | 0 | 0 | 0 | 112.2 | Q205 T206 A207 A213 | Q205-T209 PolarHBondContact O-N 3.04Å; Q205-T209 PolarHBondContact O-OG1 2.99Å; T206-T209 PolarHBondContact O-N 3.34Å; T206-T209 VanDerWaalsContact O-N 3.14Å; A207-T209 VanDerWaalsContact C-N 3.34Å; A207-T209 PolarHBondContact O-N 2.94Å; T209-A213 PolarHBondContact O-N 3Å |
| 210 | L | 50.9 | Low | 53.7 | Low | 114 Ų | 114 | 66 Ų | 66 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.5 | -43.4 | -178.7 | -71.3 | 170.1 | 0 | 0 | 0 | 112.4 | T206 A207 A213 | T206-L210 HydrophobicContact CG2-CD1 4.09Å; T206-L210 PolarHBondContact O-N 3.14Å; A207-L210 PolarHBondContact O-N 2.93Å; L210-A213 WeakPolarHBondContact O-CB 3.06Å |
| 211 | L | 49.7 | Very low | 52.2 | Low | 95 Ų | 95 | 74.1 Ų | 74.1 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73 | -28.7 | -179.2 | -66.7 | 173 | 0 | 0 | 0 | 112.9 | Y148 A207 | Y148-L211 HydrophobicContact CD1-CD1 3.96Å; Y148-L211 HydrophobicContact CE1-CD1 4.05Å; A207-L211 WeakPolarHBondContact O-CB 3.29Å; A207-L211 WeakPolarHBondContact O-CG 3.33Å; A207-L211 PolarHBondContact O-N 3.07Å |
| 212 | N | 49.8 | Very low | 50.8 | Low | 34 Ų | 34 | 76.8 Ų | 76.8 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 8.4 | 179.3 | -69.9 | -82 | 0 | 0 | 0 | 114.3 | C208 Q214 S215 | C208-N212 VanDerWaalsContact O-CB 3.32Å; C208-N212 WeakPolarHBondContact O-CB 3.45Å; C208-N212 PolarHBondContact O-N 3.44Å; C208-N212 VanDerWaalsContact O-N 3.16Å; C208-N212 PolarHBondContact O-ND2 3.14Å; N212-Q214 PolarHBondContact O-N 3.42Å; N212-S215 PolarHBondContact O-N 3.44Å |
| 213 | A | 43.7 | Very low | 49.5 | Very low | 85 Ų | 85 | 75.4 Ų | 75.4 | 70% | 0.702 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -10 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T209 L210 | T209-A213 PolarHBondContact O-N 3Å; L210-A213 WeakPolarHBondContact O-CB 3.06Å |
| 214 | Q | 43.5 | Very low | 48.6 | Very low | 170 Ų | 170 | 74 Ų | 74 | 79% | 0.794 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 1.2 | 172.4 | -65 | -170.2 | -8.1 | 0 | 0 | 114.7 | N212 | N212-Q214 PolarHBondContact O-N 3.42Š|
| 215 | S | 41.5 | Very low | 48.1 | Very low | 42 Ų | 42 | 73.9 Ų | 73.9 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -137.2 | 107.1 | -179.4 | 164.8 | 0 | 0 | 0 | 0 | 110 | N212 T217 R274 | N212-S215 PolarHBondContact O-N 3.44Å; S215-T217 PolarHBondContact O-N 3.22Å; S215-R274 PolarHBondContact OG-NH2 3.36Å |
| 216 | S | 36.7 | Very low | 48.3 | Very low | 129 Ų | 129 | 74.1 Ų | 74.1 | 90% | 0.902 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -71.5 | 47.3 | -172.4 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 217 | T | 34.3 | Very low | 49.2 | Very low | 83 Ų | 83 | 70.4 Ų | 70.4 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | trans | -151.9 | 55.1 | -179.3 | -36.4 | 0 | 0 | 0 | 0 | 111.4 | S215 N219 | S215-T217 PolarHBondContact O-N 3.22Å; T217-N219 PolarHBondContact O-N 3.39Å | ||
| 218 | C | 34.9 | Very low | 50.6 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | trans | -82.5 | 78.6 | 179.2 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | L220 | C218-L220 PolarHBondContact O-N 3.02Š| ||
| 219 | N | 38 | Very low | 52.2 | Low | 96 Ų | 96 | 69.3 Ų | 69.3 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | trans | -72.7 | 120.6 | 167.7 | -91.2 | -43.4 | 0 | 0 | 0 | 110 | T217 F221 L222 | T217-N219 PolarHBondContact O-N 3.39Å; N219-F221 PolarHBondContact O-N 2.96Å; N219-L222 HydrophobicContact CB-CB 4.31Å; N219-L222 HydrophobicContact CB-CD1 3.86Å; N219-L222 HydrophobicContact CB-CG 3.82Å; N219-L222 PolarHBondContact O-N 3.1Å | ||
| 220 | L | 40 | Very low | 54.2 | Low | 82 Ų | 82 | 65.6 Ų | 65.6 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.2 | -27.6 | -175.7 | -154.2 | 67.3 | 0 | 0 | 0 | 114.4 | Q205 C218 | Q205-L220 HydrophobicContact CB-CD1 4.14Å; Q205-L220 HydrophobicContact CG-CD1 3.83Å; Q205-L220 HydrophobicContact CG-CG 4.39Å; C218-L220 PolarHBondContact O-N 3.02Å |
| 221 | F | 47.6 | Very low | 56.1 | Low | 171 Ų | 171 | 60.3 Ų | 60.3 | 75% | 0.75 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -83.9 | -19.6 | 178.3 | -63.5 | -78 | 0 | 0 | 0 | 114.6 | N219 S225 | N219-F221 PolarHBondContact O-N 2.96Å; F221-S225 WeakPolarHBondContact O-CB 3.31Å; F221-S225 PolarHBondContact O-OG 2.91Å |
| 222 | L | 47 | Very low | 58.2 | Low | 87 Ų | 87 | 56.4 Ų | 56.4 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -86.2 | -17.6 | -178.5 | -66.1 | -176.3 | 0 | 0 | 0 | 113.1 | N219 S225 R226 | N219-L222 HydrophobicContact CB-CB 4.31Å; N219-L222 HydrophobicContact CB-CD1 3.86Å; N219-L222 HydrophobicContact CB-CG 3.82Å; N219-L222 PolarHBondContact O-N 3.1Å; L222-S225 PolarHBondContact O-OG 2.91Å; L222-R226 VanDerWaalsContact O-CD 3.22Å; L222-R226 WeakPolarHBondContact O-CD 3.2Å; L222-R226 VanDerWaalsContact O-CG 3.27Å; L222-R226 WeakPolarHBondContact O-CG 3.42Å |
| 223 | T | 46.8 | Very low | 60.2 | Low | 13 Ų | 13 | 54.8 Ų | 54.8 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -97.7 | -42.2 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | C208 S225 R226 | C208-T223 HydrophobicContact CB-CG2 4.1Å; C208-T223 WeakPolarHBondContact CB-OG1 3.47Å; C208-T223 WeakPolarHBondContact SG-CB 3.26Å; C208-T223 PolarHBondContact SG-OG1 2.73Å; T223-S225 PolarHBondContact O-N 2.82Å; T223-S225 VanDerWaalsContact O-N 3.15Å; T223-R226 WeakPolarHBondContact O-CB 3.4Å; T223-R226 PolarHBondContact O-N 2.77Å |
| 224 | S | 58.2 | Low | 62.4 | Low | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.9 | 174.1 | 84.9 | 0 | 0 | 0 | 0 | 113.3 | R204 R226 | R204-S224 PolarHBondContact NH2-O 2.71Å; S224-R226 VanDerWaalsContact C-N 3.33Å |
| 225 | S | 62.7 | Low | 64.7 | Low | 15 Ų | 15 | 42.9 Ų | 42.9 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8 | 173.9 | 78.1 | 0 | 0 | 0 | 0 | 113.6 | T91 F221 L222 T223 A260 G261 | T91-S225 VanDerWaalsContact OG1-CB 3.32Å; T91-S225 WeakPolarHBondContact OG1-CB 3.44Å; F221-S225 WeakPolarHBondContact O-CB 3.31Å; F221-S225 PolarHBondContact O-OG 2.91Å; L222-S225 PolarHBondContact O-OG 2.91Å; T223-S225 PolarHBondContact O-N 2.82Å; T223-S225 VanDerWaalsContact O-N 3.15Å; S225-A260 CarbonylContact O-C 3.53Å; S225-A260 WeakPolarHBondContact O-CA 3.36Å; S225-G261 PolarHBondContact O-N 3.32Å |
| 226 | R | 67.6 | Low | 66.9 | Low | 55 Ų | 55 | 41.9 Ų | 41.9 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -111.2 | -1.6 | -173 | -77.1 | -175.2 | 177.5 | -168.9 | -8.1 | 114.2 | Y148 L222 T223 S224 E277 I281 | Y148-R226 HydrophobicContact CE2-CB 4.24Å; L222-R226 VanDerWaalsContact O-CD 3.22Å; L222-R226 WeakPolarHBondContact O-CD 3.2Å; L222-R226 VanDerWaalsContact O-CG 3.27Å; L222-R226 WeakPolarHBondContact O-CG 3.42Å; T223-R226 WeakPolarHBondContact O-CB 3.4Å; T223-R226 PolarHBondContact O-N 2.77Å; S224-R226 VanDerWaalsContact C-N 3.33Å; R226-E277 VanDerWaalsContact CD-OE1 3.26Å; R226-E277 WeakPolarHBondContact CD-OE1 3.49Å; R226-E277 IonicContact CZ-OE1 3.63Å; R226-E277 IonicContact CZ-OE2 3.95Å; R226-E277 IonicContact NE-OE1 3.34Å; R226-E277 IonicContact NH1-OE1 2.91Å; R226-E277 PolarHBondContact NH1-OE1 3.31Å; R226-E277 IonicContact NH1-OE2 2.9Å; R226-E277 PolarHBondContact NH1-OE2 2.7Å; R226-I281 HydrophobicContact CB-CD1 3.56Å; R226-I281 HydrophobicContact CG-CD1 3.79Å; R226-I281 VanDerWaalsContact O-CD1 3.28Å; R226-I281 WeakPolarHBondContact O-CD1 3.38Å; R226-I281 VanDerWaalsContact O-CG1 3.31Å; R226-I281 WeakPolarHBondContact O-CG1 3.43Å |
| 227 | S | 78.6 | Confident | 69.2 | Low | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -124.8 | 147.8 | 174.4 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | E146 V147 R204 | E146-S227 WeakPolarHBondContact OE1-CB 3.47Å; E146-S227 PolarHBondContact OE1-OG 3.1Å; V147-S227 WeakPolarHBondContact O-CA 3.35Å; V147-S227 WeakPolarHBondContact O-CB 3.47Å; R204-S227 PolarHBondContact NH2-O 2.89Å; R204-S227 PolarHBondContact NH2-OG 2.94Å |
| 228 | H | 86.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 143.8 | 168.9 | -43 | -86.3 | 0 | 0 | 0 | 108.1 | E146 V147 D258 L259 A260 S284 L309 | E146-H228 WeakPolarHBondContact CA-O 3.29Å; V147-H228 HydrophobicContact CB-CB 4.17Å; V147-H228 HydrophobicContact CG2-CB 4.48Å; V147-H228 PolarHBondContact N-O 2.65Å; V147-H228 PolarHBondContact O-N 3.13Å; H228-D258 CarbonylContact C-O 3.53Å; H228-D258 WeakPolarHBondContact CA-O 3.48Å; H228-L259 HydrophobicContact CB-CD2 4.37Å; H228-L259 WeakPolarHBondContact ND1-CA 3.06Å; H228-L259 WeakPolarHBondContact ND1-CD2 3.48Å; H228-A260 PolarHBondContact CE1-N 2.88Å; H228-A260 PolarHBondContact ND1-N 2.86Å; H228-S284 PolarHBondContact CE1-OG 2.78Å; H228-S284 PolarHBondContact NE2-OG 2.88Å; H228-L309 HydrophobicContact CB-CD1 4.1Å |
| 229 | S | 88.7 | Confident | 73.5 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133 | 172.2 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | L145 R204 V257 D258 | L145-S229 CarbonylContact O-C 3.59Å; L145-S229 WeakPolarHBondContact O-CA 3.24Å; R204-S229 PolarHBondContact NH1-OG 2.84Å; S229-V257 WeakPolarHBondContact O-CA 3.3Å; S229-D258 PolarHBondContact N-O 2.83Å; S229-D258 PolarHBondContact O-N 3.26Å |
| 230 | I | 91.7 | Very high | 75.1 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 103.4 | -174.1 | -58.3 | 176.3 | 0 | 0 | 0 | 107.2 | L145 V147 H255 V257 L309 L312 L313 | L145-I230 HydrophobicContact CB-CB 4.36Å; L145-I230 HydrophobicContact CD2-CD1 4.46Å; L145-I230 PolarHBondContact N-O 3.28Å; L145-I230 PolarHBondContact O-N 2.68Å; V147-I230 HydrophobicContact CG2-CD1 4.45Å; I230-H255 HydrophobicContact CG2-CB 4.47Å; I230-V257 HydrophobicContact CG1-CG1 4.09Å; I230-V257 HydrophobicContact CG1-CG2 4.17Å; I230-V257 HydrophobicContact CG2-CG2 4.28Å; I230-L309 HydrophobicContact CD1-CD1 4.45Å; I230-L312 HydrophobicContact CD1-CB 4.36Å; I230-L312 HydrophobicContact CD1-CD1 4.11Å; I230-L313 HydrophobicContact CD1-CD2 4.36Å |
| 231 | F | 91.8 | Very high | 76.4 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.9 | 171.3 | -170 | -82.5 | 0 | 0 | 0 | 108.5 | I120 L124 V142 F144 V196 I197 V233 L256 | I120-F231 HydrophobicContact CD1-CB 4.49Å; I120-F231 HydrophobicContact CG2-CD1 4.06Å; I120-F231 HydrophobicContact CG2-CE1 4.13Å; I120-F231 HydrophobicContact CG2-CG 4.3Å; I120-F231 HydrophobicContact CG2-CZ 4.43Å; L124-F231 HydrophobicContact CD1-CE1 3.78Å; L124-F231 HydrophobicContact CD1-CZ 3.97Å; V142-F231 HydrophobicContact CB-CE1 4.11Å; V142-F231 HydrophobicContact CB-CZ 3.86Å; V142-F231 HydrophobicContact CG1-CE1 3.92Å; V142-F231 HydrophobicContact CG1-CZ 3.95Å; V142-F231 HydrophobicContact CG2-CZ 4.18Å; F144-F231 HydrophobicContact CB-CD2 3.94Å; F144-F231 HydrophobicContact CB-CE2 4.41Å; F144-F231 AromaticContact CD1-CD2 3.81Å; F144-F231 HydrophobicContact CD1-CD2 3.81Å; F144-F231 HydrophobicContact CD1-CE2 4.3Å; F144-F231 HydrophobicContact CD2-CB 3.91Å; F144-F231 AromaticContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CD2 3.86Å; F144-F231 HydrophobicContact CD2-CG 4.38Å; F144-F231 HydrophobicContact CE1-CD2 4.24Å; F144-F231 HydrophobicContact CE2-CB 4.06Å; F144-F231 HydrophobicContact CE2-CD2 4.25Å; F144-F231 AromaticContact CG-CD2 3.63Å; F144-F231 HydrophobicContact CG-CD2 3.63Å; F144-F231 HydrophobicContact CG-CE2 4.37Å; F144-F231 HydrophobicContact CZ-CD2 4.44Å; V196-F231 HydrophobicContact CG1-CE2 4.43Å; I197-F231 HydrophobicContact CG1-CE2 4.11Å; I197-F231 HydrophobicContact CG1-CZ 4.3Å; F231-V233 HydrophobicContact CD1-CG2 4.08Å; F231-V233 HydrophobicContact CE1-CG2 3.83Å; F231-L256 HydrophobicContact CB-CB 4.31Å; F231-L256 HydrophobicContact CD1-CD1 4.5Å; F231-L256 PolarHBondContact N-O 3.14Å; F231-L256 WeakPolarHBondContact O-CB 3.46Å; F231-L256 PolarHBondContact O-N 2.94Å |
| 232 | T | 92.3 | Very high | 77.2 | Confident | 12 Ų | 12 | 30 Ų | 30 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131 | -178 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | V142 S143 L254 H255 | V142-T232 CarbonylContact C-O 3.58Å; V142-T232 WeakPolarHBondContact CA-O 3.49Å; S143-T232 PolarHBondContact N-O 2.96Å; S143-T232 PolarHBondContact O-N 3.19Å; T232-L254 CarbonylContact C-O 3.59Å; T232-L254 WeakPolarHBondContact CA-O 3.47Å; T232-H255 VanDerWaalsContact CG2-CE1 3.44Å; T232-H255 WeakPolarHBondContact CG2-CE1 3.34Å; T232-H255 WeakPolarHBondContact CG2-ND1 3.2Å; T232-H255 PolarHBondContact OG1-ND1 2.92Å |
| 233 | V | 91.9 | Very high | 78.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122 | 168 | -168.4 | 0 | 0 | 0 | 0 | 108.3 | L124 L127 V140 V142 F231 V235 K253 L254 | L124-V233 HydrophobicContact CD2-CG1 3.94Å; L124-V233 HydrophobicContact CD2-CG2 3.72Å; L124-V233 HydrophobicContact CG-CG2 4.46Å; L127-V233 HydrophobicContact CD2-CG1 3.8Å; V140-V233 HydrophobicContact CG1-CG1 3.78Å; V142-V233 HydrophobicContact CG1-CG1 4.31Å; V142-V233 HydrophobicContact CG1-CG2 4.29Å; F231-V233 HydrophobicContact CD1-CG2 4.08Å; F231-V233 HydrophobicContact CE1-CG2 3.83Å; V233-V235 HydrophobicContact CG1-CG2 4.1Å; V233-K253 CarbonylContact O-C 3.41Å; V233-K253 WeakPolarHBondContact O-CA 2.81Å; V233-L254 HydrophobicContact CB-CB 4.39Å; V233-L254 PolarHBondContact N-O 3.35Å; V233-L254 PolarHBondContact O-N 3.22Å |
| 234 | T | 91.2 | Very high | 79 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.2 | 171.4 | -58.2 | 0 | 0 | 0 | 0 | 108.7 | R141 H236 I251 K253 | R141-T234 PolarHBondContact N-O 3.03Å; R141-T234 PolarHBondContact O-N 3.09Å; T234-H236 WeakPolarHBondContact CG2-NE2 3.08Å; T234-I251 HydrophobicContact CG2-CG2 3.97Å; T234-K253 HydrophobicContact CG2-CG 3.98Å; T234-K253 WeakPolarHBondContact OG1-CE 3.46Å |
| 235 | V | 90.1 | Very high | 79.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.9 | -176.4 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | I77 L127 L131 V233 I237 I251 G252 | I77-V235 HydrophobicContact CG2-CB 4.11Å; I77-V235 HydrophobicContact CG2-CG2 3.7Å; L127-V235 HydrophobicContact CD1-CG2 4.13Å; L127-V235 HydrophobicContact CD2-CG2 3.7Å; L127-V235 HydrophobicContact CG-CG2 4.46Å; L131-V235 HydrophobicContact CD1-CG1 3.86Å; L131-V235 HydrophobicContact CD2-CG1 4.02Å; V233-V235 HydrophobicContact CG1-CG2 4.1Å; V235-I237 HydrophobicContact CG1-CD1 4.3Å; V235-I237 HydrophobicContact CG1-CG1 3.91Å; V235-I251 WeakPolarHBondContact O-CA 3.11Å; V235-G252 PolarHBondContact N-O 3.27Å; V235-G252 PolarHBondContact O-N 3.48Å |
| 236 | H | 88.1 | Confident | 79.5 | Confident | 21 Ų | 21 | 41 Ų | 41 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.7 | 170.5 | -62.6 | -78.6 | 0 | 0 | 0 | 108.7 | F138 S139 R141 T234 L249 | F138-H236 CarbonylContact C-O 3.6Å; F138-H236 VanDerWaalsContact CA-O 3.23Å; F138-H236 WeakPolarHBondContact CA-O 3.38Å; S139-H236 PolarHBondContact N-O 2.75Å; S139-H236 PolarHBondContact O-N 2.98Å; R141-H236 PolarHBondContact NE-NE2 3Å; R141-H236 PolarHBondContact NH2-CE1 3.41Å; R141-H236 VanDerWaalsContact NH2-CE1 3.34Å; R141-H236 PolarHBondContact NH2-NE2 3.08Å; T234-H236 WeakPolarHBondContact CG2-NE2 3.08Å; H236-L249 HydrophobicContact CB-CD1 4.21Å |
| 237 | I | 86.2 | Confident | 79.6 | Confident | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.1 | 174 | -50.3 | 179.9 | 0 | 0 | 0 | 107.3 | I78 L131 V235 R250 | I78-I237 HydrophobicContact CB-CD1 4.12Å; I78-I237 HydrophobicContact CG1-CD1 4.11Å; I78-I237 HydrophobicContact CG2-CD1 3.85Å; L131-I237 HydrophobicContact CD2-CD1 3.6Å; L131-I237 HydrophobicContact CD2-CG1 3.91Å; V235-I237 HydrophobicContact CG1-CD1 4.3Å; V235-I237 HydrophobicContact CG1-CG1 3.91Å; I237-R250 HydrophobicContact CB-CB 4.43Å; I237-R250 PolarHBondContact N-O 2.72Å; I237-R250 PolarHBondContact O-N 3.34Å |
| 238 | K | 81.8 | Confident | 79.2 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 112.1 | 176.7 | 177.5 | -138.9 | -171.9 | -171 | 0 | 108.2 | D137 E247 L248 L249 | D137-K238 HydrophobicContact CB-CB 3.87Å; D137-K238 HydrophobicContact CB-CD 3.55Å; D137-K238 HydrophobicContact CB-CG 4.39Å; D137-K238 PolarHBondContact O-N 3.15Å; D137-K238 WeakPolarHBondContact OD2-CD 3.44Å; D137-K238 WeakPolarHBondContact OD2-CE 3.43Å; D137-K238 IonicContact OD2-NZ 2.96Å; D137-K238 PolarHBondContact OD2-NZ 3.01Å; K238-E247 VanDerWaalsContact CE-CD 3.44Å; K238-E247 WeakPolarHBondContact CE-OE1 3.4Å; K238-E247 IonicContact NZ-OE1 2.82Å; K238-E247 PolarHBondContact NZ-OE1 3.02Å; K238-L248 WeakPolarHBondContact CA-O 3.43Å; K238-L249 HydrophobicContact CB-CD1 4.44Å |
| 239 | E | 75.9 | Confident | 78.6 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.4 | -177.4 | 179.8 | 178.7 | -174.3 | 0 | 0 | 108.1 | L248 R250 R361 | E239-L248 HydrophobicContact CB-CB 4.35Å; E239-L248 PolarHBondContact N-O 2.84Å; E239-L248 WeakPolarHBondContact O-CB 3.46Å; E239-L248 PolarHBondContact O-N 2.63Å; E239-R250 IonicContact OE1-NH2 3.83Å; E239-R250 PolarHBondContact OE1-NH2 3.12Å; E239-R250 IonicContact OE2-CZ 3.95Å; E239-R250 IonicContact OE2-NE 2.76Å; E239-R250 PolarHBondContact OE2-NE 3.17Å; E239-R250 VanDerWaalsContact OE2-NE 3.15Å; E239-R250 IonicContact OE2-NH2 3.37Å; E239-R250 PolarHBondContact OE2-NH2 2.92Å; E239-R361 IonicContact OE1-CZ 3.74Å; E239-R361 IonicContact OE1-NH1 3.11Å; E239-R361 PolarHBondContact OE1-NH1 2.97Å; E239-R361 IonicContact OE1-NH2 3.74Å; E239-R361 PolarHBondContact OE1-NH2 3.07Å; E239-R361 IonicContact OE2-CZ 3.67Å; E239-R361 VanDerWaalsContact OE2-CZ 3.25Å; E239-R361 IonicContact OE2-NE 2.89Å; E239-R361 IonicContact OE2-NH1 2.65Å; E239-R361 PolarHBondContact OE2-NH1 3.17Å; E239-R361 IonicContact OE2-NH2 2.97Å |
| 240 | I | 71.8 | Confident | 78.4 | Confident | 109 Ų | 109 | 46.3 Ų | 46.3 | 56% | 0.559 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.7 | 171.7 | -58.9 | 175.9 | 0 | 0 | 0 | 107.2 | A242 | I240-A242 PolarHBondContact O-N 3.5Å; I240-A242 VanDerWaalsContact O-N 3.12Å |
| 241 | N | 67 | Low | 78.1 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | trans | -67.2 | 112 | 176.5 | -174.6 | -10.3 | 0 | 0 | 0 | 109.8 | I243 T244 S245 E246 L248 | N241-I243 PolarHBondContact O-N 2.87Å; N241-I243 PolarHBondContact OD1-N 3.38Å; N241-T244 WeakPolarHBondContact CB-OG1 3.43Å; N241-T244 PolarHBondContact ND2-OG1 3.06Å; N241-T244 PolarHBondContact O-N 2.72Å; N241-S245 VanDerWaalsContact O-CA 3.26Å; N241-S245 WeakPolarHBondContact O-CA 3.46Å; N241-S245 PolarHBondContact O-N 3.15Å; N241-E246 PolarHBondContact N-O 3.18Å; N241-L248 HydrophobicContact CB-CD1 3.86Å; N241-L248 HydrophobicContact CB-CG 4.48Å | ||
| 242 | A | 65.7 | Low | 77.9 | Confident | 102 Ų | 102 | 47.2 Ų | 47.2 | 84% | 0.843 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I240 | I240-A242 PolarHBondContact O-N 3.5Å; I240-A242 VanDerWaalsContact O-N 3.12Å |
| 243 | I | 67.6 | Low | 77.9 | Confident | 156 Ų | 156 | 49.9 Ų | 49.9 | 80% | 0.8 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -46.8 | 178.5 | -56.9 | 175.7 | 0 | 0 | 0 | 111.8 | N241 | N241-I243 PolarHBondContact O-N 2.87Å; N241-I243 PolarHBondContact OD1-N 3.38Å |
| 244 | T | 63.7 | Low | 77.9 | Confident | 69 Ų | 69 | 50 Ų | 50 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -8.1 | -175.8 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | N241 E246 | N241-T244 WeakPolarHBondContact CB-OG1 3.43Å; N241-T244 PolarHBondContact ND2-OG1 3.06Å; N241-T244 PolarHBondContact O-N 2.72Å; T244-E246 WeakPolarHBondContact CB-OE2 3.42Å; T244-E246 PolarHBondContact O-N 3.13Å; T244-E246 VanDerWaalsContact O-N 3.14Å; T244-E246 WeakPolarHBondContact OG1-CB 3.48Å; T244-E246 WeakPolarHBondContact OG1-CG 3.27Å; T244-E246 PolarHBondContact OG1-N 3.49Å; T244-E246 PolarHBondContact OG1-OE2 2.96Å |
| 245 | S | 65.9 | Low | 78 | Confident | 97 Ų | 97 | 51.8 Ų | 51.8 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | trans | 56.3 | 13.5 | -168.6 | -56.3 | 0 | 0 | 0 | 0 | 115.1 | N241 | N241-S245 VanDerWaalsContact O-CA 3.26Å; N241-S245 WeakPolarHBondContact O-CA 3.46Å; N241-S245 PolarHBondContact O-N 3.15Å | ||
| 246 | E | 66.4 | Low | 78.2 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | trans | -78.3 | 148 | 178.6 | -65.7 | 175.5 | 112.2 | 0 | 0 | 112.6 | N241 T244 L248 N363 T365 | N241-E246 PolarHBondContact N-O 3.18Å; T244-E246 WeakPolarHBondContact CB-OE2 3.42Å; T244-E246 PolarHBondContact O-N 3.13Å; T244-E246 VanDerWaalsContact O-N 3.14Å; T244-E246 WeakPolarHBondContact OG1-CB 3.48Å; T244-E246 WeakPolarHBondContact OG1-CG 3.27Å; T244-E246 PolarHBondContact OG1-N 3.49Å; T244-E246 PolarHBondContact OG1-OE2 2.96Å; E246-L248 PolarHBondContact O-N 3.39Å; E246-N363 WeakPolarHBondContact CB-OD1 3.19Å; E246-N363 PolarHBondContact OE1-ND2 3.24Å; E246-N363 VanDerWaalsContact OE1-ND2 3.08Å; E246-N363 PolarHBondContact OE2-ND2 3.5Å; E246-T365 WeakPolarHBondContact OE1-CB 3.46Å; E246-T365 WeakPolarHBondContact OE1-CG2 3.31Å; E246-T365 PolarHBondContact OE1-OG1 3.16Å | ||
| 247 | E | 68.1 | Low | 78.4 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 97.3 | 173.3 | -59.3 | -177.9 | 126.7 | 0 | 0 | 109.4 | K238 K364 | K238-E247 VanDerWaalsContact CE-CD 3.44Å; K238-E247 WeakPolarHBondContact CE-OE1 3.4Å; K238-E247 IonicContact NZ-OE1 2.82Å; K238-E247 PolarHBondContact NZ-OE1 3.02Å; E247-K364 HydrophobicContact CB-CB 4.41Å; E247-K364 HydrophobicContact CB-CD 4.43Å; E247-K364 PolarHBondContact O-N 3.35Å; E247-K364 VanDerWaalsContact O-N 3.16Å; E247-K364 WeakPolarHBondContact OE2-CD 3.28Å; E247-K364 WeakPolarHBondContact OE2-CE 3.37Å; E247-K364 IonicContact OE2-NZ 3.59Å; E247-K364 PolarHBondContact OE2-NZ 3.23Å |
| 248 | L | 70.6 | Confident | 78.7 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.8 | 172.3 | -69.3 | 164.6 | 0 | 0 | 0 | 109.8 | K238 E239 N241 E246 R361 N363 | K238-L248 WeakPolarHBondContact CA-O 3.43Å; E239-L248 HydrophobicContact CB-CB 4.35Å; E239-L248 PolarHBondContact N-O 2.84Å; E239-L248 WeakPolarHBondContact O-CB 3.46Å; E239-L248 PolarHBondContact O-N 2.63Å; N241-L248 HydrophobicContact CB-CD1 3.86Å; N241-L248 HydrophobicContact CB-CG 4.48Å; E246-L248 PolarHBondContact O-N 3.39Å; L248-R361 HydrophobicContact CB-CB 4.46Å; L248-R361 HydrophobicContact CD2-CB 3.93Å; L248-N363 HydrophobicContact CD2-CB 4.11Å; L248-N363 VanDerWaalsContact CD2-OD1 3.29Å; L248-N363 WeakPolarHBondContact CD2-OD1 3.42Å |
| 249 | L | 74.8 | Confident | 79.1 | Confident | 55 Ų | 55 | 48 Ų | 48 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.5 | 171.6 | -166.9 | 71.8 | 0 | 0 | 0 | 110.6 | H236 K238 I251 L362 | H236-L249 HydrophobicContact CB-CD1 4.21Å; K238-L249 HydrophobicContact CB-CD1 4.44Å; L249-I251 HydrophobicContact CD2-CD1 4.31Å; L249-I251 HydrophobicContact CD2-CG1 4.43Å; L249-I251 HydrophobicContact CG-CG1 4.35Å; L249-L362 HydrophobicContact CB-CB 4.32Å; L249-L362 WeakPolarHBondContact CB-O 3.37Å; L249-L362 PolarHBondContact N-O 3.07Å; L249-L362 PolarHBondContact O-N 3.31Å |
| 250 | R | 83.9 | Confident | 79.5 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 139.5 | 171.1 | -167.1 | -169.4 | -65.7 | -169.3 | -3.1 | 108.9 | I78 I237 E239 | I78-R250 WeakPolarHBondContact O-CD 3.23Å; I78-R250 PolarHBondContact O-NH1 3.3Å; I237-R250 HydrophobicContact CB-CB 4.43Å; I237-R250 PolarHBondContact N-O 2.72Å; I237-R250 PolarHBondContact O-N 3.34Å; E239-R250 IonicContact OE1-NH2 3.83Å; E239-R250 PolarHBondContact OE1-NH2 3.12Å; E239-R250 IonicContact OE2-CZ 3.95Å; E239-R250 IonicContact OE2-NE 2.76Å; E239-R250 PolarHBondContact OE2-NE 3.17Å; E239-R250 VanDerWaalsContact OE2-NE 3.15Å; E239-R250 IonicContact OE2-NH2 3.37Å; E239-R250 PolarHBondContact OE2-NH2 2.92Å |
| 251 | I | 86.2 | Confident | 79.9 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 14% | 0.138 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 119.4 | -178 | -49.9 | -178.8 | 0 | 0 | 0 | 109.2 | G80 T234 V235 L249 N359 L362 | G80-I251 CarbonylContact C-O 3.39Å; G80-I251 WeakPolarHBondContact CA-O 3.46Å; G80-I251 VanDerWaalsContact O-O 3.11Å; T234-I251 HydrophobicContact CG2-CG2 3.97Å; V235-I251 WeakPolarHBondContact O-CA 3.11Å; L249-I251 HydrophobicContact CD2-CD1 4.31Å; L249-I251 HydrophobicContact CD2-CG1 4.43Å; L249-I251 HydrophobicContact CG-CG1 4.35Å; I251-N359 WeakPolarHBondContact O-CB 3.42Å; I251-N359 PolarHBondContact O-ND2 3.23Å; I251-L362 HydrophobicContact CD1-CD1 4.07Å |
| 252 | G | 87.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 151.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | I77 Y81 V235 | I77-G252 WeakPolarHBondContact O-CA 3.48Å; Y81-G252 WeakPolarHBondContact O-CA 3.34Å; V235-G252 PolarHBondContact N-O 3.27Å; V235-G252 PolarHBondContact O-N 3.48Å |
| 253 | K | 91.3 | Very high | 81 | Confident | 69 Ų | 69 | 37.1 Ų | 37.1 | 30% | 0.3 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.3 | 173.4 | -73.1 | -167.3 | 171.1 | -167.1 | 0 | 111 | Y81 N82 C83 V233 T234 | Y81-K253 PolarHBondContact O-N 3.07Å; N82-K253 CarbonylContact C-O 3.55Å; N82-K253 WeakPolarHBondContact CA-O 3.05Å; C83-K253 PolarHBondContact N-O 3.46Å; V233-K253 CarbonylContact O-C 3.41Å; V233-K253 WeakPolarHBondContact O-CA 2.81Å; T234-K253 HydrophobicContact CG2-CG 3.98Å; T234-K253 WeakPolarHBondContact OG1-CE 3.46Å |
| 254 | L | 93.3 | Very high | 81 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.7 | 173.4 | 174 | 61.3 | 0 | 0 | 0 | 109.9 | I77 C83 I85 V123 T232 V233 L256 | I77-L254 HydrophobicContact CD1-CB 3.59Å; I77-L254 HydrophobicContact CD1-CD1 4.19Å; I77-L254 HydrophobicContact CD1-CD2 3.63Å; I77-L254 HydrophobicContact CD1-CG 3.99Å; I77-L254 HydrophobicContact CG1-CB 4.18Å; C83-L254 HydrophobicContact CB-CD1 3.69Å; C83-L254 WeakPolarHBondContact O-CA 3.45Å; I85-L254 HydrophobicContact CD1-CD1 4.15Å; I85-L254 HydrophobicContact CG1-CD1 4.36Å; V123-L254 HydrophobicContact CG1-CD2 3.47Å; V123-L254 VanDerWaalsContact CG1-CD2 3.47Å; V123-L254 HydrophobicContact CG2-CD2 4.18Å; T232-L254 CarbonylContact C-O 3.59Å; T232-L254 WeakPolarHBondContact CA-O 3.47Å; V233-L254 HydrophobicContact CB-CB 4.39Å; V233-L254 PolarHBondContact N-O 3.35Å; V233-L254 PolarHBondContact O-N 3.22Å; L254-L256 HydrophobicContact CD1-CD2 3.96Å; L254-L256 HydrophobicContact CD2-CD1 4.4Å; L254-L256 HydrophobicContact CD2-CD2 3.94Å; L254-L256 HydrophobicContact CD2-CG 4.18Å; L254-L256 HydrophobicContact CG-CD2 3.9Å; L254-L256 HydrophobicContact CG-CG 4.05Å |
| 255 | H | 93.1 | Very high | 80.8 | Confident | 42 Ų | 42 | 32.6 Ų | 32.6 | 19% | 0.194 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 118.3 | 172 | -56.9 | -70.6 | 0 | 0 | 0 | 109.8 | C83 T84 I85 I230 T232 V257 | C83-H255 PolarHBondContact O-N 3.48Å; T84-H255 CarbonylContact C-O 3.55Å; T84-H255 WeakPolarHBondContact CA-O 3.36Å; T84-H255 HydrophobicContact CG2-CB 4.18Å; I85-H255 PolarHBondContact N-O 2.89Å; I230-H255 HydrophobicContact CG2-CB 4.47Å; T232-H255 VanDerWaalsContact CG2-CE1 3.44Å; T232-H255 WeakPolarHBondContact CG2-CE1 3.34Å; T232-H255 WeakPolarHBondContact CG2-ND1 3.2Å; T232-H255 PolarHBondContact OG1-ND1 2.92Å; H255-V257 HydrophobicContact CB-CG2 4.29Å |
| 256 | L | 92.8 | Very high | 80.3 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.5 | 175.5 | -62.8 | -179.6 | 0 | 0 | 0 | 108.1 | I85 M99 I119 I120 V123 F231 L254 | I85-L256 HydrophobicContact CB-CD2 3.94Å; I85-L256 HydrophobicContact CD1-CD2 3.74Å; I85-L256 HydrophobicContact CG1-CD2 4.27Å; M99-L256 HydrophobicContact CE-CB 3.7Å; M99-L256 HydrophobicContact CE-CD2 4.31Å; I119-L256 HydrophobicContact CG2-CD1 4.47Å; I119-L256 HydrophobicContact CG2-CD2 3.98Å; I120-L256 HydrophobicContact CB-CD1 4.15Å; I120-L256 HydrophobicContact CG1-CB 4.19Å; I120-L256 HydrophobicContact CG1-CD1 3.63Å; I120-L256 HydrophobicContact CG2-CD1 4.36Å; V123-L256 HydrophobicContact CB-CD1 4.3Å; V123-L256 HydrophobicContact CG1-CD1 4.25Å; V123-L256 HydrophobicContact CG2-CD1 4.17Å; V123-L256 HydrophobicContact CG2-CD2 4.48Å; F231-L256 HydrophobicContact CB-CB 4.31Å; F231-L256 HydrophobicContact CD1-CD1 4.5Å; F231-L256 PolarHBondContact N-O 3.14Å; F231-L256 WeakPolarHBondContact O-CB 3.46Å; F231-L256 PolarHBondContact O-N 2.94Å; L254-L256 HydrophobicContact CD1-CD2 3.96Å; L254-L256 HydrophobicContact CD2-CD1 4.4Å; L254-L256 HydrophobicContact CD2-CD2 3.94Å; L254-L256 HydrophobicContact CD2-CG 4.18Å; L254-L256 HydrophobicContact CG-CD2 3.9Å; L254-L256 HydrophobicContact CG-CG 4.05Å |
| 257 | V | 93.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 111.8 | -167.6 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | T84 I85 F86 A87 S229 I230 H255 L259 L313 | T84-V257 HydrophobicContact CG2-CG2 4.13Å; I85-V257 PolarHBondContact O-N 2.88Å; F86-V257 HydrophobicContact CD1-CB 3.62Å; F86-V257 HydrophobicContact CD1-CG1 3.74Å; F86-V257 HydrophobicContact CD1-CG2 4.05Å; F86-V257 HydrophobicContact CE1-CB 3.93Å; F86-V257 HydrophobicContact CE1-CG1 3.93Å; F86-V257 HydrophobicContact CE1-CG2 3.88Å; A87-V257 PolarHBondContact N-O 2.85Å; S229-V257 WeakPolarHBondContact O-CA 3.3Å; I230-V257 HydrophobicContact CG1-CG1 4.09Å; I230-V257 HydrophobicContact CG1-CG2 4.17Å; I230-V257 HydrophobicContact CG2-CG2 4.28Å; H255-V257 HydrophobicContact CB-CG2 4.29Å; V257-L259 HydrophobicContact CG1-CD2 3.57Å; V257-L259 HydrophobicContact CG1-CG 4Å; V257-L313 HydrophobicContact CG2-CD2 4.09Å |
| 258 | D | 91.3 | Very high | 78.8 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 104.2 | 168.8 | -168.3 | 36.8 | 0 | 0 | 0 | 107.9 | K95 T96 M99 R204 H228 S229 | K95-D258 WeakPolarHBondContact CB-OD1 3.36Å; T96-D258 WeakPolarHBondContact CA-OD1 3.37Å; T96-D258 WeakPolarHBondContact CA-OD2 3.45Å; T96-D258 VanDerWaalsContact CB-OD2 3.28Å; T96-D258 WeakPolarHBondContact CB-OD2 3.46Å; T96-D258 WeakPolarHBondContact CG2-OD2 3.29Å; T96-D258 PolarHBondContact N-OD1 2.99Å; T96-D258 VanDerWaalsContact N-OD1 3.11Å; T96-D258 PolarHBondContact OG1-OD2 2.91Å; M99-D258 HydrophobicContact CB-CB 4.24Å; M99-D258 HydrophobicContact CG-CB 3.97Å; R204-D258 IonicContact NH1-OD2 3.96Å; H228-D258 CarbonylContact C-O 3.53Å; H228-D258 WeakPolarHBondContact CA-O 3.48Å; S229-D258 PolarHBondContact N-O 2.83Å; S229-D258 PolarHBondContact O-N 3.26Å |
| 259 | L | 90.4 | Very high | 77.8 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 166.9 | -178.2 | -62.9 | 172.3 | 0 | 0 | 0 | 111.6 | F86 A87 Y88 K95 H228 V257 L288 L309 | F86-L259 HydrophobicContact CD1-CD1 4.24Å; A87-L259 WeakPolarHBondContact O-CB 3.47Å; A87-L259 PolarHBondContact O-N 3.15Å; Y88-L259 HydrophobicContact CD2-CD1 3.8Å; Y88-L259 HydrophobicContact CG-CD1 4.48Å; K95-L259 WeakPolarHBondContact CE-O 3.34Å; H228-L259 HydrophobicContact CB-CD2 4.37Å; H228-L259 WeakPolarHBondContact ND1-CA 3.06Å; H228-L259 WeakPolarHBondContact ND1-CD2 3.48Å; V257-L259 HydrophobicContact CG1-CD2 3.57Å; V257-L259 HydrophobicContact CG1-CG 4Å; L259-L288 HydrophobicContact CD1-CD2 3.99Å; L259-L309 HydrophobicContact CD2-CD1 4.19Å; L259-L309 HydrophobicContact CD2-CD2 4.06Å |
| 260 | A | 85.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 173.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K95 S225 H228 I281 L285 | K95-A260 WeakPolarHBondContact CE-O 3.12Å; K95-A260 PolarHBondContact NZ-O 3.29Å; S225-A260 CarbonylContact O-C 3.53Å; S225-A260 WeakPolarHBondContact O-CA 3.36Å; H228-A260 PolarHBondContact CE1-N 2.88Å; H228-A260 PolarHBondContact ND1-N 2.86Å; A260-I281 HydrophobicContact CB-CG2 3.74Å; A260-L285 HydrophobicContact CB-CD1 4.5Å |
| 261 | G | 80.5 | Confident | 74.9 | Confident | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 131.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S225 E263 L285 | S225-G261 PolarHBondContact O-N 3.32Å; G261-E263 VanDerWaalsContact C-N 3.29Å; G261-E263 VanDerWaalsContact C-OE2 3.22Å; G261-E263 WeakPolarHBondContact CA-OE2 3.47Å; G261-L285 WeakPolarHBondContact O-CD1 3.3Å |
| 262 | S | 80.6 | Confident | 73.7 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | trans | -82.7 | -0.8 | 176.1 | 66.5 | 0 | 0 | 0 | 0 | 114.6 | Y88 G89 Q90 | Y88-S262 WeakPolarHBondContact OH-CB 3.47Å; G89-S262 PolarHBondContact O-N 3.28Å; G89-S262 PolarHBondContact O-OG 3.13Å; Q90-S262 PolarHBondContact N-OG 2.85Å; Q90-S262 VanDerWaalsContact N-OG 3.1Å | ||
| 263 | E | 74.4 | Confident | 72.4 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | trans | -71.3 | 150.7 | -171.5 | 63.2 | -82.8 | -171.4 | 0 | 0 | 114.7 | Q90 T91 G261 N282 E338 | Q90-E263 WeakPolarHBondContact CA-OE2 3.07Å; T91-E263 WeakPolarHBondContact CB-OE1 3.17Å; T91-E263 PolarHBondContact N-OE2 3.18Å; T91-E263 PolarHBondContact OG1-OE1 2.99Å; T91-E263 PolarHBondContact OG1-OE2 3Å; G261-E263 VanDerWaalsContact C-N 3.29Å; G261-E263 VanDerWaalsContact C-OE2 3.22Å; G261-E263 WeakPolarHBondContact CA-OE2 3.47Å; E263-N282 PolarHBondContact O-ND2 3Å; E263-E338 VanDerWaalsContact CA-OE1 3.31Å; E263-E338 WeakPolarHBondContact CA-OE1 3.36Å; E263-E338 WeakPolarHBondContact CA-OE2 3.18Å; E263-E338 HydrophobicContact CB-CG 4.44Å; E263-E338 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 264 | N | 67 | Low | 71.1 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | trans | -77.1 | 130.5 | -176.3 | -78.3 | -44.7 | 0 | 0 | 0 | 113.3 | G266 R267 E338 | N264-G266 PolarHBondContact O-N 2.83Å; N264-R267 PolarHBondContact O-N 3.23Å; N264-E338 PolarHBondContact N-OE1 2.83Å | ||
| 265 | V | 60.2 | Low | 69.6 | Low | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -49.8 | -35.6 | -178.9 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | R267 S268 A278 N282 | V265-R267 PolarHBondContact O-N 3.44Å; V265-R267 VanDerWaalsContact O-N 3.13Å; V265-S268 VanDerWaalsContact O-CB 3.31Å; V265-S268 WeakPolarHBondContact O-CB 3.45Å; V265-S268 PolarHBondContact O-N 3.38Å; V265-S268 PolarHBondContact O-OG 2.68Å; V265-A278 HydrophobicContact CB-CB 4.25Å; V265-A278 HydrophobicContact CG1-CB 3.61Å; V265-A278 HydrophobicContact CG2-CB 3.74Å; V265-N282 HydrophobicContact CG2-CB 4.27Å |
| 266 | G | 56.1 | Low | 68.3 | Low | 82 Ų | 82 | 65.9 Ų | 65.9 | 85% | 0.845 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -58.3 | -24.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N264 | N264-G266 PolarHBondContact O-N 2.83Š|
| 267 | R | 52.1 | Low | 67 | Low | 155 Ų | 155 | 66.6 Ų | 66.6 | 59% | 0.585 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -84.5 | -7.4 | 174.1 | -77.2 | -175.4 | 172.6 | -146.6 | 0.8 | 114 | N264 V265 T334 E337 | N264-R267 PolarHBondContact O-N 3.23Å; V265-R267 PolarHBondContact O-N 3.44Å; V265-R267 VanDerWaalsContact O-N 3.13Å; R267-T334 PolarHBondContact NH1-O 3.29Å; R267-E337 IonicContact CZ-OE2 3.64Å; R267-E337 IonicContact NE-OE2 3.48Å; R267-E337 IonicContact NH2-OE2 2.79Å; R267-E337 PolarHBondContact NH2-OE2 2.81Å |
| 268 | S | 49.5 | Very low | 65.7 | Low | 61 Ų | 61 | 67 Ų | 67 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.1 | -169.5 | 72.5 | 0 | 0 | 0 | 0 | 115.7 | V265 A270 | V265-S268 VanDerWaalsContact O-CB 3.31Å; V265-S268 WeakPolarHBondContact O-CB 3.45Å; V265-S268 PolarHBondContact O-N 3.38Å; V265-S268 PolarHBondContact O-OG 2.68Å; S268-A270 PolarHBondContact O-N 3.06Å; S268-A270 VanDerWaalsContact O-N 3.17Å; S268-A270 VanDerWaalsContact OG-CB 3.26Å; S268-A270 WeakPolarHBondContact OG-CB 3.33Å |
| 269 | G | 50 | Low | 64.6 | Low | 71 Ų | 71 | 68.5 Ų | 68.5 | 73% | 0.732 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 19.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | V271 | G269-V271 PolarHBondContact O-N 3.14Š|
| 270 | A | 50.4 | Low | 63.7 | Low | 24 Ų | 24 | 69.4 Ų | 69.4 | 20% | 0.198 | 39% | 0.388 | C | S | . | . | trans | -75.4 | 121.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S268 R274 A275 | S268-A270 PolarHBondContact O-N 3.06Å; S268-A270 VanDerWaalsContact O-N 3.17Å; S268-A270 VanDerWaalsContact OG-CB 3.26Å; S268-A270 WeakPolarHBondContact OG-CB 3.33Å; A270-R274 HydrophobicContact CB-CB 3.67Å; A270-A275 HydrophobicContact CB-CB 4.46Å | ||
| 271 | V | 48.7 | Very low | 63 | Low | 113 Ų | 113 | 69.8 Ų | 69.8 | 69% | 0.685 | 39% | 0.39 | S | S | * | . | trans | -92 | 139.4 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | G269 K273 R274 | G269-V271 PolarHBondContact O-N 3.14Å; V271-K273 PolarHBondContact O-N 3.24Å; V271-R274 PolarHBondContact O-N 2.92Å; V271-R274 VanDerWaalsContact O-N 3.11Å | ||
| 272 | E | 60.4 | Low | 62.7 | Low | 162 Ų | 162 | 71.3 Ų | 71.3 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.5 | -96.8 | 174.3 | -67 | -169.9 | 159.7 | 0 | 0 | 116.3 | R274 A275 R276 | E272-R274 VanDerWaalsContact C-N 3.3Å; E272-R274 PolarHBondContact O-N 3.34Å; E272-A275 WeakPolarHBondContact O-CA 3.5Å; E272-A275 WeakPolarHBondContact O-CB 3.49Å; E272-A275 PolarHBondContact O-N 2.79Å; E272-R276 PolarHBondContact O-N 2.96Å |
| 273 | K | 60.9 | Low | 62.8 | Low | 150 Ų | 150 | 74.9 Ų | 74.9 | 65% | 0.652 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.6 | -43.5 | -175.4 | -74.2 | -174.3 | 176.6 | 178.4 | 0 | 111.8 | V271 A275 R276 E277 | V271-K273 PolarHBondContact O-N 3.24Å; K273-A275 VanDerWaalsContact C-N 3.3Å; K273-A275 PolarHBondContact O-N 3.25Å; K273-R276 PolarHBondContact O-N 2.88Å; K273-E277 WeakPolarHBondContact O-CB 3.14Å; K273-E277 PolarHBondContact O-N 2.67Å |
| 274 | R | 62.3 | Low | 63.3 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.1 | -27.3 | 178.6 | -68.3 | -176.8 | -176 | 169.7 | 4.9 | 112.1 | S215 A270 V271 E272 A278 | S215-R274 PolarHBondContact OG-NH2 3.36Å; A270-R274 HydrophobicContact CB-CB 3.67Å; V271-R274 PolarHBondContact O-N 2.92Å; V271-R274 VanDerWaalsContact O-N 3.11Å; E272-R274 VanDerWaalsContact C-N 3.3Å; E272-R274 PolarHBondContact O-N 3.34Å; R274-A278 VanDerWaalsContact O-CB 3.24Å; R274-A278 WeakPolarHBondContact O-CB 3.04Å; R274-A278 PolarHBondContact O-N 2.91Å |
| 275 | A | 62 | Low | 64.1 | Low | 36 Ų | 36 | 68.6 Ų | 68.6 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -73.2 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A270 E272 K273 A278 G279 | A270-A275 HydrophobicContact CB-CB 4.46Å; E272-A275 WeakPolarHBondContact O-CA 3.5Å; E272-A275 WeakPolarHBondContact O-CB 3.49Å; E272-A275 PolarHBondContact O-N 2.79Å; K273-A275 VanDerWaalsContact C-N 3.3Å; K273-A275 PolarHBondContact O-N 3.25Å; A275-A278 PolarHBondContact O-N 3.3Å; A275-G279 PolarHBondContact O-N 3.03Å |
| 276 | R | 67.3 | Low | 65.3 | Low | 205 Ų | 205 | 72.2 Ų | 72.2 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 175.3 | -170 | 179.6 | -64.9 | 166.6 | 1 | 112 | E272 K273 G279 S280 | E272-R276 PolarHBondContact O-N 2.96Å; K273-R276 PolarHBondContact O-N 2.88Å; R276-G279 PolarHBondContact O-N 2.82Å; R276-S280 PolarHBondContact O-N 3.37Å; R276-S280 PolarHBondContact O-OG 3.1Å |
| 277 | E | 65.1 | Low | 66.8 | Low | 18 Ų | 18 | 68.5 Ų | 68.5 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.8 | -54.2 | 172.2 | -180 | -161.5 | 176.8 | 0 | 0 | 111.3 | Y148 R226 K273 G279 S280 I281 | Y148-E277 HydrophobicContact CE2-CG 4.41Å; Y148-E277 VanDerWaalsContact OH-CD 3.3Å; Y148-E277 PolarHBondContact OH-OE1 3.22Å; R226-E277 VanDerWaalsContact CD-OE1 3.26Å; R226-E277 WeakPolarHBondContact CD-OE1 3.49Å; R226-E277 IonicContact CZ-OE1 3.63Å; R226-E277 IonicContact CZ-OE2 3.95Å; R226-E277 IonicContact NE-OE1 3.34Å; R226-E277 IonicContact NH1-OE1 2.91Å; R226-E277 PolarHBondContact NH1-OE1 3.31Å; R226-E277 IonicContact NH1-OE2 2.9Å; R226-E277 PolarHBondContact NH1-OE2 2.7Å; K273-E277 WeakPolarHBondContact O-CB 3.14Å; K273-E277 PolarHBondContact O-N 2.67Å; E277-G279 VanDerWaalsContact C-N 3.29Å; E277-G279 PolarHBondContact O-N 2.8Å; E277-S280 PolarHBondContact O-N 2.85Å; E277-S280 VanDerWaalsContact O-N 3.17Å; E277-I281 HydrophobicContact CG-CD1 4.05Å; E277-I281 WeakPolarHBondContact O-CD1 3.4Å; E277-I281 VanDerWaalsContact O-CG1 3.32Å; E277-I281 WeakPolarHBondContact O-CG1 3.5Å; E277-I281 PolarHBondContact O-N 3.03Å |
| 278 | A | 65.7 | Low | 68.6 | Low | 9 Ų | 9 | 61.2 Ų | 61.2 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V265 R274 A275 I281 N282 | V265-A278 HydrophobicContact CB-CB 4.25Å; V265-A278 HydrophobicContact CG1-CB 3.61Å; V265-A278 HydrophobicContact CG2-CB 3.74Å; R274-A278 VanDerWaalsContact O-CB 3.24Å; R274-A278 WeakPolarHBondContact O-CB 3.04Å; R274-A278 PolarHBondContact O-N 2.91Å; A275-A278 PolarHBondContact O-N 3.3Å; A278-I281 PolarHBondContact O-N 3.32Å; A278-N282 WeakPolarHBondContact O-CB 3.35Å; A278-N282 PolarHBondContact O-N 3.47Å; A278-N282 PolarHBondContact O-OD1 2.68Å |
| 279 | G | 68.1 | Low | 70.5 | Confident | 34 Ų | 34 | 59 Ų | 59 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | A275 R276 E277 I281 N282 Q283 | A275-G279 PolarHBondContact O-N 3.03Å; R276-G279 PolarHBondContact O-N 2.82Å; E277-G279 VanDerWaalsContact C-N 3.29Å; E277-G279 PolarHBondContact O-N 2.8Å; G279-I281 PolarHBondContact O-N 3.17Å; G279-N282 PolarHBondContact O-N 3.06Å; G279-Q283 WeakPolarHBondContact O-CB 3.49Å; G279-Q283 PolarHBondContact O-N 3.14Å |
| 280 | S | 71.1 | Confident | 72.4 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.6 | -32.9 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | R276 E277 S284 | R276-S280 PolarHBondContact O-N 3.37Å; R276-S280 PolarHBondContact O-OG 3.1Å; E277-S280 PolarHBondContact O-N 2.85Å; E277-S280 VanDerWaalsContact O-N 3.17Å; S280-S284 PolarHBondContact O-N 3.2Å |
| 281 | I | 71 | Confident | 74.4 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.9 | -50.3 | 173.5 | -63.3 | 160.8 | 0 | 0 | 0 | 109.7 | Y148 R226 A260 E277 A278 G279 Q283 S284 L285 | Y148-I281 HydrophobicContact CE2-CD1 4.47Å; R226-I281 HydrophobicContact CB-CD1 3.56Å; R226-I281 HydrophobicContact CG-CD1 3.79Å; R226-I281 VanDerWaalsContact O-CD1 3.28Å; R226-I281 WeakPolarHBondContact O-CD1 3.38Å; R226-I281 VanDerWaalsContact O-CG1 3.31Å; R226-I281 WeakPolarHBondContact O-CG1 3.43Å; A260-I281 HydrophobicContact CB-CG2 3.74Å; E277-I281 HydrophobicContact CG-CD1 4.05Å; E277-I281 WeakPolarHBondContact O-CD1 3.4Å; E277-I281 VanDerWaalsContact O-CG1 3.32Å; E277-I281 WeakPolarHBondContact O-CG1 3.5Å; E277-I281 PolarHBondContact O-N 3.03Å; A278-I281 PolarHBondContact O-N 3.32Å; G279-I281 PolarHBondContact O-N 3.17Å; I281-Q283 VanDerWaalsContact C-N 3.29Å; I281-Q283 PolarHBondContact O-N 3.24Å; I281-S284 PolarHBondContact O-N 3.38Å; I281-S284 VanDerWaalsContact O-N 3.17Å; I281-S284 PolarHBondContact O-OG 3.22Å; I281-L285 PolarHBondContact O-N 2.97Å |
| 282 | N | 74.8 | Confident | 76.3 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.9 | -26.1 | -179.8 | -72.2 | 39.9 | 0 | 0 | 0 | 112.2 | E263 V265 A278 G279 S284 L285 L286 | E263-N282 PolarHBondContact O-ND2 3Å; V265-N282 HydrophobicContact CG2-CB 4.27Å; A278-N282 WeakPolarHBondContact O-CB 3.35Å; A278-N282 PolarHBondContact O-N 3.47Å; A278-N282 PolarHBondContact O-OD1 2.68Å; G279-N282 PolarHBondContact O-N 3.06Å; N282-S284 PolarHBondContact O-N 2.75Å; N282-L285 PolarHBondContact O-N 3.09Å; N282-L286 WeakPolarHBondContact O-CB 3.27Å; N282-L286 PolarHBondContact O-N 2.55Å |
| 283 | Q | 81.2 | Confident | 77.8 | Confident | 86 Ų | 86 | 48.8 Ų | 48.8 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.3 | -47.8 | 169 | 175.4 | -175.9 | -14 | 0 | 0 | 111.4 | G279 I281 L285 L286 T287 E306 | G279-Q283 WeakPolarHBondContact O-CB 3.49Å; G279-Q283 PolarHBondContact O-N 3.14Å; I281-Q283 VanDerWaalsContact C-N 3.29Å; I281-Q283 PolarHBondContact O-N 3.24Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.83Å; Q283-L286 PolarHBondContact O-N 3.14Å; Q283-T287 VanDerWaalsContact O-CB 3.29Å; Q283-T287 WeakPolarHBondContact O-CB 3.44Å; Q283-T287 PolarHBondContact O-N 3.13Å; Q283-T287 PolarHBondContact O-OG1 3.21Å; Q283-E306 PolarHBondContact NE2-O 3.29Å |
| 284 | S | 85.5 | Confident | 79.2 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | -178.9 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | E150 H228 S280 I281 N282 L288 S307 | E150-S284 WeakPolarHBondContact OE1-CB 3.24Å; H228-S284 PolarHBondContact CE1-OG 2.78Å; H228-S284 PolarHBondContact NE2-OG 2.88Å; S280-S284 PolarHBondContact O-N 3.2Å; I281-S284 PolarHBondContact O-N 3.38Å; I281-S284 VanDerWaalsContact O-N 3.17Å; I281-S284 PolarHBondContact O-OG 3.22Å; N282-S284 PolarHBondContact O-N 2.75Å; S284-L288 WeakPolarHBondContact O-CB 3.38Å; S284-L288 PolarHBondContact O-N 3.09Å; S284-L288 VanDerWaalsContact O-N 3.08Å; S284-S307 WeakPolarHBondContact CB-OG 3.42Å |
| 285 | L | 83.9 | Confident | 80.6 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.4 | -33.2 | 177.3 | -67.8 | -178.7 | 0 | 0 | 0 | 113.5 | Y88 A260 G261 I281 N282 Q283 L288 G289 | Y88-L285 HydrophobicContact CE2-CD2 4.25Å; A260-L285 HydrophobicContact CB-CD1 4.5Å; G261-L285 WeakPolarHBondContact O-CD1 3.3Å; I281-L285 PolarHBondContact O-N 2.97Å; N282-L285 PolarHBondContact O-N 3.09Å; Q283-L285 VanDerWaalsContact C-N 3.33Å; Q283-L285 PolarHBondContact O-N 2.83Å; L285-L288 HydrophobicContact CD2-CD2 3.99Å; L285-L288 WeakPolarHBondContact O-CB 3.37Å; L285-L288 PolarHBondContact O-N 3.06Å; L285-G289 PolarHBondContact O-N 3.31Å |
| 286 | L | 85.4 | Confident | 81.8 | Confident | 118 Ų | 118 | 38.8 Ų | 38.8 | 62% | 0.618 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.2 | -45.7 | 172.8 | 179.2 | 62.7 | 0 | 0 | 0 | 110.3 | N282 Q283 L288 G289 R290 | N282-L286 WeakPolarHBondContact O-CB 3.27Å; N282-L286 PolarHBondContact O-N 2.55Å; Q283-L286 PolarHBondContact O-N 3.14Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.43Å; L286-G289 CarbonylContact O-C 3.58Å; L286-G289 PolarHBondContact O-N 3.27Å; L286-G289 VanDerWaalsContact O-N 3.16Å; L286-R290 WeakPolarHBondContact O-CG 3.48Å; L286-R290 PolarHBondContact O-N 3.14Å |
| 287 | T | 88.1 | Confident | 82.8 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59 | -44 | 172.6 | -59.6 | 0 | 0 | 0 | 0 | 111 | Q283 G289 R290 V291 E306 T310 | Q283-T287 VanDerWaalsContact O-CB 3.29Å; Q283-T287 WeakPolarHBondContact O-CB 3.44Å; Q283-T287 PolarHBondContact O-N 3.13Å; Q283-T287 PolarHBondContact O-OG1 3.21Å; T287-G289 VanDerWaalsContact C-N 3.31Å; T287-G289 PolarHBondContact O-N 2.9Å; T287-R290 PolarHBondContact O-N 2.68Å; T287-R290 VanDerWaalsContact O-N 3.15Å; T287-V291 HydrophobicContact CG2-CG2 4.48Å; T287-V291 WeakPolarHBondContact O-CB 3.49Å; T287-V291 WeakPolarHBondContact O-CG2 3.44Å; T287-V291 PolarHBondContact O-N 2.96Å; T287-E306 HydrophobicContact CG2-CB 3.6Å; T287-T310 HydrophobicContact CG2-CG2 3.97Å; T287-T310 WeakPolarHBondContact CG2-OG1 3.42Å |
| 288 | L | 89.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 174.8 | -167.2 | 65.6 | 0 | 0 | 0 | 111.7 | L259 S284 L285 L286 V291 I292 L309 T310 L313 L317 Y345 | L259-L288 HydrophobicContact CD1-CD2 3.99Å; S284-L288 WeakPolarHBondContact O-CB 3.38Å; S284-L288 PolarHBondContact O-N 3.09Å; S284-L288 VanDerWaalsContact O-N 3.08Å; L285-L288 HydrophobicContact CD2-CD2 3.99Å; L285-L288 WeakPolarHBondContact O-CB 3.37Å; L285-L288 PolarHBondContact O-N 3.06Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.43Å; L288-V291 PolarHBondContact O-N 2.75Å; L288-I292 HydrophobicContact CG-CD1 4.44Å; L288-I292 WeakPolarHBondContact O-CB 3.35Å; L288-I292 WeakPolarHBondContact O-CD1 3.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.36Å; L288-I292 PolarHBondContact O-N 2.99Å; L288-L309 HydrophobicContact CD2-CD2 4.34Å; L288-T310 HydrophobicContact CB-CG2 4.07Å; L288-T310 HydrophobicContact CD1-CG2 3.64Å; L288-T310 HydrophobicContact CG-CG2 4.49Å; L288-L313 HydrophobicContact CD1-CD1 4.28Å; L288-L317 HydrophobicContact CD1-CD1 3.52Å; L288-Y345 WeakPolarHBondContact CD2-OH 3.38Å; L288-Y345 WeakPolarHBondContact CG-OH 3.31Å |
| 289 | G | 88.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L285 L286 T287 T293 | L285-G289 PolarHBondContact O-N 3.31Å; L286-G289 CarbonylContact O-C 3.58Å; L286-G289 PolarHBondContact O-N 3.27Å; L286-G289 VanDerWaalsContact O-N 3.16Å; T287-G289 VanDerWaalsContact C-N 3.31Å; T287-G289 PolarHBondContact O-N 2.9Å; G289-T293 WeakPolarHBondContact O-CB 3.44Å; G289-T293 PolarHBondContact O-N 2.81Å; G289-T293 PolarHBondContact O-OG1 2.86Å |
| 290 | R | 90.9 | Very high | 85.5 | Confident | 123 Ų | 123 | 48 Ų | 48 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 173.4 | -70.5 | 177.4 | 75.1 | -155.8 | 2.4 | 111.5 | L286 T287 T293 S294 P303 E306 | L286-R290 WeakPolarHBondContact O-CG 3.48Å; L286-R290 PolarHBondContact O-N 3.14Å; T287-R290 PolarHBondContact O-N 2.68Å; T287-R290 VanDerWaalsContact O-N 3.15Å; R290-T293 PolarHBondContact O-N 2.69Å; R290-S294 VanDerWaalsContact O-CB 3.32Å; R290-S294 WeakPolarHBondContact O-CB 3.45Å; R290-S294 PolarHBondContact O-N 3.17Å; R290-S294 PolarHBondContact O-OG 2.87Å; R290-P303 HydrophobicContact CB-CG 4.19Å; R290-E306 IonicContact CZ-OE1 2.65Å; R290-E306 IonicContact CZ-OE2 2.75Å; R290-E306 IonicContact NH1-OE1 3.74Å; R290-E306 PolarHBondContact NH1-OE1 3.26Å; R290-E306 IonicContact NH1-OE2 2.71Å; R290-E306 PolarHBondContact NH1-OE2 2.97Å; R290-E306 IonicContact NH2-OE1 2.75Å |
| 291 | V | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 172.5 | 163.6 | 0 | 0 | 0 | 0 | 110.7 | T287 L288 T293 S294 L295 V302 P303 Y304 T310 L317 | T287-V291 HydrophobicContact CG2-CG2 4.48Å; T287-V291 WeakPolarHBondContact O-CB 3.49Å; T287-V291 WeakPolarHBondContact O-CG2 3.44Å; T287-V291 PolarHBondContact O-N 2.96Å; L288-V291 PolarHBondContact O-N 2.75Å; V291-T293 PolarHBondContact O-N 3.29Å; V291-S294 PolarHBondContact O-N 3.37Å; V291-L295 HydrophobicContact CG1-CD1 3.87Å; V291-L295 WeakPolarHBondContact O-CB 3.34Å; V291-L295 WeakPolarHBondContact O-CG 3.43Å; V291-L295 PolarHBondContact O-N 2.85Å; V291-V302 HydrophobicContact CB-CG1 4.19Å; V291-V302 HydrophobicContact CG1-CG1 3.79Å; V291-V302 HydrophobicContact CG2-CG1 4.08Å; V291-P303 HydrophobicContact CG2-CG 3.99Å; V291-Y304 HydrophobicContact CG1-CD1 3.97Å; V291-Y304 HydrophobicContact CG1-CE1 3.69Å; V291-Y304 HydrophobicContact CG2-CD1 4.26Å; V291-T310 HydrophobicContact CB-CG2 4.42Å; V291-T310 HydrophobicContact CG2-CG2 3.96Å; V291-L317 HydrophobicContact CG1-CD1 4.43Å |
| 292 | I | 90.1 | Very high | 87 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.8 | -76.9 | 163.8 | 0 | 0 | 0 | 111.6 | L288 L295 V296 Y345 R348 A349 I352 | L288-I292 HydrophobicContact CG-CD1 4.44Å; L288-I292 WeakPolarHBondContact O-CB 3.35Å; L288-I292 WeakPolarHBondContact O-CD1 3.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.36Å; L288-I292 PolarHBondContact O-N 2.99Å; I292-L295 PolarHBondContact O-N 3.46Å; I292-V296 WeakPolarHBondContact O-CG2 3.32Å; I292-V296 PolarHBondContact O-N 3.43Å; I292-V296 VanDerWaalsContact O-N 3.12Å; I292-Y345 HydrophobicContact CD1-CD2 4.41Å; I292-Y345 HydrophobicContact CD1-CE1 3.83Å; I292-Y345 HydrophobicContact CD1-CE2 3.58Å; I292-Y345 WeakPolarHBondContact CD1-OH 3.41Å; I292-R348 HydrophobicContact CG2-CB 4.11Å; I292-A349 HydrophobicContact CD1-CB 4.31Å; I292-A349 HydrophobicContact CG2-CB 4.24Å; I292-I352 HydrophobicContact CB-CD1 4.03Å; I292-I352 HydrophobicContact CG1-CD1 3.71Å; I292-I352 HydrophobicContact CG2-CD1 4.03Å |
| 293 | T | 90.1 | Very high | 87.8 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 179.7 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | G289 R290 V291 L295 V296 E297 R348 | G289-T293 WeakPolarHBondContact O-CB 3.44Å; G289-T293 PolarHBondContact O-N 2.81Å; G289-T293 PolarHBondContact O-OG1 2.86Å; R290-T293 PolarHBondContact O-N 2.69Å; V291-T293 PolarHBondContact O-N 3.29Å; T293-L295 VanDerWaalsContact C-N 3.29Å; T293-L295 PolarHBondContact O-N 2.81Å; T293-V296 PolarHBondContact O-N 3.23Å; T293-E297 HydrophobicContact CG2-CG 4.43Å; T293-E297 WeakPolarHBondContact CG2-OE1 3.48Å; T293-E297 WeakPolarHBondContact O-CB 3.49Å; T293-E297 WeakPolarHBondContact O-CG 3.38Å; T293-E297 PolarHBondContact O-N 2.93Å; T293-R348 PolarHBondContact OG1-NH1 3.4Å; T293-R348 VanDerWaalsContact OG1-NH1 3.14Å |
| 294 | S | 91.7 | Very high | 88.2 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -37 | 175.8 | -55 | 0 | 0 | 0 | 0 | 113 | R290 V291 H298 A299 P303 | R290-S294 VanDerWaalsContact O-CB 3.32Å; R290-S294 WeakPolarHBondContact O-CB 3.45Å; R290-S294 PolarHBondContact O-N 3.17Å; R290-S294 PolarHBondContact O-OG 2.87Å; V291-S294 PolarHBondContact O-N 3.37Å; S294-H298 PolarHBondContact O-N 2.69Å; S294-H298 VanDerWaalsContact O-N 3.12Å; S294-A299 PolarHBondContact O-N 3.36Å; S294-P303 WeakPolarHBondContact OG-CD 3.46Å |
| 295 | L | 90.5 | Very high | 88.3 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.1 | -40.4 | 178.6 | -77.2 | 167.5 | 0 | 0 | 0 | 112.6 | V291 I292 T293 H298 V302 L317 I352 | V291-L295 HydrophobicContact CG1-CD1 3.87Å; V291-L295 WeakPolarHBondContact O-CB 3.34Å; V291-L295 WeakPolarHBondContact O-CG 3.43Å; V291-L295 PolarHBondContact O-N 2.85Å; I292-L295 PolarHBondContact O-N 3.46Å; T293-L295 VanDerWaalsContact C-N 3.29Å; T293-L295 PolarHBondContact O-N 2.81Å; L295-H298 PolarHBondContact O-N 2.64Å; L295-H298 PolarHBondContact O-ND1 2.9Å; L295-V302 HydrophobicContact CD2-CG1 4.39Å; L295-V302 HydrophobicContact CD2-CG2 3.98Å; L295-V302 HydrophobicContact CG-CG1 4.08Å; L295-V302 HydrophobicContact CG-CG2 4.26Å; L295-L317 HydrophobicContact CD1-CB 3.94Å; L295-I352 HydrophobicContact CB-CD1 4.18Å; L295-I352 HydrophobicContact CB-CG1 4.02Å; L295-I352 HydrophobicContact CB-CG2 4.29Å; L295-I352 HydrophobicContact CD1-CD1 4.1Å; L295-I352 HydrophobicContact CD1-CG2 4.17Å |
| 296 | V | 88.7 | Confident | 88.5 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 177 | 175 | 0 | 0 | 0 | 0 | 111.7 | I292 T293 H298 R348 N351 I352 | I292-V296 WeakPolarHBondContact O-CG2 3.32Å; I292-V296 PolarHBondContact O-N 3.43Å; I292-V296 VanDerWaalsContact O-N 3.12Å; T293-V296 PolarHBondContact O-N 3.23Å; V296-H298 VanDerWaalsContact C-N 3.26Å; V296-H298 PolarHBondContact O-N 3.31Å; V296-R348 VanDerWaalsContact CG2-O 3.28Å; V296-R348 WeakPolarHBondContact CG2-O 3.25Å; V296-N351 HydrophobicContact CG1-CB 4.07Å; V296-N351 HydrophobicContact CG2-CB 4.1Å; V296-I352 HydrophobicContact CG2-CG1 3.7Å |
| 297 | E | 88.4 | Confident | 88.6 | Confident | 141 Ų | 141 | 56 Ų | 56 | 66% | 0.659 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -1.3 | 175.7 | -67.2 | 171.8 | 177.6 | 0 | 0 | 113 | T293 A299 | T293-E297 HydrophobicContact CG2-CG 4.43Å; T293-E297 WeakPolarHBondContact CG2-OE1 3.48Å; T293-E297 WeakPolarHBondContact O-CB 3.49Å; T293-E297 WeakPolarHBondContact O-CG 3.38Å; T293-E297 PolarHBondContact O-N 2.93Å; E297-A299 PolarHBondContact O-N 2.82Å |
| 298 | H | 85.4 | Confident | 88.7 | Confident | 138 Ų | 138 | 58 Ų | 58 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.7 | -176.6 | -55.1 | -27.1 | 0 | 0 | 0 | 113.8 | S294 L295 V296 | S294-H298 PolarHBondContact O-N 2.69Å; S294-H298 VanDerWaalsContact O-N 3.12Å; L295-H298 PolarHBondContact O-N 2.64Å; L295-H298 PolarHBondContact O-ND1 2.9Å; V296-H298 VanDerWaalsContact C-N 3.26Å; V296-H298 PolarHBondContact O-N 3.31Å |
| 299 | A | 87.1 | Confident | 88.6 | Confident | 32 Ų | 32 | 58 Ų | 58 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | trans | -62.2 | 141 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | S294 E297 H301 | S294-A299 PolarHBondContact O-N 3.36Å; E297-A299 PolarHBondContact O-N 2.82Å; A299-H301 PolarHBondContact O-N 3.38Å; A299-H301 VanDerWaalsContact O-N 3.17Å | ||
| 300 | P | 81.5 | Confident | 88.7 | Confident | 147 Ų | 147 | 57.4 Ų | 57.4 | 96% | 0.955 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -68.6 | -17.8 | -172 | 27.2 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 301 | H | 87.5 | Confident | 88.6 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 62% | 0.616 | 27% | 0.268 | S | S | * | . | trans | -128.7 | 110.9 | 175.3 | 175.7 | -87.2 | 0 | 0 | 0 | 110.3 | A299 | A299-H301 PolarHBondContact O-N 3.38Å; A299-H301 VanDerWaalsContact O-N 3.17Å | ||
| 302 | V | 87.9 | Confident | 88.5 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | trans | -94.6 | 122.9 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V291 L295 Y304 | V291-V302 HydrophobicContact CB-CG1 4.19Å; V291-V302 HydrophobicContact CG1-CG1 3.79Å; V291-V302 HydrophobicContact CG2-CG1 4.08Å; L295-V302 HydrophobicContact CD2-CG1 4.39Å; L295-V302 HydrophobicContact CD2-CG2 3.98Å; L295-V302 HydrophobicContact CG-CG1 4.08Å; L295-V302 HydrophobicContact CG-CG2 4.26Å; V302-Y304 HydrophobicContact CB-CD2 4Å; V302-Y304 HydrophobicContact CB-CE2 3.53Å; V302-Y304 HydrophobicContact CG1-CD1 4.33Å; V302-Y304 HydrophobicContact CG1-CD2 3.88Å; V302-Y304 HydrophobicContact CG1-CE1 3.92Å; V302-Y304 HydrophobicContact CG1-CE2 3.44Å; V302-Y304 VanDerWaalsContact CG1-CE2 3.44Å; V302-Y304 HydrophobicContact CG1-CG 4.31Å; V302-Y304 VanDerWaalsContact CG1-CZ 3.45Å; V302-Y304 HydrophobicContact CG2-CE2 4.48Å; V302-Y304 WeakPolarHBondContact O-CD2 3.43Å; V302-Y304 PolarHBondContact O-N 2.8Å | ||
| 303 | P | 90.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | trans | -80.1 | 45.2 | -164.8 | 32 | -37.1 | 0 | 0 | 0 | 115.1 | R290 V291 S294 R305 E306 | R290-P303 HydrophobicContact CB-CG 4.19Å; V291-P303 HydrophobicContact CG2-CG 3.99Å; S294-P303 WeakPolarHBondContact OG-CD 3.46Å; P303-R305 PolarHBondContact O-N 3.41Å; P303-E306 HydrophobicContact CB-CG 4.06Å; P303-E306 PolarHBondContact O-N 2.84Å | ||
| 304 | Y | 89 | Confident | 88.3 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 11% | 0.114 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55 | -26.6 | -178.6 | -58.5 | -78.6 | 0 | 0 | 0 | 114.2 | V291 V302 T310 R311 Q314 L317 | V291-Y304 HydrophobicContact CG1-CD1 3.97Å; V291-Y304 HydrophobicContact CG1-CE1 3.69Å; V291-Y304 HydrophobicContact CG2-CD1 4.26Å; V302-Y304 HydrophobicContact CB-CD2 4Å; V302-Y304 HydrophobicContact CB-CE2 3.53Å; V302-Y304 HydrophobicContact CG1-CD1 4.33Å; V302-Y304 HydrophobicContact CG1-CD2 3.88Å; V302-Y304 HydrophobicContact CG1-CE1 3.92Å; V302-Y304 HydrophobicContact CG1-CE2 3.44Å; V302-Y304 VanDerWaalsContact CG1-CE2 3.44Å; V302-Y304 HydrophobicContact CG1-CG 4.31Å; V302-Y304 VanDerWaalsContact CG1-CZ 3.45Å; V302-Y304 HydrophobicContact CG2-CE2 4.48Å; V302-Y304 WeakPolarHBondContact O-CD2 3.43Å; V302-Y304 PolarHBondContact O-N 2.8Å; Y304-T310 CarbonylContact O-C 3.57Å; Y304-T310 WeakPolarHBondContact O-CB 3.41Å; Y304-T310 PolarHBondContact O-OG1 3.19Å; Y304-R311 VanDerWaalsContact O-CG 3.27Å; Y304-R311 WeakPolarHBondContact O-CG 3.31Å; Y304-R311 PolarHBondContact O-N 3.08Å; Y304-R311 VanDerWaalsContact O-N 3.15Å; Y304-Q314 HydrophobicContact CD1-CB 3.91Å; Y304-Q314 HydrophobicContact CD1-CG 3.81Å; Y304-Q314 HydrophobicContact CD2-CG 3.88Å; Y304-Q314 HydrophobicContact CE1-CB 4.27Å; Y304-Q314 HydrophobicContact CE1-CG 3.95Å; Y304-Q314 HydrophobicContact CE2-CG 3.99Å; Y304-Q314 HydrophobicContact CG-CB 4.18Å; Y304-Q314 HydrophobicContact CG-CG 3.78Å; Y304-L317 PolarHBondContact OH-O 3.48Å |
| 305 | R | 88.7 | Confident | 88 | Confident | 183 Ų | 183 | 56.6 Ų | 56.6 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -80.4 | -11.3 | -174.3 | -75.3 | -178 | 168.5 | -179.1 | -5.3 | 115.4 | D169 P303 S307 R311 | D169-R305 IonicContact OD2-CZ 2.67Å; D169-R305 IonicContact OD2-NE 2.71Å; D169-R305 IonicContact OD2-NH2 2.65Å; D169-R305 PolarHBondContact OD2-NH2 3.19Å; P303-R305 PolarHBondContact O-N 3.41Å; R305-S307 VanDerWaalsContact C-N 3.26Å; R305-S307 PolarHBondContact O-N 3.01Å; R305-R311 HydrophobicContact CG-CG 4.36Å |
| 306 | E | 87.1 | Confident | 87.9 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -72.4 | -14.1 | -178.6 | -65.3 | 177.5 | 168.6 | 0 | 0 | 114.3 | Q283 T287 R290 P303 | Q283-E306 PolarHBondContact NE2-O 3.29Å; T287-E306 HydrophobicContact CG2-CB 3.6Å; R290-E306 IonicContact CZ-OE1 2.65Å; R290-E306 IonicContact CZ-OE2 2.75Å; R290-E306 IonicContact NH1-OE1 3.74Å; R290-E306 PolarHBondContact NH1-OE1 3.26Å; R290-E306 IonicContact NH1-OE2 2.71Å; R290-E306 PolarHBondContact NH1-OE2 2.97Å; R290-E306 IonicContact NH2-OE1 2.75Å; P303-E306 HydrophobicContact CB-CG 4.06Å; P303-E306 PolarHBondContact O-N 2.84Å |
| 307 | S | 88.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -143.1 | 142.7 | 173.9 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | E150 S284 R305 L309 T310 R311 | E150-S307 WeakPolarHBondContact OE1-CB 3.49Å; E150-S307 PolarHBondContact OE1-OG 2.86Å; E150-S307 WeakPolarHBondContact OE2-CA 3.47Å; S284-S307 WeakPolarHBondContact CB-OG 3.42Å; R305-S307 VanDerWaalsContact C-N 3.26Å; R305-S307 PolarHBondContact O-N 3.01Å; S307-L309 PolarHBondContact O-N 3.46Å; S307-L309 WeakPolarHBondContact OG-CB 3.32Å; S307-L309 PolarHBondContact OG-N 2.83Å; S307-L309 VanDerWaalsContact OG-N 3.09Å; S307-T310 WeakPolarHBondContact CB-OG1 3.42Å; S307-T310 PolarHBondContact O-N 2.95Å; S307-T310 PolarHBondContact O-OG1 3.34Å; S307-T310 VanDerWaalsContact O-OG1 3.14Å; S307-R311 PolarHBondContact O-N 3.12Å; S307-R311 VanDerWaalsContact O-N 3.13Å |
| 308 | K | 88.2 | Confident | 87.6 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 21% | 0.213 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -32.6 | 171.2 | -70.5 | -167.4 | -162.2 | 158.6 | 0 | 111.3 | E150 E151 L152 I167 L312 | E150-K308 WeakPolarHBondContact O-CD 3.43Å; E150-K308 WeakPolarHBondContact O-CE 3.08Å; E150-K308 PolarHBondContact O-NZ 3.36Å; E150-K308 WeakPolarHBondContact OE2-CB 3.46Å; E150-K308 WeakPolarHBondContact OE2-CG 3.47Å; E150-K308 PolarHBondContact OE2-N 3.49Å; E151-K308 IonicContact OE1-NZ 2.73Å; E151-K308 PolarHBondContact OE1-NZ 2.92Å; E151-K308 IonicContact OE2-NZ 2.67Å; E151-K308 PolarHBondContact OE2-NZ 3.23Å; L152-K308 HydrophobicContact CG-CD 4.25Å; I167-K308 HydrophobicContact CD1-CB 3.61Å; I167-K308 HydrophobicContact CD1-CD 3.94Å; I167-K308 HydrophobicContact CD1-CG 3.69Å; K308-L312 VanDerWaalsContact O-CG 3.24Å; K308-L312 WeakPolarHBondContact O-CG 3.4Å; K308-L312 PolarHBondContact O-N 3.31Å; K308-L312 VanDerWaalsContact O-N 3.09Å |
| 309 | L | 88.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 175.5 | -179.5 | 68.1 | 0 | 0 | 0 | 111.6 | H228 I230 L259 L288 S307 R311 L312 L313 | H228-L309 HydrophobicContact CB-CD1 4.1Å; I230-L309 HydrophobicContact CD1-CD1 4.45Å; L259-L309 HydrophobicContact CD2-CD1 4.19Å; L259-L309 HydrophobicContact CD2-CD2 4.06Å; L288-L309 HydrophobicContact CD2-CD2 4.34Å; S307-L309 PolarHBondContact O-N 3.46Å; S307-L309 WeakPolarHBondContact OG-CB 3.32Å; S307-L309 PolarHBondContact OG-N 2.83Å; S307-L309 VanDerWaalsContact OG-N 3.09Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 2.92Å; L309-L312 PolarHBondContact O-N 3.38Å; L309-L313 HydrophobicContact CD1-CD1 3.72Å; L309-L313 HydrophobicContact CD1-CG 4.36Å; L309-L313 HydrophobicContact CG-CD1 3.83Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.11Å; L309-L313 PolarHBondContact O-N 2.67Å |
| 310 | T | 90 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.6 | -24.3 | -178.9 | 39.9 | 0 | 0 | 0 | 0 | 113.4 | T287 L288 V291 Y304 S307 Q314 | T287-T310 HydrophobicContact CG2-CG2 3.97Å; T287-T310 WeakPolarHBondContact CG2-OG1 3.42Å; L288-T310 HydrophobicContact CB-CG2 4.07Å; L288-T310 HydrophobicContact CD1-CG2 3.64Å; L288-T310 HydrophobicContact CG-CG2 4.49Å; V291-T310 HydrophobicContact CB-CG2 4.42Å; V291-T310 HydrophobicContact CG2-CG2 3.96Å; Y304-T310 CarbonylContact O-C 3.57Å; Y304-T310 WeakPolarHBondContact O-CB 3.41Å; Y304-T310 PolarHBondContact O-OG1 3.19Å; S307-T310 WeakPolarHBondContact CB-OG1 3.42Å; S307-T310 PolarHBondContact O-N 2.95Å; S307-T310 PolarHBondContact O-OG1 3.34Å; S307-T310 VanDerWaalsContact O-OG1 3.14Å; T310-Q314 PolarHBondContact O-N 3.31Å; T310-Q314 VanDerWaalsContact O-N 3.17Å |
| 311 | R | 88.8 | Confident | 87.7 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.185 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -47.8 | 165.9 | -69 | -174.8 | 66.8 | -157 | -4.1 | 111.9 | I167 D169 V177 Y304 R305 S307 L309 L313 Q314 | I167-R311 HydrophobicContact CG2-CB 4.49Å; I167-R311 PolarHBondContact O-NH1 3.29Å; I167-R311 PolarHBondContact O-NH2 2.81Å; D169-R311 IonicContact OD1-CZ 3.46Å; D169-R311 IonicContact OD1-NE 3.2Å; D169-R311 IonicContact OD1-NH2 3.26Å; D169-R311 PolarHBondContact OD1-NH2 3.32Å; V177-R311 WeakPolarHBondContact CG2-O 3.33Å; Y304-R311 VanDerWaalsContact O-CG 3.27Å; Y304-R311 WeakPolarHBondContact O-CG 3.31Å; Y304-R311 PolarHBondContact O-N 3.08Å; Y304-R311 VanDerWaalsContact O-N 3.15Å; R305-R311 HydrophobicContact CG-CG 4.36Å; S307-R311 PolarHBondContact O-N 3.12Å; S307-R311 VanDerWaalsContact O-N 3.13Å; L309-R311 VanDerWaalsContact C-N 3.33Å; L309-R311 PolarHBondContact O-N 2.92Å; R311-L313 PolarHBondContact O-N 2.69Å; R311-Q314 WeakPolarHBondContact O-CB 3.46Å; R311-Q314 PolarHBondContact O-N 3.49Å |
| 312 | L | 89 | Confident | 87.9 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -33.1 | 179 | -69.2 | 167.2 | 0 | 0 | 0 | 112.6 | L145 V147 L152 I167 V177 V179 I230 K308 L309 | L145-L312 HydrophobicContact CD2-CD1 3.74Å; L145-L312 HydrophobicContact CD2-CD2 4.18Å; V147-L312 HydrophobicContact CG2-CD1 4.07Å; L152-L312 HydrophobicContact CD1-CD1 4.35Å; L152-L312 HydrophobicContact CD2-CD1 3.85Å; I167-L312 HydrophobicContact CD1-CD2 4.39Å; I167-L312 HydrophobicContact CD1-CG 4.24Å; V177-L312 HydrophobicContact CG1-CD2 4.38Å; V179-L312 HydrophobicContact CG2-CD2 3.32Å; I230-L312 HydrophobicContact CD1-CB 4.36Å; I230-L312 HydrophobicContact CD1-CD1 4.11Å; K308-L312 VanDerWaalsContact O-CG 3.24Å; K308-L312 WeakPolarHBondContact O-CG 3.4Å; K308-L312 PolarHBondContact O-N 3.31Å; K308-L312 VanDerWaalsContact O-N 3.09Å; L309-L312 PolarHBondContact O-N 3.38Å |
| 313 | L | 87.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 10.5 | -177.4 | -57.8 | 173.6 | 0 | 0 | 0 | 113.7 | F86 I230 V257 L288 L309 R311 D315 S316 L317 | F86-L313 HydrophobicContact CE1-CD1 3.45Å; F86-L313 VanDerWaalsContact CE1-CD1 3.45Å; F86-L313 HydrophobicContact CE1-CD2 3.63Å; F86-L313 HydrophobicContact CE1-CG 4.07Å; F86-L313 HydrophobicContact CZ-CB 4.34Å; F86-L313 HydrophobicContact CZ-CD1 3.85Å; F86-L313 HydrophobicContact CZ-CD2 3.8Å; F86-L313 HydrophobicContact CZ-CG 4.19Å; I230-L313 HydrophobicContact CD1-CD2 4.36Å; V257-L313 HydrophobicContact CG2-CD2 4.09Å; L288-L313 HydrophobicContact CD1-CD1 4.28Å; L309-L313 HydrophobicContact CD1-CD1 3.72Å; L309-L313 HydrophobicContact CD1-CG 4.36Å; L309-L313 HydrophobicContact CG-CD1 3.83Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.11Å; L309-L313 PolarHBondContact O-N 2.67Å; R311-L313 PolarHBondContact O-N 2.69Å; L313-D315 VanDerWaalsContact C-N 3.28Å; L313-D315 PolarHBondContact O-N 2.94Å; L313-S316 WeakPolarHBondContact O-CA 3.44Å; L313-S316 WeakPolarHBondContact O-CB 3.4Å; L313-S316 PolarHBondContact O-N 3.38Å; L313-L317 PolarHBondContact O-N 3.33Å |
| 314 | Q | 89.1 | Confident | 88.2 | Confident | 45 Ų | 45 | 32.2 Ų | 32.2 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.5 | -175.3 | 179.8 | 169.7 | -6.9 | 0 | 0 | 113 | Y304 T310 R311 | Y304-Q314 HydrophobicContact CD1-CB 3.91Å; Y304-Q314 HydrophobicContact CD1-CG 3.81Å; Y304-Q314 HydrophobicContact CD2-CG 3.88Å; Y304-Q314 HydrophobicContact CE1-CB 4.27Å; Y304-Q314 HydrophobicContact CE1-CG 3.95Å; Y304-Q314 HydrophobicContact CE2-CG 3.99Å; Y304-Q314 HydrophobicContact CG-CB 4.18Å; Y304-Q314 HydrophobicContact CG-CG 3.78Å; T310-Q314 PolarHBondContact O-N 3.31Å; T310-Q314 VanDerWaalsContact O-N 3.17Å; R311-Q314 WeakPolarHBondContact O-CB 3.46Å; R311-Q314 PolarHBondContact O-N 3.49Å |
| 315 | D | 85.9 | Confident | 88.4 | Confident | 26 Ų | 26 | 31 Ų | 31 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -23.1 | 175 | -165.3 | 55 | 0 | 0 | 0 | 112.9 | N82 L313 G319 R320 T321 | N82-D315 PolarHBondContact ND2-OD2 2.95Å; N82-D315 VanDerWaalsContact ND2-OD2 3.13Å; L313-D315 VanDerWaalsContact C-N 3.28Å; L313-D315 PolarHBondContact O-N 2.94Å; D315-G319 CarbonylContact O-C 3.59Å; D315-G319 VanDerWaalsContact O-C 3.29Å; D315-G319 WeakPolarHBondContact O-CA 3.38Å; D315-R320 PolarHBondContact O-N 3.49Å; D315-R320 WeakPolarHBondContact OD1-CB 3.38Å; D315-R320 PolarHBondContact OD1-N 2.92Å; D315-T321 VanDerWaalsContact O-CB 3.3Å; D315-T321 WeakPolarHBondContact O-CB 3.38Å; D315-T321 PolarHBondContact O-N 3.2Å; D315-T321 PolarHBondContact OD2-OG1 3.43Å |
| 316 | S | 88 | Confident | 88.7 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -21.8 | -179.9 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | T84 L313 T323 N354 | T84-S316 PolarHBondContact OG1-OG 2.7Å; L313-S316 WeakPolarHBondContact O-CA 3.44Å; L313-S316 WeakPolarHBondContact O-CB 3.4Å; L313-S316 PolarHBondContact O-N 3.38Å; S316-T323 WeakPolarHBondContact O-CB 3.43Å; S316-T323 PolarHBondContact O-OG1 3.41Å; S316-N354 PolarHBondContact O-ND2 3.43Å |
| 317 | L | 87.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -128.9 | 105.3 | -174.6 | -61.8 | 174.8 | 0 | 0 | 0 | 109.1 | I10 F86 L288 V291 L295 Y304 L313 G319 | I10-L317 HydrophobicContact CD1-CD2 3.63Å; F86-L317 HydrophobicContact CE2-CD2 3.99Å; F86-L317 HydrophobicContact CE2-CG 4.42Å; F86-L317 HydrophobicContact CZ-CG 4.49Å; L288-L317 HydrophobicContact CD1-CD1 3.52Å; V291-L317 HydrophobicContact CG1-CD1 4.43Å; L295-L317 HydrophobicContact CD1-CB 3.94Å; Y304-L317 PolarHBondContact OH-O 3.48Å; L313-L317 PolarHBondContact O-N 3.33Å; L317-G319 PolarHBondContact O-N 2.95Å |
| 318 | G | 82.1 | Confident | 89.4 | Confident | 33 Ų | 33 | 18.9 Ų | 18.9 | 34% | 0.34 | 10% | 0.096 | S | C | . | . | S | Bend | trans | 76.9 | 4 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | N354 | G318-N354 WeakPolarHBondContact CA-OD1 3.37Å; G318-N354 PolarHBondContact N-OD1 3.29Å |
| 319 | G | 85.1 | Confident | 89.6 | Confident | 13 Ų | 13 | 16.5 Ų | 16.5 | 13% | 0.134 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -105.9 | -151.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D315 L317 R355 | D315-G319 CarbonylContact O-C 3.59Å; D315-G319 VanDerWaalsContact O-C 3.29Å; D315-G319 WeakPolarHBondContact O-CA 3.38Å; L317-G319 PolarHBondContact O-N 2.95Å; G319-R355 PolarHBondContact O-N 2.97Å |
| 320 | R | 84.8 | Confident | 89.8 | Confident | 108 Ų | 108 | 16.5 Ų | 16.5 | 41% | 0.408 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -95.2 | 12.6 | -169.9 | -51.6 | 175.7 | -164.3 | -130 | 5.6 | 114.4 | D315 R355 P356 E357 | D315-R320 PolarHBondContact O-N 3.49Å; D315-R320 WeakPolarHBondContact OD1-CB 3.38Å; D315-R320 PolarHBondContact OD1-N 2.92Å; R320-R355 WeakPolarHBondContact CA-O 3.49Å; R320-P356 WeakPolarHBondContact O-CA 3.34Å; R320-E357 HydrophobicContact CB-CB 4.45Å; R320-E357 WeakPolarHBondContact CD-OE2 3.49Å; R320-E357 HydrophobicContact CG-CG 4.48Å; R320-E357 IonicContact CZ-OE1 2.71Å; R320-E357 IonicContact CZ-OE2 3.25Å; R320-E357 IonicContact NE-OE1 2.77Å; R320-E357 IonicContact NE-OE2 3.85Å; R320-E357 VanDerWaalsContact NH1-CD 3.31Å; R320-E357 IonicContact NH1-OE1 3.59Å; R320-E357 PolarHBondContact NH1-OE1 3.07Å; R320-E357 VanDerWaalsContact NH1-OE1 3.14Å; R320-E357 IonicContact NH1-OE2 2.68Å; R320-E357 PolarHBondContact NH1-OE2 3.2Å; R320-E357 PolarHBondContact O-N 3.35Å |
| 321 | T | 87.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141 | -175.1 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | N82 C83 T84 D315 T323 N354 | N82-T321 HydrophobicContact CB-CG2 4.16Å; N82-T321 WeakPolarHBondContact CB-OG1 3.44Å; N82-T321 WeakPolarHBondContact O-CA 3.18Å; C83-T321 VanDerWaalsContact C-CG2 3.48Å; T84-T321 VanDerWaalsContact OG1-CG2 3.31Å; T84-T321 WeakPolarHBondContact OG1-CG2 3.46Å; D315-T321 VanDerWaalsContact O-CB 3.3Å; D315-T321 WeakPolarHBondContact O-CB 3.38Å; D315-T321 PolarHBondContact O-N 3.2Å; D315-T321 PolarHBondContact OD2-OG1 3.43Å; T321-T323 PolarHBondContact O-N 2.65Å; T321-N354 PolarHBondContact O-ND2 3.4Å |
| 322 | K | 91 | Very high | 89.8 | Confident | 16 Ų | 16 | 14.2 Ų | 14.2 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 110.4 | 170.6 | -69.1 | -172.7 | 172.3 | 178.7 | 0 | 110.1 | M73 E76 Y81 N82 C83 T84 P356 | M73-K322 HydrophobicContact CE-CB 4.48Å; M73-K322 VanDerWaalsContact CE-O 3.28Å; M73-K322 WeakPolarHBondContact CE-O 3.47Å; E76-K322 HydrophobicContact CB-CD 4.38Å; E76-K322 HydrophobicContact CG-CD 4.23Å; E76-K322 WeakPolarHBondContact OE1-CD 3.33Å; E76-K322 IonicContact OE1-NZ 3.64Å; E76-K322 PolarHBondContact OE1-NZ 2.79Å; E76-K322 IonicContact OE2-NZ 3.94Å; E76-K322 PolarHBondContact OE2-NZ 2.67Å; Y81-K322 HydrophobicContact CD1-CD 4.23Å; Y81-K322 HydrophobicContact CD2-CD 4.35Å; Y81-K322 VanDerWaalsContact CE2-NZ 3.26Å; Y81-K322 HydrophobicContact CG-CD 4.07Å; Y81-K322 VanDerWaalsContact CZ-NZ 3.27Å; N82-K322 PolarHBondContact O-N 3.5Å; C83-K322 CarbonylContact C-O 3.54Å; C83-K322 VanDerWaalsContact CA-O 3.25Å; C83-K322 WeakPolarHBondContact CA-O 3.27Å; T84-K322 PolarHBondContact N-O 3.28Å; K322-P356 HydrophobicContact CD-CB 4.17Å; K322-P356 HydrophobicContact CD-CG 4.49Å; K322-P356 HydrophobicContact CG-CB 3.33Å; K322-P356 HydrophobicContact CG-CG 3.87Å |
| 323 | T | 92.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 15.3 Ų | 15.3 | 3% | 0.025 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.9 | -170 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | I10 R11 T84 F86 S316 T321 N354 | I10-T323 HydrophobicContact CD1-CG2 3.98Å; I10-T323 HydrophobicContact CG1-CG2 4.27Å; I10-T323 HydrophobicContact CG2-CG2 3.95Å; R11-T323 PolarHBondContact N-O 3.24Å; R11-T323 VanDerWaalsContact N-O 3.1Å; T84-T323 WeakPolarHBondContact O-CA 3.39Å; F86-T323 HydrophobicContact CD2-CG2 3.74Å; F86-T323 HydrophobicContact CE2-CG2 3.53Å; S316-T323 WeakPolarHBondContact O-CB 3.43Å; S316-T323 PolarHBondContact O-OG1 3.41Å; T321-T323 PolarHBondContact O-N 2.65Å; T323-N354 PolarHBondContact OG1-ND2 2.94Å |
| 324 | S | 93.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.2 | 172.4 | -82.9 | 0 | 0 | 0 | 0 | 110.2 | R11 M73 T84 I85 F86 | R11-S324 CarbonylContact O-C 3.43Å; R11-S324 VanDerWaalsContact O-CA 3.29Å; R11-S324 WeakPolarHBondContact O-CA 3.37Å; M73-S324 VanDerWaalsContact CE-OG 3.24Å; M73-S324 WeakPolarHBondContact CE-OG 3.14Å; T84-S324 PolarHBondContact O-N 3.07Å; I85-S324 WeakPolarHBondContact CA-O 3.29Å; F86-S324 PolarHBondContact N-O 2.94Å |
| 325 | I | 93.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.6 | 172.1 | -60.8 | 169.9 | 0 | 0 | 0 | 109.3 | I10 R11 V12 A13 F86 A349 | I10-I325 HydrophobicContact CG2-CD1 3.74Å; I10-I325 HydrophobicContact CG2-CG1 3.85Å; R11-I325 PolarHBondContact O-N 2.88Å; V12-I325 WeakPolarHBondContact CA-O 3.37Å; V12-I325 HydrophobicContact CG2-CB 4.33Å; A13-I325 PolarHBondContact N-O 3.26Å; F86-I325 HydrophobicContact CB-CG1 4.15Å; F86-I325 HydrophobicContact CB-CG2 4.47Å; F86-I325 HydrophobicContact CD2-CG1 3.83Å; F86-I325 HydrophobicContact CG-CG1 4.41Å; I325-A349 HydrophobicContact CD1-CB 3.51Å |
| 326 | I | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 98.4 | 171.9 | -52.9 | 173.5 | 0 | 0 | 0 | 107.9 | A13 R15 V65 M69 I85 F86 Y88 T98 I119 T328 | A13-I326 CarbonylContact O-C 3.51Å; A13-I326 WeakPolarHBondContact O-CA 3.45Å; R15-I326 HydrophobicContact CB-CG2 4.22Å; V65-I326 HydrophobicContact CG1-CD1 4.03Å; M69-I326 HydrophobicContact CB-CD1 4.4Å; M69-I326 HydrophobicContact CE-CG1 4.19Å; I85-I326 HydrophobicContact CG2-CD1 3.97Å; I85-I326 HydrophobicContact CG2-CG1 4.44Å; F86-I326 PolarHBondContact O-N 2.96Å; Y88-I326 PolarHBondContact N-O 3.37Å; T98-I326 HydrophobicContact CG2-CD1 4.15Å; T98-I326 HydrophobicContact CG2-CG2 4.2Å; I119-I326 HydrophobicContact CD1-CD1 3.46Å; I119-I326 VanDerWaalsContact CD1-CD1 3.46Å; I326-T328 HydrophobicContact CG2-CG2 4.33Å; I326-T328 PolarHBondContact O-N 2.9Å |
| 327 | A | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 106.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A13 V14 R15 T342 A346 | A13-A327 PolarHBondContact O-N 3.03Å; V14-A327 CarbonylContact C-O 3.52Å; V14-A327 VanDerWaalsContact CA-O 3.29Å; V14-A327 WeakPolarHBondContact CA-O 3.18Å; V14-A327 HydrophobicContact CG2-CB 4.19Å; R15-A327 PolarHBondContact N-O 2.91Å; A327-T342 HydrophobicContact CB-CG2 4.08Å; A327-A346 HydrophobicContact CB-CB 3.69Å |
| 328 | T | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.4 | -178.5 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | R15 Y88 S93 K95 I326 | R15-T328 HydrophobicContact CB-CG2 4.38Å; R15-T328 WeakPolarHBondContact O-CA 3.06Å; Y88-T328 PolarHBondContact O-N 2.94Å; Y88-T328 PolarHBondContact O-OG1 2.78Å; S93-T328 VanDerWaalsContact CB-O 3.27Å; S93-T328 WeakPolarHBondContact CB-O 3.1Å; S93-T328 WeakPolarHBondContact CB-OG1 3.34Å; S93-T328 PolarHBondContact OG-OG1 2.73Å; K95-T328 WeakPolarHBondContact CG-OG1 3.26Å; I326-T328 HydrophobicContact CG2-CG2 4.33Å; I326-T328 PolarHBondContact O-N 2.9Å |
| 329 | I | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152 | -174.1 | 63.7 | 170.9 | 0 | 0 | 0 | 112.6 | V14 R15 C16 R17 V32 V39 T339 T342 L343 | V14-I329 HydrophobicContact CG1-CD1 3.54Å; V14-I329 HydrophobicContact CG1-CG1 3.8Å; V14-I329 HydrophobicContact CG1-CG2 4.36Å; R15-I329 PolarHBondContact O-N 3.01Å; C16-I329 HydrophobicContact CB-CD1 4.24Å; C16-I329 HydrophobicContact CB-CG1 3.97Å; R17-I329 PolarHBondContact N-O 2.86Å; V32-I329 HydrophobicContact CG1-CD1 4Å; V32-I329 HydrophobicContact CG2-CD1 4.41Å; V39-I329 HydrophobicContact CG1-CD1 4.17Å; I329-T339 HydrophobicContact CB-CG2 4.04Å; I329-T339 HydrophobicContact CD1-CG2 4.12Å; I329-T339 HydrophobicContact CG2-CG2 4.21Å; I329-T342 HydrophobicContact CG2-CG2 3.74Å; I329-L343 HydrophobicContact CD1-CD2 4.45Å; I329-L343 HydrophobicContact CG2-CD2 4.45Å; I329-L343 HydrophobicContact CG2-CG 4.37Å |
| 330 | S | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -90.7 | 137 | 170.1 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | R17 E23 A332 T339 | R17-S330 PolarHBondContact NH2-OG 3.12Å; E23-S330 PolarHBondContact OE1-OG 2.95Å; S330-A332 PolarHBondContact O-N 3.29Å; S330-A332 PolarHBondContact OG-N 3.19Å; S330-T339 PolarHBondContact N-OG1 2.84Å; S330-T339 PolarHBondContact O-OG1 2.92Å | ||
| 331 | P | 90.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -70.8 | -21.8 | 171.2 | 28.9 | -33.6 | 0 | 0 | 0 | 112.5 | R17 S30 C31 | R17-P331 WeakPolarHBondContact O-CD 3.28Å; R17-P331 WeakPolarHBondContact O-CG 3.3Å; S30-P331 CarbonylContact C-O 3.58Å; S30-P331 VanDerWaalsContact CA-O 3.28Å; S30-P331 WeakPolarHBondContact CA-O 3.15Å; S30-P331 PolarHBondContact OG-O 3.28Å; C31-P331 PolarHBondContact N-O 3Å; C31-P331 PolarHBondContact SG-O 3.24Å | ||
| 332 | A | 89.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 132.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E23 V28 S330 T334 S335 | E23-A332 VanDerWaalsContact CD-CB 3.5Å; E23-A332 HydrophobicContact CG-CB 3.96Å; E23-A332 WeakPolarHBondContact OE1-CB 3.42Å; V28-A332 HydrophobicContact CG1-CB 3.87Å; S330-A332 PolarHBondContact O-N 3.29Å; S330-A332 PolarHBondContact OG-N 3.19Å; A332-T334 PolarHBondContact O-N 2.82Å; A332-T334 VanDerWaalsContact O-N 3.1Å; A332-S335 WeakPolarHBondContact O-CA 3.12Å; A332-S335 WeakPolarHBondContact O-CB 3.36Å; A332-S335 PolarHBondContact O-N 2.95Å |
| 333 | M | 87.5 | Confident | 90.6 | Very high | 60 Ų | 60 | 18.5 Ų | 18.5 | 30% | 0.296 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -55.3 | -29 | 179.5 | -170.3 | 66.5 | 71.1 | 0 | 0 | 114.1 | V28 R29 C31 S335 L336 | V28-M333 HydrophobicContact CG1-CB 4.23Å; R29-M333 WeakPolarHBondContact O-CB 3.5Å; R29-M333 PolarHBondContact O-N 2.83Å; C31-M333 HydrophobicContact CB-CB 4.47Å; C31-M333 HydrophobicContact CB-CE 3.53Å; C31-M333 HydrophobicContact CB-SD 3.61Å; M333-S335 PolarHBondContact O-N 2.82Å; M333-L336 VanDerWaalsContact O-CB 3.27Å; M333-L336 WeakPolarHBondContact O-CB 3.29Å; M333-L336 PolarHBondContact O-N 3.02Å; M333-L336 HydrophobicContact SD-CB 4.48Å; M333-L336 HydrophobicContact SD-CD2 4.07Å |
| 334 | T | 85 | Confident | 90.5 | Very high | 85 Ų | 85 | 20.8 Ų | 20.8 | 52% | 0.521 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -63.1 | -23.1 | 173.6 | 49 | 0 | 0 | 0 | 0 | 113.7 | V28 R267 A332 | V28-T334 HydrophobicContact CG1-CG2 4.06Å; V28-T334 HydrophobicContact CG2-CG2 4.31Å; R267-T334 PolarHBondContact NH1-O 3.29Å; A332-T334 PolarHBondContact O-N 2.82Å; A332-T334 VanDerWaalsContact O-N 3.1Å |
| 335 | S | 84.5 | Confident | 90.3 | Very high | 11 Ų | 11 | 21.4 Ų | 21.4 | 8% | 0.077 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -102.8 | 8.1 | -179.5 | -56.6 | 0 | 0 | 0 | 0 | 113 | A332 M333 E337 E338 T339 | A332-S335 WeakPolarHBondContact O-CA 3.12Å; A332-S335 WeakPolarHBondContact O-CB 3.36Å; A332-S335 PolarHBondContact O-N 2.95Å; M333-S335 PolarHBondContact O-N 2.82Å; S335-E337 VanDerWaalsContact C-N 3.31Å; S335-E337 PolarHBondContact O-N 3.49Å; S335-E338 PolarHBondContact O-N 3.5Å; S335-E338 VanDerWaalsContact O-N 3.16Å; S335-T339 WeakPolarHBondContact O-CB 3.33Å; S335-T339 PolarHBondContact O-N 2.81Å |
| 336 | L | 87.9 | Confident | 90.3 | Very high | 33 Ų | 33 | 21.2 Ų | 21.2 | 17% | 0.173 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -49.2 | -48.4 | -176 | 172 | 64.7 | 0 | 0 | 0 | 113.1 | C31 V41 D43 M333 T339 L340 | C31-L336 HydrophobicContact CB-CD1 4.13Å; V41-L336 HydrophobicContact CG1-CD1 3.33Å; D43-L336 HydrophobicContact CB-CD2 3.93Å; M333-L336 VanDerWaalsContact O-CB 3.27Å; M333-L336 WeakPolarHBondContact O-CB 3.29Å; M333-L336 PolarHBondContact O-N 3.02Å; M333-L336 HydrophobicContact SD-CB 4.48Å; M333-L336 HydrophobicContact SD-CD2 4.07Å; L336-T339 PolarHBondContact O-N 2.88Å; L336-L340 HydrophobicContact CD1-CD1 4.04Å; L336-L340 HydrophobicContact CD1-CG 4.22Å; L336-L340 HydrophobicContact CG-CD1 4.25Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 3.3Å |
| 337 | E | 87.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 24.7 Ų | 24.7 | 47% | 0.472 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.4 | -46.4 | -179.3 | -173.5 | 179.3 | 179.1 | 0 | 0 | 112.3 | R267 S335 L340 S341 | R267-E337 IonicContact CZ-OE2 3.64Å; R267-E337 IonicContact NE-OE2 3.48Å; R267-E337 IonicContact NH2-OE2 2.79Å; R267-E337 PolarHBondContact NH2-OE2 2.81Å; S335-E337 VanDerWaalsContact C-N 3.31Å; S335-E337 PolarHBondContact O-N 3.49Å; E337-L340 PolarHBondContact O-N 3.17Å; E337-S341 WeakPolarHBondContact O-CB 3.42Å; E337-S341 PolarHBondContact O-N 3.48Å |
| 338 | E | 87.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.4 | -38.1 | 179.7 | -65.1 | -65.5 | 173.7 | 0 | 0 | 112.2 | Q90 E263 N264 S335 S341 T342 | Q90-E338 HydrophobicContact CB-CB 4.21Å; E263-E338 VanDerWaalsContact CA-OE1 3.31Å; E263-E338 WeakPolarHBondContact CA-OE1 3.36Å; E263-E338 WeakPolarHBondContact CA-OE2 3.18Å; E263-E338 HydrophobicContact CB-CG 4.44Å; E263-E338 WeakPolarHBondContact CB-OE1 3.44Å; N264-E338 PolarHBondContact N-OE1 2.83Å; S335-E338 PolarHBondContact O-N 3.5Å; S335-E338 VanDerWaalsContact O-N 3.16Å; E338-S341 PolarHBondContact O-N 2.64Å; E338-T342 VanDerWaalsContact O-CB 3.29Å; E338-T342 WeakPolarHBondContact O-CB 3.47Å; E338-T342 PolarHBondContact O-N 2.83Å; E338-T342 PolarHBondContact O-OG1 2.77Å |
| 339 | T | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.5 | -42.4 | 171.5 | -79 | 0 | 0 | 0 | 0 | 110.8 | V32 V41 I329 S330 S335 L336 T342 L343 | V32-T339 HydrophobicContact CG2-CG2 3.98Å; V41-T339 HydrophobicContact CG2-CG2 4.48Å; I329-T339 HydrophobicContact CB-CG2 4.04Å; I329-T339 HydrophobicContact CD1-CG2 4.12Å; I329-T339 HydrophobicContact CG2-CG2 4.21Å; S330-T339 PolarHBondContact N-OG1 2.84Å; S330-T339 PolarHBondContact O-OG1 2.92Å; S335-T339 WeakPolarHBondContact O-CB 3.33Å; S335-T339 PolarHBondContact O-N 2.81Å; L336-T339 PolarHBondContact O-N 2.88Å; T339-T342 PolarHBondContact O-N 2.87Å; T339-L343 HydrophobicContact CG2-CD1 3.76Å; T339-L343 WeakPolarHBondContact O-CB 3.5Å; T339-L343 WeakPolarHBondContact O-CD1 3.19Å; T339-L343 WeakPolarHBondContact O-CG 3.17Å; T339-L343 PolarHBondContact O-N 3.41Å |
| 340 | L | 90.5 | Very high | 89.6 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 174.6 | -76.8 | 177.7 | 0 | 0 | 0 | 111.9 | V41 K48 F50 L336 E337 T342 L343 D344 | V41-L340 HydrophobicContact CB-CD2 3.96Å; V41-L340 HydrophobicContact CG1-CD2 3.81Å; V41-L340 HydrophobicContact CG1-CG 4.18Å; V41-L340 HydrophobicContact CG2-CD2 4.14Å; K48-L340 HydrophobicContact CB-CD2 4.48Å; K48-L340 HydrophobicContact CD-CD2 3.98Å; F50-L340 HydrophobicContact CE2-CD2 3.95Å; F50-L340 HydrophobicContact CZ-CD2 4.29Å; L336-L340 HydrophobicContact CD1-CD1 4.04Å; L336-L340 HydrophobicContact CD1-CG 4.22Å; L336-L340 HydrophobicContact CG-CD1 4.25Å; L336-L340 WeakPolarHBondContact O-CB 3.43Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 3.3Å; E337-L340 PolarHBondContact O-N 3.17Å; L340-T342 VanDerWaalsContact C-N 3.29Å; L340-T342 PolarHBondContact O-N 3.4Å; L340-L343 PolarHBondContact O-N 3.08Å; L340-L343 VanDerWaalsContact O-N 3.09Å; L340-D344 WeakPolarHBondContact O-CB 3.19Å; L340-D344 PolarHBondContact O-N 3.47Å |
| 341 | S | 89.1 | Confident | 89.5 | Confident | 49 Ų | 49 | 35.4 Ų | 35.4 | 34% | 0.343 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.7 | -44.8 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | E337 E338 L343 Y345 | E337-S341 WeakPolarHBondContact O-CB 3.42Å; E337-S341 PolarHBondContact O-N 3.48Å; E338-S341 PolarHBondContact O-N 2.64Å; S341-L343 VanDerWaalsContact C-N 3.34Å; S341-L343 PolarHBondContact O-N 3.35Å; S341-Y345 VanDerWaalsContact O-CB 3.24Å; S341-Y345 WeakPolarHBondContact O-CB 3.24Å; S341-Y345 PolarHBondContact O-N 3.41Å |
| 342 | T | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | Y88 A327 I329 E338 T339 L340 A346 | Y88-T342 HydrophobicContact CD1-CG2 4.08Å; Y88-T342 HydrophobicContact CE1-CG2 4.26Å; A327-T342 HydrophobicContact CB-CG2 4.08Å; I329-T342 HydrophobicContact CG2-CG2 3.74Å; E338-T342 VanDerWaalsContact O-CB 3.29Å; E338-T342 WeakPolarHBondContact O-CB 3.47Å; E338-T342 PolarHBondContact O-N 2.83Å; E338-T342 PolarHBondContact O-OG1 2.77Å; T339-T342 PolarHBondContact O-N 2.87Å; L340-T342 VanDerWaalsContact C-N 3.29Å; L340-T342 PolarHBondContact O-N 3.4Å; T342-A346 WeakPolarHBondContact O-CB 3.4Å; T342-A346 PolarHBondContact O-N 2.99Å |
| 343 | L | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.7 | -42.8 | 179.2 | -67.7 | 164.2 | 0 | 0 | 0 | 112.7 | V14 V39 V41 F50 F52 I329 T339 L340 S341 Y345 A346 H347 | V14-L343 HydrophobicContact CG1-CD2 4.14Å; V14-L343 HydrophobicContact CG2-CD2 3.66Å; V39-L343 HydrophobicContact CB-CD2 4.3Å; V39-L343 HydrophobicContact CG1-CD1 3.93Å; V39-L343 HydrophobicContact CG1-CD2 4.09Å; V39-L343 HydrophobicContact CG2-CD2 4.28Å; V41-L343 HydrophobicContact CG2-CD1 3.49Å; V41-L343 VanDerWaalsContact CG2-CD1 3.49Å; F50-L343 HydrophobicContact CD1-CB 4.25Å; F50-L343 HydrophobicContact CD2-CB 3.97Å; F50-L343 HydrophobicContact CD2-CD1 3.98Å; F50-L343 HydrophobicContact CD2-CG 4.44Å; F50-L343 HydrophobicContact CE1-CB 4.06Å; F50-L343 HydrophobicContact CE2-CB 3.77Å; F50-L343 HydrophobicContact CE2-CD1 3.95Å; F50-L343 HydrophobicContact CE2-CG 4.47Å; F50-L343 HydrophobicContact CG-CB 4.2Å; F50-L343 HydrophobicContact CZ-CB 3.8Å; F52-L343 HydrophobicContact CE2-CD2 3.57Å; F52-L343 HydrophobicContact CZ-CB 4.45Å; F52-L343 HydrophobicContact CZ-CD2 3.75Å; I329-L343 HydrophobicContact CD1-CD2 4.45Å; I329-L343 HydrophobicContact CG2-CD2 4.45Å; I329-L343 HydrophobicContact CG2-CG 4.37Å; T339-L343 HydrophobicContact CG2-CD1 3.76Å; T339-L343 WeakPolarHBondContact O-CB 3.5Å; T339-L343 WeakPolarHBondContact O-CD1 3.19Å; T339-L343 WeakPolarHBondContact O-CG 3.17Å; T339-L343 PolarHBondContact O-N 3.41Å; L340-L343 PolarHBondContact O-N 3.08Å; L340-L343 VanDerWaalsContact O-N 3.09Å; S341-L343 VanDerWaalsContact C-N 3.34Å; S341-L343 PolarHBondContact O-N 3.35Å; L343-Y345 VanDerWaalsContact C-N 3.28Å; L343-Y345 PolarHBondContact O-N 2.91Å; L343-A346 PolarHBondContact O-N 3.38Å; L343-H347 VanDerWaalsContact O-CB 3.22Å; L343-H347 WeakPolarHBondContact O-CB 3.33Å; L343-H347 PolarHBondContact O-N 3.38Å |
| 344 | D | 91 | Very high | 89.3 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.8 | -28.1 | 175.5 | -73.6 | -53.4 | 0 | 0 | 0 | 111.6 | K48 F50 L340 R348 | K48-D344 IonicContact NZ-OD1 3.44Å; K48-D344 PolarHBondContact NZ-OD1 3.02Å; K48-D344 IonicContact NZ-OD2 3Å; K48-D344 PolarHBondContact NZ-OD2 2.87Å; F50-D344 VanDerWaalsContact CE1-OD1 3.23Å; F50-D344 WeakPolarHBondContact CE1-OD1 3.41Å; F50-D344 WeakPolarHBondContact CZ-OD1 3.28Å; L340-D344 WeakPolarHBondContact O-CB 3.19Å; L340-D344 PolarHBondContact O-N 3.47Å; D344-R348 PolarHBondContact O-N 3.36Å; D344-R348 PolarHBondContact O-NE 3.45Å |
| 345 | Y | 90 | Very high | 89.4 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.5 | -51.3 | 168.4 | 176.5 | -81.4 | 0 | 0 | 0 | 111.7 | Y88 L288 I292 S341 L343 H347 R348 A349 | Y88-Y345 AromaticContact CD1-CD1 3.42Å; Y88-Y345 HydrophobicContact CD1-CD1 3.42Å; Y88-Y345 VanDerWaalsContact CD1-CD1 3.42Å; Y88-Y345 AromaticContact CD1-CE1 3.5Å; Y88-Y345 HydrophobicContact CD1-CE1 3.5Å; Y88-Y345 HydrophobicContact CD1-CG 4.16Å; Y88-Y345 HydrophobicContact CD2-CE1 4.04Å; Y88-Y345 AromaticContact CE1-CD1 3.2Å; Y88-Y345 HydrophobicContact CE1-CD1 3.2Å; Y88-Y345 AromaticContact CE1-CD2 3.98Å; Y88-Y345 HydrophobicContact CE1-CD2 3.98Å; Y88-Y345 AromaticContact CE1-CE1 3.54Å; Y88-Y345 HydrophobicContact CE1-CE1 3.54Å; Y88-Y345 HydrophobicContact CE1-CE2 4.25Å; Y88-Y345 AromaticContact CE1-CG 3.44Å; Y88-Y345 HydrophobicContact CE1-CG 3.44Å; Y88-Y345 VanDerWaalsContact CE1-CG 3.44Å; Y88-Y345 HydrophobicContact CE2-CD1 4.49Å; Y88-Y345 HydrophobicContact CE2-CE1 4.06Å; Y88-Y345 HydrophobicContact CE2-CE2 4.13Å; Y88-Y345 AromaticContact CE2-CZ 3.84Å; Y88-Y345 HydrophobicContact CG-CD1 4.18Å; Y88-Y345 AromaticContact CG-CE1 3.77Å; Y88-Y345 HydrophobicContact CG-CE1 3.77Å; Y88-Y345 AromaticContact CZ-CD1 3.79Å; Y88-Y345 AromaticContact CZ-CD2 3.8Å; Y88-Y345 AromaticContact CZ-CE1 3.81Å; Y88-Y345 AromaticContact CZ-CE2 3.81Å; Y88-Y345 AromaticContact CZ-CG 3.78Å; Y88-Y345 AromaticContact CZ-CZ 3.79Å; L288-Y345 WeakPolarHBondContact CD2-OH 3.38Å; L288-Y345 WeakPolarHBondContact CG-OH 3.31Å; I292-Y345 HydrophobicContact CD1-CD2 4.41Å; I292-Y345 HydrophobicContact CD1-CE1 3.83Å; I292-Y345 HydrophobicContact CD1-CE2 3.58Å; I292-Y345 WeakPolarHBondContact CD1-OH 3.41Å; S341-Y345 VanDerWaalsContact O-CB 3.24Å; S341-Y345 WeakPolarHBondContact O-CB 3.24Å; S341-Y345 PolarHBondContact O-N 3.41Å; L343-Y345 VanDerWaalsContact C-N 3.28Å; L343-Y345 PolarHBondContact O-N 2.91Å; Y345-H347 VanDerWaalsContact C-N 3.29Å; Y345-H347 PolarHBondContact O-N 3.29Å; Y345-R348 PolarHBondContact O-N 3.33Å; Y345-A349 PolarHBondContact O-N 2.84Å |
| 346 | A | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V12 F52 A327 T342 L343 A349 K350 | V12-A346 HydrophobicContact CG1-CB 3.83Å; F52-A346 HydrophobicContact CE1-CB 3.72Å; F52-A346 HydrophobicContact CZ-CB 4.21Å; A327-A346 HydrophobicContact CB-CB 3.69Å; T342-A346 WeakPolarHBondContact O-CB 3.4Å; T342-A346 PolarHBondContact O-N 2.99Å; L343-A346 PolarHBondContact O-N 3.38Å; A346-A349 PolarHBondContact O-N 3.15Å; A346-K350 PolarHBondContact O-N 2.78Å |
| 347 | H | 91.4 | Very high | 89 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 34% | 0.338 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.6 | -38.8 | 178.3 | -174.3 | 63.7 | 0 | 0 | 0 | 112.2 | F50 F52 L343 Y345 | F50-H347 HydrophobicContact CD1-CB 4.18Å; F52-H347 HydrophobicContact CE1-CB 4.26Å; F52-H347 HydrophobicContact CZ-CB 4.38Å; L343-H347 VanDerWaalsContact O-CB 3.22Å; L343-H347 WeakPolarHBondContact O-CB 3.33Å; L343-H347 PolarHBondContact O-N 3.38Å; Y345-H347 VanDerWaalsContact C-N 3.29Å; Y345-H347 PolarHBondContact O-N 3.29Å |
| 348 | R | 90.7 | Very high | 88.7 | Confident | 100 Ų | 100 | 40 Ų | 40 | 38% | 0.377 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64 | -48.2 | 170.6 | -78.1 | 179.2 | -74.4 | 168.3 | -7.8 | 111.6 | I292 T293 V296 D344 Y345 K350 N351 | I292-R348 HydrophobicContact CG2-CB 4.11Å; T293-R348 PolarHBondContact OG1-NH1 3.4Å; T293-R348 VanDerWaalsContact OG1-NH1 3.14Å; V296-R348 VanDerWaalsContact CG2-O 3.28Å; V296-R348 WeakPolarHBondContact CG2-O 3.25Å; D344-R348 PolarHBondContact O-N 3.36Å; D344-R348 PolarHBondContact O-NE 3.45Å; Y345-R348 PolarHBondContact O-N 3.33Å; R348-K350 PolarHBondContact O-N 2.88Å; R348-N351 WeakPolarHBondContact O-CB 3.33Å; R348-N351 PolarHBondContact O-N 3.41Å |
| 349 | A | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -28.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I292 I325 Y345 A346 N351 I352 | I292-A349 HydrophobicContact CD1-CB 4.31Å; I292-A349 HydrophobicContact CG2-CB 4.24Å; I325-A349 HydrophobicContact CD1-CB 3.51Å; Y345-A349 PolarHBondContact O-N 2.84Å; A346-A349 PolarHBondContact O-N 3.15Å; A349-N351 PolarHBondContact O-N 3.16Å; A349-I352 WeakPolarHBondContact O-CB 3.35Å; A349-I352 PolarHBondContact O-N 2.95Å; A349-I352 VanDerWaalsContact O-N 3.15Å |
| 350 | K | 90.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 44 Ų | 44 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.8 | 173.4 | -179.2 | 165.9 | 167.9 | 164.1 | 0 | 113.9 | N9 V12 D53 A346 R348 | N9-K350 PolarHBondContact ND2-O 2.97Å; N9-K350 VanDerWaalsContact ND2-O 3.07Å; V12-K350 HydrophobicContact CB-CB 4.19Å; V12-K350 HydrophobicContact CG2-CB 3.68Å; V12-K350 HydrophobicContact CG2-CG 4.4Å; D53-K350 VanDerWaalsContact OD1-CE 3.24Å; D53-K350 WeakPolarHBondContact OD1-CE 3.49Å; D53-K350 IonicContact OD1-NZ 3.14Å; D53-K350 PolarHBondContact OD1-NZ 2.76Å; D53-K350 IonicContact OD2-NZ 3.75Å; A346-K350 PolarHBondContact O-N 2.78Å; R348-K350 PolarHBondContact O-N 2.88Å |
| 351 | N | 89.9 | Confident | 85.5 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2.4 | 179.6 | -60.7 | -18.8 | 0 | 0 | 0 | 113.1 | V296 R348 A349 | V296-N351 HydrophobicContact CG1-CB 4.07Å; V296-N351 HydrophobicContact CG2-CB 4.1Å; R348-N351 WeakPolarHBondContact O-CB 3.33Å; R348-N351 PolarHBondContact O-N 3.41Å; A349-N351 PolarHBondContact O-N 3.16Å |
| 352 | I | 89.1 | Confident | 84 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -78.6 | 127.3 | 172.9 | -62.5 | 174 | 0 | 0 | 0 | 109.5 | N9 I10 I292 L295 V296 A349 | N9-I352 VanDerWaalsContact CA-O 3.31Å; N9-I352 WeakPolarHBondContact CA-O 3.33Å; I10-I352 HydrophobicContact CD1-CB 3.78Å; I10-I352 HydrophobicContact CD1-CD1 4.2Å; I10-I352 HydrophobicContact CD1-CG2 3.73Å; I10-I352 HydrophobicContact CG1-CB 4.09Å; I10-I352 HydrophobicContact CG1-CG2 4.17Å; I10-I352 PolarHBondContact N-O 3.43Å; I292-I352 HydrophobicContact CB-CD1 4.03Å; I292-I352 HydrophobicContact CG1-CD1 3.71Å; I292-I352 HydrophobicContact CG2-CD1 4.03Å; L295-I352 HydrophobicContact CB-CD1 4.18Å; L295-I352 HydrophobicContact CB-CG1 4.02Å; L295-I352 HydrophobicContact CB-CG2 4.29Å; L295-I352 HydrophobicContact CD1-CD1 4.1Å; L295-I352 HydrophobicContact CD1-CG2 4.17Å; V296-I352 HydrophobicContact CG2-CG1 3.7Å; A349-I352 WeakPolarHBondContact O-CB 3.35Å; A349-I352 PolarHBondContact O-N 2.95Å; A349-I352 VanDerWaalsContact O-N 3.15Å |
| 353 | E | 87 | Confident | 82.4 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.5 | 171.3 | -60.8 | -175.9 | 167.3 | 0 | 0 | 110.9 | Q7 | Q7-E353 HydrophobicContact CB-CB 4.32Å; Q7-E353 PolarHBondContact NE2-OE2 2.85Å |
| 354 | N | 87.5 | Confident | 80.5 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 161 | 165.4 | -72.7 | 11.7 | 0 | 0 | 0 | 109.7 | Q8 S316 G318 T321 T323 P356 | Q8-N354 PolarHBondContact N-O 3.48Å; Q8-N354 PolarHBondContact O-N 2.92Å; S316-N354 PolarHBondContact O-ND2 3.43Å; G318-N354 WeakPolarHBondContact CA-OD1 3.37Å; G318-N354 PolarHBondContact N-OD1 3.29Å; T321-N354 PolarHBondContact O-ND2 3.4Å; T323-N354 PolarHBondContact OG1-ND2 2.94Å; N354-P356 VanDerWaalsContact C-CD 3.5Å; N354-P356 WeakPolarHBondContact O-CD 3.28Å |
| 355 | R | 85.2 | Confident | 79.1 | Confident | 155 Ų | 155 | 56.4 Ų | 56.4 | 59% | 0.585 | 27% | 0.269 | S | S | * | . | trans | -119.2 | 75.2 | 176 | -67.9 | -175.2 | 178.9 | -170.1 | -3.3 | 109.6 | Q7 G319 R320 E357 | Q7-R355 HydrophobicContact CG-CG 3.92Å; Q7-R355 VanDerWaalsContact NE2-NH2 3.15Å; G319-R355 PolarHBondContact O-N 2.97Å; R320-R355 WeakPolarHBondContact CA-O 3.49Å; R355-E357 PolarHBondContact O-N 3.16Å | ||
| 356 | P | 83.2 | Confident | 77.7 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | trans | -68.7 | 118.4 | -171.1 | 27.8 | -34.8 | 0 | 0 | 0 | 112.1 | Q8 Y81 R320 K322 N354 | Q8-P356 HydrophobicContact CB-CG 4.08Å; Y81-P356 HydrophobicContact CD1-CB 4.21Å; Y81-P356 HydrophobicContact CE1-CB 4.37Å; R320-P356 WeakPolarHBondContact O-CA 3.34Å; K322-P356 HydrophobicContact CD-CB 4.17Å; K322-P356 HydrophobicContact CD-CG 4.49Å; K322-P356 HydrophobicContact CG-CB 3.33Å; K322-P356 HydrophobicContact CG-CG 3.87Å; N354-P356 VanDerWaalsContact C-CD 3.5Å; N354-P356 WeakPolarHBondContact O-CD 3.28Å | ||
| 357 | E | 81.6 | Confident | 75.8 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | trans | -105.1 | 146.1 | 179 | -67 | 172.9 | -160 | 0 | 0 | 110.2 | Y81 R320 R355 | Y81-E357 WeakPolarHBondContact CD1-O 3.49Å; R320-E357 HydrophobicContact CB-CB 4.45Å; R320-E357 WeakPolarHBondContact CD-OE2 3.49Å; R320-E357 HydrophobicContact CG-CG 4.48Å; R320-E357 IonicContact CZ-OE1 2.71Å; R320-E357 IonicContact CZ-OE2 3.25Å; R320-E357 IonicContact NE-OE1 2.77Å; R320-E357 IonicContact NE-OE2 3.85Å; R320-E357 VanDerWaalsContact NH1-CD 3.31Å; R320-E357 IonicContact NH1-OE1 3.59Å; R320-E357 PolarHBondContact NH1-OE1 3.07Å; R320-E357 VanDerWaalsContact NH1-OE1 3.14Å; R320-E357 IonicContact NH1-OE2 2.68Å; R320-E357 PolarHBondContact NH1-OE2 3.2Å; R320-E357 PolarHBondContact O-N 3.35Å; R355-E357 PolarHBondContact O-N 3.16Å | ||
| 358 | I | 81.1 | Confident | 74.3 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 33% | 0.328 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 130 | 169.2 | -60 | 178.5 | 0 | 0 | 0 | 109.1 | M79 Y81 A360 | M79-I358 WeakPolarHBondContact O-CG2 3.48Å; Y81-I358 HydrophobicContact CD1-CG1 3.97Å; Y81-I358 HydrophobicContact CD2-CG1 4.28Å; Y81-I358 HydrophobicContact CE1-CD1 4.44Å; Y81-I358 HydrophobicContact CE1-CG1 3.47Å; Y81-I358 VanDerWaalsContact CE1-CG1 3.47Å; Y81-I358 HydrophobicContact CE2-CD1 4.14Å; Y81-I358 HydrophobicContact CE2-CG1 3.81Å; Y81-I358 HydrophobicContact CG-CG1 4.36Å; I358-A360 PolarHBondContact O-N 2.9Å |
| 359 | N | 73.7 | Confident | 73.2 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 10% | 0.096 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 126.7 | 173 | -78.1 | -81.7 | 0 | 0 | 0 | 110.3 | G80 N82 R173 I251 R361 | G80-N359 WeakPolarHBondContact O-CB 3.37Å; G80-N359 PolarHBondContact O-N 3.14Å; G80-N359 PolarHBondContact O-ND2 3.12Å; N82-N359 PolarHBondContact OD1-ND2 3.15Å; R173-N359 PolarHBondContact NH1-OD1 3Å; I251-N359 WeakPolarHBondContact O-CB 3.42Å; I251-N359 PolarHBondContact O-ND2 3.23Å; N359-R361 PolarHBondContact O-N 3.1Å |
| 360 | A | 63.4 | Low | 71.8 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 128.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | I358 L362 | I358-A360 PolarHBondContact O-N 2.9Å; A360-L362 PolarHBondContact O-N 3.25Å; A360-L362 VanDerWaalsContact O-N 3.15Å |
| 361 | R | 64.2 | Low | 70.3 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | trans | -66.7 | 112.1 | 178.1 | -57.8 | -177.6 | -177.6 | -154.7 | -8.8 | 108.4 | E239 L248 N359 N363 | E239-R361 IonicContact OE1-CZ 3.74Å; E239-R361 IonicContact OE1-NH1 3.11Å; E239-R361 PolarHBondContact OE1-NH1 2.97Å; E239-R361 IonicContact OE1-NH2 3.74Å; E239-R361 PolarHBondContact OE1-NH2 3.07Å; E239-R361 IonicContact OE2-CZ 3.67Å; E239-R361 VanDerWaalsContact OE2-CZ 3.25Å; E239-R361 IonicContact OE2-NE 2.89Å; E239-R361 IonicContact OE2-NH1 2.65Å; E239-R361 PolarHBondContact OE2-NH1 3.17Å; E239-R361 IonicContact OE2-NH2 2.97Å; L248-R361 HydrophobicContact CB-CB 4.46Å; L248-R361 HydrophobicContact CD2-CB 3.93Å; N359-R361 PolarHBondContact O-N 3.1Å; R361-N363 PolarHBondContact O-N 3.31Å | ||
| 362 | L | 57.6 | Low | 69.3 | Low | 68 Ų | 68 | 66.6 Ų | 66.6 | 36% | 0.356 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 106.5 | -179.4 | -68.7 | 173.7 | 0 | 0 | 0 | 109 | L249 I251 A360 | L249-L362 HydrophobicContact CB-CB 4.32Å; L249-L362 WeakPolarHBondContact CB-O 3.37Å; L249-L362 PolarHBondContact N-O 3.07Å; L249-L362 PolarHBondContact O-N 3.31Å; I251-L362 HydrophobicContact CD1-CD1 4.07Å; A360-L362 PolarHBondContact O-N 3.25Å; A360-L362 VanDerWaalsContact O-N 3.15Å |
| 363 | N | 57.8 | Low | 68.3 | Low | 18 Ų | 18 | 71.6 Ų | 71.6 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 140.2 | 174.2 | -133.7 | -1.6 | 0 | 0 | 0 | 108.9 | E246 L248 R361 T365 D366 L367 | E246-N363 WeakPolarHBondContact CB-OD1 3.19Å; E246-N363 PolarHBondContact OE1-ND2 3.24Å; E246-N363 VanDerWaalsContact OE1-ND2 3.08Å; E246-N363 PolarHBondContact OE2-ND2 3.5Å; L248-N363 HydrophobicContact CD2-CB 4.11Å; L248-N363 VanDerWaalsContact CD2-OD1 3.29Å; L248-N363 WeakPolarHBondContact CD2-OD1 3.42Å; R361-N363 PolarHBondContact O-N 3.31Å; N363-T365 WeakPolarHBondContact CB-OG1 3.43Å; N363-T365 PolarHBondContact ND2-OG1 3.45Å; N363-T365 PolarHBondContact O-N 3.42Å; N363-D366 HydrophobicContact CB-CB 4.16Å; N363-D366 WeakPolarHBondContact CB-OD2 3.22Å; N363-D366 WeakPolarHBondContact O-CB 3.43Å; N363-D366 PolarHBondContact O-N 3.44Å; N363-L367 PolarHBondContact O-N 3.01Å; N363-L367 VanDerWaalsContact O-N 3.09Å |
| 364 | K | 53.9 | Low | 67.2 | Low | 125 Ų | 125 | 71.2 Ų | 71.2 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.2 | -33.7 | 173.1 | 179.8 | 177.5 | 178.5 | -174.7 | 0 | 111.7 | E247 V368 | E247-K364 HydrophobicContact CB-CB 4.41Å; E247-K364 HydrophobicContact CB-CD 4.43Å; E247-K364 PolarHBondContact O-N 3.35Å; E247-K364 VanDerWaalsContact O-N 3.16Å; E247-K364 WeakPolarHBondContact OE2-CD 3.28Å; E247-K364 WeakPolarHBondContact OE2-CE 3.37Å; E247-K364 IonicContact OE2-NZ 3.59Å; E247-K364 PolarHBondContact OE2-NZ 3.23Å; K364-V368 WeakPolarHBondContact O-CG2 3.36Å; K364-V368 PolarHBondContact O-N 3.45Å; K364-V368 VanDerWaalsContact O-N 3.11Å |
| 365 | T | 60.9 | Low | 66 | Low | 69 Ų | 69 | 71.4 Ų | 71.4 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 170.4 | 35.5 | 0 | 0 | 0 | 0 | 111.9 | E246 N363 V368 K369 | E246-T365 WeakPolarHBondContact OE1-CB 3.46Å; E246-T365 WeakPolarHBondContact OE1-CG2 3.31Å; E246-T365 PolarHBondContact OE1-OG1 3.16Å; N363-T365 WeakPolarHBondContact CB-OG1 3.43Å; N363-T365 PolarHBondContact ND2-OG1 3.45Å; N363-T365 PolarHBondContact O-N 3.42Å; T365-V368 CarbonylContact O-C 3.55Å; T365-V368 PolarHBondContact O-N 3.49Å; T365-K369 WeakPolarHBondContact O-CA 3.4Å; T365-K369 WeakPolarHBondContact O-CB 3.47Å; T365-K369 PolarHBondContact O-N 2.91Å |
| 366 | D | 59.8 | Low | 65.4 | Low | 82 Ų | 82 | 68 Ų | 68 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.6 | -67.7 | -37.6 | 0 | 0 | 0 | 112.8 | N363 V368 K369 G370 | N363-D366 HydrophobicContact CB-CB 4.16Å; N363-D366 WeakPolarHBondContact CB-OD2 3.22Å; N363-D366 WeakPolarHBondContact O-CB 3.43Å; N363-D366 PolarHBondContact O-N 3.44Å; D366-V368 VanDerWaalsContact C-N 3.34Å; D366-V368 PolarHBondContact O-N 3.48Å; D366-K369 WeakPolarHBondContact O-CB 3.35Å; D366-K369 PolarHBondContact O-N 3.33Å; D366-G370 PolarHBondContact O-N 2.93Å |
| 367 | L | 53.5 | Low | 64.8 | Low | 95 Ų | 95 | 71.9 Ų | 71.9 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.1 | -113.9 | 162.8 | 0 | 0 | 0 | 111.7 | N363 Y371 | N363-L367 PolarHBondContact O-N 3.01Å; N363-L367 VanDerWaalsContact O-N 3.09Å; L367-Y371 HydrophobicContact CD2-CE2 4.44Å; L367-Y371 WeakPolarHBondContact O-CD2 3.5Å |
| 368 | V | 60.1 | Low | 64 | Low | 44 Ų | 44 | 68.9 Ų | 68.9 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.7 | -33.1 | 173 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | K364 T365 D366 Y371 N372 Y478 | K364-V368 WeakPolarHBondContact O-CG2 3.36Å; K364-V368 PolarHBondContact O-N 3.45Å; K364-V368 VanDerWaalsContact O-N 3.11Å; T365-V368 CarbonylContact O-C 3.55Å; T365-V368 PolarHBondContact O-N 3.49Å; D366-V368 VanDerWaalsContact C-N 3.34Å; D366-V368 PolarHBondContact O-N 3.48Å; V368-Y371 PolarHBondContact O-N 3.31Å; V368-N372 WeakPolarHBondContact O-CB 3.3Å; V368-N372 PolarHBondContact O-N 2.84Å; V368-Y478 WeakPolarHBondContact CG1-OH 3.29Å |
| 369 | K | 66.4 | Low | 63.7 | Low | 102 Ų | 102 | 70.6 Ų | 70.6 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 178.7 | -177.2 | 172.8 | 179.1 | -79.6 | 0 | 111.6 | T365 D366 Y371 N372 E373 | T365-K369 WeakPolarHBondContact O-CA 3.4Å; T365-K369 WeakPolarHBondContact O-CB 3.47Å; T365-K369 PolarHBondContact O-N 2.91Å; D366-K369 WeakPolarHBondContact O-CB 3.35Å; D366-K369 PolarHBondContact O-N 3.33Å; K369-Y371 VanDerWaalsContact C-N 3.33Å; K369-Y371 PolarHBondContact O-N 3.48Å; K369-N372 CarbonylContact O-C 3.57Å; K369-N372 PolarHBondContact O-N 3.43Å; K369-N372 VanDerWaalsContact O-N 3.14Å; K369-E373 VanDerWaalsContact CE-OE1 3.31Å; K369-E373 WeakPolarHBondContact CE-OE1 3.45Å; K369-E373 HydrophobicContact CG-CG 4.3Å; K369-E373 WeakPolarHBondContact CG-OE1 3.36Å; K369-E373 IonicContact NZ-OE1 2.67Å; K369-E373 PolarHBondContact NZ-OE1 3.22Å; K369-E373 WeakPolarHBondContact O-CB 3.31Å; K369-E373 VanDerWaalsContact O-CG 3.3Å; K369-E373 WeakPolarHBondContact O-CG 3.42Å; K369-E373 PolarHBondContact O-N 2.83Å |
| 370 | G | 60.7 | Low | 63.6 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D366 E374 | D366-G370 PolarHBondContact O-N 2.93Å; G370-E374 PolarHBondContact O-N 2.92Å |
| 371 | Y | 59.8 | Low | 63.9 | Low | 99 Ų | 99 | 72.1 Ų | 72.1 | 39% | 0.388 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 171.6 | -72.8 | -65 | 0 | 0 | 0 | 112.3 | L367 V368 K369 L375 L482 | L367-Y371 HydrophobicContact CD2-CE2 4.44Å; L367-Y371 WeakPolarHBondContact O-CD2 3.5Å; V368-Y371 PolarHBondContact O-N 3.31Å; K369-Y371 VanDerWaalsContact C-N 3.33Å; K369-Y371 PolarHBondContact O-N 3.48Å; Y371-L375 WeakPolarHBondContact O-CB 3.23Å; Y371-L375 VanDerWaalsContact O-CG 3.3Å; Y371-L375 WeakPolarHBondContact O-CG 3.38Å; Y371-L375 PolarHBondContact O-N 2.75Å; Y371-L482 HydrophobicContact CD1-CD1 4.39Å |
| 372 | N | 68.2 | Low | 64.1 | Low | 67 Ų | 67 | 67.3 Ų | 67.3 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.4 | -34.1 | 177.2 | -74.3 | -16.4 | 0 | 0 | 0 | 112.9 | V368 K369 L375 E376 | V368-N372 WeakPolarHBondContact O-CB 3.3Å; V368-N372 PolarHBondContact O-N 2.84Å; K369-N372 CarbonylContact O-C 3.57Å; K369-N372 PolarHBondContact O-N 3.43Å; K369-N372 VanDerWaalsContact O-N 3.14Å; N372-L375 PolarHBondContact O-N 3.2Å; N372-E376 WeakPolarHBondContact O-CB 3.32Å; N372-E376 WeakPolarHBondContact O-CG 3.28Å; N372-E376 PolarHBondContact O-N 3.19Å |
| 373 | E | 69.6 | Low | 64.9 | Low | 105 Ų | 105 | 68.6 Ų | 68.6 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 178.1 | -77.9 | 170.1 | 179 | 0 | 0 | 111.2 | K369 R377 | K369-E373 VanDerWaalsContact CE-OE1 3.31Å; K369-E373 WeakPolarHBondContact CE-OE1 3.45Å; K369-E373 HydrophobicContact CG-CG 4.3Å; K369-E373 WeakPolarHBondContact CG-OE1 3.36Å; K369-E373 IonicContact NZ-OE1 2.67Å; K369-E373 PolarHBondContact NZ-OE1 3.22Å; K369-E373 WeakPolarHBondContact O-CB 3.31Å; K369-E373 VanDerWaalsContact O-CG 3.3Å; K369-E373 WeakPolarHBondContact O-CG 3.42Å; K369-E373 PolarHBondContact O-N 2.83Å; E373-R377 VanDerWaalsContact O-CB 3.26Å; E373-R377 WeakPolarHBondContact O-CB 3.35Å; E373-R377 PolarHBondContact O-N 3.1Å |
| 374 | E | 63.4 | Low | 65.5 | Low | 69 Ų | 69 | 68.1 Ų | 68.1 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.7 | -35 | 172.4 | -171.8 | 71 | 162.3 | 0 | 0 | 112.1 | G370 R377 L378 L482 | G370-E374 PolarHBondContact O-N 2.92Å; E374-R377 VanDerWaalsContact CD-NH1 3.34Å; E374-R377 PolarHBondContact O-N 3.32Å; E374-R377 IonicContact OE1-NH1 2.65Å; E374-R377 PolarHBondContact OE1-NH1 3.06Å; E374-R377 VanDerWaalsContact OE1-NH1 3.15Å; E374-R377 WeakPolarHBondContact OE2-CD 3.39Å; E374-R377 IonicContact OE2-CZ 3.78Å; E374-R377 IonicContact OE2-NH1 3.77Å; E374-R377 PolarHBondContact OE2-NH1 3.46Å; E374-L378 HydrophobicContact CG-CD1 4.45Å; E374-L378 WeakPolarHBondContact O-CB 3.47Å; E374-L378 WeakPolarHBondContact O-CG 3.31Å; E374-L378 PolarHBondContact O-N 3.17Å; E374-L482 HydrophobicContact CG-CD2 4.43Å |
| 375 | L | 61.1 | Low | 66 | Low | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 170.5 | -76.7 | 171 | 0 | 0 | 0 | 112 | Y371 N372 L378 R379 Y478 E481 L482 L485 | Y371-L375 WeakPolarHBondContact O-CB 3.23Å; Y371-L375 VanDerWaalsContact O-CG 3.3Å; Y371-L375 WeakPolarHBondContact O-CG 3.38Å; Y371-L375 PolarHBondContact O-N 2.75Å; N372-L375 PolarHBondContact O-N 3.2Å; L375-L378 PolarHBondContact O-N 3.27Å; L375-R379 WeakPolarHBondContact O-CB 3.36Å; L375-R379 VanDerWaalsContact O-CG 3.27Å; L375-R379 WeakPolarHBondContact O-CG 3.06Å; L375-R379 PolarHBondContact O-N 2.75Å; L375-Y478 HydrophobicContact CD1-CD1 3.92Å; L375-Y478 HydrophobicContact CD1-CE1 4.1Å; L375-E481 HydrophobicContact CD2-CG 4.31Å; L375-L482 HydrophobicContact CD2-CD2 3.72Å; L375-L482 HydrophobicContact CD2-CG 3.84Å; L375-L482 HydrophobicContact CG-CD2 4.09Å; L375-L482 HydrophobicContact CG-CG 4.39Å; L375-L485 HydrophobicContact CD2-CD1 3.47Å; L375-L485 VanDerWaalsContact CD2-CD1 3.47Å |
| 376 | E | 72.4 | Confident | 66.5 | Low | 83 Ų | 83 | 66.8 Ų | 66.8 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.1 | -29.8 | 178.8 | -73.3 | -54.2 | 135.4 | 0 | 0 | 112.4 | N372 R379 R380 | N372-E376 WeakPolarHBondContact O-CB 3.32Å; N372-E376 WeakPolarHBondContact O-CG 3.28Å; N372-E376 PolarHBondContact O-N 3.19Å; E376-R379 WeakPolarHBondContact OE1-CD 3.39Å; E376-R379 IonicContact OE1-CZ 3.92Å; E376-R379 IonicContact OE1-NE 3.63Å; E376-R379 IonicContact OE1-NH1 3.84Å; E376-R379 PolarHBondContact OE1-NH1 2.51Å; E376-R380 WeakPolarHBondContact O-CB 3.43Å; E376-R380 VanDerWaalsContact O-CG 3.26Å; E376-R380 WeakPolarHBondContact O-CG 3.44Å; E376-R380 PolarHBondContact O-N 2.79Å |
| 377 | R | 71.5 | Confident | 67.1 | Low | 90 Ų | 90 | 65.8 Ų | 65.8 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 168.9 | -179.7 | 168.5 | 167.1 | -109.7 | -4.4 | 111.5 | E373 E374 R379 R380 D381 N504 | E373-R377 VanDerWaalsContact O-CB 3.26Å; E373-R377 WeakPolarHBondContact O-CB 3.35Å; E373-R377 PolarHBondContact O-N 3.1Å; E374-R377 VanDerWaalsContact CD-NH1 3.34Å; E374-R377 PolarHBondContact O-N 3.32Å; E374-R377 IonicContact OE1-NH1 2.65Å; E374-R377 PolarHBondContact OE1-NH1 3.06Å; E374-R377 VanDerWaalsContact OE1-NH1 3.15Å; E374-R377 WeakPolarHBondContact OE2-CD 3.39Å; E374-R377 IonicContact OE2-CZ 3.78Å; E374-R377 IonicContact OE2-NH1 3.77Å; E374-R377 PolarHBondContact OE2-NH1 3.46Å; R377-R379 PolarHBondContact O-N 3.44Å; R377-R380 PolarHBondContact O-N 3.29Å; R377-D381 PolarHBondContact O-N 3.23Å; R377-N504 PolarHBondContact NE-OD1 3.35Å |
| 378 | L | 65 | Low | 67.8 | Low | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 175 | -74.3 | 165.8 | 0 | 0 | 0 | 112.1 | E374 L375 L382 L482 L485 L489 | E374-L378 HydrophobicContact CG-CD1 4.45Å; E374-L378 WeakPolarHBondContact O-CB 3.47Å; E374-L378 WeakPolarHBondContact O-CG 3.31Å; E374-L378 PolarHBondContact O-N 3.17Å; L375-L378 PolarHBondContact O-N 3.27Å; L378-L382 WeakPolarHBondContact O-CB 3.39Å; L378-L382 PolarHBondContact O-N 3.13Å; L378-L482 HydrophobicContact CD1-CD2 3.62Å; L378-L485 HydrophobicContact CB-CB 4.3Å; L378-L489 HydrophobicContact CD2-CD2 4.01Å |
| 379 | R | 74.2 | Confident | 68 | Low | 101 Ų | 101 | 70.8 Ų | 70.8 | 38% | 0.381 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 173.7 | -75.4 | 167.4 | 174 | -179.2 | -1.3 | 112.1 | L375 E376 R377 L382 E383 E481 L485 | L375-R379 WeakPolarHBondContact O-CB 3.36Å; L375-R379 VanDerWaalsContact O-CG 3.27Å; L375-R379 WeakPolarHBondContact O-CG 3.06Å; L375-R379 PolarHBondContact O-N 2.75Å; E376-R379 WeakPolarHBondContact OE1-CD 3.39Å; E376-R379 IonicContact OE1-CZ 3.92Å; E376-R379 IonicContact OE1-NE 3.63Å; E376-R379 IonicContact OE1-NH1 3.84Å; E376-R379 PolarHBondContact OE1-NH1 2.51Å; R377-R379 PolarHBondContact O-N 3.44Å; R379-L382 PolarHBondContact O-N 3.04Å; R379-E383 WeakPolarHBondContact O-CB 3.22Å; R379-E383 PolarHBondContact O-N 3.27Å; R379-E481 IonicContact NH2-OE1 2.6Å; R379-L485 HydrophobicContact CG-CD1 4.07Å; R379-L485 HydrophobicContact CG-CD2 3.92Å |
| 380 | R | 73.1 | Confident | 67.9 | Low | 106 Ų | 106 | 67.6 Ų | 67.6 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 177.8 | -74.7 | -174.7 | -62.1 | 149.9 | 2.5 | 113 | E376 R377 L382 E383 A384 E503 | E376-R380 WeakPolarHBondContact O-CB 3.43Å; E376-R380 VanDerWaalsContact O-CG 3.26Å; E376-R380 WeakPolarHBondContact O-CG 3.44Å; E376-R380 PolarHBondContact O-N 2.79Å; R377-R380 PolarHBondContact O-N 3.29Å; R380-L382 VanDerWaalsContact C-N 3.34Å; R380-E383 PolarHBondContact O-N 3.05Å; R380-A384 WeakPolarHBondContact O-CB 3.26Å; R380-A384 PolarHBondContact O-N 3.49Å; R380-E503 IonicContact CZ-OE2 2.69Å; R380-E503 IonicContact NH1-OE2 3.81Å; R380-E503 PolarHBondContact NH1-OE2 2.95Å |
| 381 | D | 68.3 | Low | 68.2 | Low | 16 Ų | 16 | 68.2 Ų | 68.2 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 174.4 | -75.2 | -26.8 | 0 | 0 | 0 | 111.9 | R377 A385 L489 N504 | R377-D381 PolarHBondContact O-N 3.23Å; D381-A385 WeakPolarHBondContact O-CB 3.36Å; D381-A385 PolarHBondContact O-N 3.19Å; D381-L489 HydrophobicContact CB-CD1 3.95Å; D381-N504 VanDerWaalsContact CG-ND2 3.26Å; D381-N504 PolarHBondContact OD1-ND2 2.97Å; D381-N504 PolarHBondContact OD2-ND2 3.2Å |
| 382 | L | 69.1 | Low | 68.7 | Low | 12 Ų | 12 | 69.1 Ų | 69.1 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 176.4 | -173.4 | 164.2 | 0 | 0 | 0 | 111.3 | L378 R379 R380 A385 R386 L485 D488 L489 | L378-L382 WeakPolarHBondContact O-CB 3.39Å; L378-L382 PolarHBondContact O-N 3.13Å; R379-L382 PolarHBondContact O-N 3.04Å; R380-L382 VanDerWaalsContact C-N 3.34Å; L382-A385 PolarHBondContact O-N 3.44Å; L382-R386 HydrophobicContact CD2-CG 4.13Å; L382-R386 WeakPolarHBondContact O-CG 3.43Å; L382-R386 PolarHBondContact O-N 3.32Å; L382-L485 HydrophobicContact CD1-CD2 3.77Å; L382-D488 HydrophobicContact CD1-CB 3.66Å; L382-L489 HydrophobicContact CB-CB 4.39Å; L382-L489 HydrophobicContact CB-CD1 4.08Å; L382-L489 HydrophobicContact CD1-CB 4.42Å; L382-L489 HydrophobicContact CG-CB 4.5Å |
| 383 | E | 73.9 | Confident | 68.5 | Low | 95 Ų | 95 | 66.7 Ų | 66.7 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.3 | -35.6 | 177.7 | -163.3 | 61.1 | -163.3 | 0 | 0 | 111.8 | R379 R380 R386 T387 | R379-E383 WeakPolarHBondContact O-CB 3.22Å; R379-E383 PolarHBondContact O-N 3.27Å; R380-E383 PolarHBondContact O-N 3.05Å; E383-R386 PolarHBondContact O-N 2.89Å; E383-T387 HydrophobicContact CG-CG2 4.07Å; E383-T387 WeakPolarHBondContact O-CB 3.24Å; E383-T387 WeakPolarHBondContact O-CG2 3.46Å; E383-T387 PolarHBondContact O-N 2.67Å; E383-T387 PolarHBondContact O-OG1 2.77Å; E383-T387 WeakPolarHBondContact OE1-CG2 3.46Å |
| 384 | A | 69.9 | Low | 68.6 | Low | 7 Ų | 7 | 64.1 Ų | 64.1 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R380 R386 K388 N389 F499 | R380-A384 WeakPolarHBondContact O-CB 3.26Å; R380-A384 PolarHBondContact O-N 3.49Å; A384-R386 VanDerWaalsContact C-N 3.33Å; A384-R386 PolarHBondContact O-N 2.81Å; A384-K388 WeakPolarHBondContact O-CA 3.39Å; A384-K388 PolarHBondContact O-N 3.25Å; A384-N389 WeakPolarHBondContact CB-O 3.29Å; A384-F499 HydrophobicContact CB-CB 4.3Å |
| 385 | A | 66.2 | Low | 68.7 | Low | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D381 L382 A492 N496 | D381-A385 WeakPolarHBondContact O-CB 3.36Å; D381-A385 PolarHBondContact O-N 3.19Å; L382-A385 PolarHBondContact O-N 3.44Å; A385-A492 HydrophobicContact CB-CB 3.74Å; A385-N496 VanDerWaalsContact O-CB 3.3Å; A385-N496 WeakPolarHBondContact O-CB 3.32Å; A385-N496 PolarHBondContact O-ND2 2.75Å |
| 386 | R | 69.7 | Low | 69.2 | Low | 166 Ų | 166 | 71.6 Ų | 71.6 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -73.2 | -52 | 174.9 | -82.5 | -175 | 140.3 | 164.5 | -3 | 113.5 | L382 E383 A384 N496 | L382-R386 HydrophobicContact CD2-CG 4.13Å; L382-R386 WeakPolarHBondContact O-CG 3.43Å; L382-R386 PolarHBondContact O-N 3.32Å; E383-R386 PolarHBondContact O-N 2.89Å; A384-R386 VanDerWaalsContact C-N 3.33Å; A384-R386 PolarHBondContact O-N 2.81Å; R386-N496 PolarHBondContact O-ND2 2.6Å |
| 387 | T | 73.6 | Confident | 69.2 | Low | 61 Ų | 61 | 71.3 Ų | 71.3 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -81.1 | -17.8 | -171.7 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | E383 N389 | E383-T387 HydrophobicContact CG-CG2 4.07Å; E383-T387 WeakPolarHBondContact O-CB 3.24Å; E383-T387 WeakPolarHBondContact O-CG2 3.46Å; E383-T387 PolarHBondContact O-N 2.67Å; E383-T387 PolarHBondContact O-OG1 2.77Å; E383-T387 WeakPolarHBondContact OE1-CG2 3.46Å; T387-N389 PolarHBondContact O-N 2.98Å; T387-N389 WeakPolarHBondContact OG1-CB 3.24Å; T387-N389 PolarHBondContact OG1-N 2.76Å |
| 388 | K | 67.1 | Low | 69.1 | Low | 117 Ų | 117 | 68.5 Ų | 68.5 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | trans | 66 | 17.4 | -170.1 | -52 | -174 | 179.2 | -174 | 0 | 113.7 | A384 F499 | A384-K388 WeakPolarHBondContact O-CA 3.39Å; A384-K388 PolarHBondContact O-N 3.25Å; K388-F499 HydrophobicContact CB-CD1 4.43Å; K388-F499 HydrophobicContact CB-CE1 3.79Å; K388-F499 HydrophobicContact CB-CE2 3.89Å; K388-F499 HydrophobicContact CB-CZ 3.5Å; K388-F499 VanDerWaalsContact CB-CZ 3.5Å; K388-F499 HydrophobicContact CD-CE2 4.32Å; K388-F499 HydrophobicContact CD-CZ 4.21Å; K388-F499 HydrophobicContact CG-CD2 4.47Å; K388-F499 HydrophobicContact CG-CE2 3.75Å; K388-F499 HydrophobicContact CG-CZ 3.8Å; K388-F499 WeakPolarHBondContact O-CD1 3.42Å; K388-F499 WeakPolarHBondContact O-CE1 3.31Å | ||
| 389 | N | 65.5 | Low | 69.2 | Low | 127 Ų | 127 | 73 Ų | 73 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | trans | -93.6 | 96.9 | 173.9 | -66.8 | -30.4 | 0 | 0 | 0 | 109.8 | A384 T387 | A384-N389 WeakPolarHBondContact CB-O 3.29Å; T387-N389 PolarHBondContact O-N 2.98Å; T387-N389 WeakPolarHBondContact OG1-CB 3.24Å; T387-N389 PolarHBondContact OG1-N 2.76Å | ||
| 390 | G | 64.5 | Low | 69.1 | Low | 36 Ų | 36 | 72.6 Ų | 72.6 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 169.9 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F392 | G390-F392 PolarHBondContact O-N 2.84Š|
| 391 | I | 66 | Low | 68.9 | Low | 52 Ų | 52 | 69.5 Ų | 69.5 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 113.3 | 172.6 | -64 | 175.7 | 0 | 0 | 0 | 107.6 | V393 F499 V500 E502 Y505 | I391-V393 HydrophobicContact CG2-CG2 4.39Å; I391-V393 PolarHBondContact O-N 3.37Å; I391-F499 WeakPolarHBondContact O-CA 3.32Å; I391-V500 PolarHBondContact N-O 3.24Å; I391-V500 PolarHBondContact O-N 3.27Å; I391-E502 HydrophobicContact CD1-CB 4.35Å; I391-E502 HydrophobicContact CD1-CG 4.07Å; I391-Y505 HydrophobicContact CD1-CD1 3.55Å; I391-Y505 HydrophobicContact CD1-CD2 4.46Å; I391-Y505 HydrophobicContact CD1-CE1 4.16Å; I391-Y505 HydrophobicContact CD1-CG 3.73Å; I391-Y505 HydrophobicContact CG2-CD2 4.3Å; I391-Y505 HydrophobicContact CG2-CE2 4.32Å |
| 392 | F | 71.2 | Confident | 68.8 | Low | 117 Ų | 117 | 73.5 Ų | 73.5 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 116.9 | 172.4 | 178.5 | -99.3 | 0 | 0 | 0 | 109.7 | G390 N394 F499 | G390-F392 PolarHBondContact O-N 2.84Å; F392-N394 HydrophobicContact CE1-CB 4.05Å; F392-N394 HydrophobicContact CZ-CB 4.48Å; F392-F499 HydrophobicContact CB-CD1 4.14Å; F392-F499 HydrophobicContact CB-CE1 3.8Å; F392-F499 HydrophobicContact CB-CZ 4.24Å; F392-F499 HydrophobicContact CD2-CD2 4.3Å; F392-F499 HydrophobicContact CD2-CE1 4.04Å; F392-F499 AromaticContact CD2-CE2 3.78Å; F392-F499 HydrophobicContact CD2-CE2 3.78Å; F392-F499 AromaticContact CD2-CZ 3.62Å; F392-F499 HydrophobicContact CD2-CZ 3.62Å; F392-F499 HydrophobicContact CE2-CE2 4.38Å; F392-F499 HydrophobicContact CE2-CZ 4.47Å; F392-F499 HydrophobicContact CG-CE1 4.39Å; F392-F499 HydrophobicContact CG-CZ 4.34Å |
| 393 | V | 64.2 | Low | 68.6 | Low | 16 Ų | 16 | 75.5 Ų | 75.5 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.4 | 167.2 | -168.5 | 0 | 0 | 0 | 0 | 106.7 | I391 N397 Y398 I498 V500 Y505 | I391-V393 HydrophobicContact CG2-CG2 4.39Å; I391-V393 PolarHBondContact O-N 3.37Å; V393-N397 HydrophobicContact CG1-CB 3.87Å; V393-Y398 HydrophobicContact CB-CD2 4.44Å; V393-Y398 HydrophobicContact CG1-CD2 4.45Å; V393-I498 PolarHBondContact N-O 3.46Å; V393-V500 HydrophobicContact CG2-CG2 4.1Å; V393-Y505 HydrophobicContact CG2-CE2 4.37Å |
| 394 | N | 70.2 | Confident | 68.3 | Low | 51 Ų | 51 | 73.9 Ų | 73.9 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | trans | -63 | 149.5 | 174.3 | 60.1 | -53.1 | 0 | 0 | 0 | 110.2 | F392 E396 N397 Y398 | F392-N394 HydrophobicContact CE1-CB 4.05Å; F392-N394 HydrophobicContact CZ-CB 4.48Å; N394-E396 PolarHBondContact ND2-OE2 3.04Å; N394-E396 PolarHBondContact O-N 3.49Å; N394-E396 VanDerWaalsContact O-N 3.12Å; N394-N397 PolarHBondContact O-N 3.49Å; N394-N397 VanDerWaalsContact OD1-CB 3.28Å; N394-N397 WeakPolarHBondContact OD1-CB 3.4Å; N394-N397 PolarHBondContact OD1-ND2 3.4Å; N394-Y398 PolarHBondContact O-N 2.99Å | ||
| 395 | E | 67.2 | Low | 68 | Low | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -43.5 | -49.1 | -178.4 | -165 | 64.7 | -136.9 | 0 | 0 | 111.9 | Y398 Q399 | E395-Y398 PolarHBondContact O-N 3.17Å; E395-Q399 VanDerWaalsContact O-CB 3.3Å; E395-Q399 WeakPolarHBondContact O-CB 3.25Å; E395-Q399 VanDerWaalsContact O-CG 3.26Å; E395-Q399 WeakPolarHBondContact O-CG 3.49Å; E395-Q399 PolarHBondContact O-N 2.95Å; E395-Q399 PolarHBondContact OE1-NE2 3.22Å |
| 396 | E | 71.4 | Confident | 67.9 | Low | 147 Ų | 147 | 77.2 Ų | 77.2 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | -179.4 | -56.8 | 167 | 138.8 | 0 | 0 | 113.4 | N394 M400 | N394-E396 PolarHBondContact ND2-OE2 3.04Å; N394-E396 PolarHBondContact O-N 3.49Å; N394-E396 VanDerWaalsContact O-N 3.12Å; E396-M400 WeakPolarHBondContact O-CB 3.38Å; E396-M400 PolarHBondContact O-N 2.84Å |
| 397 | N | 70.9 | Confident | 67.5 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.3 | -32.7 | 178.6 | -79.7 | -36.8 | 0 | 0 | 0 | 111.6 | V393 N394 M400 L401 | V393-N397 HydrophobicContact CG1-CB 3.87Å; N394-N397 PolarHBondContact O-N 3.49Å; N394-N397 VanDerWaalsContact OD1-CB 3.28Å; N394-N397 WeakPolarHBondContact OD1-CB 3.4Å; N394-N397 PolarHBondContact OD1-ND2 3.4Å; N397-M400 VanDerWaalsContact OD1-CE 3.28Å; N397-M400 WeakPolarHBondContact OD1-CE 3.4Å; N397-L401 VanDerWaalsContact O-CB 3.26Å; N397-L401 WeakPolarHBondContact O-CB 3.43Å; N397-L401 PolarHBondContact O-N 3.37Å |
| 398 | Y | 69.7 | Low | 67 | Low | 31 Ų | 31 | 73.3 Ų | 73.3 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.5 | -44 | 176.4 | -172.5 | -98 | 0 | 0 | 0 | 111.5 | V393 N394 E395 M400 L401 Q402 I498 V500 | V393-Y398 HydrophobicContact CB-CD2 4.44Å; V393-Y398 HydrophobicContact CG1-CD2 4.45Å; N394-Y398 PolarHBondContact O-N 2.99Å; E395-Y398 PolarHBondContact O-N 3.17Å; Y398-M400 VanDerWaalsContact C-N 3.33Å; Y398-L401 PolarHBondContact O-N 2.93Å; Y398-Q402 HydrophobicContact CD1-CG 4.26Å; Y398-Q402 HydrophobicContact CE1-CG 3.89Å; Y398-Q402 PolarHBondContact O-N 2.81Å; Y398-Q402 PolarHBondContact OH-NE2 2.89Å; Y398-Q402 VanDerWaalsContact OH-NE2 3.09Å; Y398-I498 HydrophobicContact CD1-CD1 3.32Å; Y398-I498 HydrophobicContact CD1-CG1 4.49Å; Y398-I498 HydrophobicContact CD1-CG2 3.98Å; Y398-I498 HydrophobicContact CD2-CG2 3.69Å; Y398-I498 HydrophobicContact CE1-CD1 3.96Å; Y398-I498 HydrophobicContact CE1-CG2 4.08Å; Y398-I498 HydrophobicContact CE2-CG2 3.84Å; Y398-I498 HydrophobicContact CG-CB 4.32Å; Y398-I498 HydrophobicContact CG-CD1 3.75Å; Y398-I498 HydrophobicContact CG-CG2 3.76Å; Y398-V500 HydrophobicContact CD2-CG2 4.46Å; Y398-V500 HydrophobicContact CE2-CG2 4.2Å |
| 399 | Q | 67.8 | Low | 66.5 | Low | 111 Ų | 111 | 76 Ų | 76 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 171.9 | -71.2 | -176.6 | 16.3 | 0 | 0 | 111.3 | E395 S403 | E395-Q399 VanDerWaalsContact O-CB 3.3Å; E395-Q399 WeakPolarHBondContact O-CB 3.25Å; E395-Q399 VanDerWaalsContact O-CG 3.26Å; E395-Q399 WeakPolarHBondContact O-CG 3.49Å; E395-Q399 PolarHBondContact O-N 2.95Å; E395-Q399 PolarHBondContact OE1-NE2 3.22Å; Q399-S403 WeakPolarHBondContact O-CA 3.26Å; Q399-S403 WeakPolarHBondContact O-CB 3.39Å; Q399-S403 PolarHBondContact O-N 3.44Å |
| 400 | M | 72.4 | Confident | 66.1 | Low | 92 Ų | 92 | 75 Ų | 75 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 172.3 | -178.2 | 174.7 | 62 | 0 | 0 | 111.8 | E396 N397 Y398 S403 Q404 | E396-M400 WeakPolarHBondContact O-CB 3.38Å; E396-M400 PolarHBondContact O-N 2.84Å; N397-M400 VanDerWaalsContact OD1-CE 3.28Å; N397-M400 WeakPolarHBondContact OD1-CE 3.4Å; Y398-M400 VanDerWaalsContact C-N 3.33Å; M400-S403 PolarHBondContact O-N 3.15Å; M400-Q404 HydrophobicContact CG-CG 4.43Å; M400-Q404 WeakPolarHBondContact O-CB 3.45Å; M400-Q404 VanDerWaalsContact O-CG 3.29Å; M400-Q404 WeakPolarHBondContact O-CG 3.37Å; M400-Q404 PolarHBondContact O-N 3.49Å |
| 401 | L | 67.7 | Low | 65.7 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 179.3 | -161.4 | 67.6 | 0 | 0 | 0 | 111.7 | N397 Y398 Q404 L405 L508 L512 | N397-L401 VanDerWaalsContact O-CB 3.26Å; N397-L401 WeakPolarHBondContact O-CB 3.43Å; N397-L401 PolarHBondContact O-N 3.37Å; Y398-L401 PolarHBondContact O-N 2.93Å; L401-Q404 PolarHBondContact O-N 2.96Å; L401-L405 WeakPolarHBondContact O-CG 3.48Å; L401-L405 PolarHBondContact O-N 2.81Å; L401-L508 HydrophobicContact CD2-CD2 3.6Å; L401-L508 HydrophobicContact CD2-CG 4.4Å; L401-L512 HydrophobicContact CD1-CD1 3.65Å; L401-L512 HydrophobicContact CG-CD1 4.29Å |
| 402 | Q | 66.3 | Low | 65.2 | Low | 101 Ų | 101 | 83.9 Ų | 83.9 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 170.4 | -74.5 | -154 | -1.4 | 0 | 0 | 111.9 | Y398 L405 A406 | Y398-Q402 HydrophobicContact CD1-CG 4.26Å; Y398-Q402 HydrophobicContact CE1-CG 3.89Å; Y398-Q402 PolarHBondContact O-N 2.81Å; Y398-Q402 PolarHBondContact OH-NE2 2.89Å; Y398-Q402 VanDerWaalsContact OH-NE2 3.09Å; Q402-L405 PolarHBondContact O-N 3.4Å; Q402-A406 VanDerWaalsContact O-CB 3.29Å; Q402-A406 WeakPolarHBondContact O-CB 3.28Å; Q402-A406 PolarHBondContact O-N 2.91Å |
| 403 | S | 66.1 | Low | 64.2 | Low | 53 Ų | 53 | 83 Ų | 83 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Q399 M400 A406 Q407 | Q399-S403 WeakPolarHBondContact O-CA 3.26Å; Q399-S403 WeakPolarHBondContact O-CB 3.39Å; Q399-S403 PolarHBondContact O-N 3.44Å; M400-S403 PolarHBondContact O-N 3.15Å; S403-A406 PolarHBondContact O-N 2.87Å; S403-Q407 VanDerWaalsContact O-CB 3.28Å; S403-Q407 WeakPolarHBondContact O-CB 3.35Å; S403-Q407 VanDerWaalsContact O-CG 3.26Å; S403-Q407 WeakPolarHBondContact O-CG 3.22Å; S403-Q407 PolarHBondContact O-N 3.45Å |
| 404 | Q | 67.3 | Low | 63.2 | Low | 62 Ų | 62 | 85.5 Ų | 85.5 | 29% | 0.29 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 172.5 | -76.3 | 178.6 | 21.4 | 0 | 0 | 110.9 | M400 L401 A406 Q407 Q408 | M400-Q404 HydrophobicContact CG-CG 4.43Å; M400-Q404 WeakPolarHBondContact O-CB 3.45Å; M400-Q404 VanDerWaalsContact O-CG 3.29Å; M400-Q404 WeakPolarHBondContact O-CG 3.37Å; M400-Q404 PolarHBondContact O-N 3.49Å; L401-Q404 PolarHBondContact O-N 2.96Å; Q404-A406 VanDerWaalsContact C-N 3.33Å; Q404-A406 PolarHBondContact O-N 3.44Å; Q404-Q407 PolarHBondContact O-N 3.45Å; Q404-Q408 VanDerWaalsContact O-CB 3.24Å; Q404-Q408 WeakPolarHBondContact O-CB 3.27Å; Q404-Q408 VanDerWaalsContact O-CG 3.24Å; Q404-Q408 WeakPolarHBondContact O-CG 3.5Å; Q404-Q408 PolarHBondContact O-N 2.95Å |
| 405 | L | 63.5 | Low | 61.8 | Low | 30 Ų | 30 | 88.1 Ų | 88.1 | 16% | 0.157 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 174.7 | -75.7 | 164.8 | 0 | 0 | 0 | 112.6 | L401 Q402 R409 L508 L512 | L401-L405 WeakPolarHBondContact O-CG 3.48Å; L401-L405 PolarHBondContact O-N 2.81Å; Q402-L405 PolarHBondContact O-N 3.4Å; L405-R409 VanDerWaalsContact O-CB 3.31Å; L405-R409 WeakPolarHBondContact O-CB 3.22Å; L405-R409 VanDerWaalsContact O-CG 3.25Å; L405-R409 WeakPolarHBondContact O-CG 3.45Å; L405-R409 PolarHBondContact O-N 3.33Å; L405-L508 HydrophobicContact CD1-CD1 3.88Å; L405-L512 HydrophobicContact CD2-CD2 3.6Å; L405-L512 HydrophobicContact CD2-CG 4.15Å; L405-L512 HydrophobicContact CG-CD2 4.02Å |
| 406 | A | 64 | Low | 60 | Low | 47 Ų | 47 | 88.5 Ų | 88.5 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.3 | -48.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q402 S403 Q404 Q408 R409 I410 | Q402-A406 VanDerWaalsContact O-CB 3.29Å; Q402-A406 WeakPolarHBondContact O-CB 3.28Å; Q402-A406 PolarHBondContact O-N 2.91Å; S403-A406 PolarHBondContact O-N 2.87Å; Q404-A406 VanDerWaalsContact C-N 3.33Å; Q404-A406 PolarHBondContact O-N 3.44Å; A406-Q408 PolarHBondContact O-N 3.43Å; A406-R409 WeakPolarHBondContact O-CB 3.33Å; A406-R409 PolarHBondContact O-N 3.22Å; A406-I410 WeakPolarHBondContact O-CD1 3.47Å; A406-I410 VanDerWaalsContact O-CG1 3.25Å; A406-I410 WeakPolarHBondContact O-CG1 3.41Å; A406-I410 PolarHBondContact O-N 3.06Å |
| 407 | Q | 61.9 | Low | 58.2 | Low | 107 Ų | 107 | 91.1 Ų | 91.1 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177 | -73.2 | -179.6 | 6.8 | 0 | 0 | 112 | S403 Q404 I410 R411 | S403-Q407 VanDerWaalsContact O-CB 3.28Å; S403-Q407 WeakPolarHBondContact O-CB 3.35Å; S403-Q407 VanDerWaalsContact O-CG 3.26Å; S403-Q407 WeakPolarHBondContact O-CG 3.22Å; S403-Q407 PolarHBondContact O-N 3.45Å; Q404-Q407 PolarHBondContact O-N 3.45Å; Q407-I410 PolarHBondContact O-N 3.33Å; Q407-R411 WeakPolarHBondContact O-CG 3.24Å; Q407-R411 PolarHBondContact O-N 3.42Å |
| 408 | Q | 61.1 | Low | 56.4 | Low | 37 Ų | 37 | 97.4 Ų | 97.4 | 17% | 0.173 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 176.3 | -72 | 173.8 | -5.3 | 0 | 0 | 111.5 | Q404 A406 I410 R411 I412 I519 | Q404-Q408 VanDerWaalsContact O-CB 3.24Å; Q404-Q408 WeakPolarHBondContact O-CB 3.27Å; Q404-Q408 VanDerWaalsContact O-CG 3.24Å; Q404-Q408 WeakPolarHBondContact O-CG 3.5Å; Q404-Q408 PolarHBondContact O-N 2.95Å; A406-Q408 PolarHBondContact O-N 3.43Å; Q408-I410 PolarHBondContact O-N 3.5Å; Q408-R411 PolarHBondContact O-N 3.2Å; Q408-I412 VanDerWaalsContact O-CG1 3.29Å; Q408-I412 WeakPolarHBondContact O-CG1 3.4Å; Q408-I412 PolarHBondContact O-N 3.47Å; Q408-I519 HydrophobicContact CB-CD1 4.29Å; Q408-I519 HydrophobicContact CG-CD1 4.16Å |
| 409 | R | 58 | Low | 54.7 | Low | 173 Ų | 173 | 103 Ų | 103 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.2 | -43.3 | 168.3 | -81.4 | 174.6 | 166.3 | -167.3 | -4.3 | 112.6 | L405 A406 I412 C413 | L405-R409 VanDerWaalsContact O-CB 3.31Å; L405-R409 WeakPolarHBondContact O-CB 3.22Å; L405-R409 VanDerWaalsContact O-CG 3.25Å; L405-R409 WeakPolarHBondContact O-CG 3.45Å; L405-R409 PolarHBondContact O-N 3.33Å; A406-R409 WeakPolarHBondContact O-CB 3.33Å; A406-R409 PolarHBondContact O-N 3.22Å; R409-I412 PolarHBondContact O-N 2.91Å; R409-C413 WeakPolarHBondContact O-CB 2.99Å; R409-C413 PolarHBondContact O-N 3.48Å |
| 410 | I | 56.9 | Low | 53.1 | Low | 108 Ų | 108 | 103.3 Ų | 103.3 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 177.9 | -70 | 161.9 | 0 | 0 | 0 | 110.8 | A406 Q407 Q408 I412 C413 G414 | A406-I410 WeakPolarHBondContact O-CD1 3.47Å; A406-I410 VanDerWaalsContact O-CG1 3.25Å; A406-I410 WeakPolarHBondContact O-CG1 3.41Å; A406-I410 PolarHBondContact O-N 3.06Å; Q407-I410 PolarHBondContact O-N 3.33Å; Q408-I410 PolarHBondContact O-N 3.5Å; I410-I412 VanDerWaalsContact C-N 3.34Å; I410-I412 PolarHBondContact O-N 3.03Å; I410-C413 PolarHBondContact O-N 3.07Å; I410-G414 PolarHBondContact O-N 2.92Å; I410-G414 VanDerWaalsContact O-N 3.07Å |
| 411 | R | 56.1 | Low | 51.2 | Low | 192 Ų | 192 | 105.2 Ų | 105.2 | 73% | 0.725 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 174.6 | -73.6 | -176.8 | -175.2 | -161.5 | 1.9 | 112.5 | Q407 Q408 C413 | Q407-R411 WeakPolarHBondContact O-CG 3.24Å; Q407-R411 PolarHBondContact O-N 3.42Å; Q408-R411 PolarHBondContact O-N 3.2Å; R411-C413 VanDerWaalsContact C-N 3.33Å; R411-C413 PolarHBondContact O-N 2.86Å |
| 412 | I | 55 | Low | 49.8 | Very low | 81 Ų | 81 | 111 Ų | 111 | 42% | 0.415 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.5 | -27.3 | 179 | -67.7 | 165.8 | 0 | 0 | 0 | 112.3 | Q408 R409 I410 I519 | Q408-I412 VanDerWaalsContact O-CG1 3.29Å; Q408-I412 WeakPolarHBondContact O-CG1 3.4Å; Q408-I412 PolarHBondContact O-N 3.47Å; R409-I412 PolarHBondContact O-N 2.91Å; I410-I412 VanDerWaalsContact C-N 3.34Å; I410-I412 PolarHBondContact O-N 3.03Å; I412-I519 HydrophobicContact CD1-CD1 4.42Å; I412-I519 HydrophobicContact CD1-CG1 4.11Å; I412-I519 HydrophobicContact CG1-CG1 4.42Å |
| 413 | C | 51.4 | Low | 48.7 | Very low | 99 Ų | 99 | 111.4 Ų | 111.4 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -95.4 | -6.7 | -179.1 | -75.5 | 0 | 0 | 0 | 0 | 115.6 | R409 I410 R411 V415 | R409-C413 WeakPolarHBondContact O-CB 2.99Å; R409-C413 PolarHBondContact O-N 3.48Å; I410-C413 PolarHBondContact O-N 3.07Å; R411-C413 VanDerWaalsContact C-N 3.33Å; R411-C413 PolarHBondContact O-N 2.86Å; C413-V415 PolarHBondContact O-N 2.89Å |
| 414 | G | 41.4 | Very low | 47.5 | Very low | 69 Ų | 69 | 112.6 Ų | 112.6 | 71% | 0.711 | 59% | 0.592 | S | S | * | * | trans | 66.7 | -6.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | I410 | I410-G414 PolarHBondContact O-N 2.92Å; I410-G414 VanDerWaalsContact O-N 3.07Å | ||
| 415 | V | 41.1 | Very low | 46.3 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | trans | -132 | 125 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | C413 Y417 | C413-V415 PolarHBondContact O-N 2.89Å; V415-Y417 HydrophobicContact CG1-CD2 3.86Å; V415-Y417 HydrophobicContact CG1-CE2 4.14Å | ||
| 416 | S | 30.7 | Very low | 45.1 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | trans | -87.1 | 120.2 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 417 | Y | 32.2 | Very low | 44.1 | Very low | 203 Ų | 203 | 123.8 Ų | 123.8 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | trans | -126.8 | 124.5 | 163.8 | -102.4 | -87.5 | 0 | 0 | 0 | 109.2 | V415 T419 | V415-Y417 HydrophobicContact CG1-CD2 3.86Å; V415-Y417 HydrophobicContact CG1-CE2 4.14Å; Y417-T419 PolarHBondContact O-N 3.35Å | ||
| 418 | Y | 34.6 | Very low | 43.3 | Very low | 208 Ų | 208 | 123.7 Ų | 123.7 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | trans | -68.8 | 119.6 | 175.6 | -74.3 | -92 | 0 | 0 | 0 | 109.9 | V420 | Y418-V420 VanDerWaalsContact C-N 3.29Å; Y418-V420 PolarHBondContact O-N 2.95Å | ||
| 419 | T | 33 | Very low | 42.7 | Very low | 148 Ų | 148 | 132 Ų | 132 | 91% | 0.908 | 70% | 0.701 | S | S | * | * | trans | -79.4 | 71.8 | -175.5 | -36.7 | 0 | 0 | 0 | 0 | 111.8 | Y417 | Y417-T419 PolarHBondContact O-N 3.35Š| ||
| 420 | V | 33.6 | Very low | 42.3 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | trans | -128.6 | 63.2 | -177.4 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | Y418 | Y418-V420 VanDerWaalsContact C-N 3.29Å; Y418-V420 PolarHBondContact O-N 2.95Å | ||
| 421 | H | 33.5 | Very low | 42.1 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 62% | 0.616 | 70% | 0.704 | S | S | * | * | trans | -180 | 117.9 | 147.4 | -115.8 | -95 | 0 | 0 | 0 | 109.8 | Y452 | H421-Y452 PolarHBondContact NE2-OH 2.88Š| ||
| 422 | D | 39 | Very low | 42.2 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | trans | -176.3 | -2.1 | 154.9 | -111.8 | -10.9 | 0 | 0 | 0 | 113.8 | L424 | D422-L424 PolarHBondContact O-N 2.9Š| ||
| 423 | S | 43.1 | Very low | 42.8 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -78.8 | 6 | 176.3 | 47.9 | 0 | 0 | 0 | 0 | 115 | ||
| 424 | L | 40.2 | Very low | 43.4 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 41% | 0.414 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -124.9 | 83.6 | -175 | -74.4 | 166.3 | 0 | 0 | 0 | 110.8 | D422 T430 I432 Y452 | D422-L424 PolarHBondContact O-N 2.9Å; L424-T430 HydrophobicContact CD2-CG2 4.45Å; L424-I432 HydrophobicContact CD2-CD1 4.07Å; L424-Y452 VanDerWaalsContact CD1-OH 3.29Å; L424-Y452 WeakPolarHBondContact CD1-OH 3.5Å |
| 425 | G | 42.2 | Very low | 45 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 163.1 | -13.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 426 | G | 38.9 | Very low | 46.7 | Very low | 48 Ų | 48 | 126.5 Ų | 126.5 | 50% | 0.495 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -99.4 | 91.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | T428 | G426-T428 PolarHBondContact O-N 2.85Å; G426-T428 PolarHBondContact O-OG1 2.78Å |
| 427 | R | 43.1 | Very low | 48.7 | Very low | 249 Ų | 249 | 124.4 Ų | 124.4 | 94% | 0.94 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 49.7 | 20.5 | 146.8 | -57.4 | -179.7 | -179.8 | 141.8 | 1.4 | 119 | ||
| 428 | T | 43.6 | Very low | 50.7 | Low | 105 Ų | 105 | 121.4 Ų | 121.4 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -137.3 | 160.1 | -173 | 49.8 | 0 | 0 | 0 | 0 | 111.9 | G426 T430 | G426-T428 PolarHBondContact O-N 2.85Å; G426-T428 PolarHBondContact O-OG1 2.78Å; T428-T430 PolarHBondContact O-N 2.82Å |
| 429 | K | 48.6 | Very low | 52.4 | Low | 212 Ų | 212 | 113.4 Ų | 113.4 | 92% | 0.922 | 66% | 0.662 | S | S | * | * | trans | -80 | 79.4 | 177.6 | -73 | -172.5 | 176.7 | -177 | 0 | 111 | ||||
| 430 | T | 49.3 | Very low | 54.3 | Low | 82 Ų | 82 | 113.6 Ų | 113.6 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -73.4 | 134.1 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | L424 T428 I432 | L424-T430 HydrophobicContact CD2-CG2 4.45Å; T428-T430 PolarHBondContact O-N 2.82Å; T430-I432 HydrophobicContact CG2-CG1 4.36Å | ||
| 431 | S | 52.9 | Low | 56.2 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | trans | -114.8 | 123.6 | 168.9 | -59.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 432 | I | 59.3 | Low | 58 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 47% | 0.472 | 64% | 0.636 | S | S | . | * | trans | -99.4 | 124.9 | 179.8 | -59 | 174.5 | 0 | 0 | 0 | 108.5 | L424 T430 A456 | L424-I432 HydrophobicContact CD2-CD1 4.07Å; T430-I432 HydrophobicContact CG2-CG1 4.36Å; I432-A456 HydrophobicContact CD1-CB 3.83Å | ||
| 433 | I | 66.4 | Low | 59.8 | Low | 150 Ų | 150 | 105.5 Ų | 105.5 | 77% | 0.769 | 62% | 0.617 | S | S | * | * | trans | -110.1 | 110.4 | 172.8 | -59.5 | 176.2 | 0 | 0 | 0 | 107.4 | ||||
| 434 | A | 65.3 | Low | 61.5 | Low | 51 Ų | 51 | 107.9 Ų | 107.9 | 42% | 0.421 | 62% | 0.617 | S | S | . | * | trans | -81.4 | 134.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T449 | A434-T449 HydrophobicContact CB-CG2 3.98Š| ||
| 435 | T | 74.1 | Confident | 63.3 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 76% | 0.761 | 63% | 0.625 | S | S | * | * | trans | -106.7 | 141 | 165.5 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 436 | I | 76.9 | Confident | 65.3 | Low | 99 Ų | 99 | 107.8 Ų | 107.8 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | trans | -133 | 143.5 | -176.7 | 55.6 | 173 | 0 | 0 | 0 | 109.8 | T446 T449 | I436-T446 HydrophobicContact CB-CG2 4.06Å; I436-T446 HydrophobicContact CG2-CG2 4.04Å; I436-T449 HydrophobicContact CG2-CG2 4.15Å | ||
| 437 | S | 73 | Confident | 67.4 | Low | 52 Ų | 52 | 110.5 Ų | 110.5 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | trans | -86 | 133.4 | 175.4 | -179 | 0 | 0 | 0 | 0 | 109.9 | A439 | S437-A439 PolarHBondContact O-N 2.95Å; S437-A439 WeakPolarHBondContact OG-CB 3.33Å; S437-A439 PolarHBondContact OG-N 2.95Å | ||
| 438 | P | 74.3 | Confident | 69.2 | Low | 140 Ų | 140 | 102 Ų | 102 | 91% | 0.909 | 58% | 0.577 | S | S | * | * | trans | -76.3 | 0.5 | 173 | 32.7 | -35.5 | 0 | 0 | 0 | 113.2 | ||||
| 439 | A | 70.5 | Confident | 71.1 | Confident | 40 Ų | 40 | 99.6 Ų | 99.6 | 33% | 0.331 | 56% | 0.562 | S | S | . | * | trans | -79.7 | 129.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S437 T441 S442 | S437-A439 PolarHBondContact O-N 2.95Å; S437-A439 WeakPolarHBondContact OG-CB 3.33Å; S437-A439 PolarHBondContact OG-N 2.95Å; A439-T441 PolarHBondContact O-N 3.48Å; A439-T441 VanDerWaalsContact O-N 3.07Å; A439-S442 PolarHBondContact O-N 3.39Å | ||
| 440 | M | 72.8 | Confident | 72.7 | Confident | 151 Ų | 151 | 94.2 Ų | 94.2 | 74% | 0.744 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -55.3 | -25.4 | 175.5 | -87.6 | -115.1 | 59.9 | 0 | 0 | 114.2 | S442 L443 | M440-S442 PolarHBondContact O-N 2.99Å; M440-L443 HydrophobicContact CE-CB 4.5Å; M440-L443 HydrophobicContact CE-CD2 3.94Å; M440-L443 PolarHBondContact O-N 3.01Å |
| 441 | T | 74.1 | Confident | 74.2 | Confident | 134 Ų | 134 | 93.9 Ų | 93.9 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -65.6 | -22.6 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | A439 | A439-T441 PolarHBondContact O-N 3.48Å; A439-T441 VanDerWaalsContact O-N 3.07Å |
| 442 | S | 70.5 | Confident | 75.5 | Confident | 19 Ų | 19 | 93.3 Ų | 93.3 | 13% | 0.133 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -105.4 | 22.6 | -177.6 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | A439 M440 E444 E445 T446 | A439-S442 PolarHBondContact O-N 3.39Å; M440-S442 PolarHBondContact O-N 2.99Å; S442-E444 PolarHBondContact O-N 2.99Å; S442-E445 WeakPolarHBondContact CA-OE2 3.16Å; S442-E445 WeakPolarHBondContact CB-OE2 3.28Å; S442-E445 PolarHBondContact O-N 3.36Å; S442-E445 PolarHBondContact OG-OE2 2.8Å; S442-T446 VanDerWaalsContact O-CB 3.22Å; S442-T446 WeakPolarHBondContact O-CB 3.11Å; S442-T446 PolarHBondContact O-N 2.84Å; S442-T446 PolarHBondContact O-OG1 3.03Å |
| 443 | L | 76.1 | Confident | 76.5 | Confident | 91 Ų | 91 | 90.6 Ų | 90.6 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | -175 | -178 | 63.9 | 0 | 0 | 0 | 112.6 | M440 T446 L447 | M440-L443 HydrophobicContact CE-CB 4.5Å; M440-L443 HydrophobicContact CE-CD2 3.94Å; M440-L443 PolarHBondContact O-N 3.01Å; L443-T446 PolarHBondContact O-N 3.19Å; L443-L447 HydrophobicContact CD1-CD1 4.35Å; L443-L447 HydrophobicContact CD1-CG 4.44Å; L443-L447 HydrophobicContact CG-CD1 4.1Å; L443-L447 WeakPolarHBondContact O-CB 3.46Å; L443-L447 VanDerWaalsContact O-CG 3.3Å; L443-L447 WeakPolarHBondContact O-CG 3.15Å; L443-L447 PolarHBondContact O-N 3.3Å |
| 444 | E | 78.6 | Confident | 77.1 | Confident | 159 Ų | 159 | 88.4 Ų | 88.4 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.8 | -38.2 | -178.1 | -168.8 | 166.2 | -149 | 0 | 0 | 112.3 | S442 T446 S448 | S442-E444 PolarHBondContact O-N 2.99Å; E444-T446 VanDerWaalsContact C-N 3.35Å; E444-S448 WeakPolarHBondContact O-CB 2.88Å; E444-S448 PolarHBondContact O-N 3.24Å; E444-S448 PolarHBondContact O-OG 3.3Å |
| 445 | E | 78.4 | Confident | 77.7 | Confident | 126 Ų | 126 | 93.2 Ų | 93.2 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 170.3 | -55.3 | 178.1 | 122.4 | 0 | 0 | 111.2 | S442 S448 T449 | S442-E445 WeakPolarHBondContact CA-OE2 3.16Å; S442-E445 WeakPolarHBondContact CB-OE2 3.28Å; S442-E445 PolarHBondContact O-N 3.36Å; S442-E445 PolarHBondContact OG-OE2 2.8Å; E445-S448 PolarHBondContact O-N 2.9Å; E445-T449 WeakPolarHBondContact O-CB 3.28Å; E445-T449 PolarHBondContact O-N 3.34Å; E445-T449 PolarHBondContact O-OG1 3.11Å |
| 446 | T | 84.2 | Confident | 77.4 | Confident | 28 Ų | 28 | 88.4 Ų | 88.4 | 17% | 0.172 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.5 | -44.1 | -179.6 | -62 | 0 | 0 | 0 | 0 | 111.2 | I436 S442 L443 E444 T449 L450 | I436-T446 HydrophobicContact CB-CG2 4.06Å; I436-T446 HydrophobicContact CG2-CG2 4.04Å; S442-T446 VanDerWaalsContact O-CB 3.22Å; S442-T446 WeakPolarHBondContact O-CB 3.11Å; S442-T446 PolarHBondContact O-N 2.84Å; S442-T446 PolarHBondContact O-OG1 3.03Å; L443-T446 PolarHBondContact O-N 3.19Å; E444-T446 VanDerWaalsContact C-N 3.35Å; T446-T449 PolarHBondContact O-N 2.64Å; T446-L450 WeakPolarHBondContact O-CB 3.44Å; T446-L450 PolarHBondContact O-N 3.22Å |
| 447 | L | 82.6 | Confident | 77.2 | Confident | 104 Ų | 104 | 91.5 Ų | 91.5 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.7 | -75.3 | 168.5 | 0 | 0 | 0 | 111.4 | L443 T449 L450 D451 | L443-L447 HydrophobicContact CD1-CD1 4.35Å; L443-L447 HydrophobicContact CD1-CG 4.44Å; L443-L447 HydrophobicContact CG-CD1 4.1Å; L443-L447 WeakPolarHBondContact O-CB 3.46Å; L443-L447 VanDerWaalsContact O-CG 3.3Å; L443-L447 WeakPolarHBondContact O-CG 3.15Å; L443-L447 PolarHBondContact O-N 3.3Å; L447-T449 VanDerWaalsContact C-N 3.31Å; L447-T449 PolarHBondContact O-N 3.27Å; L447-L450 PolarHBondContact O-N 3.31Å; L447-D451 WeakPolarHBondContact O-CB 3.49Å; L447-D451 PolarHBondContact O-N 3.32Å |
| 448 | S | 81.9 | Confident | 76.9 | Confident | 72 Ų | 72 | 94.1 Ų | 94.1 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | E444 E445 D451 Y452 | E444-S448 WeakPolarHBondContact O-CB 2.88Å; E444-S448 PolarHBondContact O-N 3.24Å; E444-S448 PolarHBondContact O-OG 3.3Å; E445-S448 PolarHBondContact O-N 2.9Å; S448-D451 PolarHBondContact O-N 3.44Å; S448-Y452 WeakPolarHBondContact O-CB 3.2Å; S448-Y452 PolarHBondContact O-N 3.13Å |
| 449 | T | 83.9 | Confident | 76.2 | Confident | 54 Ų | 54 | 93 Ų | 93 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | A434 I436 E445 T446 L447 A453 | A434-T449 HydrophobicContact CB-CG2 3.98Å; I436-T449 HydrophobicContact CG2-CG2 4.15Å; E445-T449 WeakPolarHBondContact O-CB 3.28Å; E445-T449 PolarHBondContact O-N 3.34Å; E445-T449 PolarHBondContact O-OG1 3.11Å; T446-T449 PolarHBondContact O-N 2.64Å; L447-T449 VanDerWaalsContact C-N 3.31Å; L447-T449 PolarHBondContact O-N 3.27Å; T449-A453 WeakPolarHBondContact O-CB 3.41Å; T449-A453 PolarHBondContact O-N 3.17Å |
| 450 | L | 81.7 | Confident | 75.4 | Confident | 99 Ų | 99 | 99 Ų | 99 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.6 | -132.9 | 79.1 | 0 | 0 | 0 | 111.7 | T446 L447 A453 H454 | T446-L450 WeakPolarHBondContact O-CB 3.44Å; T446-L450 PolarHBondContact O-N 3.22Å; L447-L450 PolarHBondContact O-N 3.31Å; L450-A453 PolarHBondContact O-N 3.11Å; L450-H454 WeakPolarHBondContact O-CB 3.3Å; L450-H454 PolarHBondContact O-N 2.71Å |
| 451 | D | 81.7 | Confident | 74.1 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.6 | -31.7 | -177.2 | -171.3 | 67.9 | 0 | 0 | 0 | 112.6 | L447 S448 H454 R455 | L447-D451 WeakPolarHBondContact O-CB 3.49Å; L447-D451 PolarHBondContact O-N 3.32Å; S448-D451 PolarHBondContact O-N 3.44Å; D451-H454 PolarHBondContact O-N 3.26Å; D451-R455 WeakPolarHBondContact O-CB 3.42Å; D451-R455 WeakPolarHBondContact O-CG 3.17Å; D451-R455 PolarHBondContact O-N 3.34Å; D451-R455 PolarHBondContact O-NE 3.17Å; D451-R455 IonicContact OD2-CZ 2.64Å; D451-R455 IonicContact OD2-NE 2.64Å; D451-R455 PolarHBondContact OD2-NE 3.15Å; D451-R455 IonicContact OD2-NH2 3.83Å; D451-R455 PolarHBondContact OD2-NH2 3.04Å |
| 452 | Y | 78.8 | Confident | 72.9 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 166.4 | -170.5 | -85.4 | 0 | 0 | 0 | 111.3 | H421 L424 S448 H454 R455 A456 | H421-Y452 PolarHBondContact NE2-OH 2.88Å; L424-Y452 VanDerWaalsContact CD1-OH 3.29Å; L424-Y452 WeakPolarHBondContact CD1-OH 3.5Å; S448-Y452 WeakPolarHBondContact O-CB 3.2Å; S448-Y452 PolarHBondContact O-N 3.13Å; Y452-H454 VanDerWaalsContact C-N 3.31Å; Y452-H454 PolarHBondContact O-N 3.07Å; Y452-R455 PolarHBondContact O-N 3.13Å; Y452-A456 WeakPolarHBondContact O-CB 3.42Å; Y452-A456 PolarHBondContact O-N 2.89Å |
| 453 | A | 79.8 | Confident | 71.7 | Confident | 36 Ų | 36 | 106.5 Ų | 106.5 | 30% | 0.298 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T449 L450 A456 K457 | T449-A453 WeakPolarHBondContact O-CB 3.41Å; T449-A453 PolarHBondContact O-N 3.17Å; L450-A453 PolarHBondContact O-N 3.11Å; A453-A456 PolarHBondContact O-N 3.41Å; A453-K457 WeakPolarHBondContact O-CB 3.21Å; A453-K457 PolarHBondContact O-N 3.19Å |
| 454 | H | 79.3 | Confident | 70.2 | Confident | 104 Ų | 104 | 110.1 Ų | 110.1 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 175.7 | -170.5 | -107.4 | 0 | 0 | 0 | 112.5 | L450 D451 Y452 K457 | L450-H454 WeakPolarHBondContact O-CB 3.3Å; L450-H454 PolarHBondContact O-N 2.71Å; D451-H454 PolarHBondContact O-N 3.26Å; Y452-H454 VanDerWaalsContact C-N 3.31Å; Y452-H454 PolarHBondContact O-N 3.07Å; H454-K457 WeakPolarHBondContact O-CB 3.37Å |
| 455 | R | 77.7 | Confident | 68.4 | Low | 152 Ų | 152 | 110.8 Ų | 110.8 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.9 | -45.6 | 172.6 | -77.3 | 179.9 | -89.6 | 164.8 | -5.6 | 112 | D451 Y452 K457 N458 | D451-R455 WeakPolarHBondContact O-CB 3.42Å; D451-R455 WeakPolarHBondContact O-CG 3.17Å; D451-R455 PolarHBondContact O-N 3.34Å; D451-R455 PolarHBondContact O-NE 3.17Å; D451-R455 IonicContact OD2-CZ 2.64Å; D451-R455 IonicContact OD2-NE 2.64Å; D451-R455 PolarHBondContact OD2-NE 3.15Å; D451-R455 IonicContact OD2-NH2 3.83Å; D451-R455 PolarHBondContact OD2-NH2 3.04Å; Y452-R455 PolarHBondContact O-N 3.13Å; R455-K457 VanDerWaalsContact C-N 3.29Å; R455-K457 PolarHBondContact O-N 2.85Å; R455-N458 PolarHBondContact O-N 3.3Å |
| 456 | A | 67.9 | Low | 66.2 | Low | 23 Ų | 23 | 112.2 Ų | 112.2 | 19% | 0.19 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -63.3 | -31.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I432 Y452 A453 N458 I459 | I432-A456 HydrophobicContact CD1-CB 3.83Å; Y452-A456 WeakPolarHBondContact O-CB 3.42Å; Y452-A456 PolarHBondContact O-N 2.89Å; A453-A456 PolarHBondContact O-N 3.41Å; A456-N458 PolarHBondContact O-N 3.14Å; A456-I459 PolarHBondContact O-N 3.01Å |
| 457 | K | 73.5 | Confident | 64 | Low | 163 Ų | 163 | 115.2 Ų | 115.2 | 71% | 0.709 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -58.7 | -28.4 | 175.7 | -176.7 | -173 | 172.2 | -167.8 | 0 | 113.6 | A453 H454 R455 | A453-K457 WeakPolarHBondContact O-CB 3.21Å; A453-K457 PolarHBondContact O-N 3.19Å; H454-K457 WeakPolarHBondContact O-CB 3.37Å; R455-K457 VanDerWaalsContact C-N 3.29Å; R455-K457 PolarHBondContact O-N 2.85Å |
| 458 | N | 67 | Low | 62.1 | Low | 108 Ų | 108 | 122 Ų | 122 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 13.3 | -172.1 | -63.9 | -16.8 | 0 | 0 | 0 | 113.7 | R455 A456 E460 | R455-N458 PolarHBondContact O-N 3.3Å; A456-N458 PolarHBondContact O-N 3.14Å; N458-E460 PolarHBondContact O-N 3.16Å |
| 459 | I | 58.7 | Low | 59.8 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 59% | 0.59 | 62% | 0.623 | S | S | * | * | trans | -87.5 | 99.1 | 178.9 | -57.6 | 176.2 | 0 | 0 | 0 | 110 | A456 | A456-I459 PolarHBondContact O-N 3.01Š| ||
| 460 | E | 53.9 | Low | 57.9 | Low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | trans | -67.4 | 130.1 | 174.8 | -69 | -165.2 | 166.4 | 0 | 0 | 112.3 | N458 | N458-E460 PolarHBondContact O-N 3.16Š| ||
| 461 | N | 45.8 | Very low | 56.3 | Low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | trans | -104.7 | 120.2 | 170.9 | -81.6 | -91.3 | 0 | 0 | 0 | 110.2 | P463 | N461-P463 WeakPolarHBondContact O-CD 3.33Š| ||
| 462 | R | 48.7 | Very low | 55.1 | Low | 213 Ų | 213 | 134.9 Ų | 134.9 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -100.7 | 112.6 | 172.9 | -71.4 | -172.6 | 177.6 | -165.3 | 0.2 | 111.4 | ||||
| 463 | P | 46.5 | Very low | 53.8 | Low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | trans | -88.2 | 117.8 | 170.6 | 32.5 | -30.4 | 0 | 0 | 0 | 111.1 | N461 | N461-P463 WeakPolarHBondContact O-CD 3.33Š| ||
| 464 | E | 43.1 | Very low | 52.6 | Low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 68% | 0.684 | S | S | * | * | trans | -93.1 | 143.5 | 174.2 | -66.6 | -174.1 | 150.6 | 0 | 0 | 112 | ||||
| 465 | I | 40.6 | Very low | 51.7 | Low | 173 Ų | 173 | 136.7 Ų | 136.7 | 89% | 0.887 | 68% | 0.682 | S | S | * | * | trans | -101.2 | 105 | -177.4 | -59.6 | 174.7 | 0 | 0 | 0 | 109 | ||||
| 466 | N | 33.5 | Very low | 50.9 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 68% | 0.678 | S | S | * | * | trans | -86.6 | 141.7 | 177.6 | -78.5 | -41.3 | 0 | 0 | 0 | 112.4 | ||||
| 467 | A | 38.2 | Very low | 50.9 | Low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | trans | -129 | 142.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 468 | R | 41.6 | Very low | 50.6 | Low | 246 Ų | 246 | 130.7 Ų | 130.7 | 93% | 0.928 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 78.7 | 127 | -173.8 | -58.4 | -177 | 166.9 | 173.1 | -4.1 | 114.7 | ||
| 469 | L | 34.4 | Very low | 50.6 | Low | 149 Ų | 149 | 129.3 Ų | 129.3 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | trans | -80.8 | 153.6 | -165 | -58.2 | 81.2 | 0 | 0 | 0 | 112.2 | ||||
| 470 | N | 43.4 | Very low | 51.2 | Low | 133 Ų | 133 | 128.8 Ų | 128.8 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | trans | -157.1 | 175.9 | 171.6 | -109.9 | -49.1 | 0 | 0 | 0 | 112.9 | T472 D473 | N470-T472 PolarHBondContact O-N 3.29Å; N470-T472 PolarHBondContact O-OG1 3.32Å; N470-D473 PolarHBondContact O-N 3.39Å | ||
| 471 | K | 48.7 | Very low | 52.1 | Low | 188 Ų | 188 | 123.7 Ų | 123.7 | 82% | 0.817 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.9 | -23.3 | -172.4 | -92.4 | 177.3 | 174.8 | 171.9 | 0 | 117.5 | D473 | K471-D473 VanDerWaalsContact C-N 3.28Å; K471-D473 PolarHBondContact O-N 3.41Å |
| 472 | T | 55 | Low | 53.1 | Low | 99 Ų | 99 | 118.3 Ų | 118.3 | 61% | 0.607 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -56.7 | -39 | 178.9 | 41 | 0 | 0 | 0 | 0 | 113.1 | N470 L474 V475 K476 | N470-T472 PolarHBondContact O-N 3.29Å; N470-T472 PolarHBondContact O-OG1 3.32Å; T472-L474 VanDerWaalsContact C-N 3.33Å; T472-L474 PolarHBondContact O-N 3.14Å; T472-V475 PolarHBondContact O-N 3.14Å; T472-K476 VanDerWaalsContact O-CB 3.29Å; T472-K476 WeakPolarHBondContact O-CB 3.22Å; T472-K476 PolarHBondContact O-N 2.87Å |
| 473 | D | 51.8 | Low | 54.1 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 44% | 0.439 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.4 | -30.4 | -167.9 | -57.5 | -29.6 | 0 | 0 | 0 | 112.6 | N470 K471 K476 G477 | N470-D473 PolarHBondContact O-N 3.39Å; K471-D473 VanDerWaalsContact C-N 3.28Å; K471-D473 PolarHBondContact O-N 3.41Å; D473-K476 PolarHBondContact O-N 3.18Å; D473-G477 PolarHBondContact O-N 3.47Å |
| 474 | L | 55.7 | Low | 55.6 | Low | 123 Ų | 123 | 112.4 Ų | 112.4 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.6 | -45.7 | 176 | -146.2 | 90.4 | 0 | 0 | 0 | 111.3 | T472 K476 G477 Y478 | T472-L474 VanDerWaalsContact C-N 3.33Å; T472-L474 PolarHBondContact O-N 3.14Å; L474-K476 VanDerWaalsContact C-N 3.27Å; L474-K476 PolarHBondContact O-N 2.93Å; L474-G477 PolarHBondContact O-N 3.45Å; L474-Y478 HydrophobicContact CD2-CE2 4.22Å; L474-Y478 HydrophobicContact CG-CE2 4.37Å; L474-Y478 VanDerWaalsContact O-CD2 3.24Å; L474-Y478 WeakPolarHBondContact O-CD2 3.46Å; L474-Y478 PolarHBondContact O-N 2.83Å; L474-Y478 VanDerWaalsContact O-N 3.09Å |
| 475 | V | 60.5 | Low | 57.2 | Low | 73 Ų | 73 | 105 Ų | 105 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -33.9 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | T472 N479 | T472-V475 PolarHBondContact O-N 3.14Å; V475-N479 WeakPolarHBondContact O-CB 3.42Å; V475-N479 PolarHBondContact O-N 3.35Å; V475-N479 PolarHBondContact O-ND2 3.23Å; V475-N479 VanDerWaalsContact O-ND2 3.12Å |
| 476 | K | 60.6 | Low | 58.7 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.5 | -165.4 | 171.5 | -179.7 | -77.1 | 0 | 111.3 | T472 D473 L474 Y478 N479 E480 | T472-K476 VanDerWaalsContact O-CB 3.29Å; T472-K476 WeakPolarHBondContact O-CB 3.22Å; T472-K476 PolarHBondContact O-N 2.87Å; D473-K476 PolarHBondContact O-N 3.18Å; L474-K476 VanDerWaalsContact C-N 3.27Å; L474-K476 PolarHBondContact O-N 2.93Å; K476-Y478 PolarHBondContact O-N 3.05Å; K476-N479 PolarHBondContact O-N 3.42Å; K476-E480 WeakPolarHBondContact CE-OE1 3.46Å; K476-E480 WeakPolarHBondContact CG-OE1 3.38Å; K476-E480 IonicContact NZ-OE1 2.72Å; K476-E480 PolarHBondContact NZ-OE1 3.18Å; K476-E480 WeakPolarHBondContact O-CB 3.43Å; K476-E480 VanDerWaalsContact O-CG 3.3Å; K476-E480 WeakPolarHBondContact O-CG 3.35Å; K476-E480 PolarHBondContact O-N 3.22Å |
| 477 | G | 68.4 | Low | 60.6 | Low | 35 Ų | 35 | 102.3 Ų | 102.3 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D473 L474 E480 E481 | D473-G477 PolarHBondContact O-N 3.47Å; L474-G477 PolarHBondContact O-N 3.45Å; G477-E480 PolarHBondContact O-N 3.3Å; G477-E481 PolarHBondContact O-N 3.29Å |
| 478 | Y | 65.8 | Low | 62.3 | Low | 66 Ų | 66 | 101.5 Ų | 101.5 | 26% | 0.259 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.8 | -81.9 | -65.9 | 0 | 0 | 0 | 112.6 | V368 L375 L474 K476 L482 | V368-Y478 WeakPolarHBondContact CG1-OH 3.29Å; L375-Y478 HydrophobicContact CD1-CD1 3.92Å; L375-Y478 HydrophobicContact CD1-CE1 4.1Å; L474-Y478 HydrophobicContact CD2-CE2 4.22Å; L474-Y478 HydrophobicContact CG-CE2 4.37Å; L474-Y478 VanDerWaalsContact O-CD2 3.24Å; L474-Y478 WeakPolarHBondContact O-CD2 3.46Å; L474-Y478 PolarHBondContact O-N 2.83Å; L474-Y478 VanDerWaalsContact O-N 3.09Å; K476-Y478 PolarHBondContact O-N 3.05Å; Y478-L482 WeakPolarHBondContact O-CB 3.22Å; Y478-L482 VanDerWaalsContact O-CG 3.31Å; Y478-L482 WeakPolarHBondContact O-CG 3.22Å; Y478-L482 PolarHBondContact O-N 3.11Å |
| 479 | N | 67.4 | Low | 63.7 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 43% | 0.428 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 173.9 | -81.1 | -46.1 | 0 | 0 | 0 | 113 | V475 K476 L482 E483 | V475-N479 WeakPolarHBondContact O-CB 3.42Å; V475-N479 PolarHBondContact O-N 3.35Å; V475-N479 PolarHBondContact O-ND2 3.23Å; V475-N479 VanDerWaalsContact O-ND2 3.12Å; K476-N479 PolarHBondContact O-N 3.42Å; N479-L482 PolarHBondContact O-N 2.96Å; N479-E483 WeakPolarHBondContact O-CB 3.13Å; N479-E483 WeakPolarHBondContact O-CG 3.49Å; N479-E483 PolarHBondContact O-N 3.06Å |
| 480 | E | 70.9 | Confident | 65.4 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 49% | 0.486 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 179 | -76.5 | 171.1 | -175.3 | 0 | 0 | 111.8 | K476 G477 R484 | K476-E480 WeakPolarHBondContact CE-OE1 3.46Å; K476-E480 WeakPolarHBondContact CG-OE1 3.38Å; K476-E480 IonicContact NZ-OE1 2.72Å; K476-E480 PolarHBondContact NZ-OE1 3.18Å; K476-E480 WeakPolarHBondContact O-CB 3.43Å; K476-E480 VanDerWaalsContact O-CG 3.3Å; K476-E480 WeakPolarHBondContact O-CG 3.35Å; K476-E480 PolarHBondContact O-N 3.22Å; G477-E480 PolarHBondContact O-N 3.3Å; E480-R484 VanDerWaalsContact O-CB 3.3Å; E480-R484 WeakPolarHBondContact O-CB 3.37Å; E480-R484 PolarHBondContact O-N 3.41Å |
| 481 | E | 73.3 | Confident | 66.7 | Low | 59 Ų | 59 | 85.6 Ų | 85.6 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.6 | -35.3 | 173.3 | -170.6 | 77.9 | 161 | 0 | 0 | 112.2 | L375 R379 G477 R484 L485 | L375-E481 HydrophobicContact CD2-CG 4.31Å; R379-E481 IonicContact NH2-OE1 2.6Å; G477-E481 PolarHBondContact O-N 3.29Å; E481-R484 WeakPolarHBondContact O-CB 3.23Å; E481-R484 PolarHBondContact O-N 3.01Å; E481-R484 IonicContact OE1-NH1 2.9Å; E481-R484 WeakPolarHBondContact OE2-CD 3.38Å; E481-R484 IonicContact OE2-CZ 3.82Å; E481-R484 IonicContact OE2-NE 3.67Å; E481-R484 IonicContact OE2-NH1 3.82Å; E481-R484 PolarHBondContact OE2-NH1 2.98Å; E481-L485 HydrophobicContact CG-CD1 4.37Å; E481-L485 WeakPolarHBondContact O-CG 3.48Å; E481-L485 PolarHBondContact O-N 3.02Å |
| 482 | L | 66 | Low | 67.7 | Low | 14 Ų | 14 | 77.2 Ų | 77.2 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 170.1 | -81.5 | 166.3 | 0 | 0 | 0 | 111.6 | Y371 E374 L375 L378 Y478 N479 R484 L485 R486 | Y371-L482 HydrophobicContact CD1-CD1 4.39Å; E374-L482 HydrophobicContact CG-CD2 4.43Å; L375-L482 HydrophobicContact CD2-CD2 3.72Å; L375-L482 HydrophobicContact CD2-CG 3.84Å; L375-L482 HydrophobicContact CG-CD2 4.09Å; L375-L482 HydrophobicContact CG-CG 4.39Å; L378-L482 HydrophobicContact CD1-CD2 3.62Å; Y478-L482 WeakPolarHBondContact O-CB 3.22Å; Y478-L482 VanDerWaalsContact O-CG 3.31Å; Y478-L482 WeakPolarHBondContact O-CG 3.22Å; Y478-L482 PolarHBondContact O-N 3.11Å; N479-L482 PolarHBondContact O-N 2.96Å; L482-R484 VanDerWaalsContact C-N 3.26Å; L482-R484 PolarHBondContact O-N 3.46Å; L482-L485 PolarHBondContact O-N 2.68Å; L482-R486 WeakPolarHBondContact O-CG 3.47Å; L482-R486 PolarHBondContact O-N 2.83Å |
| 483 | E | 71.3 | Confident | 68.4 | Low | 84 Ų | 84 | 74.7 Ų | 74.7 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -22.4 | 177.4 | -75.8 | -55.3 | 136.3 | 0 | 0 | 113.1 | N479 R486 R487 | N479-E483 WeakPolarHBondContact O-CB 3.13Å; N479-E483 WeakPolarHBondContact O-CG 3.49Å; N479-E483 PolarHBondContact O-N 3.06Å; E483-R486 WeakPolarHBondContact OE1-CD 3.46Å; E483-R486 IonicContact OE1-CZ 2.64Å; E483-R486 IonicContact OE1-NE 2.86Å; E483-R486 IonicContact OE1-NH1 3.15Å; E483-R486 PolarHBondContact OE1-NH1 2.9Å; E483-R487 PolarHBondContact O-N 2.84Å; E483-R487 PolarHBondContact O-NE 2.99Å; E483-R487 PolarHBondContact O-NH2 3.15Å |
| 484 | R | 77.6 | Confident | 69.1 | Low | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.475 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.4 | -51.6 | 169 | -178.6 | -166.5 | 179.9 | -178.6 | 3.2 | 111.2 | E480 E481 L482 R486 R487 D488 | E480-R484 VanDerWaalsContact O-CB 3.3Å; E480-R484 WeakPolarHBondContact O-CB 3.37Å; E480-R484 PolarHBondContact O-N 3.41Å; E481-R484 WeakPolarHBondContact O-CB 3.23Å; E481-R484 PolarHBondContact O-N 3.01Å; E481-R484 IonicContact OE1-NH1 2.9Å; E481-R484 WeakPolarHBondContact OE2-CD 3.38Å; E481-R484 IonicContact OE2-CZ 3.82Å; E481-R484 IonicContact OE2-NE 3.67Å; E481-R484 IonicContact OE2-NH1 3.82Å; E481-R484 PolarHBondContact OE2-NH1 2.98Å; L482-R484 VanDerWaalsContact C-N 3.26Å; L482-R484 PolarHBondContact O-N 3.46Å; R484-R486 VanDerWaalsContact C-N 3.25Å; R484-R486 PolarHBondContact O-N 3.09Å; R484-R487 PolarHBondContact O-N 3.05Å; R484-R487 VanDerWaalsContact O-N 3.09Å; R484-D488 IonicContact NE-OD2 4Å; R484-D488 PolarHBondContact O-N 3.03Å |
| 485 | L | 75.3 | Confident | 69.7 | Low | 14 Ų | 14 | 78.8 Ų | 78.8 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 179.4 | -73.5 | 166.4 | 0 | 0 | 0 | 112.2 | L375 L378 R379 L382 E481 L482 L489 | L375-L485 HydrophobicContact CD2-CD1 3.47Å; L375-L485 VanDerWaalsContact CD2-CD1 3.47Å; L378-L485 HydrophobicContact CB-CB 4.3Å; R379-L485 HydrophobicContact CG-CD1 4.07Å; R379-L485 HydrophobicContact CG-CD2 3.92Å; L382-L485 HydrophobicContact CD1-CD2 3.77Å; E481-L485 HydrophobicContact CG-CD1 4.37Å; E481-L485 WeakPolarHBondContact O-CG 3.48Å; E481-L485 PolarHBondContact O-N 3.02Å; L482-L485 PolarHBondContact O-N 2.68Å; L485-L489 WeakPolarHBondContact O-CB 3.37Å; L485-L489 PolarHBondContact O-N 2.86Å |
| 486 | R | 72.1 | Confident | 70 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -51.5 | 170.2 | -75.7 | 170.3 | 175.2 | -175.8 | -3.5 | 112.1 | L482 E483 R484 L489 E490 | L482-R486 WeakPolarHBondContact O-CG 3.47Å; L482-R486 PolarHBondContact O-N 2.83Å; E483-R486 WeakPolarHBondContact OE1-CD 3.46Å; E483-R486 IonicContact OE1-CZ 2.64Å; E483-R486 IonicContact OE1-NE 2.86Å; E483-R486 IonicContact OE1-NH1 3.15Å; E483-R486 PolarHBondContact OE1-NH1 2.9Å; R484-R486 VanDerWaalsContact C-N 3.25Å; R484-R486 PolarHBondContact O-N 3.09Å; R486-L489 PolarHBondContact O-N 2.81Å; R486-E490 WeakPolarHBondContact O-CB 3.37Å; R486-E490 PolarHBondContact O-N 2.86Å |
| 487 | R | 73.7 | Confident | 70.2 | Confident | 153 Ų | 153 | 72.9 Ų | 72.9 | 58% | 0.577 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.7 | -40.8 | 177.8 | -76.6 | 173.8 | -73 | 154.1 | 0.3 | 112.9 | E483 R484 E490 A491 | E483-R487 PolarHBondContact O-N 2.84Å; E483-R487 PolarHBondContact O-NE 2.99Å; E483-R487 PolarHBondContact O-NH2 3.15Å; R484-R487 PolarHBondContact O-N 3.05Å; R484-R487 VanDerWaalsContact O-N 3.09Å; R487-E490 PolarHBondContact O-N 2.7Å; R487-A491 WeakPolarHBondContact O-CB 3.36Å; R487-A491 PolarHBondContact O-N 2.64Å |
| 488 | D | 75.3 | Confident | 70.2 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | 178.5 | -71.8 | -18.7 | 0 | 0 | 0 | 111.7 | L382 R484 A492 | L382-D488 HydrophobicContact CD1-CB 3.66Å; R484-D488 IonicContact NE-OD2 4Å; R484-D488 PolarHBondContact O-N 3.03Å; D488-A492 WeakPolarHBondContact O-CB 3.48Å; D488-A492 PolarHBondContact O-N 3.11Å |
| 489 | L | 70.5 | Confident | 70.4 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 171.1 | 174.7 | 69.5 | 0 | 0 | 0 | 111.8 | L378 D381 L382 L485 R486 A492 R493 | L378-L489 HydrophobicContact CD2-CD2 4.01Å; D381-L489 HydrophobicContact CB-CD1 3.95Å; L382-L489 HydrophobicContact CB-CB 4.39Å; L382-L489 HydrophobicContact CB-CD1 4.08Å; L382-L489 HydrophobicContact CD1-CB 4.42Å; L382-L489 HydrophobicContact CG-CB 4.5Å; L485-L489 WeakPolarHBondContact O-CB 3.37Å; L485-L489 PolarHBondContact O-N 2.86Å; R486-L489 PolarHBondContact O-N 2.81Å; L489-A492 WeakPolarHBondContact O-CB 3.38Å; L489-A492 PolarHBondContact O-N 3.2Å; L489-R493 WeakPolarHBondContact O-CG 3.31Å; L489-R493 PolarHBondContact O-N 2.8Å |
| 490 | E | 69 | Low | 70.3 | Confident | 127 Ų | 127 | 66 Ų | 66 | 59% | 0.593 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -70.4 | -37.9 | 180 | -162.9 | 143.6 | -122.6 | 0 | 0 | 111.9 | R486 R487 A492 R493 T494 | R486-E490 WeakPolarHBondContact O-CB 3.37Å; R486-E490 PolarHBondContact O-N 2.86Å; R487-E490 PolarHBondContact O-N 2.7Å; E490-A492 VanDerWaalsContact C-N 3.33Å; E490-R493 PolarHBondContact O-N 2.98Å; E490-T494 WeakPolarHBondContact O-CG2 3.44Å; E490-T494 PolarHBondContact O-N 2.82Å; E490-T494 PolarHBondContact O-OG1 3.42Å |
| 491 | A | 71.8 | Confident | 70.4 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -32 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R487 T494 K495 | R487-A491 WeakPolarHBondContact O-CB 3.36Å; R487-A491 PolarHBondContact O-N 2.64Å; A491-T494 WeakPolarHBondContact CA-OG1 3.26Å; A491-T494 PolarHBondContact O-OG1 2.95Å; A491-K495 WeakPolarHBondContact O-CB 3.47Å; A491-K495 PolarHBondContact O-N 2.81Å |
| 492 | A | 69.7 | Low | 70.4 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.5 | -45.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A385 D488 L489 E490 K495 N496 | A385-A492 HydrophobicContact CB-CB 3.74Å; D488-A492 WeakPolarHBondContact O-CB 3.48Å; D488-A492 PolarHBondContact O-N 3.11Å; L489-A492 WeakPolarHBondContact O-CB 3.38Å; L489-A492 PolarHBondContact O-N 3.2Å; E490-A492 VanDerWaalsContact C-N 3.33Å; A492-K495 PolarHBondContact O-N 3.26Å; A492-N496 WeakPolarHBondContact O-CB 3.49Å; A492-N496 PolarHBondContact O-N 3.08Å |
| 493 | R | 68.6 | Low | 70.7 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -51.3 | 177 | -75.8 | 175.8 | 178.9 | 169.5 | 0.1 | 112.1 | L489 E490 K495 N496 G497 I498 | L489-R493 WeakPolarHBondContact O-CG 3.31Å; L489-R493 PolarHBondContact O-N 2.8Å; E490-R493 PolarHBondContact O-N 2.98Å; R493-K495 PolarHBondContact O-N 3.06Å; R493-N496 PolarHBondContact O-N 3.22Å; R493-G497 WeakPolarHBondContact O-CA 3.47Å; R493-G497 PolarHBondContact O-N 3.22Å; R493-I498 HydrophobicContact CB-CG1 4.23Å; R493-I498 HydrophobicContact CG-CG1 4.2Å; R493-I498 HydrophobicContact CG-CG2 4.43Å |
| 494 | T | 67.8 | Low | 70.4 | Confident | 116 Ų | 116 | 67 Ų | 67 | 71% | 0.712 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.6 | -22.7 | 178.7 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | E490 A491 | E490-T494 WeakPolarHBondContact O-CG2 3.44Å; E490-T494 PolarHBondContact O-N 2.82Å; E490-T494 PolarHBondContact O-OG1 3.42Å; A491-T494 WeakPolarHBondContact CA-OG1 3.26Å; A491-T494 PolarHBondContact O-OG1 2.95Å |
| 495 | K | 67.5 | Low | 70.1 | Confident | 175 Ų | 175 | 64.3 Ų | 64.3 | 76% | 0.761 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -93.2 | -37.8 | 178 | -174.2 | 175.1 | 179.2 | 177.7 | 0 | 114.3 | A491 A492 R493 | A491-K495 WeakPolarHBondContact O-CB 3.47Å; A491-K495 PolarHBondContact O-N 2.81Å; A492-K495 PolarHBondContact O-N 3.26Å; R493-K495 PolarHBondContact O-N 3.06Å |
| 496 | N | 67.1 | Low | 70.1 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -114.3 | -11.1 | -169 | -75 | -12.7 | 0 | 0 | 0 | 114.4 | A385 R386 A492 R493 F499 | A385-N496 VanDerWaalsContact O-CB 3.3Å; A385-N496 WeakPolarHBondContact O-CB 3.32Å; A385-N496 PolarHBondContact O-ND2 2.75Å; R386-N496 PolarHBondContact O-ND2 2.6Å; A492-N496 WeakPolarHBondContact O-CB 3.49Å; A492-N496 PolarHBondContact O-N 3.08Å; R493-N496 PolarHBondContact O-N 3.22Å; N496-F499 WeakPolarHBondContact O-CE2 3.32Å |
| 497 | G | 66 | Low | 70.1 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | trans | 85.1 | 174.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R493 F499 | R493-G497 WeakPolarHBondContact O-CA 3.47Å; R493-G497 PolarHBondContact O-N 3.22Å; G497-F499 PolarHBondContact O-N 3.1Å | ||
| 498 | I | 68.4 | Low | 69.8 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 90.1 | -164.8 | -49.5 | -174.8 | 0 | 0 | 0 | 111 | V393 Y398 R493 V500 | V393-I498 PolarHBondContact N-O 3.46Å; Y398-I498 HydrophobicContact CD1-CD1 3.32Å; Y398-I498 HydrophobicContact CD1-CG1 4.49Å; Y398-I498 HydrophobicContact CD1-CG2 3.98Å; Y398-I498 HydrophobicContact CD2-CG2 3.69Å; Y398-I498 HydrophobicContact CE1-CD1 3.96Å; Y398-I498 HydrophobicContact CE1-CG2 4.08Å; Y398-I498 HydrophobicContact CE2-CG2 3.84Å; Y398-I498 HydrophobicContact CG-CB 4.32Å; Y398-I498 HydrophobicContact CG-CD1 3.75Å; Y398-I498 HydrophobicContact CG-CG2 3.76Å; R493-I498 HydrophobicContact CB-CG1 4.23Å; R493-I498 HydrophobicContact CG-CG1 4.2Å; R493-I498 HydrophobicContact CG-CG2 4.43Å; I498-V500 HydrophobicContact CG2-CG2 4.37Å |
| 499 | F | 69.6 | Low | 69.7 | Low | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.4 | 168.1 | -66.9 | -93.5 | 0 | 0 | 0 | 110.3 | A384 K388 I391 F392 N496 G497 | A384-F499 HydrophobicContact CB-CB 4.3Å; K388-F499 HydrophobicContact CB-CD1 4.43Å; K388-F499 HydrophobicContact CB-CE1 3.79Å; K388-F499 HydrophobicContact CB-CE2 3.89Å; K388-F499 HydrophobicContact CB-CZ 3.5Å; K388-F499 VanDerWaalsContact CB-CZ 3.5Å; K388-F499 HydrophobicContact CD-CE2 4.32Å; K388-F499 HydrophobicContact CD-CZ 4.21Å; K388-F499 HydrophobicContact CG-CD2 4.47Å; K388-F499 HydrophobicContact CG-CE2 3.75Å; K388-F499 HydrophobicContact CG-CZ 3.8Å; K388-F499 WeakPolarHBondContact O-CD1 3.42Å; K388-F499 WeakPolarHBondContact O-CE1 3.31Å; I391-F499 WeakPolarHBondContact O-CA 3.32Å; F392-F499 HydrophobicContact CB-CD1 4.14Å; F392-F499 HydrophobicContact CB-CE1 3.8Å; F392-F499 HydrophobicContact CB-CZ 4.24Å; F392-F499 HydrophobicContact CD2-CD2 4.3Å; F392-F499 HydrophobicContact CD2-CE1 4.04Å; F392-F499 AromaticContact CD2-CE2 3.78Å; F392-F499 HydrophobicContact CD2-CE2 3.78Å; F392-F499 AromaticContact CD2-CZ 3.62Å; F392-F499 HydrophobicContact CD2-CZ 3.62Å; F392-F499 HydrophobicContact CE2-CE2 4.38Å; F392-F499 HydrophobicContact CE2-CZ 4.47Å; F392-F499 HydrophobicContact CG-CE1 4.39Å; F392-F499 HydrophobicContact CG-CZ 4.34Å; N496-F499 WeakPolarHBondContact O-CE2 3.32Å; G497-F499 PolarHBondContact O-N 3.1Å |
| 500 | V | 65.6 | Low | 69.8 | Low | 13 Ų | 13 | 66.5 Ų | 66.5 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.5 | 175.6 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | I391 V393 Y398 I498 N504 | I391-V500 PolarHBondContact N-O 3.24Å; I391-V500 PolarHBondContact O-N 3.27Å; V393-V500 HydrophobicContact CG2-CG2 4.1Å; Y398-V500 HydrophobicContact CD2-CG2 4.46Å; Y398-V500 HydrophobicContact CE2-CG2 4.2Å; I498-V500 HydrophobicContact CG2-CG2 4.37Å; V500-N504 HydrophobicContact CG1-CB 3.97Å |
| 501 | N | 71.3 | Confident | 69.9 | Low | 26 Ų | 26 | 64.4 Ų | 64.4 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | trans | -58.3 | 142.8 | 170.7 | 150 | -52.5 | 0 | 0 | 0 | 110 | E503 N504 Y505 | N501-E503 PolarHBondContact ND2-OE2 2.89Å; N501-E503 PolarHBondContact O-N 2.87Å; N501-E503 WeakPolarHBondContact OD1-CA 3.26Å; N501-E503 VanDerWaalsContact OD1-CB 3.27Å; N501-E503 WeakPolarHBondContact OD1-CB 3.24Å; N501-E503 PolarHBondContact OD1-N 2.87Å; N501-N504 HydrophobicContact CB-CB 4.22Å; N501-N504 WeakPolarHBondContact O-CB 3.09Å; N501-N504 PolarHBondContact O-N 3.03Å; N501-N504 PolarHBondContact OD1-N 3.39Å; N501-Y505 PolarHBondContact O-N 2.82Å | ||
| 502 | E | 73.6 | Confident | 69.7 | Low | 119 Ų | 119 | 62.6 Ų | 62.6 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.7 | -36.4 | -172.5 | -176.2 | 165.6 | -176.5 | 0 | 0 | 113.5 | I391 Y505 Q506 | I391-E502 HydrophobicContact CD1-CB 4.35Å; I391-E502 HydrophobicContact CD1-CG 4.07Å; E502-Y505 PolarHBondContact O-N 3.36Å; E502-Q506 WeakPolarHBondContact O-CG 3.38Å; E502-Q506 PolarHBondContact O-N 2.92Å |
| 503 | E | 72.2 | Confident | 70 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 172.7 | -45.9 | 168.8 | 127.4 | 0 | 0 | 110.9 | R380 N501 Y505 Q506 M507 | R380-E503 IonicContact CZ-OE2 2.69Å; R380-E503 IonicContact NH1-OE2 3.81Å; R380-E503 PolarHBondContact NH1-OE2 2.95Å; N501-E503 PolarHBondContact ND2-OE2 2.89Å; N501-E503 PolarHBondContact O-N 2.87Å; N501-E503 WeakPolarHBondContact OD1-CA 3.26Å; N501-E503 VanDerWaalsContact OD1-CB 3.27Å; N501-E503 WeakPolarHBondContact OD1-CB 3.24Å; N501-E503 PolarHBondContact OD1-N 2.87Å; E503-Y505 VanDerWaalsContact C-N 3.32Å; E503-Y505 PolarHBondContact O-N 2.82Å; E503-Q506 PolarHBondContact O-N 3.4Å; E503-M507 VanDerWaalsContact O-CB 3.29Å; E503-M507 WeakPolarHBondContact O-CB 3.27Å; E503-M507 PolarHBondContact O-N 2.93Å |
| 504 | N | 66.5 | Low | 70.1 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176.1 | -97.1 | -21.8 | 0 | 0 | 0 | 110.9 | R377 D381 V500 N501 M507 L508 | R377-N504 PolarHBondContact NE-OD1 3.35Å; D381-N504 VanDerWaalsContact CG-ND2 3.26Å; D381-N504 PolarHBondContact OD1-ND2 2.97Å; D381-N504 PolarHBondContact OD2-ND2 3.2Å; V500-N504 HydrophobicContact CG1-CB 3.97Å; N501-N504 HydrophobicContact CB-CB 4.22Å; N501-N504 WeakPolarHBondContact O-CB 3.09Å; N501-N504 PolarHBondContact O-N 3.03Å; N501-N504 PolarHBondContact OD1-N 3.39Å; N504-M507 WeakPolarHBondContact OD1-CE 3.4Å; N504-L508 VanDerWaalsContact O-CB 3.27Å; N504-L508 WeakPolarHBondContact O-CB 3.34Å; N504-L508 PolarHBondContact O-N 2.82Å |
| 505 | Y | 71.2 | Confident | 70 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.9 | -46 | 176.2 | -175.5 | -96.6 | 0 | 0 | 0 | 112.1 | I391 V393 N501 E502 E503 L508 Q509 | I391-Y505 HydrophobicContact CD1-CD1 3.55Å; I391-Y505 HydrophobicContact CD1-CD2 4.46Å; I391-Y505 HydrophobicContact CD1-CE1 4.16Å; I391-Y505 HydrophobicContact CD1-CG 3.73Å; I391-Y505 HydrophobicContact CG2-CD2 4.3Å; I391-Y505 HydrophobicContact CG2-CE2 4.32Å; V393-Y505 HydrophobicContact CG2-CE2 4.37Å; N501-Y505 PolarHBondContact O-N 2.82Å; E502-Y505 PolarHBondContact O-N 3.36Å; E503-Y505 VanDerWaalsContact C-N 3.32Å; E503-Y505 PolarHBondContact O-N 2.82Å; Y505-L508 PolarHBondContact O-N 3.04Å; Y505-Q509 HydrophobicContact CE1-CG 4.27Å; Y505-Q509 VanDerWaalsContact CE1-NE2 3.32Å; Y505-Q509 PolarHBondContact O-N 3.47Å; Y505-Q509 PolarHBondContact OH-NE2 3.02Å |
| 506 | Q | 75.4 | Confident | 70.3 | Confident | 119 Ų | 119 | 64.2 Ų | 64.2 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 175.1 | -69.1 | 179.3 | 20.5 | 0 | 0 | 111.6 | E502 E503 L508 Q509 S510 | E502-Q506 WeakPolarHBondContact O-CG 3.38Å; E502-Q506 PolarHBondContact O-N 2.92Å; E503-Q506 PolarHBondContact O-N 3.4Å; Q506-L508 VanDerWaalsContact C-N 3.34Å; Q506-L508 PolarHBondContact O-N 3.42Å; Q506-Q509 PolarHBondContact O-N 2.96Å; Q506-S510 WeakPolarHBondContact O-CB 3.43Å; Q506-S510 PolarHBondContact O-N 2.72Å |
| 507 | M | 71.8 | Confident | 70.7 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.4 | -176.2 | 175.5 | 63.3 | 0 | 0 | 111.8 | E503 N504 S510 Q511 | E503-M507 VanDerWaalsContact O-CB 3.29Å; E503-M507 WeakPolarHBondContact O-CB 3.27Å; E503-M507 PolarHBondContact O-N 2.93Å; N504-M507 WeakPolarHBondContact OD1-CE 3.4Å; M507-S510 PolarHBondContact O-N 2.86Å; M507-Q511 WeakPolarHBondContact O-CG 3.43Å; M507-Q511 PolarHBondContact O-N 3.44Å |
| 508 | L | 67.3 | Low | 70.9 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 178 | -167.6 | 64.6 | 0 | 0 | 0 | 111.9 | L401 L405 N504 Y505 Q506 Q511 L512 | L401-L508 HydrophobicContact CD2-CD2 3.6Å; L401-L508 HydrophobicContact CD2-CG 4.4Å; L405-L508 HydrophobicContact CD1-CD1 3.88Å; N504-L508 VanDerWaalsContact O-CB 3.27Å; N504-L508 WeakPolarHBondContact O-CB 3.34Å; N504-L508 PolarHBondContact O-N 2.82Å; Y505-L508 PolarHBondContact O-N 3.04Å; Q506-L508 VanDerWaalsContact C-N 3.34Å; Q506-L508 PolarHBondContact O-N 3.42Å; L508-Q511 PolarHBondContact O-N 3.09Å; L508-L512 WeakPolarHBondContact O-CG 3.38Å; L508-L512 PolarHBondContact O-N 2.98Å; L508-L512 VanDerWaalsContact O-N 3.07Å |
| 509 | Q | 73.3 | Confident | 70.9 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 172.2 | -70.6 | -151.6 | 5.7 | 0 | 0 | 112.5 | Y505 Q506 Q511 L512 A513 | Y505-Q509 HydrophobicContact CE1-CG 4.27Å; Y505-Q509 VanDerWaalsContact CE1-NE2 3.32Å; Y505-Q509 PolarHBondContact O-N 3.47Å; Y505-Q509 PolarHBondContact OH-NE2 3.02Å; Q506-Q509 PolarHBondContact O-N 2.96Å; Q509-Q511 PolarHBondContact O-N 2.92Å; Q509-L512 PolarHBondContact O-N 3.03Å; Q509-A513 PolarHBondContact O-N 3.25Å |
| 510 | S | 73.3 | Confident | 71.1 | Confident | 65 Ų | 65 | 77 Ų | 77 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | Q506 M507 A513 Q514 | Q506-S510 WeakPolarHBondContact O-CB 3.43Å; Q506-S510 PolarHBondContact O-N 2.72Å; M507-S510 PolarHBondContact O-N 2.86Å; S510-A513 PolarHBondContact O-N 2.84Å; S510-Q514 PolarHBondContact O-N 3.36Å |
| 511 | Q | 69.4 | Low | 71.5 | Confident | 83 Ų | 83 | 80.9 Ų | 80.9 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.3 | -72.5 | -178.6 | 8.1 | 0 | 0 | 112.4 | M507 L508 Q509 Q514 Q515 | M507-Q511 WeakPolarHBondContact O-CG 3.43Å; M507-Q511 PolarHBondContact O-N 3.44Å; L508-Q511 PolarHBondContact O-N 3.09Å; Q509-Q511 PolarHBondContact O-N 2.92Å; Q511-Q514 PolarHBondContact O-N 3.33Å; Q511-Q515 WeakPolarHBondContact O-CB 3.31Å; Q511-Q515 VanDerWaalsContact O-CG 3.32Å; Q511-Q515 WeakPolarHBondContact O-CG 3.44Å; Q511-Q515 PolarHBondContact O-N 3.5Å |
| 512 | L | 67.9 | Low | 71.6 | Confident | 18 Ų | 18 | 83.5 Ų | 83.5 | 9% | 0.094 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 174.3 | -78.9 | 162.1 | 0 | 0 | 0 | 112.5 | L401 L405 L508 Q509 R516 | L401-L512 HydrophobicContact CD1-CD1 3.65Å; L401-L512 HydrophobicContact CG-CD1 4.29Å; L405-L512 HydrophobicContact CD2-CD2 3.6Å; L405-L512 HydrophobicContact CD2-CG 4.15Å; L405-L512 HydrophobicContact CG-CD2 4.02Å; L508-L512 WeakPolarHBondContact O-CG 3.38Å; L508-L512 PolarHBondContact O-N 2.98Å; L508-L512 VanDerWaalsContact O-N 3.07Å; Q509-L512 PolarHBondContact O-N 3.03Å; L512-R516 VanDerWaalsContact O-CG 3.27Å; L512-R516 WeakPolarHBondContact O-CG 3.27Å; L512-R516 PolarHBondContact O-N 3.12Å |
| 513 | A | 75.6 | Confident | 71.7 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q509 S510 Q515 R516 I517 | Q509-A513 PolarHBondContact O-N 3.25Å; S510-A513 PolarHBondContact O-N 2.84Å; A513-Q515 PolarHBondContact O-N 3.07Å; A513-R516 PolarHBondContact O-N 3.14Å; A513-I517 PolarHBondContact O-N 2.93Å |
| 514 | Q | 72.1 | Confident | 71.9 | Confident | 133 Ų | 133 | 83.1 Ų | 83.1 | 62% | 0.621 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 176.5 | -71.4 | -175.1 | -6.7 | 0 | 0 | 112.5 | S510 Q511 I517 R518 | S510-Q514 PolarHBondContact O-N 3.36Å; Q511-Q514 PolarHBondContact O-N 3.33Å; Q514-I517 PolarHBondContact O-N 3.23Å; Q514-R518 WeakPolarHBondContact O-CB 3.42Å; Q514-R518 PolarHBondContact O-N 3.39Å; Q514-R518 VanDerWaalsContact O-N 3.1Å |
| 515 | Q | 64.4 | Low | 72.4 | Confident | 51 Ų | 51 | 89.8 Ų | 89.8 | 24% | 0.238 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69.9 | -30.5 | 178.7 | -72.7 | 175.5 | 25.6 | 0 | 0 | 112.8 | Q511 A513 R518 I519 | Q511-Q515 WeakPolarHBondContact O-CB 3.31Å; Q511-Q515 VanDerWaalsContact O-CG 3.32Å; Q511-Q515 WeakPolarHBondContact O-CG 3.44Å; Q511-Q515 PolarHBondContact O-N 3.5Å; A513-Q515 PolarHBondContact O-N 3.07Å; Q515-R518 PolarHBondContact O-N 3.44Å; Q515-I519 VanDerWaalsContact O-CG1 3.31Å; Q515-I519 WeakPolarHBondContact O-CG1 3.42Å; Q515-I519 PolarHBondContact O-N 2.89Å |
| 516 | R | 74.9 | Confident | 72.4 | Confident | 144 Ų | 144 | 92.9 Ų | 92.9 | 54% | 0.543 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 172.1 | -77.8 | 167.5 | 178.7 | -108.5 | 1.5 | 112.3 | L512 A513 R518 I519 C520 | L512-R516 VanDerWaalsContact O-CG 3.27Å; L512-R516 WeakPolarHBondContact O-CG 3.27Å; L512-R516 PolarHBondContact O-N 3.12Å; A513-R516 PolarHBondContact O-N 3.14Å; R516-R518 VanDerWaalsContact C-N 3.26Å; R516-R518 PolarHBondContact O-N 3.05Å; R516-I519 PolarHBondContact O-N 3.19Å; R516-I519 VanDerWaalsContact O-N 3.1Å; R516-C520 PolarHBondContact O-N 3.38Å |
| 517 | I | 75.8 | Confident | 72.6 | Confident | 107 Ų | 107 | 94.1 Ų | 94.1 | 55% | 0.549 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 175 | -62.7 | 167.9 | 0 | 0 | 0 | 109.9 | A513 Q514 I519 C520 E521 | A513-I517 PolarHBondContact O-N 2.93Å; Q514-I517 PolarHBondContact O-N 3.23Å; I517-I519 PolarHBondContact O-N 3.44Å; I517-C520 PolarHBondContact O-N 3.49Å; I517-E521 PolarHBondContact O-N 3.43Å; I517-E521 VanDerWaalsContact O-N 3.08Å |
| 518 | R | 69.6 | Low | 73 | Confident | 147 Ų | 147 | 94.6 Ų | 94.6 | 56% | 0.555 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.4 | -25.7 | 178 | -169.1 | 54.1 | 154.5 | -142.8 | -5.9 | 114.3 | Q514 Q515 R516 E521 L522 | Q514-R518 WeakPolarHBondContact O-CB 3.42Å; Q514-R518 PolarHBondContact O-N 3.39Å; Q514-R518 VanDerWaalsContact O-N 3.1Å; Q515-R518 PolarHBondContact O-N 3.44Å; R516-R518 VanDerWaalsContact C-N 3.26Å; R516-R518 PolarHBondContact O-N 3.05Å; R518-E521 WeakPolarHBondContact CD-OE2 3.19Å; R518-E521 IonicContact CZ-OE2 3.55Å; R518-E521 IonicContact NE-OE2 2.72Å; R518-E521 IonicContact NH1-OE2 3.48Å; R518-E521 PolarHBondContact NH1-OE2 3.23Å; R518-L522 WeakPolarHBondContact O-CD1 3.29Å; R518-L522 VanDerWaalsContact O-CG 3.27Å; R518-L522 WeakPolarHBondContact O-CG 3.39Å; R518-L522 PolarHBondContact O-N 2.99Å |
| 519 | I | 67.6 | Low | 73.3 | Confident | 31 Ų | 31 | 96.4 Ų | 96.4 | 16% | 0.159 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -75.6 | -44.5 | 174.3 | -73.4 | 164.1 | 0 | 0 | 0 | 109.9 | Q408 I412 Q515 R516 I517 E521 L522 E523 | Q408-I519 HydrophobicContact CB-CD1 4.29Å; Q408-I519 HydrophobicContact CG-CD1 4.16Å; I412-I519 HydrophobicContact CD1-CD1 4.42Å; I412-I519 HydrophobicContact CD1-CG1 4.11Å; I412-I519 HydrophobicContact CG1-CG1 4.42Å; Q515-I519 VanDerWaalsContact O-CG1 3.31Å; Q515-I519 WeakPolarHBondContact O-CG1 3.42Å; Q515-I519 PolarHBondContact O-N 2.89Å; R516-I519 PolarHBondContact O-N 3.19Å; R516-I519 VanDerWaalsContact O-N 3.1Å; I517-I519 PolarHBondContact O-N 3.44Å; I519-E521 PolarHBondContact O-N 3.3Å; I519-L522 CarbonylContact O-C 3.5Å; I519-L522 PolarHBondContact O-N 3.08Å; I519-E523 HydrophobicContact CG2-CG 4.13Å; I519-E523 WeakPolarHBondContact O-CG 3.39Å; I519-E523 PolarHBondContact O-N 3.11Å |
| 520 | C | 75.2 | Confident | 73.5 | Confident | 69 Ų | 69 | 95.7 Ų | 95.7 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | R516 I517 L522 E523 E524 | R516-C520 PolarHBondContact O-N 3.38Å; I517-C520 PolarHBondContact O-N 3.49Å; C520-L522 PolarHBondContact O-N 3.35Å; C520-L522 VanDerWaalsContact O-N 3.09Å; C520-E523 PolarHBondContact O-N 3.34Å; C520-E523 VanDerWaalsContact O-N 3.16Å; C520-E524 PolarHBondContact O-N 3.13Å |
| 521 | E | 74.1 | Confident | 73.9 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 44% | 0.444 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.7 | -27.6 | 174.6 | -70.8 | 179 | 169.6 | 0 | 0 | 113.6 | I517 R518 I519 R525 | I517-E521 PolarHBondContact O-N 3.43Å; I517-E521 VanDerWaalsContact O-N 3.08Å; R518-E521 WeakPolarHBondContact CD-OE2 3.19Å; R518-E521 IonicContact CZ-OE2 3.55Å; R518-E521 IonicContact NE-OE2 2.72Å; R518-E521 IonicContact NH1-OE2 3.48Å; R518-E521 PolarHBondContact NH1-OE2 3.23Å; I519-E521 PolarHBondContact O-N 3.3Å; E521-R525 WeakPolarHBondContact O-CB 3.48Å |
| 522 | L | 71.7 | Confident | 74.3 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 42% | 0.419 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -95.4 | -28.9 | -179.1 | -72 | 172.3 | 0 | 0 | 0 | 112.8 | R518 I519 C520 R526 | R518-L522 WeakPolarHBondContact O-CD1 3.29Å; R518-L522 VanDerWaalsContact O-CG 3.27Å; R518-L522 WeakPolarHBondContact O-CG 3.39Å; R518-L522 PolarHBondContact O-N 2.99Å; I519-L522 CarbonylContact O-C 3.5Å; I519-L522 PolarHBondContact O-N 3.08Å; C520-L522 PolarHBondContact O-N 3.35Å; C520-L522 VanDerWaalsContact O-N 3.09Å; L522-R526 PolarHBondContact O-N 3.1Å |
| 523 | E | 75.8 | Confident | 74.7 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.6 | -46.4 | 175.9 | -73.2 | 177 | 158.2 | 0 | 0 | 110.6 | I519 C520 R525 R526 E527 | I519-E523 HydrophobicContact CG2-CG 4.13Å; I519-E523 WeakPolarHBondContact O-CG 3.39Å; I519-E523 PolarHBondContact O-N 3.11Å; C520-E523 PolarHBondContact O-N 3.34Å; C520-E523 VanDerWaalsContact O-N 3.16Å; E523-R525 VanDerWaalsContact C-N 3.26Å; E523-R525 PolarHBondContact O-N 2.77Å; E523-R526 WeakPolarHBondContact O-CB 3.47Å; E523-R526 PolarHBondContact O-N 2.64Å; E523-E527 PolarHBondContact O-N 3.41Å |
| 524 | E | 77.3 | Confident | 75 | Confident | 131 Ų | 131 | 103.3 Ų | 103.3 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.7 | -41.7 | 170.3 | -69.7 | 174.7 | -179.1 | 0 | 0 | 111.6 | C520 R526 E527 I528 | C520-E524 PolarHBondContact O-N 3.13Å; E524-R526 VanDerWaalsContact C-N 3.3Å; E524-R526 PolarHBondContact O-N 3.47Å; E524-E527 PolarHBondContact O-N 2.67Å; E524-I528 PolarHBondContact O-N 3.12Å |
| 525 | R | 76.2 | Confident | 75.4 | Confident | 156 Ų | 156 | 102.4 Ų | 102.4 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -73.6 | -20.3 | 178.7 | -165.9 | 169.4 | -172.5 | 118.3 | 9.4 | 113.3 | E521 E523 L529 | E521-R525 WeakPolarHBondContact O-CB 3.48Å; E523-R525 VanDerWaalsContact C-N 3.26Å; E523-R525 PolarHBondContact O-N 2.77Å; R525-L529 HydrophobicContact CG-CD1 4.5Å; R525-L529 WeakPolarHBondContact O-CD1 3.38Å; R525-L529 WeakPolarHBondContact O-CG 3.3Å; R525-L529 PolarHBondContact O-N 2.98Å |
| 526 | R | 71.2 | Confident | 76 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.6 | -41 | 173.5 | -153.3 | -167.5 | 93.5 | -115.4 | -12 | 110.7 | L522 E523 E524 L529 E530 | L522-R526 PolarHBondContact O-N 3.1Å; E523-R526 WeakPolarHBondContact O-CB 3.47Å; E523-R526 PolarHBondContact O-N 2.64Å; E524-R526 VanDerWaalsContact C-N 3.3Å; E524-R526 PolarHBondContact O-N 3.47Å; R526-L529 PolarHBondContact O-N 2.76Å; R526-E530 IonicContact CZ-OE1 3.33Å; R526-E530 VanDerWaalsContact CZ-OE1 3.26Å; R526-E530 IonicContact CZ-OE2 2.74Å; R526-E530 IonicContact NE-OE1 3.55Å; R526-E530 PolarHBondContact NE-OE1 2.99Å; R526-E530 IonicContact NE-OE2 2.67Å; R526-E530 VanDerWaalsContact NH2-CD 3.27Å; R526-E530 IonicContact NH2-OE1 3.52Å; R526-E530 PolarHBondContact NH2-OE1 2.87Å; R526-E530 IonicContact NH2-OE2 2.67Å; R526-E530 PolarHBondContact NH2-OE2 2.98Å; R526-E530 WeakPolarHBondContact O-CG 3.16Å; R526-E530 PolarHBondContact O-N 3.43Å |
| 527 | E | 79.4 | Confident | 76.2 | Confident | 144 Ų | 144 | 103.9 Ų | 103.9 | 67% | 0.673 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 178.7 | -166.8 | 164.4 | -155.3 | 0 | 0 | 111.4 | E523 E524 L529 E530 E531 | E523-E527 PolarHBondContact O-N 3.41Å; E524-E527 PolarHBondContact O-N 2.67Å; E527-L529 VanDerWaalsContact C-N 3.33Å; E527-L529 PolarHBondContact O-N 3.07Å; E527-E530 PolarHBondContact O-N 3.4Å; E527-E531 PolarHBondContact O-N 3.17Å |
| 528 | I | 80.7 | Confident | 76.4 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 174.1 | -61.9 | 167.4 | 0 | 0 | 0 | 111.9 | E524 E531 E532 | E524-I528 PolarHBondContact O-N 3.12Å; I528-E531 PolarHBondContact O-N 2.64Å; I528-E532 PolarHBondContact O-N 3.3Å |
| 529 | L | 73.3 | Confident | 76.9 | Confident | 80 Ų | 80 | 103.7 Ų | 103.7 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72 | -29.4 | 179.1 | -74.2 | 169.9 | 0 | 0 | 0 | 112.9 | R525 R526 E527 I533 | R525-L529 HydrophobicContact CG-CD1 4.5Å; R525-L529 WeakPolarHBondContact O-CD1 3.38Å; R525-L529 WeakPolarHBondContact O-CG 3.3Å; R525-L529 PolarHBondContact O-N 2.98Å; R526-L529 PolarHBondContact O-N 2.76Å; E527-L529 VanDerWaalsContact C-N 3.33Å; E527-L529 PolarHBondContact O-N 3.07Å; L529-I533 WeakPolarHBondContact O-CB 3.49Å; L529-I533 WeakPolarHBondContact O-CD1 3.49Å; L529-I533 WeakPolarHBondContact O-CG1 3.31Å; L529-I533 PolarHBondContact O-N 2.91Å |
| 530 | E | 79.1 | Confident | 77.4 | Confident | 93 Ų | 93 | 108.6 Ų | 108.6 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 172.9 | -76 | 172.6 | 177.7 | 0 | 0 | 111 | R526 E527 A534 | R526-E530 IonicContact CZ-OE1 3.33Å; R526-E530 VanDerWaalsContact CZ-OE1 3.26Å; R526-E530 IonicContact CZ-OE2 2.74Å; R526-E530 IonicContact NE-OE1 3.55Å; R526-E530 PolarHBondContact NE-OE1 2.99Å; R526-E530 IonicContact NE-OE2 2.67Å; R526-E530 VanDerWaalsContact NH2-CD 3.27Å; R526-E530 IonicContact NH2-OE1 3.52Å; R526-E530 PolarHBondContact NH2-OE1 2.87Å; R526-E530 IonicContact NH2-OE2 2.67Å; R526-E530 PolarHBondContact NH2-OE2 2.98Å; R526-E530 WeakPolarHBondContact O-CG 3.16Å; R526-E530 PolarHBondContact O-N 3.43Å; E527-E530 PolarHBondContact O-N 3.4Å; E530-A534 PolarHBondContact O-N 3.47Å; E530-A534 VanDerWaalsContact O-N 3.12Å |
| 531 | E | 81.1 | Confident | 77.7 | Confident | 126 Ų | 126 | 108.9 Ų | 108.9 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.6 | -44.9 | 171.7 | -167.6 | 176.2 | -165 | 0 | 0 | 112.6 | E527 I528 I533 A534 Q535 | E527-E531 PolarHBondContact O-N 3.17Å; I528-E531 PolarHBondContact O-N 2.64Å; E531-I533 VanDerWaalsContact C-N 3.31Å; E531-I533 PolarHBondContact O-N 3.13Å; E531-A534 PolarHBondContact O-N 3.02Å; E531-Q535 WeakPolarHBondContact O-CG 3.47Å; E531-Q535 PolarHBondContact O-N 2.54Å; E531-Q535 VanDerWaalsContact O-N 3.14Å |
| 532 | E | 77.4 | Confident | 78.1 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 173.6 | -75.8 | -177.2 | 179.1 | 0 | 0 | 112 | I528 Q535 V536 | I528-E532 PolarHBondContact O-N 3.3Å; E532-Q535 PolarHBondContact O-N 3.46Å; E532-V536 WeakPolarHBondContact O-CG2 3.47Å; E532-V536 PolarHBondContact O-N 3.44Å; E532-V536 VanDerWaalsContact O-N 3.1Å |
| 533 | I | 76.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.3 | -74.1 | 167.3 | 0 | 0 | 0 | 111.5 | L529 E531 V536 Q537 | L529-I533 WeakPolarHBondContact O-CB 3.49Å; L529-I533 WeakPolarHBondContact O-CD1 3.49Å; L529-I533 WeakPolarHBondContact O-CG1 3.31Å; L529-I533 PolarHBondContact O-N 2.91Å; E531-I533 VanDerWaalsContact C-N 3.31Å; E531-I533 PolarHBondContact O-N 3.13Å; I533-V536 PolarHBondContact O-N 3.05Å; I533-Q537 HydrophobicContact CG2-CG 4.48Å; I533-Q537 WeakPolarHBondContact O-CG 3.36Å; I533-Q537 PolarHBondContact O-N 3.15Å |
| 534 | A | 82.4 | Confident | 78.4 | Confident | 53 Ų | 53 | 107.4 Ų | 107.4 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E530 E531 V536 Q537 E538 | E530-A534 PolarHBondContact O-N 3.47Å; E530-A534 VanDerWaalsContact O-N 3.12Å; E531-A534 PolarHBondContact O-N 3.02Å; A534-V536 VanDerWaalsContact C-N 3.33Å; A534-V536 PolarHBondContact O-N 3.37Å; A534-Q537 PolarHBondContact O-N 3.26Å; A534-E538 PolarHBondContact O-N 2.72Å |
| 535 | Q | 81 | Confident | 78.6 | Confident | 114 Ų | 114 | 107.4 Ų | 107.4 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 176.6 | -65.7 | 174.3 | 25.6 | 0 | 0 | 112.2 | E531 E532 E538 L539 | E531-Q535 WeakPolarHBondContact O-CG 3.47Å; E531-Q535 PolarHBondContact O-N 2.54Å; E531-Q535 VanDerWaalsContact O-N 3.14Å; E532-Q535 PolarHBondContact O-N 3.46Å; Q535-E538 PolarHBondContact O-N 2.91Å; Q535-L539 WeakPolarHBondContact O-CB 3.35Å; Q535-L539 PolarHBondContact O-N 3.46Å; Q535-L539 VanDerWaalsContact O-N 3.07Å |
| 536 | V | 76.3 | Confident | 78.9 | Confident | 97 Ų | 97 | 105.4 Ų | 105.4 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.7 | -32.8 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 112 | E532 I533 A534 F540 | E532-V536 WeakPolarHBondContact O-CG2 3.47Å; E532-V536 PolarHBondContact O-N 3.44Å; E532-V536 VanDerWaalsContact O-N 3.1Å; I533-V536 PolarHBondContact O-N 3.05Å; A534-V536 VanDerWaalsContact C-N 3.33Å; A534-V536 PolarHBondContact O-N 3.37Å; V536-F540 WeakPolarHBondContact O-CB 3.37Å; V536-F540 PolarHBondContact O-N 3.26Å |
| 537 | Q | 78.2 | Confident | 79.2 | Confident | 129 Ų | 129 | 103.5 Ų | 103.5 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68 | -43.2 | 173.4 | -74.8 | 177.1 | 7.2 | 0 | 0 | 111.8 | I533 A534 L539 F540 T541 | I533-Q537 HydrophobicContact CG2-CG 4.48Å; I533-Q537 WeakPolarHBondContact O-CG 3.36Å; I533-Q537 PolarHBondContact O-N 3.15Å; A534-Q537 PolarHBondContact O-N 3.26Å; Q537-L539 PolarHBondContact O-N 2.77Å; Q537-F540 WeakPolarHBondContact O-CB 3.5Å; Q537-F540 PolarHBondContact O-N 3.49Å; Q537-F540 VanDerWaalsContact O-N 3.15Å; Q537-T541 PolarHBondContact O-N 3.39Å; Q537-T541 PolarHBondContact O-OG1 3.45Å; Q537-T541 VanDerWaalsContact O-OG1 3.13Å |
| 538 | E | 80.6 | Confident | 79.3 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 175.5 | -172.7 | 171.3 | -160.7 | 0 | 0 | 111.4 | A534 Q535 F540 T541 V542 | A534-E538 PolarHBondContact O-N 2.72Å; Q535-E538 PolarHBondContact O-N 2.91Å; E538-F540 VanDerWaalsContact C-N 3.3Å; E538-F540 PolarHBondContact O-N 2.82Å; E538-T541 WeakPolarHBondContact CA-OG1 3.48Å; E538-T541 PolarHBondContact O-N 2.82Å; E538-T541 PolarHBondContact O-OG1 3.24Å; E538-V542 PolarHBondContact O-N 2.83Å; E538-V542 VanDerWaalsContact O-N 3.14Å |
| 539 | L | 79.2 | Confident | 79.3 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -33.6 | 174.7 | -171.5 | 66.8 | 0 | 0 | 0 | 113 | Q535 Q537 T543 | Q535-L539 WeakPolarHBondContact O-CB 3.35Å; Q535-L539 PolarHBondContact O-N 3.46Å; Q535-L539 VanDerWaalsContact O-N 3.07Å; Q537-L539 PolarHBondContact O-N 2.77Å; L539-T543 WeakPolarHBondContact O-CG2 3.48Å; L539-T543 PolarHBondContact O-N 2.81Å; L539-T543 PolarHBondContact O-OG1 2.97Å |
| 540 | F | 79.9 | Confident | 79.4 | Confident | 133 Ų | 133 | 99.8 Ų | 99.8 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -40 | 174.5 | -175.1 | -93 | 0 | 0 | 0 | 111.9 | V536 Q537 E538 T543 Q544 | V536-F540 WeakPolarHBondContact O-CB 3.37Å; V536-F540 PolarHBondContact O-N 3.26Å; Q537-F540 WeakPolarHBondContact O-CB 3.5Å; Q537-F540 PolarHBondContact O-N 3.49Å; Q537-F540 VanDerWaalsContact O-N 3.15Å; E538-F540 VanDerWaalsContact C-N 3.3Å; E538-F540 PolarHBondContact O-N 2.82Å; F540-T543 PolarHBondContact O-OG1 2.75Å; F540-Q544 VanDerWaalsContact O-CB 3.3Å; F540-Q544 WeakPolarHBondContact O-CB 3.39Å; F540-Q544 PolarHBondContact O-N 3.19Å |
| 541 | T | 81.2 | Confident | 79.5 | Confident | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 173.2 | 21.5 | 0 | 0 | 0 | 0 | 112.3 | Q537 E538 T543 Q544 E545 | Q537-T541 PolarHBondContact O-N 3.39Å; Q537-T541 PolarHBondContact O-OG1 3.45Å; Q537-T541 VanDerWaalsContact O-OG1 3.13Å; E538-T541 WeakPolarHBondContact CA-OG1 3.48Å; E538-T541 PolarHBondContact O-N 2.82Å; E538-T541 PolarHBondContact O-OG1 3.24Å; T541-T543 PolarHBondContact O-N 3.1Å; T541-Q544 WeakPolarHBondContact O-CB 3.49Å; T541-Q544 PolarHBondContact O-N 3.32Å; T541-E545 PolarHBondContact O-N 2.65Å |
| 542 | V | 82.7 | Confident | 79.6 | Confident | 67 Ų | 67 | 103.1 Ų | 103.1 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 178.8 | 176 | 0 | 0 | 0 | 0 | 111.4 | E538 Q544 E545 E546 | E538-V542 PolarHBondContact O-N 2.83Å; E538-V542 VanDerWaalsContact O-N 3.14Å; V542-Q544 VanDerWaalsContact C-N 3.26Å; V542-Q544 PolarHBondContact O-N 2.87Å; V542-E545 WeakPolarHBondContact O-CB 3.34Å; V542-E545 PolarHBondContact O-N 3.42Å; V542-E545 VanDerWaalsContact O-N 3.1Å; V542-E546 PolarHBondContact O-N 2.73Å |
| 543 | T | 71.9 | Confident | 79.8 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 39% | 0.387 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.6 | -23 | 178.9 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | L539 F540 T541 L547 | L539-T543 WeakPolarHBondContact O-CG2 3.48Å; L539-T543 PolarHBondContact O-N 2.81Å; L539-T543 PolarHBondContact O-OG1 2.97Å; F540-T543 PolarHBondContact O-OG1 2.75Å; T541-T543 PolarHBondContact O-N 3.1Å; T543-L547 WeakPolarHBondContact O-CB 3.41Å; T543-L547 PolarHBondContact O-N 2.73Å |
| 544 | Q | 80.8 | Confident | 80 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.8 | -35.9 | 169.9 | -177.7 | 174.5 | -18.6 | 0 | 0 | 112.1 | F540 T541 V542 S548 | F540-Q544 VanDerWaalsContact O-CB 3.3Å; F540-Q544 WeakPolarHBondContact O-CB 3.39Å; F540-Q544 PolarHBondContact O-N 3.19Å; T541-Q544 WeakPolarHBondContact O-CB 3.49Å; T541-Q544 PolarHBondContact O-N 3.32Å; V542-Q544 VanDerWaalsContact C-N 3.26Å; V542-Q544 PolarHBondContact O-N 2.87Å; Q544-S548 PolarHBondContact O-N 2.91Å |
| 545 | E | 82.6 | Confident | 80 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.1 | -47.6 | 174.2 | -70.1 | 179.7 | 170.1 | 0 | 0 | 111.4 | T541 V542 L547 S548 E549 | T541-E545 PolarHBondContact O-N 2.65Å; V542-E545 WeakPolarHBondContact O-CB 3.34Å; V542-E545 PolarHBondContact O-N 3.42Å; V542-E545 VanDerWaalsContact O-N 3.1Å; E545-L547 VanDerWaalsContact C-N 3.27Å; E545-L547 PolarHBondContact O-N 2.76Å; E545-S548 WeakPolarHBondContact O-CA 3.25Å; E545-S548 WeakPolarHBondContact O-CB 3.43Å; E545-S548 PolarHBondContact O-N 2.86Å; E545-S548 PolarHBondContact O-OG 3.36Å; E545-E549 PolarHBondContact O-N 2.72Å |
| 546 | E | 81.2 | Confident | 80.1 | Confident | 113 Ų | 113 | 109.4 Ų | 109.4 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.5 | -40.1 | 173.9 | -69.2 | -179.9 | 151.2 | 0 | 0 | 112.5 | V542 S548 E549 T550 | V542-E546 PolarHBondContact O-N 2.73Å; E546-S548 VanDerWaalsContact C-N 3.28Å; E546-S548 PolarHBondContact O-N 3.33Å; E546-E549 PolarHBondContact O-N 2.87Å; E546-T550 WeakPolarHBondContact O-CB 3.5Å; E546-T550 PolarHBondContact O-N 2.91Å; E546-T550 PolarHBondContact O-OG1 2.84Å |
| 547 | L | 77.6 | Confident | 80.2 | Confident | 97 Ų | 97 | 109.2 Ų | 109.2 | 51% | 0.508 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -31.9 | 175.9 | -171.2 | 72.9 | 0 | 0 | 0 | 112.1 | T543 E545 R551 | T543-L547 WeakPolarHBondContact O-CB 3.41Å; T543-L547 PolarHBondContact O-N 2.73Å; E545-L547 VanDerWaalsContact C-N 3.27Å; E545-L547 PolarHBondContact O-N 2.76Å; L547-R551 VanDerWaalsContact O-CG 3.31Å; L547-R551 WeakPolarHBondContact O-CG 3.49Å; L547-R551 PolarHBondContact O-N 3.43Å |
| 548 | S | 81 | Confident | 80.2 | Confident | 65 Ų | 65 | 107.5 Ų | 107.5 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 177.1 | 79.6 | 0 | 0 | 0 | 0 | 111.9 | Q544 E545 E546 T550 R551 M552 | Q544-S548 PolarHBondContact O-N 2.91Å; E545-S548 WeakPolarHBondContact O-CA 3.25Å; E545-S548 WeakPolarHBondContact O-CB 3.43Å; E545-S548 PolarHBondContact O-N 2.86Å; E545-S548 PolarHBondContact O-OG 3.36Å; E546-S548 VanDerWaalsContact C-N 3.28Å; E546-S548 PolarHBondContact O-N 3.33Å; S548-T550 VanDerWaalsContact C-N 3.34Å; S548-T550 PolarHBondContact O-N 3.16Å; S548-R551 WeakPolarHBondContact O-CB 3.45Å; S548-R551 PolarHBondContact O-N 2.9Å; S548-R551 VanDerWaalsContact O-N 3.17Å; S548-M552 PolarHBondContact O-N 3.41Å |
| 549 | E | 82.3 | Confident | 80.3 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.2 | -162.4 | -162 | -165.5 | 0 | 0 | 111.2 | E545 E546 R551 M552 R553 | E545-E549 PolarHBondContact O-N 2.72Å; E546-E549 PolarHBondContact O-N 2.87Å; E549-R551 VanDerWaalsContact C-N 3.26Å; E549-R551 PolarHBondContact O-N 3.49Å; E549-M552 PolarHBondContact O-N 3.4Å; E549-R553 VanDerWaalsContact CD-CZ 3.47Å; E549-R553 VanDerWaalsContact CD-NH2 3.32Å; E549-R553 PolarHBondContact O-N 3.48Å; E549-R553 VanDerWaalsContact O-N 3.1Å; E549-R553 IonicContact OE1-CZ 2.91Å; E549-R553 VanDerWaalsContact OE1-CZ 3.27Å; E549-R553 IonicContact OE1-NH1 3.92Å; E549-R553 PolarHBondContact OE1-NH1 2.88Å; E549-R553 IonicContact OE1-NH2 3.66Å; E549-R553 PolarHBondContact OE1-NH2 2.88Å; E549-R553 IonicContact OE2-CZ 3.79Å; E549-R553 IonicContact OE2-NH1 2.68Å; E549-R553 PolarHBondContact OE2-NH1 2.8Å; E549-R553 IonicContact OE2-NH2 2.77Å |
| 550 | T | 75.3 | Confident | 80.5 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | E546 S548 K554 | E546-T550 WeakPolarHBondContact O-CB 3.5Å; E546-T550 PolarHBondContact O-N 2.91Å; E546-T550 PolarHBondContact O-OG1 2.84Å; S548-T550 VanDerWaalsContact C-N 3.34Å; S548-T550 PolarHBondContact O-N 3.16Å; T550-K554 PolarHBondContact O-N 2.98Å |
| 551 | R | 81.2 | Confident | 80.3 | Confident | 174 Ų | 174 | 104.7 Ų | 104.7 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.1 | -41.8 | 174.1 | -76 | 171.9 | -178.7 | -143 | 1.8 | 112.3 | L547 S548 E549 K554 E555 | L547-R551 VanDerWaalsContact O-CG 3.31Å; L547-R551 WeakPolarHBondContact O-CG 3.49Å; L547-R551 PolarHBondContact O-N 3.43Å; S548-R551 WeakPolarHBondContact O-CB 3.45Å; S548-R551 PolarHBondContact O-N 2.9Å; S548-R551 VanDerWaalsContact O-N 3.17Å; E549-R551 VanDerWaalsContact C-N 3.26Å; E549-R551 PolarHBondContact O-N 3.49Å; R551-K554 WeakPolarHBondContact O-CB 3.29Å; R551-K554 PolarHBondContact O-N 2.92Å; R551-E555 PolarHBondContact O-N 3.39Å |
| 552 | M | 83.2 | Confident | 80.3 | Confident | 116 Ų | 116 | 106.7 Ų | 106.7 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 177.1 | -64.5 | -167.9 | -62.6 | 0 | 0 | 111.1 | S548 E549 K554 E555 E556 | S548-M552 PolarHBondContact O-N 3.41Å; E549-M552 PolarHBondContact O-N 3.4Å; M552-K554 VanDerWaalsContact C-N 3.25Å; M552-K554 PolarHBondContact O-N 2.91Å; M552-E555 PolarHBondContact O-N 3.35Å; M552-E556 PolarHBondContact O-N 3.12Å |
| 553 | R | 81.8 | Confident | 80.2 | Confident | 126 Ų | 126 | 106 Ų | 106 | 48% | 0.475 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.8 | -34.1 | 175 | -72.1 | -173.5 | 177.3 | 109 | 9.6 | 113.8 | E549 E556 V557 | E549-R553 VanDerWaalsContact CD-CZ 3.47Å; E549-R553 VanDerWaalsContact CD-NH2 3.32Å; E549-R553 PolarHBondContact O-N 3.48Å; E549-R553 VanDerWaalsContact O-N 3.1Å; E549-R553 IonicContact OE1-CZ 2.91Å; E549-R553 VanDerWaalsContact OE1-CZ 3.27Å; E549-R553 IonicContact OE1-NH1 3.92Å; E549-R553 PolarHBondContact OE1-NH1 2.88Å; E549-R553 IonicContact OE1-NH2 3.66Å; E549-R553 PolarHBondContact OE1-NH2 2.88Å; E549-R553 IonicContact OE2-CZ 3.79Å; E549-R553 IonicContact OE2-NH1 2.68Å; E549-R553 PolarHBondContact OE2-NH1 2.8Å; E549-R553 IonicContact OE2-NH2 2.77Å; R553-E556 WeakPolarHBondContact CA-OE2 3.46Å; R553-V557 WeakPolarHBondContact O-CG2 3.34Å; R553-V557 PolarHBondContact O-N 3.18Å |
| 554 | K | 79.3 | Confident | 80.6 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 174.3 | 178.2 | -178.4 | 173.2 | -71.8 | 0 | 111.3 | T550 R551 M552 V557 E558 | T550-K554 PolarHBondContact O-N 2.98Å; R551-K554 WeakPolarHBondContact O-CB 3.29Å; R551-K554 PolarHBondContact O-N 2.92Å; M552-K554 VanDerWaalsContact C-N 3.25Å; M552-K554 PolarHBondContact O-N 2.91Å; K554-V557 PolarHBondContact O-N 3.36Å; K554-E558 WeakPolarHBondContact CE-OE1 3.43Å; K554-E558 IonicContact NZ-OE1 2.75Å; K554-E558 PolarHBondContact NZ-OE1 2.99Å; K554-E558 IonicContact NZ-OE2 3.24Å; K554-E558 PolarHBondContact NZ-OE2 3.43Å; K554-E558 WeakPolarHBondContact O-CG 3.36Å; K554-E558 PolarHBondContact O-N 3.4Å |
| 555 | E | 81.9 | Confident | 80.5 | Confident | 129 Ų | 129 | 109.4 Ų | 109.4 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -36 | -179.7 | -168 | 166.1 | -175.2 | 0 | 0 | 111.7 | R551 M552 E558 N559 | R551-E555 PolarHBondContact O-N 3.39Å; M552-E555 PolarHBondContact O-N 3.35Å; E555-E558 PolarHBondContact O-N 3.27Å; E555-N559 PolarHBondContact O-N 3.1Å; E555-N559 VanDerWaalsContact O-N 3.1Å; E555-N559 PolarHBondContact O-ND2 3.48Å |
| 556 | E | 83.1 | Confident | 80.4 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.2 | -51.9 | 170 | -68.9 | 174.4 | 144.9 | 0 | 0 | 111.6 | M552 R553 E558 N559 E560 | M552-E556 PolarHBondContact O-N 3.12Å; R553-E556 WeakPolarHBondContact CA-OE2 3.46Å; E556-E558 VanDerWaalsContact C-N 3.35Å; E556-E558 PolarHBondContact O-N 3.11Å; E556-N559 WeakPolarHBondContact O-CB 3.46Å; E556-N559 PolarHBondContact O-N 2.97Å; E556-N559 VanDerWaalsContact O-N 3.12Å; E556-E560 PolarHBondContact O-N 3.03Å |
| 557 | V | 79 | Confident | 80.3 | Confident | 93 Ų | 93 | 109.5 Ų | 109.5 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -33.6 | -179.8 | 173 | 0 | 0 | 0 | 0 | 112.6 | R553 K554 N559 E560 L561 | R553-V557 WeakPolarHBondContact O-CG2 3.34Å; R553-V557 PolarHBondContact O-N 3.18Å; K554-V557 PolarHBondContact O-N 3.36Å; V557-N559 VanDerWaalsContact C-N 3.34Å; V557-E560 PolarHBondContact O-N 3.01Å; V557-L561 WeakPolarHBondContact O-CB 3.38Å; V557-L561 PolarHBondContact O-N 2.81Å |
| 558 | E | 79.3 | Confident | 80.3 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 173.3 | -77.8 | 175.7 | 147.3 | 0 | 0 | 112.1 | K554 E555 E556 I562 | K554-E558 WeakPolarHBondContact CE-OE1 3.43Å; K554-E558 IonicContact NZ-OE1 2.75Å; K554-E558 PolarHBondContact NZ-OE1 2.99Å; K554-E558 IonicContact NZ-OE2 3.24Å; K554-E558 PolarHBondContact NZ-OE2 3.43Å; K554-E558 WeakPolarHBondContact O-CG 3.36Å; K554-E558 PolarHBondContact O-N 3.4Å; E555-E558 PolarHBondContact O-N 3.27Å; E556-E558 VanDerWaalsContact C-N 3.35Å; E556-E558 PolarHBondContact O-N 3.11Å; E558-I562 WeakPolarHBondContact O-CD1 3.4Å; E558-I562 WeakPolarHBondContact O-CG1 3.33Å; E558-I562 PolarHBondContact O-N 3.34Å |
| 559 | N | 82.3 | Confident | 80.1 | Confident | 98 Ų | 98 | 111.8 Ų | 111.8 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.1 | -40.6 | 173.1 | -77.1 | -68.2 | 0 | 0 | 0 | 112.6 | E555 E556 V557 L561 I562 A563 | E555-N559 PolarHBondContact O-N 3.1Å; E555-N559 VanDerWaalsContact O-N 3.1Å; E555-N559 PolarHBondContact O-ND2 3.48Å; E556-N559 WeakPolarHBondContact O-CB 3.46Å; E556-N559 PolarHBondContact O-N 2.97Å; E556-N559 VanDerWaalsContact O-N 3.12Å; V557-N559 VanDerWaalsContact C-N 3.34Å; N559-L561 VanDerWaalsContact C-N 3.33Å; N559-L561 PolarHBondContact O-N 3.28Å; N559-I562 PolarHBondContact O-N 3.34Å; N559-A563 PolarHBondContact O-N 3.34Å |
| 560 | E | 83.7 | Confident | 79.9 | Confident | 117 Ų | 117 | 111.4 Ų | 111.4 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 172.9 | -71.2 | -168.9 | 163.7 | 0 | 0 | 111.9 | E556 V557 I562 A563 Y564 | E556-E560 PolarHBondContact O-N 3.03Å; V557-E560 PolarHBondContact O-N 3.01Å; E560-I562 VanDerWaalsContact C-N 3.31Å; E560-I562 PolarHBondContact O-N 3.3Å; E560-A563 WeakPolarHBondContact O-CB 3.47Å; E560-A563 PolarHBondContact O-N 3.49Å; E560-A563 VanDerWaalsContact O-N 3.11Å; E560-Y564 VanDerWaalsContact O-CD2 3.25Å; E560-Y564 WeakPolarHBondContact O-CD2 3.28Å; E560-Y564 PolarHBondContact O-N 3.49Å |
| 561 | L | 75.9 | Confident | 80 | Confident | 110 Ų | 110 | 112.6 Ų | 112.6 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -38.7 | 178.2 | -177 | 61 | 0 | 0 | 0 | 112.2 | V557 N559 A563 Y564 V565 | V557-L561 WeakPolarHBondContact O-CB 3.38Å; V557-L561 PolarHBondContact O-N 2.81Å; N559-L561 VanDerWaalsContact C-N 3.33Å; N559-L561 PolarHBondContact O-N 3.28Å; L561-A563 VanDerWaalsContact C-N 3.33Å; L561-A563 PolarHBondContact O-N 2.9Å; L561-Y564 PolarHBondContact O-N 3.14Å; L561-V565 WeakPolarHBondContact O-CG2 3.5Å; L561-V565 PolarHBondContact O-N 3.34Å |
| 562 | I | 80.6 | Confident | 79.7 | Confident | 117 Ų | 117 | 110.7 Ų | 110.7 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 174.9 | -69.2 | 164.9 | 0 | 0 | 0 | 111.1 | E558 N559 E560 K566 | E558-I562 WeakPolarHBondContact O-CD1 3.4Å; E558-I562 WeakPolarHBondContact O-CG1 3.33Å; E558-I562 PolarHBondContact O-N 3.34Å; N559-I562 PolarHBondContact O-N 3.34Å; E560-I562 VanDerWaalsContact C-N 3.31Å; E560-I562 PolarHBondContact O-N 3.3Å; I562-K566 PolarHBondContact O-N 3.12Å |
| 563 | A | 81 | Confident | 79.3 | Confident | 53 Ų | 53 | 107.5 Ų | 107.5 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N559 E560 L561 V565 K566 D567 | N559-A563 PolarHBondContact O-N 3.34Å; E560-A563 WeakPolarHBondContact O-CB 3.47Å; E560-A563 PolarHBondContact O-N 3.49Å; E560-A563 VanDerWaalsContact O-N 3.11Å; L561-A563 VanDerWaalsContact C-N 3.33Å; L561-A563 PolarHBondContact O-N 2.9Å; A563-V565 VanDerWaalsContact C-N 3.32Å; A563-V565 PolarHBondContact O-N 2.91Å; A563-K566 WeakPolarHBondContact O-CB 3.42Å; A563-K566 PolarHBondContact O-N 2.84Å; A563-K566 VanDerWaalsContact O-N 3.09Å; A563-D567 PolarHBondContact O-N 3.27Å |
| 564 | Y | 79.1 | Confident | 79.1 | Confident | 160 Ų | 160 | 110.3 Ų | 110.3 | 63% | 0.627 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -37.7 | 177.9 | -80.6 | -65.6 | 0 | 0 | 0 | 113.3 | E560 L561 D567 L568 | E560-Y564 VanDerWaalsContact O-CD2 3.25Å; E560-Y564 WeakPolarHBondContact O-CD2 3.28Å; E560-Y564 PolarHBondContact O-N 3.49Å; L561-Y564 PolarHBondContact O-N 3.14Å; Y564-D567 PolarHBondContact O-N 2.93Å; Y564-L568 PolarHBondContact O-N 3.05Å |
| 565 | V | 78.4 | Confident | 79 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 174.8 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L561 A563 D567 L568 E569 | L561-V565 WeakPolarHBondContact O-CG2 3.5Å; L561-V565 PolarHBondContact O-N 3.34Å; A563-V565 VanDerWaalsContact C-N 3.32Å; A563-V565 PolarHBondContact O-N 2.91Å; V565-D567 VanDerWaalsContact C-N 3.34Å; V565-D567 PolarHBondContact O-N 3.19Å; V565-L568 WeakPolarHBondContact O-CB 3.35Å; V565-L568 PolarHBondContact O-N 3.38Å; V565-E569 PolarHBondContact O-N 3.29Å; V565-E569 VanDerWaalsContact O-N 3.12Å |
| 566 | K | 81.1 | Confident | 78.5 | Confident | 150 Ų | 150 | 108.1 Ų | 108.1 | 65% | 0.652 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 177.5 | -168.2 | 178.1 | -178.3 | -178.5 | 0 | 111.8 | I562 A563 E569 N570 | I562-K566 PolarHBondContact O-N 3.12Å; A563-K566 WeakPolarHBondContact O-CB 3.42Å; A563-K566 PolarHBondContact O-N 2.84Å; A563-K566 VanDerWaalsContact O-N 3.09Å; K566-E569 PolarHBondContact O-N 3.11Å; K566-N570 PolarHBondContact O-N 2.96Å; K566-N570 PolarHBondContact O-ND2 3.45Å |
| 567 | D | 80.3 | Confident | 78.2 | Confident | 98 Ų | 98 | 109 Ų | 109 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.2 | -29.7 | 176.6 | -79.5 | -20.6 | 0 | 0 | 0 | 113.8 | A563 Y564 V565 N570 L571 | A563-D567 PolarHBondContact O-N 3.27Å; Y564-D567 PolarHBondContact O-N 2.93Å; V565-D567 VanDerWaalsContact C-N 3.34Å; V565-D567 PolarHBondContact O-N 3.19Å; D567-N570 WeakPolarHBondContact O-CB 3.49Å; D567-N570 PolarHBondContact O-N 2.97Å; D567-N570 PolarHBondContact OD1-ND2 2.73Å; D567-L571 VanDerWaalsContact O-CB 3.3Å; D567-L571 WeakPolarHBondContact O-CB 3.45Å; D567-L571 PolarHBondContact O-N 3.5Å |
| 568 | L | 77.2 | Confident | 78.1 | Confident | 120 Ų | 120 | 110 Ų | 110 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 169.9 | -117.7 | 165 | 0 | 0 | 0 | 111.9 | Y564 V565 L571 R572 | Y564-L568 PolarHBondContact O-N 3.05Å; V565-L568 WeakPolarHBondContact O-CB 3.35Å; V565-L568 PolarHBondContact O-N 3.38Å; L568-L571 PolarHBondContact O-N 2.81Å; L568-R572 WeakPolarHBondContact O-CB 3.39Å; L568-R572 PolarHBondContact O-N 2.78Å |
| 569 | E | 76.6 | Confident | 78 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 174.6 | -155.6 | 73.7 | -101.6 | 0 | 0 | 111.2 | V565 K566 L571 R572 V573 | V565-E569 PolarHBondContact O-N 3.29Å; V565-E569 VanDerWaalsContact O-N 3.12Å; K566-E569 PolarHBondContact O-N 3.11Å; E569-L571 VanDerWaalsContact C-N 3.35Å; E569-L571 PolarHBondContact O-N 3.27Å; E569-R572 WeakPolarHBondContact O-CB 3.37Å; E569-R572 PolarHBondContact O-N 3.46Å; E569-R572 WeakPolarHBondContact OE1-CD 3.35Å; E569-R572 IonicContact OE1-CZ 3.87Å; E569-R572 IonicContact OE1-NE 2.68Å; E569-R572 IonicContact OE1-NH1 3.47Å; E569-R572 PolarHBondContact OE1-NH1 2.99Å; E569-R572 IonicContact OE2-NH1 2.98Å; E569-V573 WeakPolarHBondContact O-CG2 3.45Å; E569-V573 PolarHBondContact O-N 2.72Å |
| 570 | N | 78.8 | Confident | 77.7 | Confident | 78 Ų | 78 | 112.7 Ų | 112.7 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 172.2 | -74.3 | -35.7 | 0 | 0 | 0 | 112 | K566 D567 V573 R574 | K566-N570 PolarHBondContact O-N 2.96Å; K566-N570 PolarHBondContact O-ND2 3.45Å; D567-N570 WeakPolarHBondContact O-CB 3.49Å; D567-N570 PolarHBondContact O-N 2.97Å; D567-N570 PolarHBondContact OD1-ND2 2.73Å; N570-V573 PolarHBondContact O-N 3.29Å; N570-R574 WeakPolarHBondContact O-CG 3.37Å; N570-R574 PolarHBondContact O-N 2.76Å |
| 571 | L | 76.4 | Confident | 77.4 | Confident | 112 Ų | 112 | 115.9 Ų | 115.9 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 179.2 | -170.2 | 70.3 | 0 | 0 | 0 | 111.4 | D567 L568 E569 V573 R574 F575 | D567-L571 VanDerWaalsContact O-CB 3.3Å; D567-L571 WeakPolarHBondContact O-CB 3.45Å; D567-L571 PolarHBondContact O-N 3.5Å; L568-L571 PolarHBondContact O-N 2.81Å; E569-L571 VanDerWaalsContact C-N 3.35Å; E569-L571 PolarHBondContact O-N 3.27Å; L571-V573 PolarHBondContact O-N 3.44Å; L571-R574 PolarHBondContact O-N 3.48Å; L571-F575 WeakPolarHBondContact O-CB 3.16Å; L571-F575 PolarHBondContact O-N 3.42Å |
| 572 | R | 75.6 | Confident | 77.5 | Confident | 134 Ų | 134 | 117.6 Ų | 117.6 | 51% | 0.506 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 173.6 | -178.2 | -168.9 | 179.3 | -170.1 | 0.5 | 111.8 | L568 E569 F575 L576 | L568-R572 WeakPolarHBondContact O-CB 3.39Å; L568-R572 PolarHBondContact O-N 2.78Å; E569-R572 WeakPolarHBondContact O-CB 3.37Å; E569-R572 PolarHBondContact O-N 3.46Å; E569-R572 WeakPolarHBondContact OE1-CD 3.35Å; E569-R572 IonicContact OE1-CZ 3.87Å; E569-R572 IonicContact OE1-NE 2.68Å; E569-R572 IonicContact OE1-NH1 3.47Å; E569-R572 PolarHBondContact OE1-NH1 2.99Å; E569-R572 IonicContact OE2-NH1 2.98Å; R572-F575 PolarHBondContact O-N 3.48Å; R572-L576 WeakPolarHBondContact O-CG 3.4Å; R572-L576 PolarHBondContact O-N 3.32Å |
| 573 | V | 75.1 | Confident | 77.3 | Confident | 50 Ų | 50 | 113.9 Ų | 113.9 | 30% | 0.303 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | E569 N570 L571 K577 | E569-V573 WeakPolarHBondContact O-CG2 3.45Å; E569-V573 PolarHBondContact O-N 2.72Å; N570-V573 PolarHBondContact O-N 3.29Å; L571-V573 PolarHBondContact O-N 3.44Å; V573-K577 HydrophobicContact CG1-CD 4.35Å; V573-K577 WeakPolarHBondContact O-CG 3.32Å; V573-K577 PolarHBondContact O-N 3.22Å |
| 574 | R | 77.4 | Confident | 77.4 | Confident | 184 Ų | 184 | 112.7 Ų | 112.7 | 69% | 0.694 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 173.6 | -71.8 | 177.8 | -178.2 | -162.8 | 1.8 | 111.7 | N570 L571 K577 L578 | N570-R574 WeakPolarHBondContact O-CG 3.37Å; N570-R574 PolarHBondContact O-N 2.76Å; L571-R574 PolarHBondContact O-N 3.48Å; R574-K577 PolarHBondContact O-N 2.64Å; R574-L578 WeakPolarHBondContact O-CB 3.49Å; R574-L578 PolarHBondContact O-N 2.72Å |
| 575 | F | 76.5 | Confident | 77.4 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 178.4 | 176.8 | -99.4 | 0 | 0 | 0 | 112.3 | L571 R572 K577 L578 K579 | L571-F575 WeakPolarHBondContact O-CB 3.16Å; L571-F575 PolarHBondContact O-N 3.42Å; R572-F575 PolarHBondContact O-N 3.48Å; F575-K577 PolarHBondContact O-N 3.23Å; F575-L578 PolarHBondContact O-N 3.38Å; F575-K579 WeakPolarHBondContact O-CB 3.31Å; F575-K579 PolarHBondContact O-N 3.26Å |
| 576 | L | 72.1 | Confident | 77.5 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 38% | 0.382 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.5 | -70.1 | 173.8 | 0 | 0 | 0 | 112.2 | R572 R580 L1063 | R572-L576 WeakPolarHBondContact O-CG 3.4Å; R572-L576 PolarHBondContact O-N 3.32Å; L576-R580 PolarHBondContact O-N 3.28Å; L576-L1063 HydrophobicContact CD1-CD2 4.36Å; L576-L1063 HydrophobicContact CD2-CD2 3.82Å |
| 577 | K | 76.3 | Confident | 77.6 | Confident | 142 Ų | 142 | 102.3 Ų | 102.3 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 173.4 | -71.4 | 174.5 | 179.9 | 178.7 | 0 | 111.8 | V573 R574 F575 R581 | V573-K577 HydrophobicContact CG1-CD 4.35Å; V573-K577 WeakPolarHBondContact O-CG 3.32Å; V573-K577 PolarHBondContact O-N 3.22Å; R574-K577 PolarHBondContact O-N 2.64Å; F575-K577 PolarHBondContact O-N 3.23Å; K577-R581 PolarHBondContact O-N 2.89Å |
| 578 | L | 75.9 | Confident | 77.7 | Confident | 114 Ų | 114 | 98.7 Ų | 98.7 | 60% | 0.597 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.7 | -43.1 | 178.6 | -173.3 | 63.1 | 0 | 0 | 0 | 112.6 | R574 F575 R580 R581 Y582 | R574-L578 WeakPolarHBondContact O-CB 3.49Å; R574-L578 PolarHBondContact O-N 2.72Å; F575-L578 PolarHBondContact O-N 3.38Å; L578-R580 VanDerWaalsContact C-N 3.31Å; L578-R580 PolarHBondContact O-N 3.48Å; L578-R581 WeakPolarHBondContact O-CB 3.35Å; L578-R581 PolarHBondContact O-N 3.23Å; L578-R581 VanDerWaalsContact O-N 3.11Å; L578-Y582 PolarHBondContact O-N 2.85Å |
| 579 | K | 78.2 | Confident | 77.9 | Confident | 104 Ų | 104 | 101 Ų | 101 | 45% | 0.452 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 176.1 | -170.7 | -172.7 | -175.2 | -105.9 | 0 | 111.3 | F575 R581 Y582 E583 | F575-K579 WeakPolarHBondContact O-CB 3.31Å; F575-K579 PolarHBondContact O-N 3.26Å; K579-R581 PolarHBondContact O-N 3.35Å; K579-Y582 WeakPolarHBondContact O-CB 3.46Å; K579-Y582 PolarHBondContact O-N 3.24Å; K579-E583 VanDerWaalsContact CE-OE1 3.3Å; K579-E583 WeakPolarHBondContact CE-OE1 3.19Å; K579-E583 IonicContact NZ-OE1 3.88Å; K579-E583 PolarHBondContact NZ-OE1 3.09Å; K579-E583 PolarHBondContact O-N 3Å |
| 580 | R | 76 | Confident | 78.2 | Confident | 144 Ų | 144 | 101.4 Ų | 101.4 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 175.3 | -178.3 | 177.8 | 174.4 | 171.5 | 1.9 | 112.2 | L576 L578 E584 | L576-R580 PolarHBondContact O-N 3.28Å; L578-R580 VanDerWaalsContact C-N 3.31Å; L578-R580 PolarHBondContact O-N 3.48Å; R580-E584 IonicContact CZ-OE1 2.67Å; R580-E584 IonicContact NE-OE1 3.25Å; R580-E584 PolarHBondContact NE-OE1 3.46Å; R580-E584 IonicContact NH2-OE1 2.77Å; R580-E584 PolarHBondContact NH2-OE1 2.9Å; R580-E584 WeakPolarHBondContact O-CB 3.24Å; R580-E584 WeakPolarHBondContact O-CG 3.41Å; R580-E584 PolarHBondContact O-N 3.25Å |
| 581 | R | 76.9 | Confident | 78.4 | Confident | 185 Ų | 185 | 99.7 Ų | 99.7 | 70% | 0.698 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 174.8 | -76.2 | -177.2 | 174.1 | -174.7 | -1.8 | 111.4 | K577 L578 K579 E584 T585 | K577-R581 PolarHBondContact O-N 2.89Å; L578-R581 WeakPolarHBondContact O-CB 3.35Å; L578-R581 PolarHBondContact O-N 3.23Å; L578-R581 VanDerWaalsContact O-N 3.11Å; K579-R581 PolarHBondContact O-N 3.35Å; R581-E584 PolarHBondContact O-N 2.96Å; R581-T585 WeakPolarHBondContact O-CG2 3.44Å; R581-T585 PolarHBondContact O-N 2.77Å; R581-T585 PolarHBondContact O-OG1 2.88Å; R581-T585 VanDerWaalsContact O-OG1 3.1Å |
| 582 | Y | 77.4 | Confident | 78.6 | Confident | 145 Ų | 145 | 98.4 Ų | 98.4 | 57% | 0.569 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57 | -53.4 | 177.4 | 179.3 | -90.4 | 0 | 0 | 0 | 111.8 | L578 K579 E584 T585 D586 | L578-Y582 PolarHBondContact O-N 2.85Å; K579-Y582 WeakPolarHBondContact O-CB 3.46Å; K579-Y582 PolarHBondContact O-N 3.24Å; Y582-E584 PolarHBondContact O-N 2.87Å; Y582-T585 WeakPolarHBondContact CA-OG1 3.49Å; Y582-T585 PolarHBondContact O-N 2.87Å; Y582-T585 VanDerWaalsContact O-N 3.09Å; Y582-T585 PolarHBondContact O-OG1 3Å; Y582-D586 PolarHBondContact O-N 3.1Å |
| 583 | E | 77.7 | Confident | 79 | Confident | 39 Ų | 39 | 99 Ų | 99 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 178.8 | -68.8 | 179.5 | -153 | 0 | 0 | 112.5 | K579 Y587 R1055 | K579-E583 VanDerWaalsContact CE-OE1 3.3Å; K579-E583 WeakPolarHBondContact CE-OE1 3.19Å; K579-E583 IonicContact NZ-OE1 3.88Å; K579-E583 PolarHBondContact NZ-OE1 3.09Å; K579-E583 PolarHBondContact O-N 3Å; E583-Y587 PolarHBondContact O-N 3.46Å; E583-R1055 IonicContact OE2-CZ 3.85Å; E583-R1055 VanDerWaalsContact OE2-CZ 3.24Å; E583-R1055 IonicContact OE2-NH1 3.69Å; E583-R1055 PolarHBondContact OE2-NH1 3.08Å; E583-R1055 IonicContact OE2-NH2 2.75Å; E583-R1055 PolarHBondContact OE2-NH2 2.87Å |
| 584 | E | 82.8 | Confident | 79.4 | Confident | 28 Ų | 28 | 102.3 Ų | 102.3 | 13% | 0.131 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.6 | -34.4 | 175.4 | -71.6 | -176 | -177.4 | 0 | 0 | 112 | R580 R581 Y582 L588 L1048 Y1051 R1052 | R580-E584 IonicContact CZ-OE1 2.67Å; R580-E584 IonicContact NE-OE1 3.25Å; R580-E584 PolarHBondContact NE-OE1 3.46Å; R580-E584 IonicContact NH2-OE1 2.77Å; R580-E584 PolarHBondContact NH2-OE1 2.9Å; R580-E584 WeakPolarHBondContact O-CB 3.24Å; R580-E584 WeakPolarHBondContact O-CG 3.41Å; R580-E584 PolarHBondContact O-N 3.25Å; R581-E584 PolarHBondContact O-N 2.96Å; Y582-E584 PolarHBondContact O-N 2.87Å; E584-L588 WeakPolarHBondContact O-CG 3.27Å; E584-L588 PolarHBondContact O-N 2.97Å; E584-L1048 HydrophobicContact CB-CD2 3.79Å; E584-L1048 HydrophobicContact CG-CD2 4.07Å; E584-Y1051 HydrophobicContact CG-CD1 4.49Å; E584-Y1051 HydrophobicContact CG-CE1 4.36Å; E584-R1052 IonicContact OE1-CZ 3.7Å; E584-R1052 VanDerWaalsContact OE1-CZ 3.3Å; E584-R1052 IonicContact OE1-NE 3.64Å; E584-R1052 PolarHBondContact OE1-NE 3.05Å; E584-R1052 IonicContact OE1-NH2 3.6Å; E584-R1052 PolarHBondContact OE1-NH2 3.28Å; E584-R1052 IonicContact OE2-CZ 3.77Å; E584-R1052 IonicContact OE2-NE 3.27Å; E584-R1052 IonicContact OE2-NH2 2.79Å; E584-R1052 PolarHBondContact OE2-NH2 2.97Å |
| 585 | T | 79.1 | Confident | 79.6 | Confident | 64 Ų | 64 | 94.5 Ų | 94.5 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -76.6 | -33.1 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | R581 Y582 L588 R589 | R581-T585 WeakPolarHBondContact O-CG2 3.44Å; R581-T585 PolarHBondContact O-N 2.77Å; R581-T585 PolarHBondContact O-OG1 2.88Å; R581-T585 VanDerWaalsContact O-OG1 3.1Å; Y582-T585 WeakPolarHBondContact CA-OG1 3.49Å; Y582-T585 PolarHBondContact O-N 2.87Å; Y582-T585 VanDerWaalsContact O-N 3.09Å; Y582-T585 PolarHBondContact O-OG1 3Å; T585-L588 PolarHBondContact O-N 2.85Å; T585-R589 WeakPolarHBondContact O-CG 3.35Å; T585-R589 PolarHBondContact O-N 2.87Å; T585-R589 VanDerWaalsContact O-N 3.08Å |
| 586 | D | 81.2 | Confident | 79.9 | Confident | 58 Ų | 58 | 94.5 Ų | 94.5 | 31% | 0.31 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 178.1 | -172.7 | 71.5 | 0 | 0 | 0 | 111 | Y582 L588 R589 Q590 | Y582-D586 PolarHBondContact O-N 3.1Å; D586-L588 VanDerWaalsContact C-N 3.28Å; D586-L588 PolarHBondContact O-N 3.47Å; D586-R589 WeakPolarHBondContact O-CA 3.46Å; D586-R589 WeakPolarHBondContact O-CB 3.39Å; D586-R589 PolarHBondContact O-N 3.23Å; D586-Q590 WeakPolarHBondContact O-CG 3.28Å; D586-Q590 PolarHBondContact O-N 3.31Å; D586-Q590 PolarHBondContact OD2-NE2 3.45Å |
| 587 | Y | 82.8 | Confident | 80.4 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 22% | 0.22 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.8 | -40.9 | 175.5 | -172.3 | -111.7 | 0 | 0 | 0 | 112.3 | E583 R589 Q590 E591 I1047 Y1051 | E583-Y587 PolarHBondContact O-N 3.46Å; Y587-R589 PolarHBondContact O-N 2.64Å; Y587-Q590 PolarHBondContact O-N 3.34Å; Y587-E591 PolarHBondContact O-N 3.16Å; Y587-I1047 HydrophobicContact CD1-CG2 3.78Å; Y587-I1047 HydrophobicContact CE1-CG2 3.45Å; Y587-I1047 VanDerWaalsContact CE1-CG2 3.45Å; Y587-Y1051 AromaticContact CD1-CD2 3.45Å; Y587-Y1051 HydrophobicContact CD1-CD2 3.45Å; Y587-Y1051 VanDerWaalsContact CD1-CD2 3.45Å; Y587-Y1051 HydrophobicContact CD1-CE2 4.29Å; Y587-Y1051 AromaticContact CD1-CG 3.76Å; Y587-Y1051 HydrophobicContact CD1-CG 3.76Å; Y587-Y1051 AromaticContact CD2-CD2 3.69Å; Y587-Y1051 HydrophobicContact CD2-CD2 3.69Å; Y587-Y1051 AromaticContact CD2-CE2 3.96Å; Y587-Y1051 HydrophobicContact CD2-CE2 3.96Å; Y587-Y1051 AromaticContact CE1-CD2 3.79Å; Y587-Y1051 HydrophobicContact CE1-CD2 3.79Å; Y587-Y1051 HydrophobicContact CE1-CG 4.1Å; Y587-Y1051 HydrophobicContact CE2-CD2 4.03Å; Y587-Y1051 AromaticContact CG-CD2 3.4Å; Y587-Y1051 HydrophobicContact CG-CD2 3.4Å; Y587-Y1051 AromaticContact CG-CE2 3.8Å; Y587-Y1051 HydrophobicContact CG-CE2 3.8Å; Y587-Y1051 HydrophobicContact CG-CG 4.12Å |
| 588 | L | 82.2 | Confident | 80.6 | Confident | 23 Ų | 23 | 95.7 Ų | 95.7 | 12% | 0.12 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 174 | -70.9 | -179.4 | 0 | 0 | 0 | 113.4 | E584 T585 D586 H592 Y1044 I1047 L1048 | E584-L588 WeakPolarHBondContact O-CG 3.27Å; E584-L588 PolarHBondContact O-N 2.97Å; T585-L588 PolarHBondContact O-N 2.85Å; D586-L588 VanDerWaalsContact C-N 3.28Å; D586-L588 PolarHBondContact O-N 3.47Å; L588-H592 PolarHBondContact O-CD2 3.27Å; L588-H592 VanDerWaalsContact O-CD2 3.29Å; L588-H592 PolarHBondContact O-N 2.85Å; L588-Y1044 HydrophobicContact CD1-CD1 3.64Å; L588-Y1044 HydrophobicContact CD1-CE1 4.06Å; L588-Y1044 HydrophobicContact CD1-CG 4.4Å; L588-Y1044 HydrophobicContact CD2-CD1 3.72Å; L588-Y1044 HydrophobicContact CD2-CE1 4.4Å; L588-Y1044 HydrophobicContact CG-CD1 4.2Å; L588-I1047 HydrophobicContact CD2-CB 3.85Å; L588-I1047 HydrophobicContact CD2-CD1 4.25Å; L588-I1047 HydrophobicContact CD2-CG2 3.65Å; L588-L1048 HydrophobicContact CD1-CD1 4.28Å; L588-L1048 HydrophobicContact CD1-CD2 4.19Å; L588-L1048 HydrophobicContact CD1-CG 4.29Å; L588-L1048 HydrophobicContact CD2-CD2 4.25Å; L588-L1048 HydrophobicContact CD2-CG 4.22Å; L588-L1048 HydrophobicContact CG-CD2 4.08Å; L588-L1048 HydrophobicContact CG-CG 4.42Å |
| 589 | R | 82.2 | Confident | 80.9 | Confident | 169 Ų | 169 | 93.5 Ų | 93.5 | 64% | 0.638 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.3 | -38.3 | 174.3 | -74.2 | 171.9 | 171.1 | 171.1 | -2.8 | 111.8 | T585 D586 Y587 H592 K593 | T585-R589 WeakPolarHBondContact O-CG 3.35Å; T585-R589 PolarHBondContact O-N 2.87Å; T585-R589 VanDerWaalsContact O-N 3.08Å; D586-R589 WeakPolarHBondContact O-CA 3.46Å; D586-R589 WeakPolarHBondContact O-CB 3.39Å; D586-R589 PolarHBondContact O-N 3.23Å; Y587-R589 PolarHBondContact O-N 2.64Å; R589-H592 PolarHBondContact O-N 3.39Å; R589-K593 WeakPolarHBondContact O-CB 3.38Å; R589-K593 PolarHBondContact O-N 3.29Å |
| 590 | Q | 81.7 | Confident | 81 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 46% | 0.458 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 178.2 | -64.6 | -174.4 | 32.2 | 0 | 0 | 112.3 | D586 Y587 K593 K594 | D586-Q590 WeakPolarHBondContact O-CG 3.28Å; D586-Q590 PolarHBondContact O-N 3.31Å; D586-Q590 PolarHBondContact OD2-NE2 3.45Å; Y587-Q590 PolarHBondContact O-N 3.34Å; Q590-K593 PolarHBondContact O-N 2.96Å; Q590-K594 WeakPolarHBondContact O-CG 3.49Å; Q590-K594 PolarHBondContact O-N 3.46Å |
| 591 | E | 82.1 | Confident | 81.2 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 19% | 0.192 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71 | -34 | 176.1 | -64.7 | -49.9 | 131.7 | 0 | 0 | 113.6 | Y587 K594 T595 I1047 | Y587-E591 PolarHBondContact O-N 3.16Å; E591-K594 PolarHBondContact O-N 2.99Å; E591-K594 IonicContact OE1-NZ 3.17Å; E591-K594 PolarHBondContact OE1-NZ 3.37Å; E591-K594 WeakPolarHBondContact OE2-CD 3.33Å; E591-K594 IonicContact OE2-NZ 3.45Å; E591-K594 PolarHBondContact OE2-NZ 3.09Å; E591-T595 PolarHBondContact O-N 3Å; E591-T595 PolarHBondContact O-OG1 3.04Å; E591-T595 VanDerWaalsContact O-OG1 3.08Å; E591-I1047 HydrophobicContact CB-CD1 4.24Å; E591-I1047 HydrophobicContact CG-CG2 3.93Å |
| 592 | H | 81.8 | Confident | 81.3 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 40% | 0.398 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 171.4 | -86.8 | -61.1 | 0 | 0 | 0 | 111.9 | L588 R589 K594 T595 E596 T1041 Y1044 | L588-H592 PolarHBondContact O-CD2 3.27Å; L588-H592 VanDerWaalsContact O-CD2 3.29Å; L588-H592 PolarHBondContact O-N 2.85Å; R589-H592 PolarHBondContact O-N 3.39Å; H592-K594 VanDerWaalsContact C-N 3.29Å; H592-K594 PolarHBondContact O-N 3.32Å; H592-T595 WeakPolarHBondContact O-CA 3.28Å; H592-T595 WeakPolarHBondContact O-CB 3.33Å; H592-T595 PolarHBondContact O-N 3.02Å; H592-E596 PolarHBondContact O-N 2.78Å; H592-T1041 VanDerWaalsContact CE1-CB 3.47Å; H592-T1041 WeakPolarHBondContact CE1-CB 3.37Å; H592-T1041 PolarHBondContact CE1-OG1 3.11Å; H592-T1041 VanDerWaalsContact CE1-OG1 3.3Å; H592-T1041 PolarHBondContact ND1-OG1 3.39Å; H592-Y1044 AromaticContact NE2-CD1 3.63Å; H592-Y1044 AromaticContact NE2-CE1 2.48Å; H592-Y1044 WeakPolarHBondContact NE2-CE1 3.4Å; H592-Y1044 AromaticContact NE2-CZ 2.78Å; H592-Y1044 PolarHBondContact NE2-OH 2.98Å |
| 593 | K | 84.5 | Confident | 81.3 | Confident | 147 Ų | 147 | 81.7 Ų | 81.7 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.5 | -36.9 | 178.2 | -173.1 | 176 | -179 | 178.1 | 0 | 113.1 | R589 Q590 T595 S597 | R589-K593 WeakPolarHBondContact O-CB 3.38Å; R589-K593 PolarHBondContact O-N 3.29Å; Q590-K593 PolarHBondContact O-N 2.96Å; K593-T595 VanDerWaalsContact C-N 3.33Å; K593-S597 PolarHBondContact O-N 3.43Å; K593-S597 PolarHBondContact O-OG 2.9Å |
| 594 | K | 83.1 | Confident | 81.5 | Confident | 119 Ų | 119 | 87 Ų | 87 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 173 | -68.6 | 172.1 | -172.8 | 172.2 | 0 | 112.4 | Q590 E591 H592 | Q590-K594 WeakPolarHBondContact O-CG 3.49Å; Q590-K594 PolarHBondContact O-N 3.46Å; E591-K594 PolarHBondContact O-N 2.99Å; E591-K594 IonicContact OE1-NZ 3.17Å; E591-K594 PolarHBondContact OE1-NZ 3.37Å; E591-K594 WeakPolarHBondContact OE2-CD 3.33Å; E591-K594 IonicContact OE2-NZ 3.45Å; E591-K594 PolarHBondContact OE2-NZ 3.09Å; H592-K594 VanDerWaalsContact C-N 3.29Å; H592-K594 PolarHBondContact O-N 3.32Å |
| 595 | T | 82.1 | Confident | 81.3 | Confident | 19 Ų | 19 | 88.5 Ų | 88.5 | 12% | 0.117 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -74.8 | -45.1 | 179.7 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | E591 H592 K593 S597 R598 L599 A1039 T1041 | E591-T595 PolarHBondContact O-N 3Å; E591-T595 PolarHBondContact O-OG1 3.04Å; E591-T595 VanDerWaalsContact O-OG1 3.08Å; H592-T595 WeakPolarHBondContact O-CA 3.28Å; H592-T595 WeakPolarHBondContact O-CB 3.33Å; H592-T595 PolarHBondContact O-N 3.02Å; K593-T595 VanDerWaalsContact C-N 3.33Å; T595-S597 VanDerWaalsContact C-N 3.3Å; T595-S597 PolarHBondContact O-N 3.39Å; T595-R598 WeakPolarHBondContact O-CB 3.06Å; T595-R598 PolarHBondContact O-N 3.11Å; T595-R598 VanDerWaalsContact O-N 3.09Å; T595-L599 HydrophobicContact CG2-CD1 4.42Å; T595-L599 PolarHBondContact O-N 2.78Å; T595-L599 VanDerWaalsContact O-N 3.09Å; T595-A1039 HydrophobicContact CG2-CB 4.28Å; T595-T1041 PolarHBondContact OG1-OG1 3.37Å |
| 596 | E | 82.3 | Confident | 81.2 | Confident | 131 Ų | 131 | 88 Ų | 88 | 61% | 0.612 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -54.2 | -44.6 | 175.4 | -178.4 | -179.1 | -157.7 | 0 | 0 | 112.1 | H592 R598 L599 H600 | H592-E596 PolarHBondContact O-N 2.78Å; E596-R598 VanDerWaalsContact C-N 3.27Å; E596-R598 PolarHBondContact O-N 3.11Å; E596-L599 PolarHBondContact O-N 3.49Å; E596-L599 VanDerWaalsContact O-N 3.15Å; E596-H600 PolarHBondContact O-N 3.44Å |
| 597 | S | 81.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.5 | -39.6 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | K593 T595 E601 | K593-S597 PolarHBondContact O-N 3.43Å; K593-S597 PolarHBondContact O-OG 2.9Å; T595-S597 VanDerWaalsContact C-N 3.3Å; T595-S597 PolarHBondContact O-N 3.39Å; S597-E601 PolarHBondContact O-N 3.19Å |
| 598 | R | 81.8 | Confident | 81 | Confident | 165 Ų | 165 | 91.5 Ų | 91.5 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -72.7 | -40.1 | 177.2 | -66.8 | 175 | 61.6 | -163.6 | -2.7 | 112.2 | T595 E596 H600 E601 Q602 A1039 | T595-R598 WeakPolarHBondContact O-CB 3.06Å; T595-R598 PolarHBondContact O-N 3.11Å; T595-R598 VanDerWaalsContact O-N 3.09Å; E596-R598 VanDerWaalsContact C-N 3.27Å; E596-R598 PolarHBondContact O-N 3.11Å; R598-H600 VanDerWaalsContact C-N 3.33Å; R598-H600 PolarHBondContact O-N 3.25Å; R598-E601 PolarHBondContact O-N 2.9Å; R598-Q602 PolarHBondContact O-N 3.43Å; R598-Q602 VanDerWaalsContact O-N 3.1Å; R598-A1039 HydrophobicContact CB-CB 3.97Å |
| 599 | L | 81.6 | Confident | 80.9 | Confident | 67 Ų | 67 | 92 Ų | 92 | 35% | 0.351 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.5 | -75 | 169.8 | 0 | 0 | 0 | 111.9 | T595 E596 E601 Q602 A603 F1038 A1039 | T595-L599 HydrophobicContact CG2-CD1 4.42Å; T595-L599 PolarHBondContact O-N 2.78Å; T595-L599 VanDerWaalsContact O-N 3.09Å; E596-L599 PolarHBondContact O-N 3.49Å; E596-L599 VanDerWaalsContact O-N 3.15Å; L599-E601 VanDerWaalsContact C-N 3.28Å; L599-E601 PolarHBondContact O-N 3.4Å; L599-Q602 PolarHBondContact O-N 3.41Å; L599-A603 WeakPolarHBondContact O-CB 3.28Å; L599-A603 PolarHBondContact O-N 2.86Å; L599-F1038 HydrophobicContact CD2-CB 3.88Å; L599-F1038 HydrophobicContact CD2-CD1 4.14Å; L599-F1038 HydrophobicContact CD2-CG 4.47Å; L599-A1039 HydrophobicContact CD2-CB 4.37Å; L599-A1039 WeakPolarHBondContact CD2-O 3.39Å; L599-A1039 HydrophobicContact CG-CB 4.36Å |
| 600 | H | 80 | Confident | 80.6 | Confident | 109 Ų | 109 | 87.6 Ų | 87.6 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -35.7 | 177 | -169.3 | 82.3 | 0 | 0 | 0 | 112.5 | E596 R598 A603 R604 | E596-H600 PolarHBondContact O-N 3.44Å; R598-H600 VanDerWaalsContact C-N 3.33Å; R598-H600 PolarHBondContact O-N 3.25Å; H600-A603 PolarHBondContact O-N 2.67Å; H600-R604 PolarHBondContact NE2-NE 3.4Å; H600-R604 PolarHBondContact NE2-NH2 2.85Å; H600-R604 PolarHBondContact O-N 3.03Å |
| 601 | E | 79.5 | Confident | 80.5 | Confident | 134 Ų | 134 | 88.3 Ų | 88.3 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.1 | -40.7 | 176.5 | -166.1 | 139.1 | -114.3 | 0 | 0 | 112.2 | S597 R598 L599 A603 R604 | S597-E601 PolarHBondContact O-N 3.19Å; R598-E601 PolarHBondContact O-N 2.9Å; L599-E601 VanDerWaalsContact C-N 3.28Å; L599-E601 PolarHBondContact O-N 3.4Å; E601-A603 VanDerWaalsContact C-N 3.29Å; E601-A603 PolarHBondContact O-N 2.98Å; E601-R604 PolarHBondContact O-N 2.95Å |
| 602 | Q | 80.6 | Confident | 80.3 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 20% | 0.201 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 171 | -65.2 | -171.1 | -81.1 | 0 | 0 | 111.9 | R598 L599 R604 S605 L606 E1037 F1038 | R598-Q602 PolarHBondContact O-N 3.43Å; R598-Q602 VanDerWaalsContact O-N 3.1Å; L599-Q602 PolarHBondContact O-N 3.41Å; Q602-R604 PolarHBondContact O-N 3.36Å; Q602-S605 PolarHBondContact O-N 2.83Å; Q602-L606 PolarHBondContact O-N 3.35Å; Q602-E1037 PolarHBondContact NE2-O 3.45Å; Q602-F1038 HydrophobicContact CB-CD1 4.42Å |
| 603 | A | 77 | Confident | 80 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L599 H600 E601 S605 L606 L607 | L599-A603 WeakPolarHBondContact O-CB 3.28Å; L599-A603 PolarHBondContact O-N 2.86Å; H600-A603 PolarHBondContact O-N 2.67Å; E601-A603 VanDerWaalsContact C-N 3.29Å; E601-A603 PolarHBondContact O-N 2.98Å; A603-S605 VanDerWaalsContact C-N 3.34Å; A603-S605 PolarHBondContact O-N 3.09Å; A603-L606 PolarHBondContact O-N 3.27Å; A603-L607 PolarHBondContact O-N 3.33Å |
| 604 | R | 81.7 | Confident | 79.9 | Confident | 150 Ų | 150 | 83.9 Ų | 83.9 | 57% | 0.566 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 175.7 | -73.9 | 178.4 | -178.2 | 167 | 0 | 112.6 | H600 E601 Q602 L607 S608 | H600-R604 PolarHBondContact NE2-NE 3.4Å; H600-R604 PolarHBondContact NE2-NH2 2.85Å; H600-R604 PolarHBondContact O-N 3.03Å; E601-R604 PolarHBondContact O-N 2.95Å; Q602-R604 PolarHBondContact O-N 3.36Å; R604-L607 PolarHBondContact O-N 3.34Å; R604-S608 PolarHBondContact O-N 2.71Å |
| 605 | S | 77.7 | Confident | 79.7 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 42% | 0.42 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | Q602 A603 S608 T609 | Q602-S605 PolarHBondContact O-N 2.83Å; A603-S605 VanDerWaalsContact C-N 3.34Å; A603-S605 PolarHBondContact O-N 3.09Å; S605-S608 PolarHBondContact O-N 3.05Å; S605-T609 PolarHBondContact O-N 2.96Å; S605-T609 VanDerWaalsContact O-N 3.17Å; S605-T609 PolarHBondContact O-OG1 2.94Å |
| 606 | L | 77.8 | Confident | 79.5 | Confident | 54 Ų | 54 | 81.5 Ų | 81.5 | 28% | 0.283 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 175.7 | -81.9 | 157.6 | 0 | 0 | 0 | 113.3 | Q602 A603 T609 T610 F1038 | Q602-L606 PolarHBondContact O-N 3.35Å; A603-L606 PolarHBondContact O-N 3.27Å; L606-T609 PolarHBondContact O-N 3.46Å; L606-T610 PolarHBondContact O-N 3.43Å; L606-T610 VanDerWaalsContact O-N 3.08Å; L606-T610 PolarHBondContact O-OG1 2.92Å; L606-F1038 HydrophobicContact CD1-CE1 3.91Å; L606-F1038 HydrophobicContact CD1-CZ 3.86Å |
| 607 | L | 79.6 | Confident | 79.2 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 58% | 0.576 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.4 | -50.4 | 176.1 | -73.7 | 166.8 | 0 | 0 | 0 | 111.7 | A603 R604 T609 T610 D611 | A603-L607 PolarHBondContact O-N 3.33Å; R604-L607 PolarHBondContact O-N 3.34Å; L607-T609 PolarHBondContact O-N 3.35Å; L607-T610 WeakPolarHBondContact O-CA 3.25Å; L607-T610 VanDerWaalsContact O-CB 3.28Å; L607-T610 WeakPolarHBondContact O-CB 3.44Å; L607-T610 PolarHBondContact O-N 3.1Å; L607-D611 PolarHBondContact O-N 2.83Å |
| 608 | S | 80.1 | Confident | 79.1 | Confident | 77 Ų | 77 | 80.5 Ų | 80.5 | 54% | 0.538 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.7 | -33.6 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | R604 S605 T610 S612 | R604-S608 PolarHBondContact O-N 2.71Å; S605-S608 PolarHBondContact O-N 3.05Å; S608-T610 VanDerWaalsContact C-N 3.32Å; S608-S612 PolarHBondContact O-N 3.26Å; S608-S612 PolarHBondContact O-OG 2.81Å; S608-S612 VanDerWaalsContact O-OG 3.1Å |
| 609 | T | 79.5 | Confident | 78.8 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 20% | 0.202 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 173.2 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | S605 L606 L607 F1032 | S605-T609 PolarHBondContact O-N 2.96Å; S605-T609 VanDerWaalsContact O-N 3.17Å; S605-T609 PolarHBondContact O-OG1 2.94Å; L606-T609 PolarHBondContact O-N 3.46Å; L607-T609 PolarHBondContact O-N 3.35Å; T609-F1032 HydrophobicContact CG2-CB 3.95Å; T609-F1032 HydrophobicContact CG2-CD1 3.85Å; T609-F1032 HydrophobicContact CG2-CG 4.22Å |
| 610 | T | 76.7 | Confident | 78.5 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.8 | -45.3 | 180 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L606 L607 S608 S612 A613 V614 | L606-T610 PolarHBondContact O-N 3.43Å; L606-T610 VanDerWaalsContact O-N 3.08Å; L606-T610 PolarHBondContact O-OG1 2.92Å; L607-T610 WeakPolarHBondContact O-CA 3.25Å; L607-T610 VanDerWaalsContact O-CB 3.28Å; L607-T610 WeakPolarHBondContact O-CB 3.44Å; L607-T610 PolarHBondContact O-N 3.1Å; S608-T610 VanDerWaalsContact C-N 3.32Å; T610-S612 PolarHBondContact O-N 2.93Å; T610-A613 PolarHBondContact O-N 3.47Å; T610-A613 VanDerWaalsContact O-N 3.09Å; T610-V614 PolarHBondContact O-N 2.98Å |
| 611 | D | 79.1 | Confident | 78.4 | Confident | 113 Ų | 113 | 75.6 Ų | 75.6 | 60% | 0.604 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.5 | -36.6 | -179.6 | -63.6 | -35.4 | 0 | 0 | 0 | 111.9 | L607 A613 V614 G615 | L607-D611 PolarHBondContact O-N 2.83Å; D611-A613 VanDerWaalsContact C-N 3.35Å; D611-A613 PolarHBondContact O-N 3.09Å; D611-V614 PolarHBondContact O-N 3.2Å; D611-G615 PolarHBondContact O-N 3.07Å |
| 612 | S | 78 | Confident | 78.3 | Confident | 60 Ų | 60 | 75 Ų | 75 | 42% | 0.42 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.2 | -60 | 0 | 0 | 0 | 0 | 112.5 | S608 T610 G615 | S608-S612 PolarHBondContact O-N 3.26Å; S608-S612 PolarHBondContact O-OG 2.81Å; S608-S612 VanDerWaalsContact O-OG 3.1Å; T610-S612 PolarHBondContact O-N 2.93Å; S612-G615 PolarHBondContact O-N 3.09Å |
| 613 | A | 75.9 | Confident | 78 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71 | -29.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | T610 D611 G615 F1032 | T610-A613 PolarHBondContact O-N 3.47Å; T610-A613 VanDerWaalsContact O-N 3.09Å; D611-A613 VanDerWaalsContact C-N 3.35Å; D611-A613 PolarHBondContact O-N 3.09Å; A613-G615 VanDerWaalsContact C-N 3.32Å; A613-F1032 HydrophobicContact CB-CE1 4.32Å; A613-F1032 HydrophobicContact CB-CE2 4.13Å; A613-F1032 HydrophobicContact CB-CZ 3.78Å |
| 614 | V | 80.8 | Confident | 77.9 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 52% | 0.515 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | T610 D611 V617 N618 | T610-V614 PolarHBondContact O-N 2.98Å; D611-V614 PolarHBondContact O-N 3.2Å; V614-V617 PolarHBondContact O-N 3.25Å; V614-N618 PolarHBondContact O-N 3.14Å |
| 615 | G | 79.4 | Confident | 77.8 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D611 S612 A613 V617 N618 G619 | D611-G615 PolarHBondContact O-N 3.07Å; S612-G615 PolarHBondContact O-N 3.09Å; A613-G615 VanDerWaalsContact C-N 3.32Å; G615-V617 VanDerWaalsContact C-N 3.3Å; G615-V617 PolarHBondContact O-N 2.68Å; G615-N618 PolarHBondContact O-N 3Å; G615-G619 PolarHBondContact O-N 3.25Å |
| 616 | D | 78 | Confident | 77.6 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64 | -33 | -179.1 | -69.4 | -31.9 | 0 | 0 | 0 | 112.1 | G619 L620 P1027 | D616-G619 PolarHBondContact O-N 3.27Å; D616-L620 PolarHBondContact O-N 2.82Å; D616-P1027 HydrophobicContact CB-CB 4.13Å; D616-P1027 HydrophobicContact CB-CG 4.44Å |
| 617 | V | 76.8 | Confident | 77.5 | Confident | 85 Ų | 85 | 79 Ų | 79 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | V614 G615 L620 H621 | V614-V617 PolarHBondContact O-N 3.25Å; G615-V617 VanDerWaalsContact C-N 3.3Å; G615-V617 PolarHBondContact O-N 2.68Å; V617-L620 WeakPolarHBondContact O-CB 3.4Å; V617-L620 PolarHBondContact O-N 3.2Å; V617-H621 PolarHBondContact O-ND1 3.29Å |
| 618 | N | 79 | Confident | 77.4 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 175.9 | -79.2 | -22.2 | 0 | 0 | 0 | 112 | V614 G615 L620 H621 Q622 | V614-N618 PolarHBondContact O-N 3.14Å; G615-N618 PolarHBondContact O-N 3Å; N618-L620 VanDerWaalsContact C-N 3.26Å; N618-L620 PolarHBondContact O-N 3.47Å; N618-H621 PolarHBondContact O-N 3.08Å; N618-Q622 PolarHBondContact O-N 3.29Å |
| 619 | G | 76.6 | Confident | 77.4 | Confident | 16 Ų | 16 | 78.8 Ų | 78.8 | 17% | 0.165 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.8 | -34.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G615 D616 Q622 | G615-G619 PolarHBondContact O-N 3.25Å; D616-G619 PolarHBondContact O-N 3.27Å; G619-Q622 PolarHBondContact O-N 2.94Å |
| 620 | L | 75 | Confident | 77.4 | Confident | 106 Ų | 106 | 79.2 Ų | 79.2 | 56% | 0.555 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 177.6 | -142.7 | 86.3 | 0 | 0 | 0 | 112.7 | D616 V617 N618 Q622 K623 | D616-L620 PolarHBondContact O-N 2.82Å; V617-L620 WeakPolarHBondContact O-CB 3.4Å; V617-L620 PolarHBondContact O-N 3.2Å; N618-L620 VanDerWaalsContact C-N 3.26Å; N618-L620 PolarHBondContact O-N 3.47Å; L620-Q622 VanDerWaalsContact C-N 3.33Å; L620-Q622 PolarHBondContact O-N 3.35Å; L620-K623 WeakPolarHBondContact O-CB 3.46Å; L620-K623 PolarHBondContact O-N 2.88Å |
| 621 | H | 77.4 | Confident | 77.4 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 179.4 | -74.2 | 81.7 | 0 | 0 | 0 | 112.3 | V617 N618 K623 L624 | V617-H621 PolarHBondContact O-ND1 3.29Å; N618-H621 PolarHBondContact O-N 3.08Å; H621-K623 PolarHBondContact O-N 2.86Å; H621-L624 PolarHBondContact O-N 3.35Å; H621-L624 VanDerWaalsContact O-N 3.16Å |
| 622 | Q | 77.8 | Confident | 77.4 | Confident | 121 Ų | 121 | 80.3 Ų | 80.3 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.9 | -18.6 | 177.2 | -66.1 | -179.7 | -7.4 | 0 | 0 | 113.7 | N618 G619 L620 R626 | N618-Q622 PolarHBondContact O-N 3.29Å; G619-Q622 PolarHBondContact O-N 2.94Å; L620-Q622 VanDerWaalsContact C-N 3.33Å; L620-Q622 PolarHBondContact O-N 3.35Å; Q622-R626 PolarHBondContact O-NE 3.02Å |
| 623 | K | 74.4 | Confident | 77.3 | Confident | 81 Ų | 81 | 81.4 Ų | 81.4 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.7 | -36.6 | 174.1 | -176.5 | -178.2 | 173.3 | -177 | 0 | 112.3 | L620 H621 | L620-K623 WeakPolarHBondContact O-CB 3.46Å; L620-K623 PolarHBondContact O-N 2.88Å; H621-K623 PolarHBondContact O-N 2.86Å |
| 624 | L | 74 | Confident | 77.3 | Confident | 123 Ų | 123 | 80.3 Ų | 80.3 | 64% | 0.644 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.6 | -42.2 | -177.8 | -84.8 | 163.4 | 0 | 0 | 0 | 112.1 | H621 R626 L627 | H621-L624 PolarHBondContact O-N 3.35Å; H621-L624 VanDerWaalsContact O-N 3.16Å; L624-R626 VanDerWaalsContact C-N 3.34Å; L624-R626 PolarHBondContact O-N 3.34Å; L624-L627 PolarHBondContact O-N 3.47Å |
| 625 | V | 79.5 | Confident | 77 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -54.8 | -50.1 | 179 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | L627 S628 | V625-L627 PolarHBondContact O-N 3.44Å; V625-L627 VanDerWaalsContact O-N 3.15Å; V625-S628 VanDerWaalsContact O-CB 3.25Å; V625-S628 WeakPolarHBondContact O-CB 3.48Å; V625-S628 PolarHBondContact O-N 2.85Å |
| 626 | R | 75.1 | Confident | 76.8 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 23% | 0.234 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.5 | -16 | -175.2 | -67.8 | 176.7 | -74.1 | 144.2 | -37.7 | 114.9 | Q622 L624 T1023 E1025 | Q622-R626 PolarHBondContact O-NE 3.02Å; L624-R626 VanDerWaalsContact C-N 3.34Å; L624-R626 PolarHBondContact O-N 3.34Å; R626-T1023 VanDerWaalsContact NH1-CG2 3.27Å; R626-T1023 PolarHBondContact NH1-OG1 3.13Å; R626-E1025 IonicContact CZ-OE2 3.13Å; R626-E1025 IonicContact NH1-OE2 3.37Å; R626-E1025 PolarHBondContact NH1-OE2 3.16Å; R626-E1025 IonicContact NH2-OE2 2.68Å; R626-E1025 PolarHBondContact NH2-OE2 3.22Å |
| 627 | L | 75.5 | Confident | 76.4 | Confident | 77 Ų | 77 | 87.7 Ų | 87.7 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -77.3 | -28.7 | 170 | -88.4 | 154.2 | 0 | 0 | 0 | 111.9 | L624 V625 Y1020 | L624-L627 PolarHBondContact O-N 3.47Å; V625-L627 PolarHBondContact O-N 3.44Å; V625-L627 VanDerWaalsContact O-N 3.15Å; L627-Y1020 HydrophobicContact CD2-CD2 3.59Å; L627-Y1020 HydrophobicContact CD2-CE2 3.93Å; L627-Y1020 HydrophobicContact CD2-CG 3.97Å; L627-Y1020 HydrophobicContact CG-CD2 3.96Å; L627-Y1020 HydrophobicContact CG-CE2 3.78Å |
| 628 | S | 77.9 | Confident | 76 | Confident | 86 Ų | 86 | 88.5 Ų | 88.5 | 60% | 0.601 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -73 | -33.1 | 177.8 | -165.9 | 0 | 0 | 0 | 0 | 112.9 | V625 | V625-S628 VanDerWaalsContact O-CB 3.25Å; V625-S628 WeakPolarHBondContact O-CB 3.48Å; V625-S628 PolarHBondContact O-N 2.85Å |
| 629 | D | 80.1 | Confident | 75.6 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.5 | -37.3 | -177.7 | -62.9 | -51.1 | 0 | 0 | 0 | 112.4 | D631 K632 E633 | D629-D631 VanDerWaalsContact C-N 3.34Å; D629-D631 PolarHBondContact O-N 3.12Å; D629-K632 WeakPolarHBondContact O-CB 3.49Å; D629-K632 PolarHBondContact O-N 3.12Å; D629-E633 PolarHBondContact O-N 3.47Å |
| 630 | L | 78 | Confident | 75.3 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 179 | -178.4 | 69.1 | 0 | 0 | 0 | 112.6 | K632 E633 N634 Y1020 | L630-K632 PolarHBondContact O-N 3Å; L630-E633 PolarHBondContact O-N 3.21Å; L630-N634 PolarHBondContact O-N 3.03Å; L630-Y1020 HydrophobicContact CD2-CD2 4.33Å |
| 631 | D | 76.5 | Confident | 74.8 | Confident | 79 Ų | 79 | 87.5 Ų | 87.5 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.4 | -21.6 | 179.5 | -174.7 | 69.8 | 0 | 0 | 0 | 112.8 | D629 R635 | D629-D631 VanDerWaalsContact C-N 3.34Å; D629-D631 PolarHBondContact O-N 3.12Å; D631-R635 VanDerWaalsContact O-CD 3.31Å; D631-R635 WeakPolarHBondContact O-CD 3.3Å; D631-R635 WeakPolarHBondContact O-CG 3.42Å; D631-R635 PolarHBondContact O-NE 3.07Å; D631-R635 IonicContact OD1-NH2 3.68Å; D631-R635 IonicContact OD2-CZ 3.3Å; D631-R635 IonicContact OD2-NE 2.72Å; D631-R635 PolarHBondContact OD2-NE 3.42Å; D631-R635 IonicContact OD2-NH2 3.2Å; D631-R635 PolarHBondContact OD2-NH2 3.29Å |
| 632 | K | 79.2 | Confident | 74.2 | Confident | 135 Ų | 135 | 88 Ų | 88 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.9 | -50.1 | 170 | -173.7 | -172.1 | 171.4 | -167.2 | 0 | 111.2 | D629 L630 N634 R635 | D629-K632 WeakPolarHBondContact O-CB 3.49Å; D629-K632 PolarHBondContact O-N 3.12Å; L630-K632 PolarHBondContact O-N 3Å; K632-N634 VanDerWaalsContact C-N 3.32Å; K632-N634 PolarHBondContact O-N 3.06Å; K632-R635 WeakPolarHBondContact O-CB 3.5Å; K632-R635 PolarHBondContact O-N 3.34Å; K632-R635 VanDerWaalsContact O-N 3.07Å |
| 633 | E | 76.4 | Confident | 73.8 | Confident | 83 Ų | 83 | 87.7 Ų | 87.7 | 39% | 0.388 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | -174.6 | -159.2 | -152.8 | -168.1 | 0 | 0 | 112.8 | D629 L630 R635 E636 R637 | D629-E633 PolarHBondContact O-N 3.47Å; L630-E633 PolarHBondContact O-N 3.21Å; E633-R635 PolarHBondContact O-N 2.84Å; E633-E636 PolarHBondContact O-N 2.99Å; E633-R637 IonicContact OE1-CZ 3.74Å; E633-R637 IonicContact OE1-NH1 2.83Å; E633-R637 IonicContact OE1-NH2 3.94Å; E633-R637 PolarHBondContact OE1-NH2 3.02Å; E633-R637 IonicContact OE2-CZ 3.6Å; E633-R637 IonicContact OE2-NH1 3.75Å; E633-R637 PolarHBondContact OE2-NH1 3.19Å; E633-R637 IonicContact OE2-NH2 2.74Å; E633-R637 PolarHBondContact OE2-NH2 3.04Å; E633-R637 VanDerWaalsContact OE2-NH2 3.13Å |
| 634 | N | 76.5 | Confident | 73.5 | Confident | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.064 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66 | -21.4 | 175.7 | -89.8 | -21.8 | 0 | 0 | 0 | 114 | L630 K632 R637 Y1017 H1018 | L630-N634 PolarHBondContact O-N 3.03Å; K632-N634 VanDerWaalsContact C-N 3.32Å; K632-N634 PolarHBondContact O-N 3.06Å; N634-R637 PolarHBondContact OD1-NH1 2.87Å; N634-Y1017 HydrophobicContact CB-CE2 4.46Å; N634-H1018 PolarHBondContact ND2-O 3.37Å; N634-H1018 PolarHBondContact OD1-N 3.47Å |
| 635 | R | 74.1 | Confident | 73.4 | Confident | 151 Ų | 151 | 85.3 Ų | 85.3 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -76.3 | -43.5 | 178.8 | -63.4 | 163.8 | -171.1 | -100.8 | 0.6 | 111.2 | D631 K632 E633 R637 L638 | D631-R635 VanDerWaalsContact O-CD 3.31Å; D631-R635 WeakPolarHBondContact O-CD 3.3Å; D631-R635 WeakPolarHBondContact O-CG 3.42Å; D631-R635 PolarHBondContact O-NE 3.07Å; D631-R635 IonicContact OD1-NH2 3.68Å; D631-R635 IonicContact OD2-CZ 3.3Å; D631-R635 IonicContact OD2-NE 2.72Å; D631-R635 PolarHBondContact OD2-NE 3.42Å; D631-R635 IonicContact OD2-NH2 3.2Å; D631-R635 PolarHBondContact OD2-NH2 3.29Å; K632-R635 WeakPolarHBondContact O-CB 3.5Å; K632-R635 PolarHBondContact O-N 3.34Å; K632-R635 VanDerWaalsContact O-N 3.07Å; E633-R635 PolarHBondContact O-N 2.84Å; R635-R637 PolarHBondContact O-N 2.82Å; R635-R637 VanDerWaalsContact O-N 3.16Å; R635-L638 WeakPolarHBondContact O-CB 3.5Å; R635-L638 PolarHBondContact O-N 3.39Å |
| 636 | E | 74.3 | Confident | 72.7 | Confident | 115 Ų | 115 | 84.3 Ų | 84.3 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.4 | -27.3 | 179.5 | -61.7 | 175.7 | -174 | 0 | 0 | 112.5 | E633 | E633-E636 PolarHBondContact O-N 2.99Å |
| 637 | R | 69.8 | Low | 72.4 | Confident | 62 Ų | 62 | 84.9 Ų | 84.9 | 23% | 0.234 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.1 | -31.5 | 176.3 | -67.4 | -176.8 | 172.6 | 97 | 12.2 | 113.5 | E633 N634 R635 T640 R1016 H1018 | E633-R637 IonicContact OE1-CZ 3.74Å; E633-R637 IonicContact OE1-NH1 2.83Å; E633-R637 IonicContact OE1-NH2 3.94Å; E633-R637 PolarHBondContact OE1-NH2 3.02Å; E633-R637 IonicContact OE2-CZ 3.6Å; E633-R637 IonicContact OE2-NH1 3.75Å; E633-R637 PolarHBondContact OE2-NH1 3.19Å; E633-R637 IonicContact OE2-NH2 2.74Å; E633-R637 PolarHBondContact OE2-NH2 3.04Å; E633-R637 VanDerWaalsContact OE2-NH2 3.13Å; N634-R637 PolarHBondContact OD1-NH1 2.87Å; R635-R637 PolarHBondContact O-N 2.82Å; R635-R637 VanDerWaalsContact O-N 3.16Å; R637-T640 PolarHBondContact O-OG1 3.28Å; R637-R1016 WeakPolarHBondContact CD-O 3.43Å; R637-H1018 PolarHBondContact NH2-CD2 2.72Å |
| 638 | L | 68.2 | Low | 72.2 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 53% | 0.529 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | -177.8 | -85.1 | 153.9 | 0 | 0 | 0 | 112.5 | R635 T640 L641 | R635-L638 WeakPolarHBondContact O-CB 3.5Å; R635-L638 PolarHBondContact O-N 3.39Å; L638-T640 PolarHBondContact O-N 3.39Å; L638-T640 VanDerWaalsContact O-N 3.12Å; L638-L641 WeakPolarHBondContact O-CB 3.48Å; L638-L641 PolarHBondContact O-N 3.01Å |
| 639 | D | 72.1 | Confident | 71.8 | Confident | 103 Ų | 103 | 90.9 Ų | 90.9 | 55% | 0.551 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.9 | -28.8 | -179 | -68.5 | -28.8 | 0 | 0 | 0 | 113 | L641 H642 N643 | D639-L641 VanDerWaalsContact C-N 3.26Å; D639-L641 PolarHBondContact O-N 3.24Å; D639-H642 PolarHBondContact O-N 2.91Å; D639-N643 PolarHBondContact O-N 3.38Å; D639-N643 PolarHBondContact O-ND2 3.18Å; D639-N643 VanDerWaalsContact O-ND2 3.08Å |
| 640 | T | 69.8 | Low | 71.1 | Confident | 74 Ų | 74 | 89 Ų | 89 | 45% | 0.454 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.9 | -22.5 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | R637 L638 R1016 | R637-T640 PolarHBondContact O-OG1 3.28Å; L638-T640 PolarHBondContact O-N 3.39Å; L638-T640 VanDerWaalsContact O-N 3.12Å; T640-R1016 PolarHBondContact OG1-NH1 3.21Å |
| 641 | L | 65 | Low | 70.8 | Confident | 26 Ų | 26 | 91.8 Ų | 91.8 | 14% | 0.136 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -80 | -39.4 | 179 | -170.2 | 150 | 0 | 0 | 0 | 111 | L638 D639 M1009 I1012 L1013 | L638-L641 WeakPolarHBondContact O-CB 3.48Å; L638-L641 PolarHBondContact O-N 3.01Å; D639-L641 VanDerWaalsContact C-N 3.26Å; D639-L641 PolarHBondContact O-N 3.24Å; L641-M1009 HydrophobicContact CD2-CE 4.08Å; L641-I1012 HydrophobicContact CD1-CB 4.1Å; L641-I1012 HydrophobicContact CD1-CG2 3.65Å; L641-I1012 HydrophobicContact CG-CG2 4.49Å; L641-L1013 HydrophobicContact CD1-CD2 4.08Å |
| 642 | H | 64 | Low | 70.2 | Confident | 127 Ų | 127 | 92.1 Ų | 92.1 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.1 | -44.8 | 178.1 | -178.3 | -90.7 | 0 | 0 | 0 | 112.6 | D639 | D639-H642 PolarHBondContact O-N 2.91Å |
| 643 | N | 68.5 | Low | 69.6 | Low | 114 Ų | 114 | 86.2 Ų | 86.2 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -1.8 | -162.9 | -66.6 | -34.8 | 0 | 0 | 0 | 116.2 | D639 | D639-N643 PolarHBondContact O-N 3.38Å; D639-N643 PolarHBondContact O-ND2 3.18Å; D639-N643 VanDerWaalsContact O-ND2 3.08Å |
| 644 | S | 68.5 | Low | 68.9 | Low | 89 Ų | 89 | 84.4 Ų | 84.4 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.2 | -44.8 | -169.5 | 173.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 645 | W | 71.8 | Confident | 68.6 | Low | 64 Ų | 64 | 92.2 Ų | 92.2 | 24% | 0.242 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -37.5 | -172.9 | 173.7 | 75.1 | 0 | 0 | 0 | 112.8 | P647 I1005 E1008 M1009 I1012 | W645-P647 VanDerWaalsContact C-CD 3.46Å; W645-I1005 HydrophobicContact CH2-CG2 4.13Å; W645-I1005 HydrophobicContact CZ3-CG2 4.49Å; W645-E1008 HydrophobicContact CH2-CB 3.78Å; W645-E1008 HydrophobicContact CZ2-CB 3.53Å; W645-M1009 HydrophobicContact CH2-CB 4.34Å; W645-M1009 HydrophobicContact CZ3-CB 4.16Å; W645-I1012 HydrophobicContact CD2-CD1 3.9Å; W645-I1012 HydrophobicContact CE3-CD1 4.27Å; W645-I1012 HydrophobicContact CG-CD1 4.19Å |
| 646 | L | 65.6 | Low | 68.3 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 37% | 0.372 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.4 | -37.9 | -174.4 | -166.6 | 65.5 | 0 | 0 | 0 | 115.2 | E648 L650 | L646-E648 PolarHBondContact O-N 2.98Å; L646-L650 HydrophobicContact CG-CD1 4.18Å |
| 647 | P | 67.9 | Low | 67.9 | Low | 74 Ų | 74 | 86.6 Ų | 86.6 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | -175.5 | -25.7 | 36.5 | 0 | 0 | 0 | 115.6 | W645 R649 L650 | W645-P647 VanDerWaalsContact C-CD 3.46Å; P647-R649 VanDerWaalsContact C-N 3.31Å; P647-R649 PolarHBondContact O-N 3.28Å; P647-L650 PolarHBondContact O-N 3.05Å |
| 648 | E | 71 | Confident | 68 | Low | 159 Ų | 159 | 90.1 Ų | 90.1 | 74% | 0.743 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.4 | -36.7 | -172.5 | -70.5 | -165 | 132.3 | 0 | 0 | 112.9 | L646 L650 | L646-E648 PolarHBondContact O-N 2.98Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-L650 PolarHBondContact O-N 2.86Å |
| 649 | R | 71.3 | Confident | 68.1 | Low | 130 Ų | 130 | 90.1 Ų | 90.1 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.4 | -19.2 | -179.2 | -75.8 | -69.4 | -171.9 | -127.9 | 8.7 | 114.2 | P647 I1005 E1008 | P647-R649 VanDerWaalsContact C-N 3.31Å; P647-R649 PolarHBondContact O-N 3.28Å; R649-I1005 HydrophobicContact CB-CD1 4.06Å; R649-I1005 HydrophobicContact CB-CG1 4.39Å; R649-E1008 IonicContact CZ-OE1 3.62Å; R649-E1008 IonicContact CZ-OE2 3.5Å; R649-E1008 IonicContact NE-OE1 3.68Å; R649-E1008 IonicContact NE-OE2 2.8Å; R649-E1008 PolarHBondContact NE-OE2 3.29Å; R649-E1008 IonicContact NH2-OE1 2.72Å; R649-E1008 PolarHBondContact NH2-OE1 3.34Å; R649-E1008 IonicContact NH2-OE2 3.33Å; R649-E1008 PolarHBondContact NH2-OE2 3.03Å |
| 650 | L | 65.3 | Low | 68 | Low | 58 Ų | 58 | 85.6 Ų | 85.6 | 30% | 0.304 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.6 | -170.3 | -67.2 | 170.6 | 0 | 0 | 0 | 114.4 | L646 P647 E648 V653 A654 L1002 I1005 | L646-L650 HydrophobicContact CG-CD1 4.18Å; P647-L650 PolarHBondContact O-N 3.05Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-L650 PolarHBondContact O-N 2.86Å; L650-V653 CarbonylContact O-C 3.57Å; L650-V653 WeakPolarHBondContact O-CB 3.2Å; L650-V653 PolarHBondContact O-N 2.84Å; L650-A654 PolarHBondContact O-N 3.3Å; L650-L1002 HydrophobicContact CD2-CD2 4.07Å; L650-I1005 HydrophobicContact CD2-CD1 4.38Å |
| 651 | T | 70.6 | Confident | 67.9 | Low | 100 Ų | 100 | 84.4 Ų | 84.4 | 61% | 0.613 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -37.2 | -170 | -46.4 | 0 | 0 | 0 | 0 | 115.9 | A654 | T651-A654 VanDerWaalsContact O-CB 3.29Å; T651-A654 WeakPolarHBondContact O-CB 3.35Å; T651-A654 PolarHBondContact O-N 3.33Å |
| 652 | P | 63.5 | Low | 68.5 | Low | 86 Ų | 86 | 87.2 Ų | 87.2 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -43.2 | 174.1 | -19.3 | 33.5 | 0 | 0 | 0 | 111.6 | A654 R655 | P652-A654 PolarHBondContact O-N 3.06Å; P652-R655 PolarHBondContact O-N 3.42Å; P652-R655 VanDerWaalsContact O-N 3.11Å |
| 653 | V | 66.3 | Low | 68.8 | Low | 12 Ų | 12 | 85.8 Ų | 85.8 | 7% | 0.073 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58 | -32.3 | 174.2 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | L650 R655 D656 L657 I998 N1001 | L650-V653 CarbonylContact O-C 3.57Å; L650-V653 WeakPolarHBondContact O-CB 3.2Å; L650-V653 PolarHBondContact O-N 2.84Å; V653-R655 PolarHBondContact O-N 3.47Å; V653-R655 VanDerWaalsContact O-N 3.17Å; V653-D656 PolarHBondContact O-N 3.12Å; V653-L657 HydrophobicContact CG1-CD1 3.9Å; V653-L657 HydrophobicContact CG1-CG 4.24Å; V653-L657 VanDerWaalsContact O-CB 3.28Å; V653-L657 WeakPolarHBondContact O-CB 3.43Å; V653-L657 WeakPolarHBondContact O-CG 3.38Å; V653-L657 PolarHBondContact O-N 3.3Å; V653-I998 HydrophobicContact CG1-CG2 3.7Å; V653-N1001 HydrophobicContact CG2-CB 4.26Å |
| 654 | A | 62.9 | Low | 68.9 | Low | 45 Ų | 45 | 82.6 Ų | 82.6 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.3 | -22.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L650 T651 P652 Q658 | L650-A654 PolarHBondContact O-N 3.3Å; T651-A654 VanDerWaalsContact O-CB 3.29Å; T651-A654 WeakPolarHBondContact O-CB 3.35Å; T651-A654 PolarHBondContact O-N 3.33Å; P652-A654 PolarHBondContact O-N 3.06Å; A654-Q658 WeakPolarHBondContact O-CB 3.45Å; A654-Q658 PolarHBondContact O-N 3.4Å; A654-Q658 VanDerWaalsContact O-N 3.15Å |
| 655 | R | 70.2 | Confident | 69.3 | Low | 175 Ų | 175 | 84.9 Ų | 84.9 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -79.5 | -44 | 178 | -163.9 | -172.2 | -59.6 | 109.3 | -0.4 | 112.5 | P652 V653 L657 Q658 | P652-R655 PolarHBondContact O-N 3.42Å; P652-R655 VanDerWaalsContact O-N 3.11Å; V653-R655 PolarHBondContact O-N 3.47Å; V653-R655 VanDerWaalsContact O-N 3.17Å; R655-L657 VanDerWaalsContact C-N 3.32Å; R655-Q658 WeakPolarHBondContact O-CA 3.32Å; R655-Q658 VanDerWaalsContact O-CB 3.28Å; R655-Q658 WeakPolarHBondContact O-CB 3.21Å; R655-Q658 PolarHBondContact O-N 3.43Å |
| 656 | D | 68 | Low | 69.6 | Low | 80 Ų | 80 | 86.6 Ų | 86.6 | 43% | 0.428 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 176.4 | -55.5 | -30.5 | 0 | 0 | 0 | 109.8 | V653 Q658 T659 L660 I998 | V653-D656 PolarHBondContact O-N 3.12Å; D656-Q658 PolarHBondContact O-N 2.98Å; D656-T659 PolarHBondContact O-N 3.05Å; D656-L660 PolarHBondContact O-N 3.36Å; D656-I998 HydrophobicContact CB-CD1 4.4Å; D656-I998 HydrophobicContact CB-CG1 4.17Å |
| 657 | L | 64.5 | Low | 70.1 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 36% | 0.356 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.5 | -24 | 162.4 | -87.2 | 170.9 | 0 | 0 | 0 | 113.4 | V653 R655 L660 A661 I998 | V653-L657 HydrophobicContact CG1-CD1 3.9Å; V653-L657 HydrophobicContact CG1-CG 4.24Å; V653-L657 VanDerWaalsContact O-CB 3.28Å; V653-L657 WeakPolarHBondContact O-CB 3.43Å; V653-L657 WeakPolarHBondContact O-CG 3.38Å; V653-L657 PolarHBondContact O-N 3.3Å; R655-L657 VanDerWaalsContact C-N 3.32Å; L657-L660 HydrophobicContact CD2-CD2 4.4Å; L657-A661 WeakPolarHBondContact O-CA 3.17Å; L657-A661 WeakPolarHBondContact O-CB 3.33Å; L657-A661 PolarHBondContact O-N 3.47Å; L657-I998 HydrophobicContact CG-CD1 4.49Å |
| 658 | Q | 72.8 | Confident | 70.4 | Confident | 136 Ų | 136 | 84.9 Ų | 84.9 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -80.5 | -32 | -177.5 | -166.4 | 161.4 | 5.9 | 0 | 0 | 112.8 | A654 R655 D656 T662 | A654-Q658 WeakPolarHBondContact O-CB 3.45Å; A654-Q658 PolarHBondContact O-N 3.4Å; A654-Q658 VanDerWaalsContact O-N 3.15Å; R655-Q658 WeakPolarHBondContact O-CA 3.32Å; R655-Q658 VanDerWaalsContact O-CB 3.28Å; R655-Q658 WeakPolarHBondContact O-CB 3.21Å; R655-Q658 PolarHBondContact O-N 3.43Å; D656-Q658 PolarHBondContact O-N 2.98Å; Q658-T662 PolarHBondContact O-N 3.49Å; Q658-T662 PolarHBondContact O-OG1 3.08Å |
| 659 | T | 70.6 | Confident | 70.8 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.6 | -47.9 | 168.7 | -57 | 0 | 0 | 0 | 0 | 110 | D656 A661 T662 | D656-T659 PolarHBondContact O-N 3.05Å; T659-A661 VanDerWaalsContact C-N 3.3Å; T659-A661 PolarHBondContact O-N 3.3Å; T659-T662 WeakPolarHBondContact O-CB 3.48Å; T659-T662 PolarHBondContact O-N 3Å |
| 660 | L | 69.6 | Low | 71.2 | Confident | 7 Ų | 7 | 78.7 Ų | 78.7 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 173.3 | -179.9 | 57.2 | 0 | 0 | 0 | 111.7 | D656 L657 T662 Q663 V664 F991 F995 I998 | D656-L660 PolarHBondContact O-N 3.36Å; L657-L660 HydrophobicContact CD2-CD2 4.4Å; L660-T662 PolarHBondContact O-N 3.03Å; L660-T662 VanDerWaalsContact O-N 3.16Å; L660-Q663 PolarHBondContact O-N 2.97Å; L660-Q663 VanDerWaalsContact O-N 3.16Å; L660-V664 HydrophobicContact CD1-CG2 3.99Å; L660-V664 HydrophobicContact CG-CG2 4.09Å; L660-V664 WeakPolarHBondContact O-CB 3.24Å; L660-V664 VanDerWaalsContact O-CG2 3.31Å; L660-V664 WeakPolarHBondContact O-CG2 3.5Å; L660-V664 PolarHBondContact O-N 3.3Å; L660-F991 HydrophobicContact CD1-CD1 3.67Å; L660-F991 HydrophobicContact CD1-CE1 4.19Å; L660-F995 HydrophobicContact CD2-CD2 4.35Å; L660-F995 HydrophobicContact CD2-CE2 4.18Å; L660-F995 HydrophobicContact CD2-CZ 4.28Å; L660-I998 HydrophobicContact CB-CD1 4.49Å; L660-I998 HydrophobicContact CD2-CD1 3.68Å |
| 661 | A | 68.3 | Low | 71.6 | Confident | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -20.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L657 T659 K665 | L657-A661 WeakPolarHBondContact O-CA 3.17Å; L657-A661 WeakPolarHBondContact O-CB 3.33Å; L657-A661 PolarHBondContact O-N 3.47Å; T659-A661 VanDerWaalsContact C-N 3.3Å; T659-A661 PolarHBondContact O-N 3.3Å; A661-K665 WeakPolarHBondContact O-CB 3.38Å; A661-K665 PolarHBondContact O-N 3.39Å |
| 662 | T | 76.8 | Confident | 71.9 | Confident | 84 Ų | 84 | 79.4 Ų | 79.4 | 52% | 0.515 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75.3 | -46 | 174.3 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | Q658 T659 L660 K665 D666 | Q658-T662 PolarHBondContact O-N 3.49Å; Q658-T662 PolarHBondContact O-OG1 3.08Å; T659-T662 WeakPolarHBondContact O-CB 3.48Å; T659-T662 PolarHBondContact O-N 3Å; L660-T662 PolarHBondContact O-N 3.03Å; L660-T662 VanDerWaalsContact O-N 3.16Å; T662-K665 WeakPolarHBondContact O-CB 3.45Å; T662-K665 PolarHBondContact O-N 3.36Å; T662-D666 PolarHBondContact O-N 3.5Å |
| 663 | Q | 71.6 | Confident | 72.5 | Confident | 97 Ų | 97 | 80.1 Ų | 80.1 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.2 | -65.2 | 170.1 | -50.5 | 0 | 0 | 112.1 | L660 D666 F667 F991 | L660-Q663 PolarHBondContact O-N 2.97Å; L660-Q663 VanDerWaalsContact O-N 3.16Å; Q663-D666 PolarHBondContact O-N 3.18Å; Q663-F667 PolarHBondContact O-N 3.43Å; Q663-F991 HydrophobicContact CB-CE1 4.03Å |
| 664 | V | 70.2 | Confident | 73 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 29% | 0.285 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 173.6 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | L660 D666 F667 C668 F991 | L660-V664 HydrophobicContact CD1-CG2 3.99Å; L660-V664 HydrophobicContact CG-CG2 4.09Å; L660-V664 WeakPolarHBondContact O-CB 3.24Å; L660-V664 VanDerWaalsContact O-CG2 3.31Å; L660-V664 WeakPolarHBondContact O-CG2 3.5Å; L660-V664 PolarHBondContact O-N 3.3Å; V664-D666 PolarHBondContact O-N 2.96Å; V664-F667 CarbonylContact O-C 3.59Å; V664-F667 PolarHBondContact O-N 3.4Å; V664-C668 WeakPolarHBondContact O-CB 3.36Å; V664-C668 PolarHBondContact O-N 2.83Å; V664-C668 PolarHBondContact O-SG 3.44Å; V664-F991 HydrophobicContact CG2-CD1 4.11Å; V664-F991 HydrophobicContact CG2-CE1 3.58Å; V664-F991 HydrophobicContact CG2-CZ 3.84Å |
| 665 | K | 77.1 | Confident | 73.4 | Confident | 137 Ų | 137 | 81.7 Ų | 81.7 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 176.1 | 176.9 | -173.9 | 175.9 | -166.9 | 0 | 112 | A661 T662 F667 C668 V669 | A661-K665 WeakPolarHBondContact O-CB 3.38Å; A661-K665 PolarHBondContact O-N 3.39Å; T662-K665 WeakPolarHBondContact O-CB 3.45Å; T662-K665 PolarHBondContact O-N 3.36Å; K665-F667 VanDerWaalsContact C-N 3.29Å; K665-F667 PolarHBondContact O-N 3.45Å; K665-C668 WeakPolarHBondContact O-CB 3.3Å; K665-C668 PolarHBondContact O-N 3.27Å; K665-C668 VanDerWaalsContact O-N 3.13Å; K665-V669 PolarHBondContact O-N 3.22Å |
| 666 | D | 76.3 | Confident | 73.8 | Confident | 100 Ų | 100 | 76.6 Ų | 76.6 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.8 | -33.8 | 179.5 | -67.8 | -12 | 0 | 0 | 0 | 111.6 | T662 Q663 V664 F670 | T662-D666 PolarHBondContact O-N 3.5Å; Q663-D666 PolarHBondContact O-N 3.18Å; V664-D666 PolarHBondContact O-N 2.96Å; D666-F670 PolarHBondContact O-N 2.99Å |
| 667 | F | 78.1 | Confident | 74.2 | Confident | 41 Ų | 41 | 76 Ų | 76 | 18% | 0.18 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 169.1 | -177.9 | -116 | 0 | 0 | 0 | 112.3 | Q663 V664 K665 V669 F670 V671 F991 | Q663-F667 PolarHBondContact O-N 3.43Å; V664-F667 CarbonylContact O-C 3.59Å; V664-F667 PolarHBondContact O-N 3.4Å; K665-F667 VanDerWaalsContact C-N 3.29Å; K665-F667 PolarHBondContact O-N 3.45Å; F667-V669 VanDerWaalsContact C-N 3.29Å; F667-V669 PolarHBondContact O-N 3.47Å; F667-F670 HydrophobicContact CD2-CD1 4.34Å; F667-F670 HydrophobicContact CE2-CD1 4.27Å; F667-F670 WeakPolarHBondContact O-CB 3.37Å; F667-F670 PolarHBondContact O-N 3.36Å; F667-V671 HydrophobicContact CD1-CG2 4.22Å; F667-V671 HydrophobicContact CD2-CG2 4.41Å; F667-V671 HydrophobicContact CE1-CG2 3.87Å; F667-V671 HydrophobicContact CE2-CG2 4.09Å; F667-V671 HydrophobicContact CG-CG2 4.48Å; F667-V671 HydrophobicContact CZ-CG2 3.81Å; F667-V671 WeakPolarHBondContact O-CG2 3.46Å; F667-V671 PolarHBondContact O-N 2.88Å; F667-F991 HydrophobicContact CB-CE2 4.42Å; F667-F991 HydrophobicContact CB-CZ 4.03Å; F667-F991 AromaticContact CD1-CE2 3.97Å; F667-F991 HydrophobicContact CD1-CE2 3.97Å; F667-F991 HydrophobicContact CD1-CZ 4.36Å; F667-F991 HydrophobicContact CE1-CE2 4.45Å; F667-F991 HydrophobicContact CG-CE2 4.18Å; F667-F991 HydrophobicContact CG-CZ 4.29Å |
| 668 | C | 73.6 | Confident | 74.7 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 46% | 0.459 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 176 | -74.4 | 0 | 0 | 0 | 0 | 112.7 | V664 K665 Q672 | V664-C668 WeakPolarHBondContact O-CB 3.36Å; V664-C668 PolarHBondContact O-N 2.83Å; V664-C668 PolarHBondContact O-SG 3.44Å; K665-C668 WeakPolarHBondContact O-CB 3.3Å; K665-C668 PolarHBondContact O-N 3.27Å; K665-C668 VanDerWaalsContact O-N 3.13Å; C668-Q672 WeakPolarHBondContact O-CB 3.36Å; C668-Q672 PolarHBondContact O-N 3.19Å |
| 669 | V | 79.5 | Confident | 74.9 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 41% | 0.406 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 172.6 | 174 | 0 | 0 | 0 | 0 | 110.7 | K665 F667 V671 Q672 D673 | K665-V669 PolarHBondContact O-N 3.22Å; F667-V669 VanDerWaalsContact C-N 3.29Å; F667-V669 PolarHBondContact O-N 3.47Å; V669-V671 VanDerWaalsContact C-N 3.33Å; V669-V671 PolarHBondContact O-N 2.98Å; V669-Q672 WeakPolarHBondContact O-CB 3.47Å; V669-Q672 PolarHBondContact O-N 3.41Å; V669-Q672 VanDerWaalsContact O-N 3.13Å; V669-D673 PolarHBondContact O-N 2.72Å |
| 670 | F | 79 | Confident | 75.2 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 175.1 | 166.6 | -97.9 | 0 | 0 | 0 | 112.6 | D666 F667 S674 L980 A983 | D666-F670 PolarHBondContact O-N 2.99Å; F667-F670 HydrophobicContact CD2-CD1 4.34Å; F667-F670 HydrophobicContact CE2-CD1 4.27Å; F667-F670 WeakPolarHBondContact O-CB 3.37Å; F667-F670 PolarHBondContact O-N 3.36Å; F670-S674 WeakPolarHBondContact O-CB 3.46Å; F670-S674 PolarHBondContact O-N 2.98Å; F670-S674 VanDerWaalsContact O-N 3.15Å; F670-S674 PolarHBondContact O-OG 3.24Å; F670-L980 HydrophobicContact CE1-CD2 4.43Å; F670-A983 HydrophobicContact CE1-CB 3.57Å; F670-A983 HydrophobicContact CZ-CB 3.76Å |
| 671 | V | 73.1 | Confident | 75.5 | Confident | 45 Ų | 45 | 78.7 Ų | 78.7 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 174.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F667 V669 T675 L980 | F667-V671 HydrophobicContact CD1-CG2 4.22Å; F667-V671 HydrophobicContact CD2-CG2 4.41Å; F667-V671 HydrophobicContact CE1-CG2 3.87Å; F667-V671 HydrophobicContact CE2-CG2 4.09Å; F667-V671 HydrophobicContact CG-CG2 4.48Å; F667-V671 HydrophobicContact CZ-CG2 3.81Å; F667-V671 WeakPolarHBondContact O-CG2 3.46Å; F667-V671 PolarHBondContact O-N 2.88Å; V669-V671 VanDerWaalsContact C-N 3.33Å; V669-V671 PolarHBondContact O-N 2.98Å; V671-T675 HydrophobicContact CG1-CG2 4.15Å; V671-T675 VanDerWaalsContact O-CB 3.32Å; V671-T675 WeakPolarHBondContact O-CB 3.26Å; V671-T675 VanDerWaalsContact O-CG2 3.3Å; V671-T675 WeakPolarHBondContact O-CG2 3.44Å; V671-T675 PolarHBondContact O-N 3.25Å; V671-T675 PolarHBondContact O-OG1 2.94Å; V671-L980 HydrophobicContact CG2-CD2 4.42Å |
| 672 | Q | 77.7 | Confident | 75.9 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 60% | 0.598 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.7 | -48.5 | 177.5 | -179.3 | -175.9 | -51.7 | 0 | 0 | 111.7 | C668 V669 T675 S676 | C668-Q672 WeakPolarHBondContact O-CB 3.36Å; C668-Q672 PolarHBondContact O-N 3.19Å; V669-Q672 WeakPolarHBondContact O-CB 3.47Å; V669-Q672 PolarHBondContact O-N 3.41Å; V669-Q672 VanDerWaalsContact O-N 3.13Å; Q672-T675 WeakPolarHBondContact CA-OG1 3.48Å; Q672-T675 PolarHBondContact O-N 3.09Å; Q672-T675 PolarHBondContact O-OG1 2.76Å; Q672-S676 WeakPolarHBondContact O-CB 3.45Å; Q672-S676 PolarHBondContact O-N 2.68Å |
| 673 | D | 76.7 | Confident | 75.8 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 179.2 | -69 | -20.2 | 0 | 0 | 0 | 110.8 | V669 T675 S676 D677 | V669-D673 PolarHBondContact O-N 2.72Å; D673-T675 PolarHBondContact O-N 2.89Å; D673-S676 WeakPolarHBondContact O-CB 3.26Å; D673-S676 PolarHBondContact O-N 3.43Å; D673-S676 VanDerWaalsContact O-N 3.12Å; D673-D677 PolarHBondContact O-N 2.92Å |
| 674 | S | 75.8 | Confident | 76 | Confident | 27 Ų | 27 | 80.2 Ų | 80.2 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 113 | F670 S676 L678 | F670-S674 WeakPolarHBondContact O-CB 3.46Å; F670-S674 PolarHBondContact O-N 2.98Å; F670-S674 VanDerWaalsContact O-N 3.15Å; F670-S674 PolarHBondContact O-OG 3.24Å; S674-S676 VanDerWaalsContact C-N 3.29Å; S674-L678 WeakPolarHBondContact O-CB 3.16Å; S674-L678 PolarHBondContact O-N 3.3Å; S674-L678 VanDerWaalsContact O-N 3.14Å |
| 675 | T | 71 | Confident | 76 | Confident | 62 Ų | 62 | 79 Ų | 79 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.4 | -19.7 | 174.8 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | V671 Q672 D673 K679 L980 | V671-T675 HydrophobicContact CG1-CG2 4.15Å; V671-T675 VanDerWaalsContact O-CB 3.32Å; V671-T675 WeakPolarHBondContact O-CB 3.26Å; V671-T675 VanDerWaalsContact O-CG2 3.3Å; V671-T675 WeakPolarHBondContact O-CG2 3.44Å; V671-T675 PolarHBondContact O-N 3.25Å; V671-T675 PolarHBondContact O-OG1 2.94Å; Q672-T675 WeakPolarHBondContact CA-OG1 3.48Å; Q672-T675 PolarHBondContact O-N 3.09Å; Q672-T675 PolarHBondContact O-OG1 2.76Å; D673-T675 PolarHBondContact O-N 2.89Å; T675-K679 WeakPolarHBondContact O-CB 3.49Å; T675-K679 PolarHBondContact O-N 3.37Å; T675-L980 HydrophobicContact CG2-CD1 4.34Å |
| 676 | S | 78.7 | Confident | 75.7 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -73 | -43.3 | 172.1 | -162.6 | 0 | 0 | 0 | 0 | 112.4 | Q672 D673 S674 K679 E680 | Q672-S676 WeakPolarHBondContact O-CB 3.45Å; Q672-S676 PolarHBondContact O-N 2.68Å; D673-S676 WeakPolarHBondContact O-CB 3.26Å; D673-S676 PolarHBondContact O-N 3.43Å; D673-S676 VanDerWaalsContact O-N 3.12Å; S674-S676 VanDerWaalsContact C-N 3.29Å; S676-K679 WeakPolarHBondContact O-CB 3.42Å; S676-K679 PolarHBondContact O-N 3.1Å; S676-E680 PolarHBondContact O-N 2.97Å |
| 677 | D | 76.3 | Confident | 75.6 | Confident | 67 Ų | 67 | 75 Ų | 75 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 171.4 | -179.8 | 50.3 | 0 | 0 | 0 | 111.3 | D673 K679 E680 K681 I976 | D673-D677 PolarHBondContact O-N 2.92Å; D677-K679 VanDerWaalsContact C-N 3.32Å; D677-K679 PolarHBondContact O-N 2.86Å; D677-E680 PolarHBondContact O-N 3.31Å; D677-K681 PolarHBondContact O-N 3.22Å; D677-K681 WeakPolarHBondContact OD1-CE 3.32Å; D677-K681 IonicContact OD1-NZ 3.6Å; D677-K681 PolarHBondContact OD1-NZ 2.98Å; D677-K681 WeakPolarHBondContact OD2-CE 3.4Å; D677-K681 IonicContact OD2-NZ 2.71Å; D677-K681 PolarHBondContact OD2-NZ 3.05Å; D677-I976 VanDerWaalsContact OD2-CD1 3.23Å; D677-I976 WeakPolarHBondContact OD2-CD1 3.4Å |
| 678 | L | 76.5 | Confident | 75.2 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 174 | -176.3 | 62.1 | 0 | 0 | 0 | 111.5 | S674 K681 V682 P973 I976 | S674-L678 WeakPolarHBondContact O-CB 3.16Å; S674-L678 PolarHBondContact O-N 3.3Å; S674-L678 VanDerWaalsContact O-N 3.14Å; L678-K681 PolarHBondContact O-N 3.38Å; L678-V682 HydrophobicContact CD1-CG2 4.05Å; L678-V682 HydrophobicContact CG-CG2 4.3Å; L678-V682 VanDerWaalsContact O-CB 3.25Å; L678-V682 WeakPolarHBondContact O-CB 3.22Å; L678-V682 WeakPolarHBondContact O-CG2 3.47Å; L678-V682 PolarHBondContact O-N 3.5Å; L678-P973 HydrophobicContact CD1-CB 4.09Å; L678-I976 HydrophobicContact CB-CG2 4.18Å; L678-I976 HydrophobicContact CD1-CB 4.35Å; L678-I976 HydrophobicContact CD1-CG2 4.4Å |
| 679 | K | 76.2 | Confident | 74.9 | Confident | 157 Ų | 157 | 74.3 Ų | 74.3 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61 | -43.8 | 177.4 | 175.7 | -171.5 | 173.6 | -169.9 | 0 | 112.2 | T675 S676 D677 M683 | T675-K679 WeakPolarHBondContact O-CB 3.49Å; T675-K679 PolarHBondContact O-N 3.37Å; S676-K679 WeakPolarHBondContact O-CB 3.42Å; S676-K679 PolarHBondContact O-N 3.1Å; D677-K679 VanDerWaalsContact C-N 3.32Å; D677-K679 PolarHBondContact O-N 2.86Å; K679-M683 WeakPolarHBondContact O-CB 3.25Å; K679-M683 PolarHBondContact O-N 3.31Å |
| 680 | E | 77.9 | Confident | 74.5 | Confident | 116 Ų | 116 | 74.4 Ų | 74.4 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 179 | -173.8 | 168.5 | 168.9 | 0 | 0 | 111.5 | S676 D677 V682 M683 I684 | S676-E680 PolarHBondContact O-N 2.97Å; D677-E680 PolarHBondContact O-N 3.31Å; E680-V682 PolarHBondContact O-N 3.35Å; E680-M683 WeakPolarHBondContact O-CB 3.31Å; E680-M683 PolarHBondContact O-N 3.44Å; E680-I684 HydrophobicContact CG-CD1 4.29Å; E680-I684 WeakPolarHBondContact O-CG1 3.4Å; E680-I684 PolarHBondContact O-N 3.39Å |
| 681 | K | 76.2 | Confident | 74.1 | Confident | 66 Ų | 66 | 76.8 Ų | 76.8 | 29% | 0.287 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.9 | -71.8 | 169.2 | 179.3 | 168 | 0 | 112.6 | D677 L678 I684 S685 E972 P973 I976 | D677-K681 PolarHBondContact O-N 3.22Å; D677-K681 WeakPolarHBondContact OD1-CE 3.32Å; D677-K681 IonicContact OD1-NZ 3.6Å; D677-K681 PolarHBondContact OD1-NZ 2.98Å; D677-K681 WeakPolarHBondContact OD2-CE 3.4Å; D677-K681 IonicContact OD2-NZ 2.71Å; D677-K681 PolarHBondContact OD2-NZ 3.05Å; L678-K681 PolarHBondContact O-N 3.38Å; K681-I684 PolarHBondContact O-N 3.24Å; K681-S685 PolarHBondContact O-N 2.88Å; K681-E972 IonicContact NZ-OE2 3.83Å; K681-P973 HydrophobicContact CB-CG 4.43Å; K681-I976 HydrophobicContact CD-CD1 3.47Å; K681-I976 VanDerWaalsContact CD-CD1 3.47Å |
| 682 | V | 75.3 | Confident | 73.9 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 173.2 | 168 | 0 | 0 | 0 | 0 | 111.5 | L678 E680 S685 T686 P973 | L678-V682 HydrophobicContact CD1-CG2 4.05Å; L678-V682 HydrophobicContact CG-CG2 4.3Å; L678-V682 VanDerWaalsContact O-CB 3.25Å; L678-V682 WeakPolarHBondContact O-CB 3.22Å; L678-V682 WeakPolarHBondContact O-CG2 3.47Å; L678-V682 PolarHBondContact O-N 3.5Å; E680-V682 PolarHBondContact O-N 3.35Å; V682-S685 PolarHBondContact O-N 2.85Å; V682-T686 WeakPolarHBondContact O-CB 3.4Å; V682-T686 PolarHBondContact O-N 3.24Å; V682-T686 PolarHBondContact O-OG1 3.04Å; V682-P973 HydrophobicContact CG2-CB 4.3Å |
| 683 | M | 76.1 | Confident | 73.3 | Confident | 113 Ų | 113 | 77.1 Ų | 77.1 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.8 | -46.3 | 174.8 | -173.8 | -175.8 | 71.9 | 0 | 0 | 111.5 | K679 E680 S685 T686 C687 | K679-M683 WeakPolarHBondContact O-CB 3.25Å; K679-M683 PolarHBondContact O-N 3.31Å; E680-M683 WeakPolarHBondContact O-CB 3.31Å; E680-M683 PolarHBondContact O-N 3.44Å; M683-S685 PolarHBondContact O-N 3.5Å; M683-T686 PolarHBondContact O-N 3.3Å; M683-C687 PolarHBondContact O-N 2.75Å; M683-C687 PolarHBondContact O-SG 2.7Å; M683-C687 VanDerWaalsContact O-SG 3.4Å |
| 684 | I | 75.6 | Confident | 72.9 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 178 | -66.1 | 166.6 | 0 | 0 | 0 | 111.3 | E680 K681 N688 | E680-I684 HydrophobicContact CG-CD1 4.29Å; E680-I684 WeakPolarHBondContact O-CG1 3.4Å; E680-I684 PolarHBondContact O-N 3.39Å; K681-I684 PolarHBondContact O-N 3.24Å; I684-N688 PolarHBondContact O-N 2.95Å; I684-N688 PolarHBondContact O-ND2 3.36Å |
| 685 | S | 69 | Low | 72.6 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | K681 V682 M683 N688 A689 S969 | K681-S685 PolarHBondContact O-N 2.88Å; V682-S685 PolarHBondContact O-N 2.85Å; M683-S685 PolarHBondContact O-N 3.5Å; S685-N688 PolarHBondContact O-N 2.89Å; S685-A689 PolarHBondContact O-N 3.07Å; S685-S969 PolarHBondContact OG-O 3.48Å |
| 686 | T | 70.7 | Confident | 72.3 | Confident | 74 Ų | 74 | 86.2 Ų | 86.2 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 177 | -56 | 0 | 0 | 0 | 0 | 112.3 | V682 M683 N688 A689 V690 | V682-T686 WeakPolarHBondContact O-CB 3.4Å; V682-T686 PolarHBondContact O-N 3.24Å; V682-T686 PolarHBondContact O-OG1 3.04Å; M683-T686 PolarHBondContact O-N 3.3Å; T686-N688 VanDerWaalsContact C-N 3.29Å; T686-N688 PolarHBondContact O-N 2.93Å; T686-A689 PolarHBondContact O-N 3Å; T686-V690 WeakPolarHBondContact O-CG2 3.45Å; T686-V690 PolarHBondContact O-N 3.47Å |
| 687 | C | 74.3 | Confident | 71.8 | Confident | 80 Ų | 80 | 86.4 Ų | 86.4 | 54% | 0.541 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 177.1 | -74.3 | 0 | 0 | 0 | 0 | 112.6 | M683 R691 | M683-C687 PolarHBondContact O-N 2.75Å; M683-C687 PolarHBondContact O-SG 2.7Å; M683-C687 VanDerWaalsContact O-SG 3.4Å; C687-R691 PolarHBondContact O-N 3.49Å; C687-R691 VanDerWaalsContact O-N 3.1Å |
| 688 | N | 70.3 | Confident | 71.3 | Confident | 59 Ų | 59 | 86 Ų | 86 | 32% | 0.316 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 173.7 | -80.9 | -58.9 | 0 | 0 | 0 | 112.3 | I684 S685 T686 V690 R691 V692 | I684-N688 PolarHBondContact O-N 2.95Å; I684-N688 PolarHBondContact O-ND2 3.36Å; S685-N688 PolarHBondContact O-N 2.89Å; T686-N688 VanDerWaalsContact C-N 3.29Å; T686-N688 PolarHBondContact O-N 2.93Å; N688-V690 PolarHBondContact O-N 2.81Å; N688-R691 PolarHBondContact O-N 3.17Å; N688-R691 PolarHBondContact OD1-NH2 2.91Å; N688-V692 WeakPolarHBondContact O-CG2 3.43Å; N688-V692 PolarHBondContact O-N 2.92Å; N688-V692 VanDerWaalsContact O-N 3.09Å |
| 689 | A | 67.5 | Low | 70.9 | Confident | 35 Ų | 35 | 89.1 Ų | 89.1 | 29% | 0.289 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S685 T686 R691 V692 Q693 | S685-A689 PolarHBondContact O-N 3.07Å; T686-A689 PolarHBondContact O-N 3Å; A689-R691 VanDerWaalsContact C-N 3.34Å; A689-R691 PolarHBondContact O-N 3.04Å; A689-V692 PolarHBondContact O-N 2.65Å; A689-Q693 WeakPolarHBondContact O-CG 3.44Å; A689-Q693 PolarHBondContact O-N 3.1Å |
| 690 | V | 70.7 | Confident | 70.5 | Confident | 68 Ų | 68 | 85.4 Ų | 85.4 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | T686 N688 Q693 R694 | T686-V690 WeakPolarHBondContact O-CG2 3.45Å; T686-V690 PolarHBondContact O-N 3.47Å; N688-V690 PolarHBondContact O-N 2.81Å; V690-Q693 PolarHBondContact O-N 2.92Å; V690-R694 PolarHBondContact O-N 2.97Å |
| 691 | R | 71.5 | Confident | 70 | Confident | 143 Ų | 143 | 85 Ų | 85 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 174.4 | 179 | 167.2 | 61 | 114.2 | -6.9 | 111.7 | C687 N688 A689 Q693 R694 E695 | C687-R691 PolarHBondContact O-N 3.49Å; C687-R691 VanDerWaalsContact O-N 3.1Å; N688-R691 PolarHBondContact O-N 3.17Å; N688-R691 PolarHBondContact OD1-NH2 2.91Å; A689-R691 VanDerWaalsContact C-N 3.34Å; A689-R691 PolarHBondContact O-N 3.04Å; R691-Q693 PolarHBondContact O-N 3.5Å; R691-R694 PolarHBondContact O-N 2.96Å; R691-R694 VanDerWaalsContact O-N 3.16Å; R691-E695 PolarHBondContact O-N 3.44Å; R691-E695 VanDerWaalsContact O-N 3.15Å |
| 692 | V | 68.4 | Low | 69.8 | Low | 54 Ų | 54 | 85 Ų | 85 | 33% | 0.327 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | N688 A689 R694 E695 M696 M962 | N688-V692 WeakPolarHBondContact O-CG2 3.43Å; N688-V692 PolarHBondContact O-N 2.92Å; N688-V692 VanDerWaalsContact O-N 3.09Å; A689-V692 PolarHBondContact O-N 2.65Å; V692-R694 VanDerWaalsContact C-N 3.31Å; V692-R694 PolarHBondContact O-N 2.97Å; V692-E695 PolarHBondContact O-N 3.36Å; V692-M696 PolarHBondContact O-N 3.26Å; V692-M962 HydrophobicContact CG1-CE 3.79Å; V692-M962 HydrophobicContact CG1-CG 3.89Å; V692-M962 HydrophobicContact CG1-SD 3.91Å |
| 693 | Q | 64.2 | Low | 69.6 | Low | 126 Ų | 126 | 86.1 Ų | 86.1 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.8 | -39.5 | 173.7 | -75.1 | -179.5 | -12.1 | 0 | 0 | 112.4 | A689 V690 R691 M696 V697 | A689-Q693 WeakPolarHBondContact O-CG 3.44Å; A689-Q693 PolarHBondContact O-N 3.1Å; V690-Q693 PolarHBondContact O-N 2.92Å; R691-Q693 PolarHBondContact O-N 3.5Å; Q693-M696 PolarHBondContact O-N 3.14Å; Q693-V697 WeakPolarHBondContact O-CG2 3.35Å; Q693-V697 PolarHBondContact O-N 3.3Å |
| 694 | R | 69.2 | Low | 69.6 | Low | 189 Ų | 189 | 84.5 Ų | 84.5 | 71% | 0.713 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.4 | -38.8 | 179.2 | -169.8 | 176.1 | -71.2 | 179.8 | -2.6 | 112.4 | V690 R691 V692 Q698 | V690-R694 PolarHBondContact O-N 2.97Å; R691-R694 PolarHBondContact O-N 2.96Å; R691-R694 VanDerWaalsContact O-N 3.16Å; V692-R694 VanDerWaalsContact C-N 3.31Å; V692-R694 PolarHBondContact O-N 2.97Å; R694-Q698 PolarHBondContact O-N 2.96Å |
| 695 | E | 68.3 | Low | 69.7 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 172.7 | -70.8 | 177.6 | -157.9 | 0 | 0 | 112.1 | R691 V692 V697 Q698 K699 | R691-E695 PolarHBondContact O-N 3.44Å; R691-E695 VanDerWaalsContact O-N 3.15Å; V692-E695 PolarHBondContact O-N 3.36Å; E695-V697 PolarHBondContact O-N 3.34Å; E695-Q698 PolarHBondContact O-N 2.99Å; E695-K699 PolarHBondContact O-N 2.89Å; E695-K699 VanDerWaalsContact O-N 3.07Å |
| 696 | M | 65.1 | Low | 70.1 | Confident | 97 Ų | 97 | 83.6 Ų | 83.6 | 48% | 0.478 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.1 | -178.7 | 177.4 | 175.3 | 0 | 0 | 112.1 | V692 Q693 Q698 K699 L700 M962 | V692-M696 PolarHBondContact O-N 3.26Å; Q693-M696 PolarHBondContact O-N 3.14Å; M696-Q698 VanDerWaalsContact C-N 3.3Å; M696-Q698 PolarHBondContact O-N 3.2Å; M696-K699 PolarHBondContact O-N 3.43Å; M696-L700 HydrophobicContact CE-CD1 3.99Å; M696-L700 HydrophobicContact CG-CD1 3.99Å; M696-L700 WeakPolarHBondContact O-CB 3.38Å; M696-L700 WeakPolarHBondContact O-CG 3.37Å; M696-L700 PolarHBondContact O-N 3.22Å; M696-M962 HydrophobicContact SD-CE 4.4Å |
| 697 | V | 67.9 | Low | 70.5 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.1 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | Q693 E695 R701 | Q693-V697 WeakPolarHBondContact O-CG2 3.35Å; Q693-V697 PolarHBondContact O-N 3.3Å; E695-V697 PolarHBondContact O-N 3.34Å; V697-R701 WeakPolarHBondContact O-CG 3.36Å; V697-R701 PolarHBondContact O-N 3.43Å; V697-R701 VanDerWaalsContact O-N 3.11Å |
| 698 | Q | 66.7 | Low | 70.8 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 179.7 | -169.7 | 65 | 10.7 | 0 | 0 | 112.1 | R694 E695 M696 R701 T702 V942 | R694-Q698 PolarHBondContact O-N 2.96Å; E695-Q698 PolarHBondContact O-N 2.99Å; M696-Q698 VanDerWaalsContact C-N 3.3Å; M696-Q698 PolarHBondContact O-N 3.2Å; Q698-R701 PolarHBondContact O-N 2.89Å; Q698-T702 PolarHBondContact O-N 3.4Å; Q698-V942 PolarHBondContact NE2-O 3.27Å |
| 699 | K | 68.1 | Low | 71.5 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.6 | -35 | 175.1 | -70 | -169.9 | 179.4 | -171.7 | 0 | 113.1 | E695 M696 T702 F703 M958 | E695-K699 PolarHBondContact O-N 2.89Å; E695-K699 VanDerWaalsContact O-N 3.07Å; M696-K699 PolarHBondContact O-N 3.43Å; K699-T702 PolarHBondContact O-OG1 3.26Å; K699-T702 VanDerWaalsContact O-OG1 3.13Å; K699-F703 PolarHBondContact O-N 2.99Å; K699-M958 PolarHBondContact NZ-SD 3.26Å; K699-M958 VanDerWaalsContact NZ-SD 3.44Å |
| 700 | L | 68.5 | Low | 72.2 | Confident | 79 Ų | 79 | 82.3 Ų | 82.3 | 41% | 0.414 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 175.7 | -75.6 | 170.6 | 0 | 0 | 0 | 112.2 | M696 L704 | M696-L700 HydrophobicContact CE-CD1 3.99Å; M696-L700 HydrophobicContact CG-CD1 3.99Å; M696-L700 WeakPolarHBondContact O-CB 3.38Å; M696-L700 WeakPolarHBondContact O-CG 3.37Å; M696-L700 PolarHBondContact O-N 3.22Å; L700-L704 WeakPolarHBondContact O-CB 3.47Å; L700-L704 VanDerWaalsContact O-CG 3.23Å; L700-L704 WeakPolarHBondContact O-CG 3.48Å; L700-L704 PolarHBondContact O-N 3.03Å |
| 701 | R | 67 | Low | 72.7 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 40% | 0.404 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.7 | -77.5 | 170.3 | 173.6 | -178.7 | -5.6 | 112.8 | V697 Q698 L704 A705 | V697-R701 WeakPolarHBondContact O-CG 3.36Å; V697-R701 PolarHBondContact O-N 3.43Å; V697-R701 VanDerWaalsContact O-N 3.11Å; Q698-R701 PolarHBondContact O-N 2.89Å; R701-L704 PolarHBondContact O-N 3.44Å; R701-A705 WeakPolarHBondContact O-CB 3.48Å; R701-A705 PolarHBondContact O-N 3.45Å |
| 702 | T | 71.2 | Confident | 73.3 | Confident | 68 Ų | 68 | 74 Ų | 74 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | -179.2 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | Q698 K699 N706 | Q698-T702 PolarHBondContact O-N 3.4Å; K699-T702 PolarHBondContact O-OG1 3.26Å; K699-T702 VanDerWaalsContact O-OG1 3.13Å; T702-N706 PolarHBondContact O-N 2.97Å |
| 703 | F | 71.7 | Confident | 74.1 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.4 | -54.8 | 171.8 | 176.5 | -103.4 | 0 | 0 | 0 | 111.8 | K699 A705 N706 E707 L951 | K699-F703 PolarHBondContact O-N 2.99Å; F703-A705 VanDerWaalsContact C-N 3.29Å; F703-A705 PolarHBondContact O-N 2.98Å; F703-N706 PolarHBondContact O-N 3.21Å; F703-N706 VanDerWaalsContact O-N 3.12Å; F703-E707 HydrophobicContact CD1-CG 4.4Å; F703-E707 HydrophobicContact CE1-CG 3.88Å; F703-E707 HydrophobicContact CE2-CG 4Å; F703-E707 HydrophobicContact CZ-CG 3.64Å; F703-E707 PolarHBondContact O-N 3.19Å; F703-L951 HydrophobicContact CD2-CD2 4.15Å |
| 704 | L | 75.5 | Confident | 75 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 41% | 0.414 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -32.2 | -178.1 | -70.3 | 170.8 | 0 | 0 | 0 | 112.9 | L700 R701 C708 W939 | L700-L704 WeakPolarHBondContact O-CB 3.47Å; L700-L704 VanDerWaalsContact O-CG 3.23Å; L700-L704 WeakPolarHBondContact O-CG 3.48Å; L700-L704 PolarHBondContact O-N 3.03Å; R701-L704 PolarHBondContact O-N 3.44Å; L704-C708 WeakPolarHBondContact O-CB 3.46Å; L704-C708 PolarHBondContact O-N 3.45Å; L704-C708 PolarHBondContact O-SG 3.43Å; L704-C708 VanDerWaalsContact O-SG 3.42Å; L704-W939 HydrophobicContact CB-CE3 3.86Å; L704-W939 HydrophobicContact CB-CH2 4.34Å; L704-W939 HydrophobicContact CB-CZ3 3.58Å |
| 705 | A | 77.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R701 F703 C708 I709 A936 W939 Q940 | R701-A705 WeakPolarHBondContact O-CB 3.48Å; R701-A705 PolarHBondContact O-N 3.45Å; F703-A705 VanDerWaalsContact C-N 3.29Å; F703-A705 PolarHBondContact O-N 2.98Å; A705-C708 PolarHBondContact O-N 3.02Å; A705-I709 WeakPolarHBondContact O-CG1 3.39Å; A705-I709 PolarHBondContact O-N 3.03Å; A705-A936 HydrophobicContact CB-CB 4.36Å; A705-W939 HydrophobicContact CB-CB 4.01Å; A705-W939 HydrophobicContact CB-CE3 4.42Å; A705-Q940 HydrophobicContact CB-CG 3.89Å |
| 706 | N | 78 | Confident | 76.3 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 178.2 | -69.7 | -7.4 | 0 | 0 | 0 | 112 | T702 F703 I709 T710 | T702-N706 PolarHBondContact O-N 2.97Å; F703-N706 PolarHBondContact O-N 3.21Å; F703-N706 VanDerWaalsContact O-N 3.12Å; N706-I709 PolarHBondContact O-N 3.42Å; N706-T710 WeakPolarHBondContact O-CB 3.42Å; N706-T710 PolarHBondContact O-N 2.99Å; N706-T710 PolarHBondContact O-OG1 3.2Å |
| 707 | E | 78.7 | Confident | 77.2 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 171 | -69.1 | -59.9 | 146.2 | 0 | 0 | 111.5 | F703 I709 T710 A711 | F703-E707 HydrophobicContact CD1-CG 4.4Å; F703-E707 HydrophobicContact CE1-CG 3.88Å; F703-E707 HydrophobicContact CE2-CG 4Å; F703-E707 HydrophobicContact CZ-CG 3.64Å; F703-E707 PolarHBondContact O-N 3.19Å; E707-I709 PolarHBondContact O-N 3.4Å; E707-T710 PolarHBondContact O-N 3.38Å; E707-A711 WeakPolarHBondContact O-CB 3.41Å; E707-A711 PolarHBondContact O-N 3.42Å |
| 708 | C | 81.6 | Confident | 78 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 175.1 | -77.5 | 0 | 0 | 0 | 0 | 113.1 | L704 A705 A712 L932 A936 W939 | L704-C708 WeakPolarHBondContact O-CB 3.46Å; L704-C708 PolarHBondContact O-N 3.45Å; L704-C708 PolarHBondContact O-SG 3.43Å; L704-C708 VanDerWaalsContact O-SG 3.42Å; A705-C708 PolarHBondContact O-N 3.02Å; C708-A712 VanDerWaalsContact O-CB 3.31Å; C708-A712 WeakPolarHBondContact O-CB 3.27Å; C708-A712 PolarHBondContact O-N 3.28Å; C708-L932 HydrophobicContact CB-CB 4.48Å; C708-L932 HydrophobicContact CB-CD2 4.07Å; C708-A936 HydrophobicContact CB-CB 4.03Å; C708-W939 VanDerWaalsContact SG-CZ3 3.55Å |
| 709 | I | 83.2 | Confident | 78.6 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.7 | -70.4 | 162.7 | 0 | 0 | 0 | 110.8 | A705 N706 E707 A712 N713 L933 A936 | A705-I709 WeakPolarHBondContact O-CG1 3.39Å; A705-I709 PolarHBondContact O-N 3.03Å; N706-I709 PolarHBondContact O-N 3.42Å; E707-I709 PolarHBondContact O-N 3.4Å; I709-A712 PolarHBondContact O-N 3.47Å; I709-N713 WeakPolarHBondContact O-CB 3.27Å; I709-N713 PolarHBondContact O-N 3.34Å; I709-N713 PolarHBondContact O-ND2 3.3Å; I709-L933 HydrophobicContact CG1-CD2 4.12Å; I709-A936 HydrophobicContact CD1-CB 4.02Å; I709-A936 HydrophobicContact CG1-CB 3.63Å |
| 710 | T | 82.3 | Confident | 79.1 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | N706 E707 N713 Q714 | N706-T710 WeakPolarHBondContact O-CB 3.42Å; N706-T710 PolarHBondContact O-N 2.99Å; N706-T710 PolarHBondContact O-OG1 3.2Å; E707-T710 PolarHBondContact O-N 3.38Å; T710-N713 PolarHBondContact O-N 2.99Å; T710-Q714 WeakPolarHBondContact O-CG 3.49Å; T710-Q714 PolarHBondContact O-N 3.19Å; T710-Q714 VanDerWaalsContact O-N 3.11Å |
| 711 | A | 82.7 | Confident | 79.8 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E707 N713 Q714 I715 L932 | E707-A711 WeakPolarHBondContact O-CB 3.41Å; E707-A711 PolarHBondContact O-N 3.42Å; A711-N713 PolarHBondContact O-N 3.44Å; A711-Q714 PolarHBondContact O-N 3.47Å; A711-I715 WeakPolarHBondContact O-CD1 3.44Å; A711-I715 VanDerWaalsContact O-CG1 3.31Å; A711-I715 WeakPolarHBondContact O-CG1 3.4Å; A711-I715 PolarHBondContact O-N 3.34Å; A711-L932 HydrophobicContact CB-CD1 4Å |
| 712 | A | 84.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C708 I709 Q714 I715 N716 G929 L932 L933 | C708-A712 VanDerWaalsContact O-CB 3.31Å; C708-A712 WeakPolarHBondContact O-CB 3.27Å; C708-A712 PolarHBondContact O-N 3.28Å; I709-A712 PolarHBondContact O-N 3.47Å; A712-Q714 VanDerWaalsContact C-N 3.31Å; A712-Q714 PolarHBondContact O-N 3.3Å; A712-I715 PolarHBondContact O-N 2.88Å; A712-N716 WeakPolarHBondContact O-CB 3.38Å; A712-N716 PolarHBondContact O-N 2.9Å; A712-N716 PolarHBondContact O-OD1 2.75Å; A712-G929 WeakPolarHBondContact CB-O 3.39Å; A712-L932 HydrophobicContact CB-CB 3.97Å; A712-L933 HydrophobicContact CB-CD1 4.36Å; A712-L933 HydrophobicContact CB-CD2 3.95Å; A712-L933 HydrophobicContact CB-CG 3.7Å |
| 713 | N | 83.9 | Confident | 80.8 | Confident | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 177.4 | -70.9 | -19.8 | 0 | 0 | 0 | 112.1 | I709 T710 A711 K717 | I709-N713 WeakPolarHBondContact O-CB 3.27Å; I709-N713 PolarHBondContact O-N 3.34Å; I709-N713 PolarHBondContact O-ND2 3.3Å; T710-N713 PolarHBondContact O-N 2.99Å; A711-N713 PolarHBondContact O-N 3.44Å; N713-K717 VanDerWaalsContact O-CB 3.3Å; N713-K717 WeakPolarHBondContact O-CB 3.27Å; N713-K717 PolarHBondContact O-N 3.35Å |
| 714 | Q | 84.5 | Confident | 81.3 | Confident | 134 Ų | 134 | 64 Ų | 64 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 173.7 | -71.1 | 175.9 | 13.4 | 0 | 0 | 112.2 | T710 A711 A712 F718 | T710-Q714 WeakPolarHBondContact O-CG 3.49Å; T710-Q714 PolarHBondContact O-N 3.19Å; T710-Q714 VanDerWaalsContact O-N 3.11Å; A711-Q714 PolarHBondContact O-N 3.47Å; A712-Q714 VanDerWaalsContact C-N 3.31Å; A712-Q714 PolarHBondContact O-N 3.3Å; Q714-F718 WeakPolarHBondContact O-CB 3.46Å; Q714-F718 PolarHBondContact O-N 3.04Å |
| 715 | I | 83.8 | Confident | 81.6 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 177.5 | -69.4 | 162.4 | 0 | 0 | 0 | 111 | A711 A712 F718 A719 F923 P928 L932 | A711-I715 WeakPolarHBondContact O-CD1 3.44Å; A711-I715 VanDerWaalsContact O-CG1 3.31Å; A711-I715 WeakPolarHBondContact O-CG1 3.4Å; A711-I715 PolarHBondContact O-N 3.34Å; A712-I715 PolarHBondContact O-N 2.88Å; I715-F718 PolarHBondContact O-N 2.91Å; I715-A719 PolarHBondContact O-N 2.97Å; I715-F923 HydrophobicContact CG2-CE1 3.83Å; I715-F923 HydrophobicContact CG2-CZ 4.21Å; I715-P928 HydrophobicContact CD1-CB 4.34Å; I715-L932 HydrophobicContact CD1-CD1 3.75Å |
| 716 | N | 80.9 | Confident | 81.7 | Confident | 30 Ų | 30 | 67.4 Ų | 67.4 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 179.4 | -69.7 | 6.2 | 0 | 0 | 0 | 111.3 | A712 F718 A719 E720 | A712-N716 WeakPolarHBondContact O-CB 3.38Å; A712-N716 PolarHBondContact O-N 2.9Å; A712-N716 PolarHBondContact O-OD1 2.75Å; N716-F718 VanDerWaalsContact C-N 3.29Å; N716-F718 PolarHBondContact O-N 3.38Å; N716-A719 WeakPolarHBondContact O-CB 3.23Å; N716-A719 PolarHBondContact O-N 3.06Å; N716-A719 VanDerWaalsContact O-N 3.1Å; N716-E720 WeakPolarHBondContact O-CG 3.21Å; N716-E720 PolarHBondContact O-N 3.45Å |
| 717 | K | 83.8 | Confident | 81.8 | Confident | 120 Ų | 120 | 67.1 Ų | 67.1 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 174.6 | -177.9 | 174.5 | -176.1 | -79.8 | 0 | 112.3 | N713 E720 E721 | N713-K717 VanDerWaalsContact O-CB 3.3Å; N713-K717 WeakPolarHBondContact O-CB 3.27Å; N713-K717 PolarHBondContact O-N 3.35Å; K717-E720 PolarHBondContact O-N 2.91Å; K717-E721 IonicContact NZ-OE1 2.68Å; K717-E721 PolarHBondContact NZ-OE1 2.83Å; K717-E721 WeakPolarHBondContact O-CB 3.32Å; K717-E721 WeakPolarHBondContact O-CG 3.47Å; K717-E721 PolarHBondContact O-N 3.49Å |
| 718 | F | 83.7 | Confident | 81.9 | Confident | 124 Ų | 124 | 66 Ų | 66 | 54% | 0.544 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.9 | -179.4 | -94.4 | 0 | 0 | 0 | 111.5 | Q714 I715 N716 E721 Q722 | Q714-F718 WeakPolarHBondContact O-CB 3.46Å; Q714-F718 PolarHBondContact O-N 3.04Å; I715-F718 PolarHBondContact O-N 2.91Å; N716-F718 VanDerWaalsContact C-N 3.29Å; N716-F718 PolarHBondContact O-N 3.38Å; F718-E721 PolarHBondContact O-N 3.28Å; F718-Q722 HydrophobicContact CD1-CG 4.13Å; F718-Q722 HydrophobicContact CE1-CG 3.77Å; F718-Q722 HydrophobicContact CE2-CG 4.46Å; F718-Q722 HydrophobicContact CZ-CG 3.96Å; F718-Q722 WeakPolarHBondContact O-CG 3.32Å; F718-Q722 PolarHBondContact O-N 3.19Å |
| 719 | A | 79.8 | Confident | 81.8 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I715 N716 Q722 T723 V920 F923 V924 | I715-A719 PolarHBondContact O-N 2.97Å; N716-A719 WeakPolarHBondContact O-CB 3.23Å; N716-A719 PolarHBondContact O-N 3.06Å; N716-A719 VanDerWaalsContact O-N 3.1Å; A719-Q722 PolarHBondContact O-N 2.92Å; A719-T723 WeakPolarHBondContact O-CB 3.44Å; A719-T723 PolarHBondContact O-N 2.86Å; A719-T723 PolarHBondContact O-OG1 2.75Å; A719-V920 HydrophobicContact CB-CG1 3.93Å; A719-F923 HydrophobicContact CB-CD1 4.2Å; A719-V924 HydrophobicContact CB-CG2 3.56Å |
| 720 | E | 79.3 | Confident | 81.5 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 173.1 | -69.9 | 174.1 | 169.3 | 0 | 0 | 112.1 | N716 K717 T723 T724 | N716-E720 WeakPolarHBondContact O-CG 3.21Å; N716-E720 PolarHBondContact O-N 3.45Å; K717-E720 PolarHBondContact O-N 2.91Å; E720-T723 PolarHBondContact O-N 3.28Å; E720-T724 WeakPolarHBondContact O-CB 3.28Å; E720-T724 PolarHBondContact O-N 3.42Å; E720-T724 PolarHBondContact O-OG1 3.4Å |
| 721 | E | 82.6 | Confident | 81.4 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.3 | -80.2 | -173.2 | -148.7 | 0 | 0 | 112.6 | K717 F718 K725 | K717-E721 IonicContact NZ-OE1 2.68Å; K717-E721 PolarHBondContact NZ-OE1 2.83Å; K717-E721 WeakPolarHBondContact O-CB 3.32Å; K717-E721 WeakPolarHBondContact O-CG 3.47Å; K717-E721 PolarHBondContact O-N 3.49Å; F718-E721 PolarHBondContact O-N 3.28Å; E721-K725 WeakPolarHBondContact O-CD 3.41Å; E721-K725 VanDerWaalsContact O-CG 3.24Å; E721-K725 WeakPolarHBondContact O-CG 3.45Å; E721-K725 PolarHBondContact O-N 3.14Å; E721-K725 VanDerWaalsContact O-N 3.1Å; E721-K725 IonicContact OE2-NZ 2.69Å; E721-K725 PolarHBondContact OE2-NZ 3.38Å |
| 722 | Q | 80 | Confident | 81.3 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.2 | -41.4 | 175.6 | -59.8 | -51 | -20.5 | 0 | 0 | 111.8 | F718 A719 T724 K725 V726 | F718-Q722 HydrophobicContact CD1-CG 4.13Å; F718-Q722 HydrophobicContact CE1-CG 3.77Å; F718-Q722 HydrophobicContact CE2-CG 4.46Å; F718-Q722 HydrophobicContact CZ-CG 3.96Å; F718-Q722 WeakPolarHBondContact O-CG 3.32Å; F718-Q722 PolarHBondContact O-N 3.19Å; A719-Q722 PolarHBondContact O-N 2.92Å; Q722-T724 VanDerWaalsContact C-N 3.26Å; Q722-T724 PolarHBondContact O-N 2.8Å; Q722-K725 PolarHBondContact O-N 2.92Å; Q722-V726 WeakPolarHBondContact O-CG2 3.39Å; Q722-V726 PolarHBondContact O-N 3.39Å |
| 723 | T | 78.4 | Confident | 81 | Confident | 19 Ų | 19 | 76.6 Ų | 76.6 | 12% | 0.117 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.9 | -44 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | A719 E720 V726 K727 V920 | A719-T723 WeakPolarHBondContact O-CB 3.44Å; A719-T723 PolarHBondContact O-N 2.86Å; A719-T723 PolarHBondContact O-OG1 2.75Å; E720-T723 PolarHBondContact O-N 3.28Å; T723-V726 PolarHBondContact O-N 2.94Å; T723-K727 HydrophobicContact CG2-CD 3.92Å; T723-K727 WeakPolarHBondContact O-CB 3.45Å; T723-K727 WeakPolarHBondContact O-CG 3.47Å; T723-K727 PolarHBondContact O-N 3.49Å; T723-V920 WeakPolarHBondContact OG1-CG1 3.34Å |
| 724 | T | 82.1 | Confident | 80.8 | Confident | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 179.3 | -54 | 0 | 0 | 0 | 0 | 111.7 | E720 Q722 T728 | E720-T724 WeakPolarHBondContact O-CB 3.28Å; E720-T724 PolarHBondContact O-N 3.42Å; E720-T724 PolarHBondContact O-OG1 3.4Å; Q722-T724 VanDerWaalsContact C-N 3.26Å; Q722-T724 PolarHBondContact O-N 2.8Å; T724-T728 VanDerWaalsContact O-CB 3.28Å; T724-T728 WeakPolarHBondContact O-CB 3.35Å; T724-T728 PolarHBondContact O-N 2.68Å; T724-T728 PolarHBondContact O-OG1 3.04Å |
| 725 | K | 82.5 | Confident | 80.6 | Confident | 107 Ų | 107 | 70.4 Ų | 70.4 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.4 | -70.9 | 160.7 | -165.6 | 161.7 | 0 | 111.9 | E721 Q722 T728 G729 | E721-K725 WeakPolarHBondContact O-CD 3.41Å; E721-K725 VanDerWaalsContact O-CG 3.24Å; E721-K725 WeakPolarHBondContact O-CG 3.45Å; E721-K725 PolarHBondContact O-N 3.14Å; E721-K725 VanDerWaalsContact O-N 3.1Å; E721-K725 IonicContact OE2-NZ 2.69Å; E721-K725 PolarHBondContact OE2-NZ 3.38Å; Q722-K725 PolarHBondContact O-N 2.92Å; K725-T728 PolarHBondContact O-N 3.44Å; K725-G729 PolarHBondContact O-N 2.92Å |
| 726 | V | 79.4 | Confident | 80.6 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | Q722 T723 T728 G729 R730 M913 V916 | Q722-V726 WeakPolarHBondContact O-CG2 3.39Å; Q722-V726 PolarHBondContact O-N 3.39Å; T723-V726 PolarHBondContact O-N 2.94Å; V726-T728 VanDerWaalsContact C-N 3.34Å; V726-T728 PolarHBondContact O-N 2.81Å; V726-G729 PolarHBondContact O-N 3.32Å; V726-R730 PolarHBondContact O-N 3.48Å; V726-M913 HydrophobicContact CG1-SD 3.89Å; V726-V916 HydrophobicContact CG1-CG1 4.11Å; V726-V916 HydrophobicContact CG2-CG1 4.28Å |
| 727 | K | 80.1 | Confident | 80.6 | Confident | 82 Ų | 82 | 75.6 Ų | 75.6 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.2 | -69.2 | 174.9 | -176.4 | 172.7 | 0 | 111 | T723 G729 R730 D731 C917 E921 | T723-K727 HydrophobicContact CG2-CD 3.92Å; T723-K727 WeakPolarHBondContact O-CB 3.45Å; T723-K727 WeakPolarHBondContact O-CG 3.47Å; T723-K727 PolarHBondContact O-N 3.49Å; K727-G729 PolarHBondContact O-N 3.33Å; K727-R730 WeakPolarHBondContact O-CB 3.32Å; K727-R730 PolarHBondContact O-N 2.7Å; K727-D731 PolarHBondContact O-N 2.67Å; K727-C917 WeakPolarHBondContact CE-SG 3.49Å; K727-E921 IonicContact NZ-OE1 2.73Å; K727-E921 PolarHBondContact NZ-OE1 3.08Å |
| 728 | T | 82.4 | Confident | 80.6 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -42 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | T724 K725 V726 D731 T732 | T724-T728 VanDerWaalsContact O-CB 3.28Å; T724-T728 WeakPolarHBondContact O-CB 3.35Å; T724-T728 PolarHBondContact O-N 2.68Å; T724-T728 PolarHBondContact O-OG1 3.04Å; K725-T728 PolarHBondContact O-N 3.44Å; V726-T728 VanDerWaalsContact C-N 3.34Å; V726-T728 PolarHBondContact O-N 2.81Å; T728-D731 PolarHBondContact O-N 2.86Å; T728-T732 HydrophobicContact CG2-CG2 4.12Å; T728-T732 WeakPolarHBondContact O-CB 3.33Å; T728-T732 WeakPolarHBondContact O-CG2 3.27Å; T728-T732 PolarHBondContact O-N 3Å; T728-T732 PolarHBondContact O-OG1 3.47Å |
| 729 | G | 78.3 | Confident | 80.6 | Confident | 23 Ų | 23 | 70 Ų | 70 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K725 V726 K727 I733 I734 | K725-G729 PolarHBondContact O-N 2.92Å; V726-G729 PolarHBondContact O-N 3.32Å; K727-G729 PolarHBondContact O-N 3.33Å; G729-I733 VanDerWaalsContact O-CB 3.32Å; G729-I733 WeakPolarHBondContact O-CB 3.48Å; G729-I733 PolarHBondContact O-N 2.74Å; G729-I734 PolarHBondContact O-N 2.99Å |
| 730 | R | 77.8 | Confident | 80.8 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 23% | 0.226 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -55.6 | -53.9 | 170.9 | 176.4 | -171.1 | -177.9 | 142.2 | 4.2 | 110.8 | V726 K727 I734 V735 N914 | V726-R730 PolarHBondContact O-N 3.48Å; K727-R730 WeakPolarHBondContact O-CB 3.32Å; K727-R730 PolarHBondContact O-N 2.7Å; R730-I734 WeakPolarHBondContact O-CA 3.34Å; R730-I734 WeakPolarHBondContact O-CB 3.39Å; R730-I734 PolarHBondContact O-N 3.01Å; R730-V735 HydrophobicContact CG-CG2 4.47Å; R730-V735 PolarHBondContact O-N 3.06Å; R730-N914 PolarHBondContact NH1-OD1 3.34Å |
| 731 | D | 79.3 | Confident | 80.9 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -78.4 | -28.9 | -169.2 | -60.7 | -16.6 | 0 | 0 | 0 | 112.8 | K727 T728 P736 | K727-D731 PolarHBondContact O-N 2.67Å; T728-D731 PolarHBondContact O-N 2.86Å; D731-P736 WeakPolarHBondContact O-CD 3.5Å |
| 732 | T | 81.2 | Confident | 80.8 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | I | π-helix | trans | -92.1 | -27.2 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 114.8 | T728 | T728-T732 HydrophobicContact CG2-CG2 4.12Å; T728-T732 WeakPolarHBondContact O-CB 3.33Å; T728-T732 WeakPolarHBondContact O-CG2 3.27Å; T728-T732 PolarHBondContact O-N 3Å; T728-T732 PolarHBondContact O-OG1 3.47Å |
| 733 | I | 78.3 | Confident | 81.1 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | I | π-helix | trans | -112.8 | -50.6 | -176.3 | -52.8 | 175.9 | 0 | 0 | 0 | 111.2 | G729 Q737 | G729-I733 VanDerWaalsContact O-CB 3.32Å; G729-I733 WeakPolarHBondContact O-CB 3.48Å; G729-I733 PolarHBondContact O-N 2.74Å; I733-Q737 WeakPolarHBondContact O-CG 3.48Å |
| 734 | I | 79 | Confident | 81.3 | Confident | 39 Ų | 39 | 77.9 Ų | 77.9 | 20% | 0.2 | 41% | 0.41 | C | S | . | . | I | π-helix | trans | -78.4 | -49.4 | -167.7 | -58.3 | -179.1 | 0 | 0 | 0 | 111.4 | G729 R730 Q737 F738 V909 M913 | G729-I734 PolarHBondContact O-N 2.99Å; R730-I734 WeakPolarHBondContact O-CA 3.34Å; R730-I734 WeakPolarHBondContact O-CB 3.39Å; R730-I734 PolarHBondContact O-N 3.01Å; I734-Q737 PolarHBondContact O-N 3.35Å; I734-F738 HydrophobicContact CG2-CD2 3.69Å; I734-F738 HydrophobicContact CG2-CE2 3.33Å; I734-F738 HydrophobicContact CG2-CZ 4.07Å; I734-F738 PolarHBondContact O-N 3.01Å; I734-V909 HydrophobicContact CD1-CG1 4.06Å; I734-V909 HydrophobicContact CG2-CG1 3.82Å; I734-M913 HydrophobicContact CD1-CE 3.7Å; I734-M913 HydrophobicContact CD1-CG 4.38Å; I734-M913 HydrophobicContact CD1-SD 4.26Å |
| 735 | V | 79.5 | Confident | 81.3 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | -177.7 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | R730 Q737 F738 E739 | R730-V735 HydrophobicContact CG-CG2 4.47Å; R730-V735 PolarHBondContact O-N 3.06Å; V735-Q737 VanDerWaalsContact C-N 3.32Å; V735-Q737 PolarHBondContact O-N 3.33Å; V735-F738 PolarHBondContact O-N 2.67Å; V735-E739 PolarHBondContact O-N 3.25Å |
| 736 | P | 83.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 41% | 0.409 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | 179.2 | -24.1 | 36.3 | 0 | 0 | 0 | 113.8 | D731 E739 C740 | D731-P736 WeakPolarHBondContact O-CD 3.5Å; P736-E739 PolarHBondContact O-N 3.05Å; P736-C740 WeakPolarHBondContact O-CB 3.5Å; P736-C740 PolarHBondContact O-N 2.95Å |
| 737 | Q | 80.8 | Confident | 81.6 | Confident | 123 Ų | 123 | 74.9 Ų | 74.9 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70.3 | -40 | 176.5 | -68 | -67.4 | -14.3 | 0 | 0 | 111.5 | I733 I734 V735 C740 L741 | I733-Q737 WeakPolarHBondContact O-CG 3.48Å; I734-Q737 PolarHBondContact O-N 3.35Å; V735-Q737 VanDerWaalsContact C-N 3.32Å; V735-Q737 PolarHBondContact O-N 3.33Å; Q737-C740 PolarHBondContact O-N 3.35Å; Q737-L741 WeakPolarHBondContact O-CG 3.14Å; Q737-L741 PolarHBondContact O-N 2.96Å |
| 738 | F | 85 | Confident | 81.8 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 12% | 0.123 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 172.2 | -73.5 | -36.2 | 0 | 0 | 0 | 112.3 | I734 V735 C740 L741 Q742 H902 L905 K906 V909 | I734-F738 HydrophobicContact CG2-CD2 3.69Å; I734-F738 HydrophobicContact CG2-CE2 3.33Å; I734-F738 HydrophobicContact CG2-CZ 4.07Å; I734-F738 PolarHBondContact O-N 3.01Å; V735-F738 PolarHBondContact O-N 2.67Å; F738-C740 VanDerWaalsContact C-N 3.31Å; F738-C740 PolarHBondContact O-N 3.41Å; F738-L741 HydrophobicContact CD1-CD1 4.48Å; F738-L741 PolarHBondContact O-N 2.93Å; F738-Q742 WeakPolarHBondContact O-CB 3.49Å; F738-Q742 PolarHBondContact O-N 3.25Å; F738-H902 AromaticContact CD1-CE1 3.61Å; F738-H902 AromaticContact CD1-ND1 3.91Å; F738-H902 PolarHBondContact O-CE1 3.49Å; F738-L905 HydrophobicContact CE1-CD2 4.49Å; F738-L905 HydrophobicContact CE1-CG 4.41Å; F738-K906 HydrophobicContact CD1-CB 4.45Å; F738-K906 HydrophobicContact CD2-CB 4.28Å; F738-K906 HydrophobicContact CD2-CG 4.07Å; F738-K906 HydrophobicContact CE1-CB 4.22Å; F738-K906 HydrophobicContact CE2-CB 4.03Å; F738-K906 HydrophobicContact CE2-CG 4.1Å; F738-K906 HydrophobicContact CZ-CB 4.01Å; F738-V909 HydrophobicContact CE2-CB 4.26Å; F738-V909 HydrophobicContact CE2-CG1 4.13Å; F738-V909 HydrophobicContact CZ-CB 4.03Å; F738-V909 HydrophobicContact CZ-CG1 4.2Å; F738-V909 HydrophobicContact CZ-CG2 4.24Å |
| 739 | E | 82.7 | Confident | 81.9 | Confident | 100 Ų | 100 | 73.5 Ų | 73.5 | 47% | 0.467 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 172.4 | -80.5 | -161.9 | -163 | 0 | 0 | 113.1 | V735 P736 Q742 K743 | V735-E739 PolarHBondContact O-N 3.25Å; P736-E739 PolarHBondContact O-N 3.05Å; E739-Q742 PolarHBondContact O-N 3.24Å; E739-K743 WeakPolarHBondContact O-CD 3.32Å; E739-K743 VanDerWaalsContact O-CG 3.27Å; E739-K743 WeakPolarHBondContact O-CG 3.5Å; E739-K743 PolarHBondContact O-N 2.88Å; E739-K743 IonicContact OE2-NZ 2.69Å; E739-K743 PolarHBondContact OE2-NZ 3.21Å |
| 740 | C | 83.7 | Confident | 82.1 | Confident | 76 Ų | 76 | 75.7 Ų | 75.7 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.6 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | P736 Q737 F738 K743 L744 | P736-C740 WeakPolarHBondContact O-CB 3.5Å; P736-C740 PolarHBondContact O-N 2.95Å; Q737-C740 PolarHBondContact O-N 3.35Å; F738-C740 VanDerWaalsContact C-N 3.31Å; F738-C740 PolarHBondContact O-N 3.41Å; C740-K743 PolarHBondContact O-N 3.21Å; C740-L744 PolarHBondContact O-N 2.7Å |
| 741 | L | 81.6 | Confident | 82.4 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 40% | 0.398 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174 | -71.8 | 171.2 | 0 | 0 | 0 | 112.1 | Q737 F738 K743 L744 V745 | Q737-L741 WeakPolarHBondContact O-CG 3.14Å; Q737-L741 PolarHBondContact O-N 2.96Å; F738-L741 HydrophobicContact CD1-CD1 4.48Å; F738-L741 PolarHBondContact O-N 2.93Å; L741-K743 VanDerWaalsContact C-N 3.34Å; L741-K743 PolarHBondContact O-N 3.11Å; L741-L744 PolarHBondContact O-N 3.39Å; L741-V745 WeakPolarHBondContact O-CG2 3.45Å; L741-V745 PolarHBondContact O-N 2.82Å |
| 742 | Q | 81.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 34% | 0.341 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.6 | -168.9 | 70 | -12.2 | 0 | 0 | 112.1 | F738 E739 T746 H902 | F738-Q742 WeakPolarHBondContact O-CB 3.49Å; F738-Q742 PolarHBondContact O-N 3.25Å; E739-Q742 PolarHBondContact O-N 3.24Å; Q742-T746 WeakPolarHBondContact O-CB 3.47Å; Q742-T746 PolarHBondContact O-N 2.76Å; Q742-T746 PolarHBondContact O-OG1 3.45Å; Q742-H902 PolarHBondContact OE1-CD2 3.39Å; Q742-H902 PolarHBondContact OE1-NE2 3.38Å |
| 743 | K | 84.7 | Confident | 82.6 | Confident | 128 Ų | 128 | 68.7 Ų | 68.7 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 173.1 | -71.1 | 160.1 | -168.4 | 160 | 0 | 111.2 | E739 C740 L741 T746 S747 | E739-K743 WeakPolarHBondContact O-CD 3.32Å; E739-K743 VanDerWaalsContact O-CG 3.27Å; E739-K743 WeakPolarHBondContact O-CG 3.5Å; E739-K743 PolarHBondContact O-N 2.88Å; E739-K743 IonicContact OE2-NZ 2.69Å; E739-K743 PolarHBondContact OE2-NZ 3.21Å; C740-K743 PolarHBondContact O-N 3.21Å; L741-K743 VanDerWaalsContact C-N 3.34Å; L741-K743 PolarHBondContact O-N 3.11Å; K743-T746 PolarHBondContact O-N 3.24Å; K743-S747 WeakPolarHBondContact O-CB 3.47Å; K743-S747 PolarHBondContact O-N 2.88Å |
| 744 | L | 82.5 | Confident | 82.8 | Confident | 98 Ų | 98 | 68.8 Ų | 68.8 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 176.4 | -178.6 | 63.5 | 0 | 0 | 0 | 112.5 | C740 L741 T746 S747 L748 | C740-L744 PolarHBondContact O-N 2.7Å; L741-L744 PolarHBondContact O-N 3.39Å; L744-T746 VanDerWaalsContact C-N 3.32Å; L744-T746 PolarHBondContact O-N 2.89Å; L744-S747 PolarHBondContact O-N 3.11Å; L744-L748 HydrophobicContact CD1-CD1 4.33Å; L744-L748 HydrophobicContact CD1-CG 4.39Å; L744-L748 HydrophobicContact CG-CD1 4.08Å; L744-L748 WeakPolarHBondContact O-CB 3.28Å; L744-L748 WeakPolarHBondContact O-CG 3.4Å; L744-L748 PolarHBondContact O-N 3.19Å |
| 745 | V | 83.4 | Confident | 83 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.1 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | L741 L748 S749 T895 V898 | L741-V745 WeakPolarHBondContact O-CG2 3.45Å; L741-V745 PolarHBondContact O-N 2.82Å; V745-L748 PolarHBondContact O-N 2.78Å; V745-S749 WeakPolarHBondContact O-CB 3.47Å; V745-S749 PolarHBondContact O-N 3.45Å; V745-T895 HydrophobicContact CG1-CG2 4.36Å; V745-V898 HydrophobicContact CG2-CG1 3.86Å |
| 746 | T | 84.2 | Confident | 83.1 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 48% | 0.479 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 176 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | Q742 K743 L744 L748 S749 T750 | Q742-T746 WeakPolarHBondContact O-CB 3.47Å; Q742-T746 PolarHBondContact O-N 2.76Å; Q742-T746 PolarHBondContact O-OG1 3.45Å; K743-T746 PolarHBondContact O-N 3.24Å; L744-T746 VanDerWaalsContact C-N 3.32Å; L744-T746 PolarHBondContact O-N 2.89Å; T746-L748 PolarHBondContact O-N 3.46Å; T746-S749 PolarHBondContact O-N 3.08Å; T746-T750 PolarHBondContact O-N 2.74Å; T746-T750 PolarHBondContact O-OG1 3.08Å |
| 747 | S | 84.3 | Confident | 83.1 | Confident | 81 Ų | 81 | 75 Ų | 75 | 57% | 0.566 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 179.2 | -170.3 | 0 | 0 | 0 | 0 | 112.9 | K743 L744 G751 | K743-S747 WeakPolarHBondContact O-CB 3.47Å; K743-S747 PolarHBondContact O-N 2.88Å; L744-S747 PolarHBondContact O-N 3.11Å; S747-G751 PolarHBondContact O-N 2.89Å |
| 748 | L | 83.3 | Confident | 83.2 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.3 | -74.6 | 169.3 | 0 | 0 | 0 | 111.5 | L744 V745 T746 A752 T895 | L744-L748 HydrophobicContact CD1-CD1 4.33Å; L744-L748 HydrophobicContact CD1-CG 4.39Å; L744-L748 HydrophobicContact CG-CD1 4.08Å; L744-L748 WeakPolarHBondContact O-CB 3.28Å; L744-L748 WeakPolarHBondContact O-CG 3.4Å; L744-L748 PolarHBondContact O-N 3.19Å; V745-L748 PolarHBondContact O-N 2.78Å; T746-L748 PolarHBondContact O-N 3.46Å; L748-A752 WeakPolarHBondContact O-CB 3.43Å; L748-A752 PolarHBondContact O-N 3.43Å; L748-T895 HydrophobicContact CB-CG2 4.09Å |
| 749 | S | 83.7 | Confident | 83 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 176.7 | -165.2 | 0 | 0 | 0 | 0 | 112 | V745 T746 A752 D753 | V745-S749 WeakPolarHBondContact O-CB 3.47Å; V745-S749 PolarHBondContact O-N 3.45Å; T746-S749 PolarHBondContact O-N 3.08Å; S749-A752 WeakPolarHBondContact O-CB 3.46Å; S749-A752 PolarHBondContact O-N 3.4Å; S749-D753 PolarHBondContact O-N 3.42Å; S749-D753 VanDerWaalsContact O-N 3.14Å |
| 750 | T | 83.5 | Confident | 82.9 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 177.3 | -55 | 0 | 0 | 0 | 0 | 111.4 | T746 A752 D753 E754 | T746-T750 PolarHBondContact O-N 2.74Å; T746-T750 PolarHBondContact O-OG1 3.08Å; T750-A752 VanDerWaalsContact C-N 3.28Å; T750-A752 PolarHBondContact O-N 3.07Å; T750-D753 PolarHBondContact O-N 2.89Å; T750-E754 WeakPolarHBondContact O-CG 3.36Å; T750-E754 PolarHBondContact O-N 3.24Å |
| 751 | G | 83.9 | Confident | 82.7 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S747 E754 L755 | S747-G751 PolarHBondContact O-N 2.89Å; G751-E754 PolarHBondContact O-N 3.42Å; G751-L755 WeakPolarHBondContact O-CB 3.47Å; G751-L755 PolarHBondContact O-N 3.01Å |
| 752 | A | 83.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 73 Ų | 73 | 2% | 0.017 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L748 S749 T750 D756 L891 K892 | L748-A752 WeakPolarHBondContact O-CB 3.43Å; L748-A752 PolarHBondContact O-N 3.43Å; S749-A752 WeakPolarHBondContact O-CB 3.46Å; S749-A752 PolarHBondContact O-N 3.4Å; T750-A752 VanDerWaalsContact C-N 3.28Å; T750-A752 PolarHBondContact O-N 3.07Å; A752-D756 VanDerWaalsContact O-CB 3.27Å; A752-D756 WeakPolarHBondContact O-CB 3.23Å; A752-D756 PolarHBondContact O-N 2.83Å; A752-L891 HydrophobicContact CB-CD2 3.56Å; A752-K892 HydrophobicContact CB-CG 3.92Å |
| 753 | D | 82 | Confident | 82.5 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.3 | -25.2 | 178.1 | -74.3 | -23.4 | 0 | 0 | 0 | 113.2 | S749 T750 R757 K892 | S749-D753 PolarHBondContact O-N 3.42Å; S749-D753 VanDerWaalsContact O-N 3.14Å; T750-D753 PolarHBondContact O-N 2.89Å; D753-R757 WeakPolarHBondContact O-CB 3.48Å; D753-R757 PolarHBondContact O-N 3.4Å; D753-K892 WeakPolarHBondContact OD1-CE 3.48Å; D753-K892 IonicContact OD1-NZ 3.44Å; D753-K892 PolarHBondContact OD1-NZ 3.44Å |
| 754 | E | 82.7 | Confident | 82.3 | Confident | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.7 | -42.6 | 171.9 | -72.8 | 179.5 | 170.9 | 0 | 0 | 112.1 | T750 G751 R757 C758 | T750-E754 WeakPolarHBondContact O-CG 3.36Å; T750-E754 PolarHBondContact O-N 3.24Å; G751-E754 PolarHBondContact O-N 3.42Å; E754-R757 PolarHBondContact O-N 3.47Å; E754-C758 VanDerWaalsContact O-CB 3.32Å; E754-C758 WeakPolarHBondContact O-CB 3.38Å; E754-C758 PolarHBondContact O-N 3.02Å |
| 755 | L | 82.1 | Confident | 82 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 171.9 | -86.8 | 160.6 | 0 | 0 | 0 | 112.1 | G751 C758 L759 I888 | G751-L755 WeakPolarHBondContact O-CB 3.47Å; G751-L755 PolarHBondContact O-N 3.01Å; L755-C758 PolarHBondContact O-N 2.94Å; L755-L759 WeakPolarHBondContact O-CG 3.29Å; L755-L759 PolarHBondContact O-N 2.8Å; L755-I888 HydrophobicContact CB-CD1 3.76Å |
| 756 | D | 83.3 | Confident | 81.9 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.214 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 177.3 | -168.2 | 11.2 | 0 | 0 | 0 | 110.8 | A752 C758 L759 L760 M885 I888 K892 | A752-D756 VanDerWaalsContact O-CB 3.27Å; A752-D756 WeakPolarHBondContact O-CB 3.23Å; A752-D756 PolarHBondContact O-N 2.83Å; D756-C758 VanDerWaalsContact C-N 3.35Å; D756-C758 PolarHBondContact O-N 3.35Å; D756-L759 PolarHBondContact O-N 3.17Å; D756-L760 PolarHBondContact O-N 3.48Å; D756-M885 WeakPolarHBondContact OD1-CE 3.31Å; D756-I888 HydrophobicContact CB-CD1 4.21Å; D756-I888 HydrophobicContact CB-CG2 4.19Å; D756-K892 IonicContact OD2-NZ 3.58Å; D756-K892 PolarHBondContact OD2-NZ 2.86Å |
| 757 | R | 82.9 | Confident | 81.5 | Confident | 153 Ų | 153 | 74.4 Ų | 74.4 | 58% | 0.577 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 176 | -164 | -174.5 | -49.6 | 157.9 | 13.1 | 112.9 | D753 E754 L760 N761 | D753-R757 WeakPolarHBondContact O-CB 3.48Å; D753-R757 PolarHBondContact O-N 3.4Å; E754-R757 PolarHBondContact O-N 3.47Å; R757-L760 PolarHBondContact O-N 3.35Å; R757-N761 PolarHBondContact O-N 2.83Å; R757-N761 VanDerWaalsContact O-N 3.1Å; R757-N761 PolarHBondContact O-ND2 2.84Å; R757-N761 PolarHBondContact O-OD1 3.22Å |
| 758 | C | 82.3 | Confident | 81.2 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 42% | 0.419 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 178.3 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | E754 L755 D756 N761 Q762 | E754-C758 VanDerWaalsContact O-CB 3.32Å; E754-C758 WeakPolarHBondContact O-CB 3.38Å; E754-C758 PolarHBondContact O-N 3.02Å; L755-C758 PolarHBondContact O-N 2.94Å; D756-C758 VanDerWaalsContact C-N 3.35Å; D756-C758 PolarHBondContact O-N 3.35Å; C758-N761 PolarHBondContact O-N 2.9Å; C758-Q762 WeakPolarHBondContact O-CG 3.31Å; C758-Q762 PolarHBondContact O-N 2.84Å |
| 759 | L | 81.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 13% | 0.126 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 176.5 | -71.9 | 176.5 | 0 | 0 | 0 | 112.9 | L755 D756 Q762 F763 N884 I888 | L755-L759 WeakPolarHBondContact O-CG 3.29Å; L755-L759 PolarHBondContact O-N 2.8Å; D756-L759 PolarHBondContact O-N 3.17Å; L759-Q762 PolarHBondContact O-N 3.43Å; L759-F763 WeakPolarHBondContact O-CB 3.28Å; L759-F763 PolarHBondContact O-N 3.44Å; L759-N884 HydrophobicContact CD1-CB 3.56Å; L759-N884 HydrophobicContact CD2-CB 4.37Å; L759-I888 HydrophobicContact CD1-CD1 3.54Å; L759-I888 HydrophobicContact CD1-CG1 4.39Å |
| 760 | L | 79.6 | Confident | 80.4 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 41% | 0.414 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 174.8 | -147.3 | 83.4 | 0 | 0 | 0 | 110.6 | D756 R757 Q762 F763 E764 | D756-L760 PolarHBondContact O-N 3.48Å; R757-L760 PolarHBondContact O-N 3.35Å; L760-Q762 PolarHBondContact O-N 2.81Å; L760-F763 PolarHBondContact O-N 2.78Å; L760-E764 PolarHBondContact O-N 2.86Å |
| 761 | N | 79.9 | Confident | 80.2 | Confident | 96 Ų | 96 | 75.6 Ų | 75.6 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.4 | -68.2 | -9.9 | 0 | 0 | 0 | 112.4 | R757 C758 A765 | R757-N761 PolarHBondContact O-N 2.83Å; R757-N761 VanDerWaalsContact O-N 3.1Å; R757-N761 PolarHBondContact O-ND2 2.84Å; R757-N761 PolarHBondContact O-OD1 3.22Å; C758-N761 PolarHBondContact O-N 2.9Å; N761-A765 PolarHBondContact O-N 3.25Å; N761-A765 VanDerWaalsContact O-N 3.08Å |
| 762 | Q | 78.3 | Confident | 79.9 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 174.5 | -73.8 | -177.3 | 5.8 | 0 | 0 | 111.7 | C758 L759 L760 A765 Y766 | C758-Q762 WeakPolarHBondContact O-CG 3.31Å; C758-Q762 PolarHBondContact O-N 2.84Å; L759-Q762 PolarHBondContact O-N 3.43Å; L760-Q762 PolarHBondContact O-N 2.81Å; Q762-A765 PolarHBondContact O-N 2.85Å; Q762-Y766 WeakPolarHBondContact O-CD2 3.31Å; Q762-Y766 PolarHBondContact O-N 3.45Å |
| 763 | F | 82 | Confident | 79.5 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 179.3 | -170.6 | -121 | 0 | 0 | 0 | 112.2 | L759 L760 A765 Y766 Q767 V877 H881 | L759-F763 WeakPolarHBondContact O-CB 3.28Å; L759-F763 PolarHBondContact O-N 3.44Å; L760-F763 PolarHBondContact O-N 2.78Å; F763-A765 PolarHBondContact O-N 2.71Å; F763-Y766 PolarHBondContact O-N 3.42Å; F763-Q767 WeakPolarHBondContact O-CG 3.31Å; F763-Q767 PolarHBondContact O-N 3.48Å; F763-V877 HydrophobicContact CD2-CG1 4.3Å; F763-V877 HydrophobicContact CE2-CG1 4.44Å; F763-H881 AromaticContact CD1-CE1 3.89Å; F763-H881 AromaticContact CD1-NE2 3.82Å; F763-H881 HydrophobicContact CD2-CB 3.83Å; F763-H881 AromaticContact CD2-CG 3.69Å; F763-H881 AromaticContact CD2-ND1 3.91Å; F763-H881 HydrophobicContact CE2-CB 3.98Å; F763-H881 AromaticContact CE2-CG 3.98Å; F763-H881 HydrophobicContact CG-CB 4.46Å; F763-H881 AromaticContact CG-CE1 3.83Å; F763-H881 AromaticContact CG-CG 3.83Å; F763-H881 AromaticContact CG-ND1 3.65Å |
| 764 | E | 79.7 | Confident | 79.3 | Confident | 111 Ų | 111 | 82.6 Ų | 82.6 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 171.1 | -72.5 | -169.8 | 171.9 | 0 | 0 | 111.8 | L760 Y766 Q767 I768 | L760-E764 PolarHBondContact O-N 2.86Å; E764-Y766 PolarHBondContact O-N 2.91Å; E764-Q767 PolarHBondContact O-N 3.43Å; E764-I768 WeakPolarHBondContact O-CG1 3.38Å; E764-I768 PolarHBondContact O-N 2.97Å |
| 765 | A | 76 | Confident | 79 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 50% | 0.496 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N761 Q762 F763 Q767 I768 S769 | N761-A765 PolarHBondContact O-N 3.25Å; N761-A765 VanDerWaalsContact O-N 3.08Å; Q762-A765 PolarHBondContact O-N 2.85Å; F763-A765 PolarHBondContact O-N 2.71Å; A765-Q767 VanDerWaalsContact C-N 3.34Å; A765-Q767 PolarHBondContact O-N 3Å; A765-I768 PolarHBondContact O-N 2.98Å; A765-S769 PolarHBondContact O-N 3.45Å |
| 766 | Y | 81.4 | Confident | 78.6 | Confident | 118 Ų | 118 | 81.6 Ų | 81.6 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.1 | -32.1 | 173.6 | -81.6 | -63.5 | 0 | 0 | 0 | 113.4 | Q762 F763 E764 N770 V877 | Q762-Y766 WeakPolarHBondContact O-CD2 3.31Å; Q762-Y766 PolarHBondContact O-N 3.45Å; F763-Y766 PolarHBondContact O-N 3.42Å; E764-Y766 PolarHBondContact O-N 2.91Å; Y766-N770 WeakPolarHBondContact O-CB 3.45Å; Y766-N770 PolarHBondContact O-N 3.1Å; Y766-N770 PolarHBondContact O-ND2 3.4Å; Y766-V877 HydrophobicContact CD1-CG1 4.43Å; Y766-V877 HydrophobicContact CD1-CG2 4.14Å; Y766-V877 HydrophobicContact CD2-CG1 3.94Å; Y766-V877 HydrophobicContact CE1-CG2 4.21Å; Y766-V877 HydrophobicContact CG-CG1 3.87Å; Y766-V877 HydrophobicContact CG-CG2 4.38Å |
| 767 | Q | 76.6 | Confident | 78.3 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 172.9 | -74.6 | -170.8 | 24.4 | 0 | 0 | 111.9 | F763 E764 A765 N770 Q771 | F763-Q767 WeakPolarHBondContact O-CG 3.31Å; F763-Q767 PolarHBondContact O-N 3.48Å; E764-Q767 PolarHBondContact O-N 3.43Å; A765-Q767 VanDerWaalsContact C-N 3.34Å; A765-Q767 PolarHBondContact O-N 3Å; Q767-N770 PolarHBondContact O-N 3.33Å; Q767-Q771 WeakPolarHBondContact O-CG 3.33Å; Q767-Q771 PolarHBondContact O-N 2.96Å |
| 768 | I | 76.9 | Confident | 78 | Confident | 96 Ų | 96 | 78.4 Ų | 78.4 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 176.3 | -67.5 | 164.7 | 0 | 0 | 0 | 110 | E764 A765 N770 Q771 E772 | E764-I768 WeakPolarHBondContact O-CG1 3.38Å; E764-I768 PolarHBondContact O-N 2.97Å; A765-I768 PolarHBondContact O-N 2.98Å; I768-N770 VanDerWaalsContact C-N 3.3Å; I768-N770 PolarHBondContact O-N 2.94Å; I768-Q771 WeakPolarHBondContact O-CB 3.29Å; I768-Q771 PolarHBondContact O-N 2.98Å; I768-E772 PolarHBondContact O-N 2.81Å |
| 769 | S | 73.9 | Confident | 77.7 | Confident | 62 Ų | 62 | 79.2 Ų | 79.2 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 177.8 | -173 | 0 | 0 | 0 | 0 | 112.8 | A765 E772 L773 | A765-S769 PolarHBondContact O-N 3.45Å; S769-E772 PolarHBondContact O-N 3.32Å; S769-L773 WeakPolarHBondContact O-CB 3.19Å; S769-L773 PolarHBondContact O-N 3.17Å |
| 770 | N | 77 | Confident | 77.3 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.6 | -33.8 | 172.8 | -93.9 | -70.7 | 0 | 0 | 0 | 113.6 | Y766 Q767 I768 L773 D774 Q870 | Y766-N770 WeakPolarHBondContact O-CB 3.45Å; Y766-N770 PolarHBondContact O-N 3.1Å; Y766-N770 PolarHBondContact O-ND2 3.4Å; Q767-N770 PolarHBondContact O-N 3.33Å; I768-N770 VanDerWaalsContact C-N 3.3Å; I768-N770 PolarHBondContact O-N 2.94Å; N770-L773 PolarHBondContact O-N 2.64Å; N770-D774 WeakPolarHBondContact O-CB 3.5Å; N770-D774 PolarHBondContact O-N 2.96Å; N770-Q870 PolarHBondContact O-NE2 3.35Å; N770-Q870 WeakPolarHBondContact OD1-CG 2.8Å; N770-Q870 PolarHBondContact OD1-NE2 3.27Å |
| 771 | Q | 78.1 | Confident | 76.9 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.1 | -38 | 174.4 | -69.9 | 170.9 | 31.6 | 0 | 0 | 111.4 | Q767 I768 L773 Y775 | Q767-Q771 WeakPolarHBondContact O-CG 3.33Å; Q767-Q771 PolarHBondContact O-N 2.96Å; I768-Q771 WeakPolarHBondContact O-CB 3.29Å; I768-Q771 PolarHBondContact O-N 2.98Å; Q771-L773 VanDerWaalsContact C-N 3.32Å; Q771-Y775 WeakPolarHBondContact O-CB 3.46Å; Q771-Y775 PolarHBondContact O-N 3.41Å |
| 772 | E | 77.6 | Confident | 76.6 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.6 | -36.3 | 172.7 | -66.6 | -177.5 | 147 | 0 | 0 | 112.1 | I768 S769 Y775 A776 | I768-E772 PolarHBondContact O-N 2.81Å; S769-E772 PolarHBondContact O-N 3.32Å; E772-Y775 WeakPolarHBondContact O-CB 3.26Å; E772-Y775 PolarHBondContact O-N 3.11Å; E772-A776 PolarHBondContact O-N 3.35Å |
| 773 | L | 76.2 | Confident | 76.3 | Confident | 55 Ų | 55 | 80 Ų | 80 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.4 | -37.1 | -179.5 | -153.6 | 140.3 | 0 | 0 | 0 | 112.7 | S769 N770 Q771 Y775 A776 I777 L866 Q870 | S769-L773 WeakPolarHBondContact O-CB 3.19Å; S769-L773 PolarHBondContact O-N 3.17Å; N770-L773 PolarHBondContact O-N 2.64Å; Q771-L773 VanDerWaalsContact C-N 3.32Å; L773-Y775 VanDerWaalsContact C-N 3.35Å; L773-A776 WeakPolarHBondContact O-CB 3.37Å; L773-A776 PolarHBondContact O-N 3.4Å; L773-I777 HydrophobicContact CD2-CD1 4.38Å; L773-I777 PolarHBondContact O-N 3.21Å; L773-L866 HydrophobicContact CD2-CD1 3.97Å; L773-L866 HydrophobicContact CD2-CG 4.05Å; L773-Q870 HydrophobicContact CD2-CB 3.74Å; L773-Q870 VanDerWaalsContact CD2-CD 3.49Å; L773-Q870 HydrophobicContact CD2-CG 3.76Å |
| 774 | D | 76.3 | Confident | 75.8 | Confident | 64 Ų | 64 | 78.7 Ų | 78.7 | 34% | 0.342 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 167.4 | 163.6 | 67.9 | 0 | 0 | 0 | 111.7 | N770 I777 K778 | N770-D774 WeakPolarHBondContact O-CB 3.5Å; N770-D774 PolarHBondContact O-N 2.96Å; D774-I777 PolarHBondContact O-N 2.84Å; D774-K778 WeakPolarHBondContact O-CG 3.26Å; D774-K778 PolarHBondContact O-N 2.9Å; D774-K778 VanDerWaalsContact OD1-CE 3.22Å; D774-K778 WeakPolarHBondContact OD1-CE 3.48Å; D774-K778 IonicContact OD1-NZ 3.34Å; D774-K778 PolarHBondContact OD1-NZ 3.43Å; D774-K778 IonicContact OD2-NZ 2.64Å; D774-K778 PolarHBondContact OD2-NZ 2.77Å |
| 775 | Y | 76.6 | Confident | 75.5 | Confident | 147 Ų | 147 | 76.5 Ų | 76.5 | 58% | 0.576 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 172 | -177.5 | -95.9 | 0 | 0 | 0 | 112 | Q771 E772 L773 K778 Q779 | Q771-Y775 WeakPolarHBondContact O-CB 3.46Å; Q771-Y775 PolarHBondContact O-N 3.41Å; E772-Y775 WeakPolarHBondContact O-CB 3.26Å; E772-Y775 PolarHBondContact O-N 3.11Å; L773-Y775 VanDerWaalsContact C-N 3.35Å; Y775-K778 PolarHBondContact O-N 2.91Å; Y775-Q779 HydrophobicContact CD1-CG 4.21Å; Y775-Q779 HydrophobicContact CE1-CG 3.88Å; Y775-Q779 VanDerWaalsContact CZ-NE2 3.34Å; Y775-Q779 WeakPolarHBondContact O-CG 3.45Å; Y775-Q779 PolarHBondContact O-N 3.34Å; Y775-Q779 PolarHBondContact OH-NE2 2.75Å |
| 776 | A | 73.8 | Confident | 75.2 | Confident | 44 Ų | 44 | 79.5 Ų | 79.5 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E772 L773 Q779 L780 | E772-A776 PolarHBondContact O-N 3.35Å; L773-A776 WeakPolarHBondContact O-CB 3.37Å; L773-A776 PolarHBondContact O-N 3.4Å; A776-Q779 PolarHBondContact O-N 3Å; A776-L780 PolarHBondContact O-N 2.79Å |
| 777 | I | 77.2 | Confident | 74.5 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 173.4 | -68.9 | 176.5 | 0 | 0 | 0 | 110.8 | L773 D774 Q779 L780 D781 L866 Q870 | L773-I777 HydrophobicContact CD2-CD1 4.38Å; L773-I777 PolarHBondContact O-N 3.21Å; D774-I777 PolarHBondContact O-N 2.84Å; I777-Q779 VanDerWaalsContact C-N 3.26Å; I777-Q779 PolarHBondContact O-N 2.74Å; I777-L780 WeakPolarHBondContact O-CB 3.44Å; I777-L780 PolarHBondContact O-N 2.69Å; I777-D781 PolarHBondContact O-N 2.82Å; I777-D781 VanDerWaalsContact O-N 3.12Å; I777-L866 HydrophobicContact CD1-CD2 4.44Å; I777-L866 HydrophobicContact CD1-CG 4.18Å; I777-L866 HydrophobicContact CG1-CD2 3.79Å; I777-L866 HydrophobicContact CG1-CG 4.08Å; I777-Q870 VanDerWaalsContact CD1-OE1 3.26Å |
| 778 | K | 77.1 | Confident | 74.1 | Confident | 106 Ų | 106 | 73.8 Ų | 73.8 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 174.7 | -74.8 | 159.8 | 178.8 | 157.7 | 0 | 112.9 | D774 Y775 D781 N782 | D774-K778 WeakPolarHBondContact O-CG 3.26Å; D774-K778 PolarHBondContact O-N 2.9Å; D774-K778 VanDerWaalsContact OD1-CE 3.22Å; D774-K778 WeakPolarHBondContact OD1-CE 3.48Å; D774-K778 IonicContact OD1-NZ 3.34Å; D774-K778 PolarHBondContact OD1-NZ 3.43Å; D774-K778 IonicContact OD2-NZ 2.64Å; D774-K778 PolarHBondContact OD2-NZ 2.77Å; Y775-K778 PolarHBondContact O-N 2.91Å; K778-D781 PolarHBondContact O-N 3.24Å; K778-N782 VanDerWaalsContact O-CG 3.3Å; K778-N782 PolarHBondContact O-N 3.37Å; K778-N782 PolarHBondContact O-ND2 3.21Å |
| 779 | Q | 75 | Confident | 73.9 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -73.5 | -26.3 | 172.6 | -65.5 | -66.4 | 15.9 | 0 | 0 | 113.3 | Y775 A776 I777 N782 F783 | Y775-Q779 HydrophobicContact CD1-CG 4.21Å; Y775-Q779 HydrophobicContact CE1-CG 3.88Å; Y775-Q779 VanDerWaalsContact CZ-NE2 3.34Å; Y775-Q779 WeakPolarHBondContact O-CG 3.45Å; Y775-Q779 PolarHBondContact O-N 3.34Å; Y775-Q779 PolarHBondContact OH-NE2 2.75Å; A776-Q779 PolarHBondContact O-N 3Å; I777-Q779 VanDerWaalsContact C-N 3.26Å; I777-Q779 PolarHBondContact O-N 2.74Å; Q779-N782 PolarHBondContact OE1-ND2 3.34Å; Q779-F783 WeakPolarHBondContact O-CB 3.24Å; Q779-F783 PolarHBondContact O-N 3.04Å |
| 780 | L | 73.2 | Confident | 73.8 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 168.8 | -69.5 | 171 | 0 | 0 | 0 | 111.9 | A776 I777 F783 A784 L866 | A776-L780 PolarHBondContact O-N 2.79Å; I777-L780 WeakPolarHBondContact O-CB 3.44Å; I777-L780 PolarHBondContact O-N 2.69Å; L780-F783 PolarHBondContact O-N 3.1Å; L780-A784 WeakPolarHBondContact O-CB 3.44Å; L780-A784 PolarHBondContact O-N 3.28Å; L780-L866 HydrophobicContact CD1-CD2 4.23Å |
| 781 | D | 72.8 | Confident | 73.5 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 172.8 | -85.5 | -23.4 | 0 | 0 | 0 | 112.4 | I777 K778 F783 A784 S785 K863 | I777-D781 PolarHBondContact O-N 2.82Å; I777-D781 VanDerWaalsContact O-N 3.12Å; K778-D781 PolarHBondContact O-N 3.24Å; D781-F783 VanDerWaalsContact C-N 3.35Å; D781-A784 PolarHBondContact O-N 2.89Å; D781-S785 PolarHBondContact O-N 2.86Å; D781-S785 PolarHBondContact O-OG 2.87Å; D781-K863 WeakPolarHBondContact OD1-CD 3.43Å; D781-K863 VanDerWaalsContact OD1-CE 3.26Å; D781-K863 WeakPolarHBondContact OD1-CE 3.33Å; D781-K863 IonicContact OD1-NZ 2.7Å; D781-K863 PolarHBondContact OD1-NZ 3.11Å; D781-K863 IonicContact OD2-NZ 3.31Å |
| 782 | N | 73.3 | Confident | 73.3 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 170.5 | -69.6 | -23.3 | 0 | 0 | 0 | 111.3 | K778 Q779 S785 L786 | K778-N782 VanDerWaalsContact O-CG 3.3Å; K778-N782 PolarHBondContact O-N 3.37Å; K778-N782 PolarHBondContact O-ND2 3.21Å; Q779-N782 PolarHBondContact OE1-ND2 3.34Å; N782-S785 WeakPolarHBondContact CA-OG 3.33Å; N782-S785 PolarHBondContact O-N 3.29Å; N782-S785 PolarHBondContact O-OG 3.48Å; N782-S785 VanDerWaalsContact O-OG 3.07Å; N782-L786 VanDerWaalsContact O-CB 3.24Å; N782-L786 WeakPolarHBondContact O-CB 3.49Å; N782-L786 WeakPolarHBondContact O-CD1 3.37Å; N782-L786 WeakPolarHBondContact O-CG 3.43Å; N782-L786 PolarHBondContact O-N 3.04Å |
| 783 | F | 72.4 | Confident | 73 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 55% | 0.548 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.3 | -175.9 | -98.3 | 0 | 0 | 0 | 112.3 | Q779 L780 D781 S785 L786 S787 V859 | Q779-F783 WeakPolarHBondContact O-CB 3.24Å; Q779-F783 PolarHBondContact O-N 3.04Å; L780-F783 PolarHBondContact O-N 3.1Å; D781-F783 VanDerWaalsContact C-N 3.35Å; F783-S785 PolarHBondContact O-N 2.73Å; F783-L786 PolarHBondContact O-N 2.87Å; F783-S787 WeakPolarHBondContact O-CB 3.4Å; F783-S787 PolarHBondContact O-N 3.46Å; F783-S787 PolarHBondContact O-OG 3.48Å; F783-V859 HydrophobicContact CD1-CG2 4.33Å; F783-V859 HydrophobicContact CE1-CG2 4.43Å |
| 784 | A | 69.8 | Low | 72.8 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L780 D781 S787 S788 V859 | L780-A784 WeakPolarHBondContact O-CB 3.44Å; L780-A784 PolarHBondContact O-N 3.28Å; D781-A784 PolarHBondContact O-N 2.89Å; A784-S787 PolarHBondContact O-N 2.82Å; A784-S787 PolarHBondContact O-OG 3.32Å; A784-S788 PolarHBondContact O-N 3.5Å; A784-V859 HydrophobicContact CB-CG1 4.15Å |
| 785 | S | 73.8 | Confident | 72.6 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 178 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | D781 N782 F783 S787 S788 G789 | D781-S785 PolarHBondContact O-N 2.86Å; D781-S785 PolarHBondContact O-OG 2.87Å; N782-S785 WeakPolarHBondContact CA-OG 3.33Å; N782-S785 PolarHBondContact O-N 3.29Å; N782-S785 PolarHBondContact O-OG 3.48Å; N782-S785 VanDerWaalsContact O-OG 3.07Å; F783-S785 PolarHBondContact O-N 2.73Å; S785-S787 VanDerWaalsContact C-N 3.35Å; S785-S788 PolarHBondContact O-N 2.84Å; S785-S788 PolarHBondContact O-OG 2.78Å; S785-S788 VanDerWaalsContact O-OG 3.12Å; S785-G789 PolarHBondContact O-N 2.85Å |
| 786 | L | 70.8 | Confident | 72.5 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 64% | 0.644 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 171.6 | -75.3 | 167 | 0 | 0 | 0 | 112.1 | N782 F783 G789 F790 | N782-L786 VanDerWaalsContact O-CB 3.24Å; N782-L786 WeakPolarHBondContact O-CB 3.49Å; N782-L786 WeakPolarHBondContact O-CD1 3.37Å; N782-L786 WeakPolarHBondContact O-CG 3.43Å; N782-L786 PolarHBondContact O-N 3.04Å; F783-L786 PolarHBondContact O-N 2.87Å; L786-G789 PolarHBondContact O-N 3.38Å; L786-F790 VanDerWaalsContact O-CB 3.31Å; L786-F790 WeakPolarHBondContact O-CB 3.49Å; L786-F790 PolarHBondContact O-N 2.9Å |
| 787 | S | 66 | Low | 72.5 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | F783 A784 S785 V791 | F783-S787 WeakPolarHBondContact O-CB 3.4Å; F783-S787 PolarHBondContact O-N 3.46Å; F783-S787 PolarHBondContact O-OG 3.48Å; A784-S787 PolarHBondContact O-N 2.82Å; A784-S787 PolarHBondContact O-OG 3.32Å; S785-S787 VanDerWaalsContact C-N 3.35Å; S787-V791 WeakPolarHBondContact O-CG2 3.49Å; S787-V791 PolarHBondContact O-N 3.49Å |
| 788 | S | 68.7 | Low | 72.2 | Confident | 57 Ų | 57 | 74.9 Ų | 74.9 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.2 | -34.9 | 175.5 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | A784 S785 H792 | A784-S788 PolarHBondContact O-N 3.5Å; S785-S788 PolarHBondContact O-N 2.84Å; S785-S788 PolarHBondContact O-OG 2.78Å; S785-S788 VanDerWaalsContact O-OG 3.12Å; S788-H792 WeakPolarHBondContact O-CB 3.42Å; S788-H792 PolarHBondContact O-N 2.9Å; S788-H792 VanDerWaalsContact O-N 3.09Å |
| 789 | G | 72.4 | Confident | 72.2 | Confident | 27 Ų | 27 | 75.8 Ų | 75.8 | 28% | 0.278 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.6 | -51.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S785 L786 V791 H792 D793 | S785-G789 PolarHBondContact O-N 2.85Å; L786-G789 PolarHBondContact O-N 3.38Å; G789-V791 PolarHBondContact O-N 3.35Å; G789-H792 PolarHBondContact O-N 3.46Å; G789-H792 VanDerWaalsContact O-N 3.11Å; G789-D793 PolarHBondContact O-N 3.35Å |
| 790 | F | 71.4 | Confident | 72.2 | Confident | 129 Ų | 129 | 74.4 Ų | 74.4 | 57% | 0.566 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.9 | -48.3 | 178.9 | 177.7 | -100.1 | 0 | 0 | 0 | 112.3 | L786 H792 D793 E794 | L786-F790 VanDerWaalsContact O-CB 3.31Å; L786-F790 WeakPolarHBondContact O-CB 3.49Å; L786-F790 PolarHBondContact O-N 2.9Å; F790-H792 VanDerWaalsContact C-N 3.31Å; F790-H792 PolarHBondContact O-N 2.84Å; F790-D793 PolarHBondContact O-N 2.82Å; F790-E794 WeakPolarHBondContact O-CB 3.35Å; F790-E794 PolarHBondContact O-N 3.16Å |
| 791 | V | 70.6 | Confident | 72.2 | Confident | 30 Ų | 30 | 74.8 Ų | 74.8 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | S787 G789 M795 | S787-V791 WeakPolarHBondContact O-CG2 3.49Å; S787-V791 PolarHBondContact O-N 3.49Å; G789-V791 PolarHBondContact O-N 3.35Å; V791-M795 HydrophobicContact CG1-SD 4.06Å; V791-M795 WeakPolarHBondContact O-CB 3.3Å; V791-M795 WeakPolarHBondContact O-CG 3.46Å; V791-M795 PolarHBondContact O-N 3.22Å |
| 792 | H | 74 | Confident | 72.1 | Confident | 108 Ų | 108 | 77 Ų | 77 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 179.4 | -180 | 58.6 | 0 | 0 | 0 | 113.5 | S788 G789 F790 K796 | S788-H792 WeakPolarHBondContact O-CB 3.42Å; S788-H792 PolarHBondContact O-N 2.9Å; S788-H792 VanDerWaalsContact O-N 3.09Å; G789-H792 PolarHBondContact O-N 3.46Å; G789-H792 VanDerWaalsContact O-N 3.11Å; F790-H792 VanDerWaalsContact C-N 3.31Å; F790-H792 PolarHBondContact O-N 2.84Å; H792-K796 PolarHBondContact CD2-NZ 3.3Å; H792-K796 WeakPolarHBondContact NE2-CE 3.47Å; H792-K796 PolarHBondContact NE2-NZ 3.42Å; H792-K796 WeakPolarHBondContact O-CG 3.46Å; H792-K796 PolarHBondContact O-N 3.24Å |
| 793 | D | 71.9 | Confident | 72.1 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -78.2 | -33.7 | 177.8 | -72.5 | -27 | 0 | 0 | 0 | 112.3 | G789 F790 K796 H797 | G789-D793 PolarHBondContact O-N 3.35Å; F790-D793 PolarHBondContact O-N 2.82Å; D793-K796 WeakPolarHBondContact O-CB 3.3Å; D793-K796 PolarHBondContact O-N 3.46Å; D793-K796 VanDerWaalsContact O-N 3.11Å; D793-K796 IonicContact OD1-NZ 2.81Å; D793-K796 PolarHBondContact OD1-NZ 2.87Å; D793-H797 PolarHBondContact O-N 2.73Å |
| 794 | E | 71.6 | Confident | 72.2 | Confident | 81 Ų | 81 | 77.6 Ų | 77.6 | 38% | 0.379 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 171.5 | -159.6 | 79.6 | 138.2 | 0 | 0 | 111.2 | F790 K796 H797 D798 | F790-E794 WeakPolarHBondContact O-CB 3.35Å; F790-E794 PolarHBondContact O-N 3.16Å; E794-K796 VanDerWaalsContact C-N 3.27Å; E794-K796 PolarHBondContact O-N 3.04Å; E794-H797 WeakPolarHBondContact O-CB 3.36Å; E794-H797 PolarHBondContact O-N 3.37Å; E794-D798 PolarHBondContact O-N 2.9Å |
| 795 | M | 71.6 | Confident | 72 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -34 | 169.7 | -73.4 | 168.6 | 83.3 | 0 | 0 | 112.6 | V791 M799 F845 | V791-M795 HydrophobicContact CG1-SD 4.06Å; V791-M795 WeakPolarHBondContact O-CB 3.3Å; V791-M795 WeakPolarHBondContact O-CG 3.46Å; V791-M795 PolarHBondContact O-N 3.22Å; M795-M799 WeakPolarHBondContact O-CB 3.34Å; M795-M799 PolarHBondContact O-N 3Å; M795-F845 HydrophobicContact CE-CE1 3.93Å; M795-F845 HydrophobicContact CE-CE2 4.41Å; M795-F845 HydrophobicContact CE-CZ 3.51Å; M795-F845 HydrophobicContact CG-CE2 4.15Å; M795-F845 HydrophobicContact CG-CZ 4.17Å |
| 796 | K | 76 | Confident | 72 | Confident | 104 Ų | 104 | 80.6 Ų | 80.6 | 45% | 0.452 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | 171.4 | -66.7 | 169 | -166 | 153.1 | 0 | 111.6 | H792 D793 E794 M799 A800 | H792-K796 PolarHBondContact CD2-NZ 3.3Å; H792-K796 WeakPolarHBondContact NE2-CE 3.47Å; H792-K796 PolarHBondContact NE2-NZ 3.42Å; H792-K796 WeakPolarHBondContact O-CG 3.46Å; H792-K796 PolarHBondContact O-N 3.24Å; D793-K796 WeakPolarHBondContact O-CB 3.3Å; D793-K796 PolarHBondContact O-N 3.46Å; D793-K796 VanDerWaalsContact O-N 3.11Å; D793-K796 IonicContact OD1-NZ 2.81Å; D793-K796 PolarHBondContact OD1-NZ 2.87Å; E794-K796 VanDerWaalsContact C-N 3.27Å; E794-K796 PolarHBondContact O-N 3.04Å; K796-M799 PolarHBondContact O-N 3.22Å; K796-A800 WeakPolarHBondContact O-CB 3.26Å; K796-A800 PolarHBondContact O-N 3.11Å |
| 797 | H | 73.7 | Confident | 72.1 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -48.5 | -179.3 | -164 | 65.2 | 0 | 0 | 0 | 111.4 | D793 E794 M799 A800 I801 | D793-H797 PolarHBondContact O-N 2.73Å; E794-H797 WeakPolarHBondContact O-CB 3.36Å; E794-H797 PolarHBondContact O-N 3.37Å; H797-M799 VanDerWaalsContact C-N 3.29Å; H797-M799 PolarHBondContact O-N 3Å; H797-A800 WeakPolarHBondContact O-CB 3.33Å; H797-A800 PolarHBondContact O-N 3.1Å; H797-A800 VanDerWaalsContact O-N 3.12Å; H797-I801 WeakPolarHBondContact O-CG1 3.13Å; H797-I801 PolarHBondContact O-N 3.03Å |
| 798 | D | 71.3 | Confident | 72.1 | Confident | 31 Ų | 31 | 81.6 Ų | 81.6 | 17% | 0.166 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.6 | -43.6 | 171.9 | -94 | -10.1 | 0 | 0 | 0 | 111.6 | E794 A800 I801 Q802 | E794-D798 PolarHBondContact O-N 2.9Å; D798-A800 PolarHBondContact O-N 3.37Å; D798-I801 PolarHBondContact O-N 2.99Å; D798-Q802 WeakPolarHBondContact O-CG 3.16Å; D798-Q802 PolarHBondContact O-N 3.02Å |
| 799 | M | 75.3 | Confident | 71.8 | Confident | 125 Ų | 125 | 85.7 Ų | 85.7 | 62% | 0.616 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68 | -33.3 | 178.5 | -159.3 | 177.7 | -158.6 | 0 | 0 | 112.6 | M795 K796 H797 N803 | M795-M799 WeakPolarHBondContact O-CB 3.34Å; M795-M799 PolarHBondContact O-N 3Å; K796-M799 PolarHBondContact O-N 3.22Å; H797-M799 VanDerWaalsContact C-N 3.29Å; H797-M799 PolarHBondContact O-N 3Å; M799-N803 PolarHBondContact O-N 3.29Å; M799-N803 PolarHBondContact O-ND2 3.42Å |
| 800 | A | 74.9 | Confident | 71.7 | Confident | 51 Ų | 51 | 89 Ų | 89 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K796 H797 D798 Q802 N803 Q804 | K796-A800 WeakPolarHBondContact O-CB 3.26Å; K796-A800 PolarHBondContact O-N 3.11Å; H797-A800 WeakPolarHBondContact O-CB 3.33Å; H797-A800 PolarHBondContact O-N 3.1Å; H797-A800 VanDerWaalsContact O-N 3.12Å; D798-A800 PolarHBondContact O-N 3.37Å; A800-Q802 PolarHBondContact O-N 2.96Å; A800-N803 PolarHBondContact O-N 2.9Å; A800-Q804 WeakPolarHBondContact O-CB 3.19Å; A800-Q804 PolarHBondContact O-N 2.81Å |
| 801 | I | 73.4 | Confident | 71.3 | Confident | 55 Ų | 55 | 88.8 Ų | 88.8 | 28% | 0.282 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.8 | -69.2 | 166.3 | 0 | 0 | 0 | 110.7 | H797 D798 N803 Q804 M805 | H797-I801 WeakPolarHBondContact O-CG1 3.13Å; H797-I801 PolarHBondContact O-N 3.03Å; D798-I801 PolarHBondContact O-N 2.99Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 3.35Å; I801-Q804 PolarHBondContact O-N 3.3Å; I801-M805 HydrophobicContact CG2-CE 3.96Å; I801-M805 HydrophobicContact CG2-CG 4.46Å; I801-M805 HydrophobicContact CG2-SD 4.37Å; I801-M805 WeakPolarHBondContact O-CG 3.24Å; I801-M805 PolarHBondContact O-N 3.29Å |
| 802 | Q | 70.6 | Confident | 70.7 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 51% | 0.514 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.6 | -46 | 176.2 | -75.9 | -172.5 | -7.5 | 0 | 0 | 112.3 | D798 A800 A806 | D798-Q802 WeakPolarHBondContact O-CG 3.16Å; D798-Q802 PolarHBondContact O-N 3.02Å; A800-Q802 PolarHBondContact O-N 2.96Å; Q802-A806 PolarHBondContact O-N 3.01Å; Q802-A806 VanDerWaalsContact O-N 3.13Å |
| 803 | N | 74.9 | Confident | 69.9 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 58% | 0.578 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.6 | -40.2 | 177.9 | -75.8 | -54.2 | 0 | 0 | 0 | 112.4 | M799 A800 I801 A806 S807 | M799-N803 PolarHBondContact O-N 3.29Å; M799-N803 PolarHBondContact O-ND2 3.42Å; A800-N803 PolarHBondContact O-N 2.9Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 3.35Å; N803-A806 PolarHBondContact O-N 3.37Å; N803-S807 PolarHBondContact O-N 3.07Å; N803-S807 VanDerWaalsContact O-N 3.14Å |
| 804 | Q | 74.1 | Confident | 69.4 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 178.9 | -166.9 | 176.3 | -5.7 | 0 | 0 | 112 | A800 I801 A806 S807 Y808 | A800-Q804 WeakPolarHBondContact O-CB 3.19Å; A800-Q804 PolarHBondContact O-N 2.81Å; I801-Q804 PolarHBondContact O-N 3.3Å; Q804-A806 PolarHBondContact O-N 3.26Å; Q804-S807 WeakPolarHBondContact O-CB 3.22Å; Q804-S807 PolarHBondContact O-N 2.77Å; Q804-Y808 HydrophobicContact CG-CD2 4.15Å; Q804-Y808 HydrophobicContact CG-CE2 3.67Å; Q804-Y808 PolarHBondContact NE2-OH 3.45Å; Q804-Y808 VanDerWaalsContact O-CD2 3.31Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.37Å; Q804-Y808 PolarHBondContact O-N 3.02Å; Q804-Y808 VanDerWaalsContact O-N 3.08Å |
| 805 | M | 65.5 | Low | 68.6 | Low | 102 Ų | 102 | 99 Ų | 99 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 173.4 | -72 | -169.4 | 176.4 | 0 | 0 | 112.5 | I801 S807 Y808 R809 | I801-M805 HydrophobicContact CG2-CE 3.96Å; I801-M805 HydrophobicContact CG2-CG 4.46Å; I801-M805 HydrophobicContact CG2-SD 4.37Å; I801-M805 WeakPolarHBondContact O-CG 3.24Å; I801-M805 PolarHBondContact O-N 3.29Å; M805-S807 VanDerWaalsContact C-N 3.3Å; M805-S807 PolarHBondContact O-N 2.66Å; M805-Y808 PolarHBondContact O-N 3.22Å; M805-R809 PolarHBondContact O-N 3.44Å |
| 806 | A | 73.4 | Confident | 67.5 | Low | 42 Ų | 42 | 99.6 Ų | 99.6 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q802 N803 Q804 T810 | Q802-A806 PolarHBondContact O-N 3.01Å; Q802-A806 VanDerWaalsContact O-N 3.13Å; N803-A806 PolarHBondContact O-N 3.37Å; Q804-A806 PolarHBondContact O-N 3.26Å; A806-T810 PolarHBondContact O-N 3.34Å; A806-T810 PolarHBondContact O-OG1 2.93Å |
| 807 | S | 73.1 | Confident | 66.4 | Low | 61 Ų | 61 | 101.1 Ų | 101.1 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 172.5 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | N803 Q804 M805 R809 T810 Q811 | N803-S807 PolarHBondContact O-N 3.07Å; N803-S807 VanDerWaalsContact O-N 3.14Å; Q804-S807 WeakPolarHBondContact O-CB 3.22Å; Q804-S807 PolarHBondContact O-N 2.77Å; M805-S807 VanDerWaalsContact C-N 3.3Å; M805-S807 PolarHBondContact O-N 2.66Å; S807-R809 PolarHBondContact O-N 2.98Å; S807-T810 WeakPolarHBondContact O-CB 3.31Å; S807-T810 PolarHBondContact O-N 2.59Å; S807-Q811 PolarHBondContact O-N 3.42Å; S807-Q811 VanDerWaalsContact O-N 3.11Å |
| 808 | Y | 66.2 | Low | 65.5 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 45% | 0.447 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 178.6 | -72.8 | -56 | 0 | 0 | 0 | 113.2 | Q804 M805 T810 Q811 Y812 | Q804-Y808 HydrophobicContact CG-CD2 4.15Å; Q804-Y808 HydrophobicContact CG-CE2 3.67Å; Q804-Y808 PolarHBondContact NE2-OH 3.45Å; Q804-Y808 VanDerWaalsContact O-CD2 3.31Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.37Å; Q804-Y808 PolarHBondContact O-N 3.02Å; Q804-Y808 VanDerWaalsContact O-N 3.08Å; M805-Y808 PolarHBondContact O-N 3.22Å; Y808-T810 PolarHBondContact O-N 3.42Å; Y808-Q811 PolarHBondContact O-N 3.09Å; Y808-Q811 VanDerWaalsContact O-N 3.13Å; Y808-Y812 WeakPolarHBondContact O-CD2 3.3Å; Y808-Y812 PolarHBondContact O-N 3.08Å; Y808-Y812 VanDerWaalsContact O-N 3.07Å |
| 809 | R | 61.6 | Low | 64.5 | Low | 143 Ų | 143 | 108.8 Ų | 108.8 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -51.4 | -39.8 | 171.8 | -75.9 | -174.3 | -177.8 | 130.1 | 2.9 | 111.6 | M805 S807 G813 D834 | M805-R809 PolarHBondContact O-N 3.44Å; S807-R809 PolarHBondContact O-N 2.98Å; R809-G813 PolarHBondContact O-N 3.41Å; R809-D834 IonicContact CZ-OD1 3.73Å; R809-D834 IonicContact CZ-OD2 3Å; R809-D834 IonicContact NE-OD1 2.74Å; R809-D834 IonicContact NE-OD2 2.64Å; R809-D834 PolarHBondContact NE-OD2 3.5Å; R809-D834 VanDerWaalsContact NE-OD2 3.11Å; R809-D834 IonicContact NH2-OD1 3.3Å; R809-D834 PolarHBondContact NH2-OD1 3.16Å; R809-D834 IonicContact NH2-OD2 3.32Å; R809-D834 PolarHBondContact NH2-OD2 2.81Å; R809-D834 VanDerWaalsContact NH2-OD2 3.17Å |
| 810 | T | 69.8 | Low | 63.1 | Low | 97 Ų | 97 | 111.7 Ų | 111.7 | 60% | 0.595 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.2 | -33 | -178.2 | -52.3 | 0 | 0 | 0 | 0 | 113 | A806 S807 Y808 | A806-T810 PolarHBondContact O-N 3.34Å; A806-T810 PolarHBondContact O-OG1 2.93Å; S807-T810 WeakPolarHBondContact O-CB 3.31Å; S807-T810 PolarHBondContact O-N 2.59Å; Y808-T810 PolarHBondContact O-N 3.42Å |
| 811 | Q | 63.3 | Low | 62.1 | Low | 123 Ų | 123 | 114.5 Ų | 114.5 | 58% | 0.575 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.3 | -48.8 | 178.9 | -68 | -174.5 | -0.8 | 0 | 0 | 112.3 | S807 Y808 G813 K814 | S807-Q811 PolarHBondContact O-N 3.42Å; S807-Q811 VanDerWaalsContact O-N 3.11Å; Y808-Q811 PolarHBondContact O-N 3.09Å; Y808-Q811 VanDerWaalsContact O-N 3.13Å; Q811-G813 PolarHBondContact O-N 3.47Å; Q811-K814 PolarHBondContact O-N 2.88Å; Q811-K814 VanDerWaalsContact O-N 3.15Å |
| 812 | Y | 58 | Low | 61.2 | Low | 168 Ų | 168 | 117 Ų | 117 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.4 | -32 | 179 | -81.4 | -74.6 | 0 | 0 | 0 | 112.9 | Y808 K814 L815 | Y808-Y812 WeakPolarHBondContact O-CD2 3.3Å; Y808-Y812 PolarHBondContact O-N 3.08Å; Y808-Y812 VanDerWaalsContact O-N 3.07Å; Y812-K814 PolarHBondContact O-N 3.09Å; Y812-K814 VanDerWaalsContact O-N 3.17Å; Y812-L815 PolarHBondContact O-N 3.45Å |
| 813 | G | 58.6 | Low | 60.5 | Low | 42 Ų | 42 | 113.3 Ų | 113.3 | 43% | 0.433 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.8 | -18.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R809 Q811 | R809-G813 PolarHBondContact O-N 3.41Å; Q811-G813 PolarHBondContact O-N 3.47Å |
| 814 | K | 60.5 | Low | 59.8 | Low | 169 Ų | 169 | 113.8 Ų | 113.8 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -89 | -31.7 | 177.7 | -71.1 | -173.2 | 176.5 | -177.5 | 0 | 114 | Q811 Y812 L816 | Q811-K814 PolarHBondContact O-N 2.88Å; Q811-K814 VanDerWaalsContact O-N 3.15Å; Y812-K814 PolarHBondContact O-N 3.09Å; Y812-K814 VanDerWaalsContact O-N 3.17Å; K814-L816 VanDerWaalsContact C-N 3.27Å; K814-L816 PolarHBondContact O-N 2.92Å |
| 815 | L | 54.3 | Low | 59.4 | Low | 142 Ų | 142 | 117.8 Ų | 117.8 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -78.1 | -12.7 | 179.4 | -126.9 | 76.1 | 0 | 0 | 0 | 113.1 | Y812 N817 | Y812-L815 PolarHBondContact O-N 3.45Å; L815-N817 VanDerWaalsContact C-N 3.34Å; L815-N817 PolarHBondContact O-N 2.9Å |
| 816 | L | 50 | Low | 59 | Low | 89 Ų | 89 | 118.2 Ų | 118.2 | 47% | 0.466 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -79.5 | -8.3 | -173 | -101.7 | 162.7 | 0 | 0 | 0 | 115.2 | K814 E818 T823 | K814-L816 VanDerWaalsContact C-N 3.27Å; K814-L816 PolarHBondContact O-N 2.92Å; L816-E818 VanDerWaalsContact C-N 3.33Å; L816-E818 PolarHBondContact O-N 3.26Å; L816-T823 HydrophobicContact CD2-CG2 3.8Å |
| 817 | N | 52.2 | Low | 58.4 | Low | 136 Ų | 136 | 123.1 Ų | 123.1 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -81.5 | -4.2 | -174.6 | -71.3 | -13.5 | 0 | 0 | 0 | 114.6 | L815 | L815-N817 VanDerWaalsContact C-N 3.34Å; L815-N817 PolarHBondContact O-N 2.9Å |
| 818 | E | 55.4 | Low | 58.3 | Low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -108.1 | 0.1 | -174.1 | -62.1 | -175.2 | 150.2 | 0 | 0 | 114 | L816 | L816-E818 VanDerWaalsContact C-N 3.33Å; L816-E818 PolarHBondContact O-N 3.26Å |
| 819 | L | 49.1 | Very low | 58.5 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 67% | 0.665 | 64% | 0.638 | S | S | * | * | trans | -132.1 | 59.8 | -175 | -122.8 | 87.5 | 0 | 0 | 0 | 113.1 | S821 T823 | L819-S821 PolarHBondContact O-N 3.47Å; L819-T823 PolarHBondContact O-OG1 2.85Å | ||
| 820 | E | 46.6 | Very low | 58.5 | Low | 187 Ų | 187 | 125.5 Ų | 125.5 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -88.2 | 77.6 | -171.2 | -166.4 | 171.2 | -142 | 0 | 0 | 113.9 | ||||
| 821 | S | 53.4 | Low | 58.5 | Low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -160.5 | -51.6 | 167.3 | -172.6 | 0 | 0 | 0 | 0 | 113.3 | L819 T823 | L819-S821 PolarHBondContact O-N 3.47Å; S821-T823 PolarHBondContact N-OG1 2.92Å; S821-T823 PolarHBondContact O-N 3.18Å |
| 822 | T | 55.1 | Low | 59 | Low | 107 Ų | 107 | 121.7 Ų | 121.7 | 66% | 0.656 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -7.6 | 178.7 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | N824 | T822-N824 PolarHBondContact O-N 3.18Š|
| 823 | T | 54.4 | Low | 59.7 | Low | 33 Ų | 33 | 118.8 Ų | 118.8 | 20% | 0.202 | 63% | 0.629 | C | S | . | * | H | α-helix | trans | -66.2 | -35 | -162.6 | -21.2 | 0 | 0 | 0 | 0 | 114.2 | L816 L819 S821 K825 L826 K827 | L816-T823 HydrophobicContact CD2-CG2 3.8Å; L819-T823 PolarHBondContact O-OG1 2.85Å; S821-T823 PolarHBondContact N-OG1 2.92Å; S821-T823 PolarHBondContact O-N 3.18Å; T823-K825 PolarHBondContact O-N 3.03Å; T823-L826 PolarHBondContact O-N 3.48Å; T823-K827 PolarHBondContact O-N 3.37Å |
| 824 | N | 61.8 | Low | 60.1 | Low | 119 Ų | 119 | 120.3 Ų | 120.3 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.4 | -21 | -166.7 | -74.9 | -30.2 | 0 | 0 | 0 | 115.1 | T822 | T822-N824 PolarHBondContact O-N 3.18Å |
| 825 | K | 65.3 | Low | 60.8 | Low | 190 Ų | 190 | 117.2 Ų | 117.2 | 83% | 0.826 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.8 | -35.8 | 175.4 | -72.4 | -174.7 | 177.7 | -180 | 0 | 112.9 | T823 | T823-K825 PolarHBondContact O-N 3.03Å |
| 826 | L | 57 | Low | 61.8 | Low | 112 Ų | 112 | 116.2 Ų | 116.2 | 59% | 0.586 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 178 | -81.4 | 161.4 | 0 | 0 | 0 | 112.1 | T823 N828 L829 M830 | T823-L826 PolarHBondContact O-N 3.48Å; L826-N828 VanDerWaalsContact C-N 3.29Å; L826-N828 PolarHBondContact O-N 3.4Å; L826-L829 PolarHBondContact O-N 3.42Å; L826-M830 WeakPolarHBondContact O-CG 3.29Å; L826-M830 PolarHBondContact O-N 2.86Å; L826-M830 VanDerWaalsContact O-N 3.16Å |
| 827 | K | 61.6 | Low | 62.8 | Low | 144 Ų | 144 | 116 Ų | 116 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.3 | -39.9 | -175.2 | -150.6 | 170.6 | -171.4 | 173.7 | 0 | 113.3 | T823 | T823-K827 PolarHBondContact O-N 3.37Å |
| 828 | N | 70.8 | Confident | 63.7 | Low | 130 Ų | 130 | 113.3 Ų | 113.3 | 70% | 0.695 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.8 | -32.6 | 178.7 | -68.8 | 0.1 | 0 | 0 | 0 | 112.9 | L826 | L826-N828 VanDerWaalsContact C-N 3.29Å; L826-N828 PolarHBondContact O-N 3.4Å |
| 829 | L | 70.7 | Confident | 64.7 | Low | 113 Ų | 113 | 107.1 Ų | 107.1 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.4 | -42.8 | 178.3 | -137.4 | 83.6 | 0 | 0 | 0 | 111 | L826 A831 S832 H833 | L826-L829 PolarHBondContact O-N 3.42Å; L829-A831 PolarHBondContact O-N 2.83Å; L829-S832 PolarHBondContact O-N 2.84Å; L829-H833 PolarHBondContact O-CD2 3.37Å; L829-H833 PolarHBondContact O-N 3.49Å |
| 830 | M | 59.7 | Low | 65.9 | Low | 126 Ų | 126 | 106.4 Ų | 106.4 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.9 | -42.2 | -178.8 | -66.9 | 177.3 | 70.7 | 0 | 0 | 112.6 | L826 S832 H833 D834 | L826-M830 WeakPolarHBondContact O-CG 3.29Å; L826-M830 PolarHBondContact O-N 2.86Å; L826-M830 VanDerWaalsContact O-N 3.16Å; M830-S832 VanDerWaalsContact C-N 3.27Å; M830-S832 PolarHBondContact O-N 2.67Å; M830-H833 PolarHBondContact O-N 2.96Å; M830-D834 PolarHBondContact O-N 3.39Å; M830-D834 VanDerWaalsContact O-N 3.11Å |
| 831 | A | 71.3 | Confident | 67.1 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -31.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L829 T835 | L829-A831 PolarHBondContact O-N 2.83Å; A831-T835 PolarHBondContact O-OG1 3.44Å |
| 832 | S | 74.2 | Confident | 68.2 | Low | 75 Ų | 75 | 98.2 Ų | 98.2 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.9 | -34.4 | 177.1 | -166.1 | 0 | 0 | 0 | 0 | 112.8 | L829 M830 T835 | L829-S832 PolarHBondContact O-N 2.84Å; M830-S832 VanDerWaalsContact C-N 3.27Å; M830-S832 PolarHBondContact O-N 2.67Å; S832-T835 PolarHBondContact O-OG1 3.42Å |
| 833 | H | 72.3 | Confident | 69.2 | Low | 107 Ų | 107 | 95.8 Ų | 95.8 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.3 | -39.4 | 176.9 | -85.1 | -92.4 | 0 | 0 | 0 | 112.2 | L829 M830 T835 Q836 I837 | L829-H833 PolarHBondContact O-CD2 3.37Å; L829-H833 PolarHBondContact O-N 3.49Å; M830-H833 PolarHBondContact O-N 2.96Å; H833-T835 VanDerWaalsContact C-N 3.29Å; H833-T835 PolarHBondContact O-N 3.16Å; H833-Q836 PolarHBondContact O-N 2.88Å; H833-I837 WeakPolarHBondContact O-CG1 3.45Å; H833-I837 PolarHBondContact O-N 3.43Å; H833-I837 VanDerWaalsContact O-N 3.13Å |
| 834 | D | 66.9 | Low | 70.2 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 40% | 0.396 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | -178.8 | -111.5 | -0.5 | 0 | 0 | 0 | 112.6 | R809 M830 | R809-D834 IonicContact CZ-OD1 3.73Å; R809-D834 IonicContact CZ-OD2 3Å; R809-D834 IonicContact NE-OD1 2.74Å; R809-D834 IonicContact NE-OD2 2.64Å; R809-D834 PolarHBondContact NE-OD2 3.5Å; R809-D834 VanDerWaalsContact NE-OD2 3.11Å; R809-D834 IonicContact NH2-OD1 3.3Å; R809-D834 PolarHBondContact NH2-OD1 3.16Å; R809-D834 IonicContact NH2-OD2 3.32Å; R809-D834 PolarHBondContact NH2-OD2 2.81Å; R809-D834 VanDerWaalsContact NH2-OD2 3.17Å; M830-D834 PolarHBondContact O-N 3.39Å; M830-D834 VanDerWaalsContact O-N 3.11Å |
| 835 | T | 74.8 | Confident | 70.7 | Confident | 105 Ų | 105 | 100 Ų | 100 | 64% | 0.644 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.2 | -39.3 | 177.6 | 31 | 0 | 0 | 0 | 0 | 112.9 | A831 S832 H833 | A831-T835 PolarHBondContact O-OG1 3.44Å; S832-T835 PolarHBondContact O-OG1 3.42Å; H833-T835 VanDerWaalsContact C-N 3.29Å; H833-T835 PolarHBondContact O-N 3.16Å |
| 836 | Q | 74.6 | Confident | 71.2 | Confident | 121 Ų | 121 | 94.4 Ų | 94.4 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -50.1 | 178.9 | -174.2 | 174.5 | -9.6 | 0 | 0 | 111.9 | H833 S838 G839 E840 | H833-Q836 PolarHBondContact O-N 2.88Å; Q836-S838 VanDerWaalsContact C-N 3.31Å; Q836-S838 PolarHBondContact O-N 3.22Å; Q836-G839 PolarHBondContact O-N 2.93Å; Q836-E840 PolarHBondContact O-N 3.43Å |
| 837 | I | 71.9 | Confident | 72.2 | Confident | 84 Ų | 84 | 95.9 Ų | 95.9 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | -176.5 | -66.1 | 167.6 | 0 | 0 | 0 | 111.6 | H833 G839 E840 L841 | H833-I837 WeakPolarHBondContact O-CG1 3.45Å; H833-I837 PolarHBondContact O-N 3.43Å; H833-I837 VanDerWaalsContact O-N 3.13Å; I837-G839 PolarHBondContact O-N 2.97Å; I837-E840 PolarHBondContact O-N 2.92Å; I837-L841 HydrophobicContact CG2-CD1 4.06Å; I837-L841 PolarHBondContact O-N 3.33Å; I837-L841 VanDerWaalsContact O-N 3.14Å |
| 838 | S | 71.5 | Confident | 72.8 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.3 | -32.3 | -176.9 | -164.8 | 0 | 0 | 0 | 0 | 113.6 | Q836 | Q836-S838 VanDerWaalsContact C-N 3.31Å; Q836-S838 PolarHBondContact O-N 3.22Å |
| 839 | G | 76.8 | Confident | 72.9 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.3 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q836 I837 L841 S842 S843 | Q836-G839 PolarHBondContact O-N 2.93Å; I837-G839 PolarHBondContact O-N 2.97Å; G839-L841 PolarHBondContact O-N 2.94Å; G839-S842 PolarHBondContact O-N 3.33Å; G839-S843 PolarHBondContact O-N 3Å; G839-S843 VanDerWaalsContact O-N 3.07Å |
| 840 | E | 74.4 | Confident | 73.3 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | -178.8 | -159.8 | 120.4 | -132.2 | 0 | 0 | 112.2 | Q836 I837 S843 R844 | Q836-E840 PolarHBondContact O-N 3.43Å; I837-E840 PolarHBondContact O-N 2.92Å; E840-S843 PolarHBondContact O-N 3.34Å; E840-R844 PolarHBondContact O-N 3.4Å; E840-R844 VanDerWaalsContact O-N 3.12Å |
| 841 | L | 71.7 | Confident | 74 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 25% | 0.251 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.1 | -76.8 | 167.2 | 0 | 0 | 0 | 112.5 | I837 G839 S843 R844 F845 | I837-L841 HydrophobicContact CG2-CD1 4.06Å; I837-L841 PolarHBondContact O-N 3.33Å; I837-L841 VanDerWaalsContact O-N 3.14Å; G839-L841 PolarHBondContact O-N 2.94Å; L841-S843 VanDerWaalsContact C-N 3.27Å; L841-S843 PolarHBondContact O-N 3.49Å; L841-R844 WeakPolarHBondContact O-CB 3.42Å; L841-R844 PolarHBondContact O-N 3.34Å; L841-R844 VanDerWaalsContact O-N 3.1Å; L841-F845 PolarHBondContact O-N 3.38Å; L841-F845 VanDerWaalsContact O-N 3.11Å |
| 842 | S | 74.9 | Confident | 73.9 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 54% | 0.538 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 178 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | G839 R844 F845 S846 | G839-S842 PolarHBondContact O-N 3.33Å; S842-R844 VanDerWaalsContact C-N 3.34Å; S842-R844 PolarHBondContact O-N 3.06Å; S842-F845 PolarHBondContact O-N 3.34Å; S842-S846 PolarHBondContact O-N 2.84Å |
| 843 | S | 77.7 | Confident | 74.1 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -29.8 | 175.2 | -174.4 | 0 | 0 | 0 | 0 | 114 | G839 E840 L841 R847 | G839-S843 PolarHBondContact O-N 3Å; G839-S843 VanDerWaalsContact O-N 3.07Å; E840-S843 PolarHBondContact O-N 3.34Å; L841-S843 VanDerWaalsContact C-N 3.27Å; L841-S843 PolarHBondContact O-N 3.49Å; S843-R847 PolarHBondContact O-NE 2.95Å; S843-R847 PolarHBondContact OG-NH2 3.47Å |
| 844 | R | 74.6 | Confident | 74.2 | Confident | 154 Ų | 154 | 91.9 Ų | 91.9 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.2 | -43.9 | 171.4 | -76.2 | -177.6 | 168.6 | -153.3 | -2.8 | 111.8 | E840 L841 S842 S846 R847 L848 | E840-R844 PolarHBondContact O-N 3.4Å; E840-R844 VanDerWaalsContact O-N 3.12Å; L841-R844 WeakPolarHBondContact O-CB 3.42Å; L841-R844 PolarHBondContact O-N 3.34Å; L841-R844 VanDerWaalsContact O-N 3.1Å; S842-R844 VanDerWaalsContact C-N 3.34Å; S842-R844 PolarHBondContact O-N 3.06Å; R844-S846 PolarHBondContact O-N 3.08Å; R844-R847 PolarHBondContact O-N 3.2Å; R844-R847 VanDerWaalsContact O-N 3.12Å; R844-L848 PolarHBondContact O-N 2.97Å |
| 845 | F | 72.6 | Confident | 74.4 | Confident | 88 Ų | 88 | 90 Ų | 90 | 39% | 0.386 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | -174.7 | -154.7 | -89 | 0 | 0 | 0 | 112.8 | M795 L841 S842 T849 | M795-F845 HydrophobicContact CE-CE1 3.93Å; M795-F845 HydrophobicContact CE-CE2 4.41Å; M795-F845 HydrophobicContact CE-CZ 3.51Å; M795-F845 HydrophobicContact CG-CE2 4.15Å; M795-F845 HydrophobicContact CG-CZ 4.17Å; L841-F845 PolarHBondContact O-N 3.38Å; L841-F845 VanDerWaalsContact O-N 3.11Å; S842-F845 PolarHBondContact O-N 3.34Å; F845-T849 PolarHBondContact O-N 3.38Å; F845-T849 PolarHBondContact O-OG1 3.05Å |
| 846 | S | 75.4 | Confident | 74.3 | Confident | 71 Ų | 71 | 89.7 Ų | 89.7 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | S842 R844 L848 T849 E850 | S842-S846 PolarHBondContact O-N 2.84Å; R844-S846 PolarHBondContact O-N 3.08Å; S846-L848 PolarHBondContact O-N 3.04Å; S846-T849 WeakPolarHBondContact O-CB 3.36Å; S846-T849 PolarHBondContact O-N 3.12Å; S846-T849 VanDerWaalsContact O-N 3.16Å; S846-E850 PolarHBondContact O-N 2.9Å; S846-E850 VanDerWaalsContact O-N 3.1Å |
| 847 | R | 78.7 | Confident | 74.3 | Confident | 143 Ų | 143 | 86.7 Ų | 86.7 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | -178.2 | -76.1 | -178.5 | -86.1 | 173.8 | -10.8 | 112.8 | S843 R844 T849 E850 F851 | S843-R847 PolarHBondContact O-NE 2.95Å; S843-R847 PolarHBondContact OG-NH2 3.47Å; R844-R847 PolarHBondContact O-N 3.2Å; R844-R847 VanDerWaalsContact O-N 3.12Å; R847-T849 VanDerWaalsContact C-N 3.32Å; R847-T849 PolarHBondContact O-N 3.3Å; R847-E850 PolarHBondContact O-N 3.35Å; R847-F851 WeakPolarHBondContact O-CB 3.37Å; R847-F851 PolarHBondContact O-N 2.76Å |
| 848 | L | 72.5 | Confident | 74.6 | Confident | 73 Ų | 73 | 87 Ų | 87 | 38% | 0.382 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 173.6 | -74.8 | 167 | 0 | 0 | 0 | 111.9 | R844 S846 S852 | R844-L848 PolarHBondContact O-N 2.97Å; S846-L848 PolarHBondContact O-N 3.04Å; L848-S852 WeakPolarHBondContact O-CB 3.39Å; L848-S852 PolarHBondContact O-N 3.15Å |
| 849 | T | 74.2 | Confident | 74.7 | Confident | 45 Ų | 45 | 84.1 Ų | 84.1 | 28% | 0.276 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 179.5 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | F845 S846 R847 R853 | F845-T849 PolarHBondContact O-N 3.38Å; F845-T849 PolarHBondContact O-OG1 3.05Å; S846-T849 WeakPolarHBondContact O-CB 3.36Å; S846-T849 PolarHBondContact O-N 3.12Å; S846-T849 VanDerWaalsContact O-N 3.16Å; R847-T849 VanDerWaalsContact C-N 3.32Å; R847-T849 PolarHBondContact O-N 3.3Å; T849-R853 WeakPolarHBondContact O-CG 3.43Å; T849-R853 PolarHBondContact O-N 3.18Å |
| 850 | E | 78 | Confident | 74.6 | Confident | 136 Ų | 136 | 86.1 Ų | 86.1 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.5 | -44 | 176.5 | -68.7 | -176.5 | 144.7 | 0 | 0 | 112.1 | S846 R847 S852 R853 S854 | S846-E850 PolarHBondContact O-N 2.9Å; S846-E850 VanDerWaalsContact O-N 3.1Å; R847-E850 PolarHBondContact O-N 3.35Å; E850-S852 VanDerWaalsContact C-N 3.32Å; E850-S852 PolarHBondContact O-N 2.88Å; E850-R853 PolarHBondContact O-N 3.3Å; E850-S854 PolarHBondContact O-N 3.43Å |
| 851 | F | 75.8 | Confident | 74.9 | Confident | 142 Ų | 142 | 86 Ų | 86 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.1 | -41.8 | 177.3 | 177.9 | -102.2 | 0 | 0 | 0 | 112.5 | R847 S854 S855 | R847-F851 WeakPolarHBondContact O-CB 3.37Å; R847-F851 PolarHBondContact O-N 2.76Å; F851-S854 PolarHBondContact O-N 3.38Å; F851-S855 WeakPolarHBondContact O-CB 3.14Å; F851-S855 PolarHBondContact O-N 2.97Å; F851-S855 PolarHBondContact O-OG 3.48Å |
| 852 | S | 69.6 | Low | 75.1 | Confident | 25 Ų | 25 | 88.8 Ų | 88.8 | 18% | 0.175 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.3 | -51.8 | 175.1 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | L848 E850 S854 S855 Q856 | L848-S852 WeakPolarHBondContact O-CB 3.39Å; L848-S852 PolarHBondContact O-N 3.15Å; E850-S852 VanDerWaalsContact C-N 3.32Å; E850-S852 PolarHBondContact O-N 2.88Å; S852-S854 PolarHBondContact O-N 2.93Å; S852-S855 PolarHBondContact O-N 2.98Å; S852-Q856 WeakPolarHBondContact O-CB 3.41Å; S852-Q856 PolarHBondContact O-N 3.31Å |
| 853 | R | 76.5 | Confident | 75.1 | Confident | 179 Ų | 179 | 87.2 Ų | 87.2 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 179.3 | -70.1 | 175.1 | 178.7 | 170.4 | 0.7 | 112.8 | T849 E850 S857 | T849-R853 WeakPolarHBondContact O-CG 3.43Å; T849-R853 PolarHBondContact O-N 3.18Å; E850-R853 PolarHBondContact O-N 3.3Å; R853-S857 PolarHBondContact O-N 2.97Å |
| 854 | S | 76 | Confident | 75.1 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 178 | -166.5 | 0 | 0 | 0 | 0 | 111.3 | E850 F851 S852 S857 E858 | E850-S854 PolarHBondContact O-N 3.43Å; F851-S854 PolarHBondContact O-N 3.38Å; S852-S854 PolarHBondContact O-N 2.93Å; S854-S857 PolarHBondContact O-N 3.37Å; S854-E858 PolarHBondContact O-N 3.48Å |
| 855 | S | 70.9 | Confident | 75.3 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | -179.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | F851 S852 S857 E858 V859 | F851-S855 WeakPolarHBondContact O-CB 3.14Å; F851-S855 PolarHBondContact O-N 2.97Å; F851-S855 PolarHBondContact O-OG 3.48Å; S852-S855 PolarHBondContact O-N 2.98Å; S855-S857 VanDerWaalsContact C-N 3.29Å; S855-S857 PolarHBondContact O-N 3.39Å; S855-E858 PolarHBondContact O-N 3.42Å; S855-V859 WeakPolarHBondContact O-CG2 3.45Å; S855-V859 PolarHBondContact O-N 3.46Å; S855-V859 VanDerWaalsContact O-N 3.11Å |
| 856 | Q | 71.9 | Confident | 75.4 | Confident | 97 Ų | 97 | 81 Ų | 81 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.1 | -33.4 | 179.2 | -164.9 | 174.1 | 16.4 | 0 | 0 | 112.6 | S852 E860 | S852-Q856 WeakPolarHBondContact O-CB 3.41Å; S852-Q856 PolarHBondContact O-N 3.31Å; Q856-E860 PolarHBondContact O-N 3.46Å |
| 857 | S | 75.3 | Confident | 75.4 | Confident | 58 Ų | 58 | 79.7 Ų | 79.7 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 175.9 | -169.6 | 0 | 0 | 0 | 0 | 112.8 | R853 S854 S855 K861 | R853-S857 PolarHBondContact O-N 2.97Å; S854-S857 PolarHBondContact O-N 3.37Å; S855-S857 VanDerWaalsContact C-N 3.29Å; S855-S857 PolarHBondContact O-N 3.39Å; S857-K861 WeakPolarHBondContact O-CG 3.43Å; S857-K861 PolarHBondContact O-N 3.18Å |
| 858 | E | 78 | Confident | 75.5 | Confident | 92 Ų | 92 | 78 Ų | 78 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.6 | -36.4 | 178.5 | -65.4 | -51.6 | 132.7 | 0 | 0 | 112.7 | S854 S855 E860 K861 L862 | S854-E858 PolarHBondContact O-N 3.48Å; S855-E858 PolarHBondContact O-N 3.42Å; E858-E860 PolarHBondContact O-N 3.3Å; E858-K861 PolarHBondContact O-N 3.26Å; E858-K861 IonicContact OE1-NZ 2.69Å; E858-K861 PolarHBondContact OE1-NZ 3.29Å; E858-K861 IonicContact OE2-NZ 3.11Å; E858-L862 WeakPolarHBondContact O-CG 3.38Å; E858-L862 PolarHBondContact O-N 3Å |
| 859 | V | 73.9 | Confident | 75.9 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | F783 A784 S855 L862 K863 | F783-V859 HydrophobicContact CD1-CG2 4.33Å; F783-V859 HydrophobicContact CE1-CG2 4.43Å; A784-V859 HydrophobicContact CB-CG1 4.15Å; S855-V859 WeakPolarHBondContact O-CG2 3.45Å; S855-V859 PolarHBondContact O-N 3.46Å; S855-V859 VanDerWaalsContact O-N 3.11Å; V859-L862 PolarHBondContact O-N 3.26Å; V859-K863 VanDerWaalsContact O-CB 3.25Å; V859-K863 WeakPolarHBondContact O-CB 3.44Å; V859-K863 PolarHBondContact O-N 2.92Å |
| 860 | E | 73.8 | Confident | 76 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.6 | -32.3 | 176.7 | -77.8 | -65.5 | 164.9 | 0 | 0 | 113.2 | Q856 E858 K863 S864 | Q856-E860 PolarHBondContact O-N 3.46Å; E858-E860 PolarHBondContact O-N 3.3Å; E860-K863 IonicContact OE1-NZ 3.39Å; E860-K863 PolarHBondContact OE1-NZ 3.07Å; E860-K863 WeakPolarHBondContact OE2-CD 3.41Å; E860-K863 WeakPolarHBondContact OE2-CE 3.14Å; E860-K863 IonicContact OE2-NZ 3.97Å; E860-K863 PolarHBondContact OE2-NZ 3.07Å; E860-S864 WeakPolarHBondContact O-CB 3.49Å; E860-S864 PolarHBondContact O-N 3Å; E860-S864 PolarHBondContact O-OG 3.42Å |
| 861 | K | 81.4 | Confident | 75.9 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 47% | 0.47 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 170.6 | -69.7 | 169.9 | -165.2 | 172.5 | 0 | 111.8 | S857 E858 S864 S865 | S857-K861 WeakPolarHBondContact O-CG 3.43Å; S857-K861 PolarHBondContact O-N 3.18Å; E858-K861 PolarHBondContact O-N 3.26Å; E858-K861 IonicContact OE1-NZ 2.69Å; E858-K861 PolarHBondContact OE1-NZ 3.29Å; E858-K861 IonicContact OE2-NZ 3.11Å; K861-S864 PolarHBondContact O-OG 3.02Å; K861-S864 VanDerWaalsContact O-OG 3.14Å; K861-S865 VanDerWaalsContact O-CB 3.28Å; K861-S865 WeakPolarHBondContact O-CB 3.39Å; K861-S865 PolarHBondContact O-N 3.3Å |
| 862 | L | 74.7 | Confident | 76.3 | Confident | 107 Ų | 107 | 79.6 Ų | 79.6 | 56% | 0.56 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.3 | -46.4 | 178.3 | -72.8 | 170 | 0 | 0 | 0 | 111.5 | E858 V859 S865 L866 | E858-L862 WeakPolarHBondContact O-CG 3.38Å; E858-L862 PolarHBondContact O-N 3Å; V859-L862 PolarHBondContact O-N 3.26Å; L862-S865 PolarHBondContact O-N 2.77Å; L862-L866 VanDerWaalsContact O-CB 3.28Å; L862-L866 WeakPolarHBondContact O-CB 3.5Å; L862-L866 PolarHBondContact O-N 3Å |
| 863 | K | 75.8 | Confident | 76.7 | Confident | 44 Ų | 44 | 82.8 Ų | 82.8 | 19% | 0.191 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.2 | -51.6 | 176.2 | 170.8 | 175.8 | 156 | -168.6 | 0 | 112.2 | D781 V859 E860 L866 S867 | D781-K863 WeakPolarHBondContact OD1-CD 3.43Å; D781-K863 VanDerWaalsContact OD1-CE 3.26Å; D781-K863 WeakPolarHBondContact OD1-CE 3.33Å; D781-K863 IonicContact OD1-NZ 2.7Å; D781-K863 PolarHBondContact OD1-NZ 3.11Å; D781-K863 IonicContact OD2-NZ 3.31Å; V859-K863 VanDerWaalsContact O-CB 3.25Å; V859-K863 WeakPolarHBondContact O-CB 3.44Å; V859-K863 PolarHBondContact O-N 2.92Å; E860-K863 IonicContact OE1-NZ 3.39Å; E860-K863 PolarHBondContact OE1-NZ 3.07Å; E860-K863 WeakPolarHBondContact OE2-CD 3.41Å; E860-K863 WeakPolarHBondContact OE2-CE 3.14Å; E860-K863 IonicContact OE2-NZ 3.97Å; E860-K863 PolarHBondContact OE2-NZ 3.07Å; K863-L866 PolarHBondContact O-N 3.32Å; K863-S867 WeakPolarHBondContact O-CB 3.34Å; K863-S867 PolarHBondContact O-N 3.09Å |
| 864 | S | 77.6 | Confident | 76.8 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | E860 K861 N868 | E860-S864 WeakPolarHBondContact O-CB 3.49Å; E860-S864 PolarHBondContact O-N 3Å; E860-S864 PolarHBondContact O-OG 3.42Å; K861-S864 PolarHBondContact O-OG 3.02Å; K861-S864 VanDerWaalsContact O-OG 3.14Å; S864-N868 WeakPolarHBondContact O-CB 3.4Å; S864-N868 PolarHBondContact O-N 2.83Å; S864-N868 VanDerWaalsContact O-N 3.09Å; S864-N868 PolarHBondContact O-ND2 3.11Å |
| 865 | S | 78.2 | Confident | 77.1 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 174.1 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | K861 L862 K869 | K861-S865 VanDerWaalsContact O-CB 3.28Å; K861-S865 WeakPolarHBondContact O-CB 3.39Å; K861-S865 PolarHBondContact O-N 3.3Å; L862-S865 PolarHBondContact O-N 2.77Å; S865-K869 VanDerWaalsContact O-CG 3.3Å; S865-K869 WeakPolarHBondContact O-CG 3.3Å; S865-K869 PolarHBondContact O-N 2.95Å |
| 866 | L | 75.2 | Confident | 77.7 | Confident | 55 Ų | 55 | 81 Ų | 81 | 29% | 0.288 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -74 | -44.8 | -179.8 | -172.8 | 58.8 | 0 | 0 | 0 | 111.6 | L773 I777 L780 L862 K863 K869 Q870 | L773-L866 HydrophobicContact CD2-CD1 3.97Å; L773-L866 HydrophobicContact CD2-CG 4.05Å; I777-L866 HydrophobicContact CD1-CD2 4.44Å; I777-L866 HydrophobicContact CD1-CG 4.18Å; I777-L866 HydrophobicContact CG1-CD2 3.79Å; I777-L866 HydrophobicContact CG1-CG 4.08Å; L780-L866 HydrophobicContact CD1-CD2 4.23Å; L862-L866 VanDerWaalsContact O-CB 3.28Å; L862-L866 WeakPolarHBondContact O-CB 3.5Å; L862-L866 PolarHBondContact O-N 3Å; K863-L866 PolarHBondContact O-N 3.32Å; L866-K869 PolarHBondContact O-N 2.85Å; L866-Q870 PolarHBondContact O-N 3.47Å |
| 867 | S | 76.5 | Confident | 78.1 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | K863 K869 Q870 E871 | K863-S867 WeakPolarHBondContact O-CB 3.34Å; K863-S867 PolarHBondContact O-N 3.09Å; S867-K869 VanDerWaalsContact C-N 3.26Å; S867-K869 PolarHBondContact O-N 3.33Å; S867-Q870 WeakPolarHBondContact O-CB 3.38Å; S867-Q870 PolarHBondContact O-N 2.98Å; S867-Q870 VanDerWaalsContact O-N 3.1Å; S867-E871 PolarHBondContact O-N 3.24Å |
| 868 | N | 80.5 | Confident | 78.4 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.9 | -32.4 | 178.7 | -71.2 | -17 | 0 | 0 | 0 | 112.6 | S864 K872 | S864-N868 WeakPolarHBondContact O-CB 3.4Å; S864-N868 PolarHBondContact O-N 2.83Å; S864-N868 VanDerWaalsContact O-N 3.09Å; S864-N868 PolarHBondContact O-ND2 3.11Å; N868-K872 PolarHBondContact O-N 3.44Å |
| 869 | K | 80.1 | Confident | 78.7 | Confident | 128 Ų | 128 | 78.9 Ų | 78.9 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -72.1 | -40.1 | 172.8 | -77.2 | 172.5 | 179.4 | 173.3 | 0 | 111.7 | S865 L866 S867 K872 I873 | S865-K869 VanDerWaalsContact O-CG 3.3Å; S865-K869 WeakPolarHBondContact O-CG 3.3Å; S865-K869 PolarHBondContact O-N 2.95Å; L866-K869 PolarHBondContact O-N 2.85Å; S867-K869 VanDerWaalsContact C-N 3.26Å; S867-K869 PolarHBondContact O-N 3.33Å; K869-K872 PolarHBondContact O-N 3.46Å; K869-I873 WeakPolarHBondContact O-CB 2.48Å; K869-I873 VanDerWaalsContact O-CG1 3.26Å; K869-I873 WeakPolarHBondContact O-CG1 3.34Å; K869-I873 PolarHBondContact O-N 2.9Å |
| 870 | Q | 76.5 | Confident | 79 | Confident | 28 Ų | 28 | 80.3 Ų | 80.3 | 13% | 0.131 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.6 | -50.3 | 178.5 | -172.2 | 175.1 | 12.6 | 0 | 0 | 111.6 | N770 L773 I777 L866 S867 K872 I873 L874 | N770-Q870 PolarHBondContact O-NE2 3.35Å; N770-Q870 WeakPolarHBondContact OD1-CG 2.8Å; N770-Q870 PolarHBondContact OD1-NE2 3.27Å; L773-Q870 HydrophobicContact CD2-CB 3.74Å; L773-Q870 VanDerWaalsContact CD2-CD 3.49Å; L773-Q870 HydrophobicContact CD2-CG 3.76Å; I777-Q870 VanDerWaalsContact CD1-OE1 3.26Å; L866-Q870 PolarHBondContact O-N 3.47Å; S867-Q870 WeakPolarHBondContact O-CB 3.38Å; S867-Q870 PolarHBondContact O-N 2.98Å; S867-Q870 VanDerWaalsContact O-N 3.1Å; Q870-K872 VanDerWaalsContact C-N 3.28Å; Q870-K872 PolarHBondContact O-N 3.45Å; Q870-I873 PolarHBondContact O-N 2.9Å; Q870-L874 VanDerWaalsContact O-CB 3.32Å; Q870-L874 WeakPolarHBondContact O-CB 3.46Å; Q870-L874 PolarHBondContact O-N 3.23Å |
| 871 | E | 76.9 | Confident | 79.4 | Confident | 135 Ų | 135 | 77.6 Ų | 77.6 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.4 | -41.8 | 178.2 | -70.8 | -168 | 157.3 | 0 | 0 | 111.6 | S867 H875 | S867-E871 PolarHBondContact O-N 3.24Å; E871-H875 VanDerWaalsContact O-CB 3.27Å; E871-H875 WeakPolarHBondContact O-CB 3.32Å; E871-H875 PolarHBondContact O-N 2.95Å |
| 872 | K | 83.7 | Confident | 79.4 | Confident | 138 Ų | 138 | 76.9 Ų | 76.9 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65 | -47.1 | 176.6 | -173.5 | 176.8 | 179 | -175.3 | 0 | 112.4 | N868 K869 Q870 L874 H875 D876 | N868-K872 PolarHBondContact O-N 3.44Å; K869-K872 PolarHBondContact O-N 3.46Å; Q870-K872 VanDerWaalsContact C-N 3.28Å; Q870-K872 PolarHBondContact O-N 3.45Å; K872-L874 VanDerWaalsContact C-N 3.35Å; K872-L874 PolarHBondContact O-N 2.95Å; K872-H875 PolarHBondContact O-N 3.34Å; K872-D876 VanDerWaalsContact CE-OD2 3.27Å; K872-D876 WeakPolarHBondContact CE-OD2 3.35Å; K872-D876 WeakPolarHBondContact CG-OD2 3.47Å; K872-D876 WeakPolarHBondContact O-CB 3.34Å; K872-D876 VanDerWaalsContact O-CG 3.26Å; K872-D876 PolarHBondContact O-N 3.34Å |
| 873 | I | 77.4 | Confident | 80 | Confident | 91 Ų | 91 | 74.9 Ų | 74.9 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.9 | -69.8 | 165.4 | 0 | 0 | 0 | 110.4 | K869 Q870 D876 V877 | K869-I873 WeakPolarHBondContact O-CB 2.48Å; K869-I873 VanDerWaalsContact O-CG1 3.26Å; K869-I873 WeakPolarHBondContact O-CG1 3.34Å; K869-I873 PolarHBondContact O-N 2.9Å; Q870-I873 PolarHBondContact O-N 2.9Å; I873-D876 PolarHBondContact O-N 3.45Å; I873-V877 HydrophobicContact CG2-CG2 4.23Å; I873-V877 VanDerWaalsContact O-CB 3.31Å; I873-V877 WeakPolarHBondContact O-CB 3.19Å; I873-V877 VanDerWaalsContact O-CG2 3.25Å; I873-V877 WeakPolarHBondContact O-CG2 3.11Å; I873-V877 PolarHBondContact O-N 2.9Å |
| 874 | L | 78.4 | Confident | 80.4 | Confident | 74 Ų | 74 | 76 Ų | 76 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 176.5 | -179.6 | 62.5 | 0 | 0 | 0 | 111.6 | Q870 K872 C878 | Q870-L874 VanDerWaalsContact O-CB 3.32Å; Q870-L874 WeakPolarHBondContact O-CB 3.46Å; Q870-L874 PolarHBondContact O-N 3.23Å; K872-L874 VanDerWaalsContact C-N 3.35Å; K872-L874 PolarHBondContact O-N 2.95Å; L874-C878 WeakPolarHBondContact O-CB 3.39Å; L874-C878 PolarHBondContact O-N 3.36Å; L874-C878 PolarHBondContact O-SG 3.3Å |
| 875 | H | 83 | Confident | 80.6 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 174.5 | 168.4 | -87 | 0 | 0 | 0 | 111.9 | E871 K872 C878 K879 | E871-H875 VanDerWaalsContact O-CB 3.27Å; E871-H875 WeakPolarHBondContact O-CB 3.32Å; E871-H875 PolarHBondContact O-N 2.95Å; K872-H875 PolarHBondContact O-N 3.34Å; H875-C878 PolarHBondContact O-N 3.47Å; H875-K879 WeakPolarHBondContact O-CB 3.3Å; H875-K879 PolarHBondContact O-N 3.22Å |
| 876 | D | 82.9 | Confident | 80.9 | Confident | 70 Ų | 70 | 76.8 Ų | 76.8 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -35.2 | -175.4 | -67.5 | -15.2 | 0 | 0 | 0 | 111.5 | K872 I873 A880 | K872-D876 VanDerWaalsContact CE-OD2 3.27Å; K872-D876 WeakPolarHBondContact CE-OD2 3.35Å; K872-D876 WeakPolarHBondContact CG-OD2 3.47Å; K872-D876 WeakPolarHBondContact O-CB 3.34Å; K872-D876 VanDerWaalsContact O-CG 3.26Å; K872-D876 PolarHBondContact O-N 3.34Å; I873-D876 PolarHBondContact O-N 3.45Å; D876-A880 WeakPolarHBondContact O-CB 3.43Å; D876-A880 PolarHBondContact O-N 3.44Å |
| 877 | V | 80.5 | Confident | 81.3 | Confident | 26 Ų | 26 | 77.1 Ų | 77.1 | 16% | 0.158 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69 | -46 | 172.7 | 169.2 | 0 | 0 | 0 | 0 | 112 | F763 Y766 I873 K879 A880 H881 | F763-V877 HydrophobicContact CD2-CG1 4.3Å; F763-V877 HydrophobicContact CE2-CG1 4.44Å; Y766-V877 HydrophobicContact CD1-CG1 4.43Å; Y766-V877 HydrophobicContact CD1-CG2 4.14Å; Y766-V877 HydrophobicContact CD2-CG1 3.94Å; Y766-V877 HydrophobicContact CE1-CG2 4.21Å; Y766-V877 HydrophobicContact CG-CG1 3.87Å; Y766-V877 HydrophobicContact CG-CG2 4.38Å; I873-V877 HydrophobicContact CG2-CG2 4.23Å; I873-V877 VanDerWaalsContact O-CB 3.31Å; I873-V877 WeakPolarHBondContact O-CB 3.19Å; I873-V877 VanDerWaalsContact O-CG2 3.25Å; I873-V877 WeakPolarHBondContact O-CG2 3.11Å; I873-V877 PolarHBondContact O-N 2.9Å; V877-K879 VanDerWaalsContact C-N 3.35Å; V877-K879 PolarHBondContact O-N 2.76Å; V877-A880 PolarHBondContact O-N 3.13Å; V877-H881 WeakPolarHBondContact O-CB 3.22Å; V877-H881 PolarHBondContact O-N 2.88Å |
| 878 | C | 80.5 | Confident | 81.7 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 27% | 0.27 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 175.6 | -73.3 | 0 | 0 | 0 | 0 | 111 | L874 H875 A880 H881 D882 | L874-C878 WeakPolarHBondContact O-CB 3.39Å; L874-C878 PolarHBondContact O-N 3.36Å; L874-C878 PolarHBondContact O-SG 3.3Å; H875-C878 PolarHBondContact O-N 3.47Å; C878-A880 VanDerWaalsContact C-N 3.32Å; C878-A880 PolarHBondContact O-N 2.98Å; C878-H881 PolarHBondContact O-N 2.87Å; C878-D882 WeakPolarHBondContact O-CB 3.32Å; C878-D882 VanDerWaalsContact O-CG 3.29Å; C878-D882 PolarHBondContact O-N 3.48Å |
| 879 | K | 85.4 | Confident | 81.8 | Confident | 136 Ų | 136 | 75.1 Ų | 75.1 | 59% | 0.591 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62 | -37 | 176.9 | -175.7 | 177.4 | 177.4 | -177.7 | 0 | 112.7 | H875 V877 S883 | H875-K879 WeakPolarHBondContact O-CB 3.3Å; H875-K879 PolarHBondContact O-N 3.22Å; V877-K879 VanDerWaalsContact C-N 3.35Å; V877-K879 PolarHBondContact O-N 2.76Å; K879-S883 VanDerWaalsContact O-CB 3.23Å; K879-S883 WeakPolarHBondContact O-CB 3.46Å; K879-S883 PolarHBondContact O-N 3.34Å |
| 880 | A | 80 | Confident | 82.1 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D876 V877 C878 S883 N884 | D876-A880 WeakPolarHBondContact O-CB 3.43Å; D876-A880 PolarHBondContact O-N 3.44Å; V877-A880 PolarHBondContact O-N 3.13Å; C878-A880 VanDerWaalsContact C-N 3.32Å; C878-A880 PolarHBondContact O-N 2.98Å; A880-S883 PolarHBondContact O-N 3.38Å; A880-N884 WeakPolarHBondContact O-CB 3.31Å; A880-N884 PolarHBondContact O-N 3.37Å; A880-N884 PolarHBondContact O-ND2 3.15Å; A880-N884 PolarHBondContact O-OD1 2.84Å |
| 881 | H | 82.4 | Confident | 82.4 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 175.4 | -178.9 | 75.9 | 0 | 0 | 0 | 111.3 | F763 V877 C878 S883 N884 M885 | F763-H881 AromaticContact CD1-CE1 3.89Å; F763-H881 AromaticContact CD1-NE2 3.82Å; F763-H881 HydrophobicContact CD2-CB 3.83Å; F763-H881 AromaticContact CD2-CG 3.69Å; F763-H881 AromaticContact CD2-ND1 3.91Å; F763-H881 HydrophobicContact CE2-CB 3.98Å; F763-H881 AromaticContact CE2-CG 3.98Å; F763-H881 HydrophobicContact CG-CB 4.46Å; F763-H881 AromaticContact CG-CE1 3.83Å; F763-H881 AromaticContact CG-CG 3.83Å; F763-H881 AromaticContact CG-ND1 3.65Å; V877-H881 WeakPolarHBondContact O-CB 3.22Å; V877-H881 PolarHBondContact O-N 2.88Å; C878-H881 PolarHBondContact O-N 2.87Å; H881-S883 VanDerWaalsContact C-N 3.34Å; H881-S883 PolarHBondContact O-N 3.07Å; H881-N884 PolarHBondContact O-N 2.8Å; H881-N884 VanDerWaalsContact O-N 3.14Å; H881-M885 WeakPolarHBondContact O-CB 3.49Å; H881-M885 VanDerWaalsContact O-CG 3.32Å; H881-M885 WeakPolarHBondContact O-CG 3.31Å; H881-M885 PolarHBondContact O-N 3.41Å |
| 882 | D | 82.1 | Confident | 82.8 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 176.6 | -69 | -22.3 | 0 | 0 | 0 | 111.8 | C878 N884 M885 I886 | C878-D882 WeakPolarHBondContact O-CB 3.32Å; C878-D882 VanDerWaalsContact O-CG 3.29Å; C878-D882 PolarHBondContact O-N 3.48Å; D882-N884 VanDerWaalsContact C-N 3.33Å; D882-N884 PolarHBondContact O-N 3.32Å; D882-M885 PolarHBondContact O-N 3.08Å; D882-I886 WeakPolarHBondContact O-CB 3.36Å; D882-I886 WeakPolarHBondContact O-CD1 3.48Å; D882-I886 VanDerWaalsContact O-CG1 3.23Å; D882-I886 WeakPolarHBondContact O-CG1 3.4Å; D882-I886 PolarHBondContact O-N 3.39Å |
| 883 | S | 85.9 | Confident | 82.9 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | K879 A880 H881 S887 | K879-S883 VanDerWaalsContact O-CB 3.23Å; K879-S883 WeakPolarHBondContact O-CB 3.46Å; K879-S883 PolarHBondContact O-N 3.34Å; A880-S883 PolarHBondContact O-N 3.38Å; H881-S883 VanDerWaalsContact C-N 3.34Å; H881-S883 PolarHBondContact O-N 3.07Å; S883-S887 WeakPolarHBondContact O-CB 3.48Å; S883-S887 PolarHBondContact O-N 3.3Å; S883-S887 VanDerWaalsContact O-N 3.08Å; S883-S887 PolarHBondContact O-OG 2.64Å |
| 884 | N | 84.2 | Confident | 83.2 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.6 | -39.1 | 179.2 | -67 | -9.1 | 0 | 0 | 0 | 111.5 | L759 A880 H881 D882 S887 I888 | L759-N884 HydrophobicContact CD1-CB 3.56Å; L759-N884 HydrophobicContact CD2-CB 4.37Å; A880-N884 WeakPolarHBondContact O-CB 3.31Å; A880-N884 PolarHBondContact O-N 3.37Å; A880-N884 PolarHBondContact O-ND2 3.15Å; A880-N884 PolarHBondContact O-OD1 2.84Å; H881-N884 PolarHBondContact O-N 2.8Å; H881-N884 VanDerWaalsContact O-N 3.14Å; D882-N884 VanDerWaalsContact C-N 3.33Å; D882-N884 PolarHBondContact O-N 3.32Å; N884-S887 CarbonylContact O-C 3.57Å; N884-S887 WeakPolarHBondContact O-CA 3.43Å; N884-S887 WeakPolarHBondContact O-CB 3.45Å; N884-S887 PolarHBondContact O-N 3.48Å; N884-S887 VanDerWaalsContact O-N 3.08Å; N884-I888 PolarHBondContact O-N 3.29Å |
| 885 | M | 82.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 20% | 0.197 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 173.3 | -70.4 | -55.5 | -66.2 | 0 | 0 | 112 | D756 H881 D882 S887 I888 N889 | D756-M885 WeakPolarHBondContact OD1-CE 3.31Å; H881-M885 WeakPolarHBondContact O-CB 3.49Å; H881-M885 VanDerWaalsContact O-CG 3.32Å; H881-M885 WeakPolarHBondContact O-CG 3.31Å; H881-M885 PolarHBondContact O-N 3.41Å; D882-M885 PolarHBondContact O-N 3.08Å; M885-S887 VanDerWaalsContact C-N 3.27Å; M885-S887 PolarHBondContact O-N 3.34Å; M885-I888 PolarHBondContact O-N 3.46Å; M885-N889 VanDerWaalsContact O-CB 3.31Å; M885-N889 WeakPolarHBondContact O-CB 3.37Å; M885-N889 PolarHBondContact O-N 3.29Å; M885-N889 PolarHBondContact O-ND2 2.95Å |
| 886 | I | 85 | Confident | 83.5 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 46% | 0.456 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 170.9 | -71.4 | 163.7 | 0 | 0 | 0 | 110.5 | D882 R890 | D882-I886 WeakPolarHBondContact O-CB 3.36Å; D882-I886 WeakPolarHBondContact O-CD1 3.48Å; D882-I886 VanDerWaalsContact O-CG1 3.23Å; D882-I886 WeakPolarHBondContact O-CG1 3.4Å; D882-I886 PolarHBondContact O-N 3.39Å; I886-R890 WeakPolarHBondContact O-CB 3.41Å; I886-R890 VanDerWaalsContact O-CG 3.31Å; I886-R890 WeakPolarHBondContact O-CG 3.42Å; I886-R890 PolarHBondContact O-N 2.88Å |
| 887 | S | 84.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | S883 N884 M885 R890 L891 | S883-S887 WeakPolarHBondContact O-CB 3.48Å; S883-S887 PolarHBondContact O-N 3.3Å; S883-S887 VanDerWaalsContact O-N 3.08Å; S883-S887 PolarHBondContact O-OG 2.64Å; N884-S887 CarbonylContact O-C 3.57Å; N884-S887 WeakPolarHBondContact O-CA 3.43Å; N884-S887 WeakPolarHBondContact O-CB 3.45Å; N884-S887 PolarHBondContact O-N 3.48Å; N884-S887 VanDerWaalsContact O-N 3.08Å; M885-S887 VanDerWaalsContact C-N 3.27Å; M885-S887 PolarHBondContact O-N 3.34Å; S887-R890 PolarHBondContact O-N 3.1Å; S887-L891 WeakPolarHBondContact O-CB 3.43Å; S887-L891 PolarHBondContact O-N 3.37Å |
| 888 | I | 83.6 | Confident | 83.7 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 173.2 | -71.6 | -172.1 | 0 | 0 | 0 | 111.2 | L755 D756 L759 N884 M885 R890 L891 K892 | L755-I888 HydrophobicContact CB-CD1 3.76Å; D756-I888 HydrophobicContact CB-CD1 4.21Å; D756-I888 HydrophobicContact CB-CG2 4.19Å; L759-I888 HydrophobicContact CD1-CD1 3.54Å; L759-I888 HydrophobicContact CD1-CG1 4.39Å; N884-I888 PolarHBondContact O-N 3.29Å; M885-I888 PolarHBondContact O-N 3.46Å; I888-R890 VanDerWaalsContact C-N 3.28Å; I888-R890 PolarHBondContact O-N 2.68Å; I888-L891 CarbonylContact O-C 3.59Å; I888-L891 WeakPolarHBondContact O-CA 3.46Å; I888-L891 PolarHBondContact O-N 3.06Å; I888-K892 HydrophobicContact CG2-CD 4.26Å; I888-K892 HydrophobicContact CG2-CG 4.3Å; I888-K892 WeakPolarHBondContact O-CG 3.47Å; I888-K892 PolarHBondContact O-N 3.44Å |
| 889 | N | 82.8 | Confident | 83.8 | Confident | 96 Ų | 96 | 72 Ų | 72 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 176.9 | -78.7 | -54.2 | 0 | 0 | 0 | 111.5 | M885 K892 E893 | M885-N889 VanDerWaalsContact O-CB 3.31Å; M885-N889 WeakPolarHBondContact O-CB 3.37Å; M885-N889 PolarHBondContact O-N 3.29Å; M885-N889 PolarHBondContact O-ND2 2.95Å; N889-K892 PolarHBondContact O-N 3.27Å; N889-E893 VanDerWaalsContact O-CB 3.26Å; N889-E893 WeakPolarHBondContact O-CB 3.42Å; N889-E893 PolarHBondContact O-N 2.67Å |
| 890 | R | 86.4 | Confident | 83.8 | Confident | 157 Ų | 157 | 71.8 Ų | 71.8 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | 170.4 | -76.6 | 171.9 | 174.4 | 171.4 | -0.2 | 113.1 | I886 S887 I888 E893 V894 | I886-R890 WeakPolarHBondContact O-CB 3.41Å; I886-R890 VanDerWaalsContact O-CG 3.31Å; I886-R890 WeakPolarHBondContact O-CG 3.42Å; I886-R890 PolarHBondContact O-N 2.88Å; S887-R890 PolarHBondContact O-N 3.1Å; I888-R890 VanDerWaalsContact C-N 3.28Å; I888-R890 PolarHBondContact O-N 2.68Å; R890-E893 PolarHBondContact O-N 3.06Å; R890-V894 WeakPolarHBondContact O-CB 3.41Å; R890-V894 VanDerWaalsContact O-CG2 3.28Å; R890-V894 WeakPolarHBondContact O-CG2 3.25Å; R890-V894 PolarHBondContact O-N 3.11Å |
| 891 | L | 83.8 | Confident | 84 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 37% | 0.372 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 177.8 | -169.4 | 147.1 | 0 | 0 | 0 | 111.5 | A752 S887 I888 T895 | A752-L891 HydrophobicContact CB-CD2 3.56Å; S887-L891 WeakPolarHBondContact O-CB 3.43Å; S887-L891 PolarHBondContact O-N 3.37Å; I888-L891 CarbonylContact O-C 3.59Å; I888-L891 WeakPolarHBondContact O-CA 3.46Å; I888-L891 PolarHBondContact O-N 3.06Å; L891-T895 VanDerWaalsContact O-CB 3.29Å; L891-T895 WeakPolarHBondContact O-CB 3.43Å; L891-T895 PolarHBondContact O-N 2.97Å; L891-T895 PolarHBondContact O-OG1 3.34Å |
| 892 | K | 84.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 73 Ų | 73 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 171.4 | -65.1 | -170.7 | -170.6 | -167.6 | 0 | 111.6 | A752 D753 D756 I888 N889 T895 N896 | A752-K892 HydrophobicContact CB-CG 3.92Å; D753-K892 WeakPolarHBondContact OD1-CE 3.48Å; D753-K892 IonicContact OD1-NZ 3.44Å; D753-K892 PolarHBondContact OD1-NZ 3.44Å; D756-K892 IonicContact OD2-NZ 3.58Å; D756-K892 PolarHBondContact OD2-NZ 2.86Å; I888-K892 HydrophobicContact CG2-CD 4.26Å; I888-K892 HydrophobicContact CG2-CG 4.3Å; I888-K892 WeakPolarHBondContact O-CG 3.47Å; I888-K892 PolarHBondContact O-N 3.44Å; N889-K892 PolarHBondContact O-N 3.27Å; K892-T895 PolarHBondContact O-N 3.4Å; K892-N896 VanDerWaalsContact O-CB 3.31Å; K892-N896 WeakPolarHBondContact O-CB 3.32Å; K892-N896 PolarHBondContact O-N 3.12Å; K892-N896 PolarHBondContact O-ND2 3.03Å |
| 893 | E | 85.3 | Confident | 84.1 | Confident | 125 Ų | 125 | 72.5 Ų | 72.5 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 173.6 | -179.1 | 179.8 | -156 | 0 | 0 | 112.1 | N889 R890 N896 T897 | N889-E893 VanDerWaalsContact O-CB 3.26Å; N889-E893 WeakPolarHBondContact O-CB 3.42Å; N889-E893 PolarHBondContact O-N 2.67Å; R890-E893 PolarHBondContact O-N 3.06Å; E893-N896 PolarHBondContact O-N 2.98Å; E893-T897 WeakPolarHBondContact O-CB 3.49Å; E893-T897 PolarHBondContact O-N 3.28Å; E893-T897 PolarHBondContact O-OG1 3.4Å |
| 894 | V | 84.5 | Confident | 84.1 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.4 | 169 | 0 | 0 | 0 | 0 | 111.1 | R890 N896 T897 V898 | R890-V894 WeakPolarHBondContact O-CB 3.41Å; R890-V894 VanDerWaalsContact O-CG2 3.28Å; R890-V894 WeakPolarHBondContact O-CG2 3.25Å; R890-V894 PolarHBondContact O-N 3.11Å; V894-N896 PolarHBondContact O-N 3.39Å; V894-T897 PolarHBondContact O-N 3.37Å; V894-V898 HydrophobicContact CG1-CG2 4.31Å; V894-V898 WeakPolarHBondContact O-CG2 3.2Å; V894-V898 PolarHBondContact O-N 2.87Å |
| 895 | T | 83.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.055 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | V745 L748 L891 K892 V898 S899 | V745-T895 HydrophobicContact CG1-CG2 4.36Å; L748-T895 HydrophobicContact CB-CG2 4.09Å; L891-T895 VanDerWaalsContact O-CB 3.29Å; L891-T895 WeakPolarHBondContact O-CB 3.43Å; L891-T895 PolarHBondContact O-N 2.97Å; L891-T895 PolarHBondContact O-OG1 3.34Å; K892-T895 PolarHBondContact O-N 3.4Å; T895-V898 PolarHBondContact O-N 3.33Å; T895-S899 VanDerWaalsContact O-CB 3.26Å; T895-S899 WeakPolarHBondContact O-CB 3.4Å; T895-S899 PolarHBondContact O-N 2.73Å |
| 896 | N | 84.2 | Confident | 84 | Confident | 106 Ų | 106 | 76 Ų | 76 | 57% | 0.567 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 173 | -72.8 | -25.4 | 0 | 0 | 0 | 112.2 | K892 E893 V894 S899 H900 | K892-N896 VanDerWaalsContact O-CB 3.31Å; K892-N896 WeakPolarHBondContact O-CB 3.32Å; K892-N896 PolarHBondContact O-N 3.12Å; K892-N896 PolarHBondContact O-ND2 3.03Å; E893-N896 PolarHBondContact O-N 2.98Å; V894-N896 PolarHBondContact O-N 3.39Å; N896-S899 PolarHBondContact O-N 2.93Å; N896-H900 WeakPolarHBondContact O-CB 3.5Å; N896-H900 PolarHBondContact O-N 3.02Å |
| 897 | T | 85.3 | Confident | 83.9 | Confident | 71 Ų | 71 | 73.5 Ų | 73.5 | 44% | 0.436 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | E893 V894 H900 N901 | E893-T897 WeakPolarHBondContact O-CB 3.49Å; E893-T897 PolarHBondContact O-N 3.28Å; E893-T897 PolarHBondContact O-OG1 3.4Å; V894-T897 PolarHBondContact O-N 3.37Å; T897-H900 PolarHBondContact O-N 3.49Å; T897-N901 VanDerWaalsContact O-CB 3.26Å; T897-N901 WeakPolarHBondContact O-CB 3.15Å; T897-N901 PolarHBondContact O-N 2.99Å; T897-N901 PolarHBondContact O-ND2 2.8Å |
| 898 | V | 82.6 | Confident | 83.9 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | V745 V894 T895 N901 H902 | V745-V898 HydrophobicContact CG2-CG1 3.86Å; V894-V898 HydrophobicContact CG1-CG2 4.31Å; V894-V898 WeakPolarHBondContact O-CG2 3.2Å; V894-V898 PolarHBondContact O-N 2.87Å; T895-V898 PolarHBondContact O-N 3.33Å; V898-N901 PolarHBondContact O-N 3.24Å; V898-H902 WeakPolarHBondContact O-CB 3.43Å; V898-H902 PolarHBondContact O-N 3.3Å |
| 899 | S | 82.9 | Confident | 83.8 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175.1 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | T895 N896 H902 E903 | T895-S899 VanDerWaalsContact O-CB 3.26Å; T895-S899 WeakPolarHBondContact O-CB 3.4Å; T895-S899 PolarHBondContact O-N 2.73Å; N896-S899 PolarHBondContact O-N 2.93Å; S899-H902 WeakPolarHBondContact O-CB 3.23Å; S899-H902 PolarHBondContact O-N 3.42Å; S899-E903 PolarHBondContact O-N 3.15Å |
| 900 | H | 85.3 | Confident | 83.7 | Confident | 130 Ų | 130 | 75.6 Ų | 75.6 | 60% | 0.602 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 176.4 | -178.1 | 70.9 | 0 | 0 | 0 | 112.2 | N896 T897 H902 K904 | N896-H900 WeakPolarHBondContact O-CB 3.5Å; N896-H900 PolarHBondContact O-N 3.02Å; T897-H900 PolarHBondContact O-N 3.49Å; H900-H902 VanDerWaalsContact C-N 3.31Å; H900-H902 PolarHBondContact O-N 2.83Å; H900-K904 WeakPolarHBondContact O-CB 3.29Å; H900-K904 PolarHBondContact O-N 3.09Å |
| 901 | N | 84.7 | Confident | 83.5 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.9 | -32.2 | 175.7 | -71.9 | -20.3 | 0 | 0 | 0 | 112.1 | T897 V898 L905 | T897-N901 VanDerWaalsContact O-CB 3.26Å; T897-N901 WeakPolarHBondContact O-CB 3.15Å; T897-N901 PolarHBondContact O-N 2.99Å; T897-N901 PolarHBondContact O-ND2 2.8Å; V898-N901 PolarHBondContact O-N 3.24Å; N901-L905 WeakPolarHBondContact O-CB 3.37Å; N901-L905 PolarHBondContact O-N 3.35Å |
| 902 | H | 83 | Confident | 83.5 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.065 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.3 | -55 | 174.7 | 171.1 | 74.9 | 0 | 0 | 0 | 111.2 | F738 Q742 V898 S899 H900 K904 L905 K906 | F738-H902 AromaticContact CD1-CE1 3.61Å; F738-H902 AromaticContact CD1-ND1 3.91Å; F738-H902 PolarHBondContact O-CE1 3.49Å; Q742-H902 PolarHBondContact OE1-CD2 3.39Å; Q742-H902 PolarHBondContact OE1-NE2 3.38Å; V898-H902 WeakPolarHBondContact O-CB 3.43Å; V898-H902 PolarHBondContact O-N 3.3Å; S899-H902 WeakPolarHBondContact O-CB 3.23Å; S899-H902 PolarHBondContact O-N 3.42Å; H900-H902 VanDerWaalsContact C-N 3.31Å; H900-H902 PolarHBondContact O-N 2.83Å; H902-K904 VanDerWaalsContact C-N 3.29Å; H902-K904 PolarHBondContact O-N 3.15Å; H902-L905 PolarHBondContact O-N 3.28Å; H902-K906 WeakPolarHBondContact O-CB 3.49Å; H902-K906 PolarHBondContact O-N 3.37Å |
| 903 | E | 82.1 | Confident | 83.2 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 177.6 | -77.7 | -68.3 | 175.7 | 0 | 0 | 111.9 | S899 K906 G907 | S899-E903 PolarHBondContact O-N 3.15Å; E903-K906 IonicContact OE1-NZ 2.67Å; E903-K906 PolarHBondContact OE1-NZ 2.83Å; E903-K906 IonicContact OE2-NZ 3.56Å; E903-K906 PolarHBondContact OE2-NZ 3.35Å; E903-G907 PolarHBondContact O-N 3.29Å |
| 904 | K | 85.9 | Confident | 83 | Confident | 108 Ų | 108 | 69.3 Ų | 69.3 | 47% | 0.47 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.4 | -51.4 | 172.8 | -178.2 | -179.1 | 168.4 | -176.1 | 0 | 111.9 | H900 H902 K906 G907 E908 | H900-K904 WeakPolarHBondContact O-CB 3.29Å; H900-K904 PolarHBondContact O-N 3.09Å; H902-K904 VanDerWaalsContact C-N 3.29Å; H902-K904 PolarHBondContact O-N 3.15Å; K904-K906 VanDerWaalsContact C-N 3.31Å; K904-K906 PolarHBondContact O-N 3.18Å; K904-G907 PolarHBondContact O-N 3.3Å; K904-E908 VanDerWaalsContact CE-CD 3.47Å; K904-E908 WeakPolarHBondContact CE-OE1 3.35Å; K904-E908 HydrophobicContact CG-CG 4.5Å; K904-E908 IonicContact NZ-OE1 3.39Å; K904-E908 PolarHBondContact NZ-OE1 3.25Å; K904-E908 WeakPolarHBondContact O-CG 3.42Å; K904-E908 PolarHBondContact O-N 3.09Å |
| 905 | L | 81.6 | Confident | 82.9 | Confident | 89 Ų | 89 | 68.4 Ų | 68.4 | 47% | 0.466 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 179.9 | 177.6 | 62.9 | 0 | 0 | 0 | 111.3 | F738 N901 H902 E908 V909 | F738-L905 HydrophobicContact CE1-CD2 4.49Å; F738-L905 HydrophobicContact CE1-CG 4.41Å; N901-L905 WeakPolarHBondContact O-CB 3.37Å; N901-L905 PolarHBondContact O-N 3.35Å; H902-L905 PolarHBondContact O-N 3.28Å; L905-E908 PolarHBondContact O-N 2.78Å; L905-V909 HydrophobicContact CD1-CG2 3.97Å; L905-V909 HydrophobicContact CG-CG2 4.33Å; L905-V909 VanDerWaalsContact O-CB 3.31Å; L905-V909 WeakPolarHBondContact O-CB 3.22Å; L905-V909 VanDerWaalsContact O-CG2 3.24Å; L905-V909 WeakPolarHBondContact O-CG2 3.41Å; L905-V909 PolarHBondContact O-N 2.98Å |
| 906 | K | 82.6 | Confident | 82.8 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 172.5 | 173.9 | -179.8 | 153.4 | -136.4 | 0 | 111.1 | F738 H902 E903 K904 E908 V909 E910 | F738-K906 HydrophobicContact CD1-CB 4.45Å; F738-K906 HydrophobicContact CD2-CB 4.28Å; F738-K906 HydrophobicContact CD2-CG 4.07Å; F738-K906 HydrophobicContact CE1-CB 4.22Å; F738-K906 HydrophobicContact CE2-CB 4.03Å; F738-K906 HydrophobicContact CE2-CG 4.1Å; F738-K906 HydrophobicContact CZ-CB 4.01Å; H902-K906 WeakPolarHBondContact O-CB 3.49Å; H902-K906 PolarHBondContact O-N 3.37Å; E903-K906 IonicContact OE1-NZ 2.67Å; E903-K906 PolarHBondContact OE1-NZ 2.83Å; E903-K906 IonicContact OE2-NZ 3.56Å; E903-K906 PolarHBondContact OE2-NZ 3.35Å; K904-K906 VanDerWaalsContact C-N 3.31Å; K904-K906 PolarHBondContact O-N 3.18Å; K906-E908 PolarHBondContact O-N 2.96Å; K906-V909 PolarHBondContact O-N 3.48Å; K906-E910 WeakPolarHBondContact CE-OE1 3.36Å; K906-E910 HydrophobicContact CG-CG 4.46Å; K906-E910 WeakPolarHBondContact CG-OE1 3.41Å; K906-E910 VanDerWaalsContact O-CB 3.29Å; K906-E910 WeakPolarHBondContact O-CB 3.32Å; K906-E910 VanDerWaalsContact O-CG 3.3Å; K906-E910 WeakPolarHBondContact O-CG 3.13Å; K906-E910 PolarHBondContact O-N 3.44Å |
| 907 | G | 83.1 | Confident | 82.5 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | E903 K904 N911 | E903-G907 PolarHBondContact O-N 3.29Å; K904-G907 PolarHBondContact O-N 3.3Å; G907-N911 WeakPolarHBondContact O-CB 3.33Å; G907-N911 PolarHBondContact O-N 3.24Å |
| 908 | E | 83.9 | Confident | 82.3 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 176.6 | -74.5 | 177.4 | 166.1 | 0 | 0 | 112.2 | K904 L905 K906 C912 | K904-E908 VanDerWaalsContact CE-CD 3.47Å; K904-E908 WeakPolarHBondContact CE-OE1 3.35Å; K904-E908 HydrophobicContact CG-CG 4.5Å; K904-E908 IonicContact NZ-OE1 3.39Å; K904-E908 PolarHBondContact NZ-OE1 3.25Å; K904-E908 WeakPolarHBondContact O-CG 3.42Å; K904-E908 PolarHBondContact O-N 3.09Å; L905-E908 PolarHBondContact O-N 2.78Å; K906-E908 PolarHBondContact O-N 2.96Å; E908-C912 WeakPolarHBondContact O-CB 3.44Å; E908-C912 PolarHBondContact O-N 3.1Å |
| 909 | V | 82.4 | Confident | 82.2 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.5 | -42 | 177.4 | 170 | 0 | 0 | 0 | 0 | 112 | I734 F738 L905 K906 C912 M913 | I734-V909 HydrophobicContact CD1-CG1 4.06Å; I734-V909 HydrophobicContact CG2-CG1 3.82Å; F738-V909 HydrophobicContact CE2-CB 4.26Å; F738-V909 HydrophobicContact CE2-CG1 4.13Å; F738-V909 HydrophobicContact CZ-CB 4.03Å; F738-V909 HydrophobicContact CZ-CG1 4.2Å; F738-V909 HydrophobicContact CZ-CG2 4.24Å; L905-V909 HydrophobicContact CD1-CG2 3.97Å; L905-V909 HydrophobicContact CG-CG2 4.33Å; L905-V909 VanDerWaalsContact O-CB 3.31Å; L905-V909 WeakPolarHBondContact O-CB 3.22Å; L905-V909 VanDerWaalsContact O-CG2 3.24Å; L905-V909 WeakPolarHBondContact O-CG2 3.41Å; L905-V909 PolarHBondContact O-N 2.98Å; K906-V909 PolarHBondContact O-N 3.48Å; V909-C912 PolarHBondContact O-N 3.49Å; V909-M913 HydrophobicContact CG1-CG 4.33Å; V909-M913 WeakPolarHBondContact O-CB 3.11Å; V909-M913 WeakPolarHBondContact O-CG 3.22Å; V909-M913 PolarHBondContact O-N 3.31Å |
| 910 | E | 79.6 | Confident | 81.9 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 173.6 | -75.6 | 178 | -172.5 | 0 | 0 | 110.7 | K906 M913 N914 | K906-E910 WeakPolarHBondContact CE-OE1 3.36Å; K906-E910 HydrophobicContact CG-CG 4.46Å; K906-E910 WeakPolarHBondContact CG-OE1 3.41Å; K906-E910 VanDerWaalsContact O-CB 3.29Å; K906-E910 WeakPolarHBondContact O-CB 3.32Å; K906-E910 VanDerWaalsContact O-CG 3.3Å; K906-E910 WeakPolarHBondContact O-CG 3.13Å; K906-E910 PolarHBondContact O-N 3.44Å; E910-M913 PolarHBondContact O-N 3.02Å; E910-N914 WeakPolarHBondContact O-CB 3.43Å; E910-N914 PolarHBondContact O-N 3.25Å; E910-N914 PolarHBondContact O-ND2 3.16Å; E910-N914 PolarHBondContact O-OD1 3.05Å |
| 911 | N | 84 | Confident | 81.4 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.8 | -168 | 44.7 | 0 | 0 | 0 | 111.6 | G907 N914 N915 | G907-N911 WeakPolarHBondContact O-CB 3.33Å; G907-N911 PolarHBondContact O-N 3.24Å; N911-N914 PolarHBondContact O-N 3.1Å; N911-N915 VanDerWaalsContact O-CB 3.3Å; N911-N915 WeakPolarHBondContact O-CB 3.4Å; N911-N915 PolarHBondContact O-N 3.47Å; N911-N915 PolarHBondContact O-ND2 3.1Å; N911-N915 PolarHBondContact O-OD1 3.27Å |
| 912 | C | 82.2 | Confident | 81.2 | Confident | 65 Ų | 65 | 69 Ų | 69 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | E908 V909 N915 V916 | E908-C912 WeakPolarHBondContact O-CB 3.44Å; E908-C912 PolarHBondContact O-N 3.1Å; V909-C912 PolarHBondContact O-N 3.49Å; C912-N915 PolarHBondContact O-N 3.05Å; C912-V916 VanDerWaalsContact O-CG2 3.32Å; C912-V916 WeakPolarHBondContact O-CG2 3.49Å; C912-V916 PolarHBondContact O-N 3.48Å |
| 913 | M | 79.1 | Confident | 81 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 178.6 | -70.6 | -71.8 | 151 | 0 | 0 | 112.2 | V726 I734 V909 E910 C917 | V726-M913 HydrophobicContact CG1-SD 3.89Å; I734-M913 HydrophobicContact CD1-CE 3.7Å; I734-M913 HydrophobicContact CD1-CG 4.38Å; I734-M913 HydrophobicContact CD1-SD 4.26Å; V909-M913 HydrophobicContact CG1-CG 4.33Å; V909-M913 WeakPolarHBondContact O-CB 3.11Å; V909-M913 WeakPolarHBondContact O-CG 3.22Å; V909-M913 PolarHBondContact O-N 3.31Å; E910-M913 PolarHBondContact O-N 3.02Å; M913-C917 PolarHBondContact O-N 3.2Å; M913-C917 PolarHBondContact O-SG 3.09Å |
| 914 | N | 80.4 | Confident | 80.6 | Confident | 64 Ų | 64 | 71 Ų | 71 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -49.7 | 172.7 | -66.4 | -6.7 | 0 | 0 | 0 | 110.6 | R730 E910 N911 V916 C917 E918 | R730-N914 PolarHBondContact NH1-OD1 3.34Å; E910-N914 WeakPolarHBondContact O-CB 3.43Å; E910-N914 PolarHBondContact O-N 3.25Å; E910-N914 PolarHBondContact O-ND2 3.16Å; E910-N914 PolarHBondContact O-OD1 3.05Å; N911-N914 PolarHBondContact O-N 3.1Å; N914-V916 VanDerWaalsContact C-N 3.26Å; N914-V916 PolarHBondContact O-N 3.49Å; N914-C917 CarbonylContact O-C 3.52Å; N914-C917 WeakPolarHBondContact O-CA 3.47Å; N914-C917 WeakPolarHBondContact O-CB 3.43Å; N914-C917 PolarHBondContact O-N 3.47Å; N914-E918 PolarHBondContact O-N 3.27Å |
| 915 | N | 83 | Confident | 80.1 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.1 | -35.7 | 176.4 | -68.7 | -20.2 | 0 | 0 | 0 | 112.4 | N911 C912 S919 | N911-N915 VanDerWaalsContact O-CB 3.3Å; N911-N915 WeakPolarHBondContact O-CB 3.4Å; N911-N915 PolarHBondContact O-N 3.47Å; N911-N915 PolarHBondContact O-ND2 3.1Å; N911-N915 PolarHBondContact O-OD1 3.27Å; C912-N915 PolarHBondContact O-N 3.05Å; N915-S919 WeakPolarHBondContact O-CB 3.24Å; N915-S919 PolarHBondContact O-N 3.37Å; N915-S919 PolarHBondContact O-OG 2.86Å |
| 916 | V | 80.7 | Confident | 80 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 34% | 0.339 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68 | -42 | 173.3 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | V726 C912 N914 S919 V920 | V726-V916 HydrophobicContact CG1-CG1 4.11Å; V726-V916 HydrophobicContact CG2-CG1 4.28Å; C912-V916 VanDerWaalsContact O-CG2 3.32Å; C912-V916 WeakPolarHBondContact O-CG2 3.49Å; C912-V916 PolarHBondContact O-N 3.48Å; N914-V916 VanDerWaalsContact C-N 3.26Å; N914-V916 PolarHBondContact O-N 3.49Å; V916-S919 PolarHBondContact O-N 3.48Å; V916-V920 WeakPolarHBondContact O-CG2 3.41Å; V916-V920 PolarHBondContact O-N 3.48Å |
| 917 | C | 78 | Confident | 79.7 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 10% | 0.101 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 111.3 | K727 M913 N914 S919 V920 E921 | K727-C917 WeakPolarHBondContact CE-SG 3.49Å; M913-C917 PolarHBondContact O-N 3.2Å; M913-C917 PolarHBondContact O-SG 3.09Å; N914-C917 CarbonylContact O-C 3.52Å; N914-C917 WeakPolarHBondContact O-CA 3.47Å; N914-C917 WeakPolarHBondContact O-CB 3.43Å; N914-C917 PolarHBondContact O-N 3.47Å; C917-S919 VanDerWaalsContact C-N 3.32Å; C917-S919 PolarHBondContact O-N 3.23Å; C917-V920 PolarHBondContact O-N 2.93Å; C917-E921 WeakPolarHBondContact O-CB 3.36Å; C917-E921 WeakPolarHBondContact O-CG 3.38Å; C917-E921 PolarHBondContact O-N 3.29Å |
| 918 | E | 81.3 | Confident | 79.5 | Confident | 121 Ų | 121 | 69.9 Ų | 69.9 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.9 | -39.8 | 176.5 | -70.3 | 177.8 | -163.2 | 0 | 0 | 111.9 | N914 V920 E921 Q922 | N914-E918 PolarHBondContact O-N 3.27Å; E918-V920 PolarHBondContact O-N 3.45Å; E918-E921 PolarHBondContact O-N 3.38Å; E918-Q922 VanDerWaalsContact O-CB 3.31Å; E918-Q922 WeakPolarHBondContact O-CB 3.47Å; E918-Q922 PolarHBondContact O-N 3.06Å |
| 919 | S | 80.1 | Confident | 79.4 | Confident | 75 Ų | 75 | 65 Ų | 65 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 176.3 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | N915 V916 C917 F923 | N915-S919 WeakPolarHBondContact O-CB 3.24Å; N915-S919 PolarHBondContact O-N 3.37Å; N915-S919 PolarHBondContact O-OG 2.86Å; V916-S919 PolarHBondContact O-N 3.48Å; C917-S919 VanDerWaalsContact C-N 3.32Å; C917-S919 PolarHBondContact O-N 3.23Å; S919-F923 WeakPolarHBondContact O-CB 3.19Å; S919-F923 PolarHBondContact O-N 3.39Å |
| 920 | V | 76.8 | Confident | 79.4 | Confident | 32 Ų | 32 | 64.7 Ų | 64.7 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -78.8 | -36.8 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | A719 T723 V916 C917 E918 Q922 F923 V924 | A719-V920 HydrophobicContact CB-CG1 3.93Å; T723-V920 WeakPolarHBondContact OG1-CG1 3.34Å; V916-V920 WeakPolarHBondContact O-CG2 3.41Å; V916-V920 PolarHBondContact O-N 3.48Å; C917-V920 PolarHBondContact O-N 2.93Å; E918-V920 PolarHBondContact O-N 3.45Å; V920-Q922 VanDerWaalsContact C-N 3.32Å; V920-Q922 PolarHBondContact O-N 3.35Å; V920-F923 WeakPolarHBondContact O-CB 3.48Å; V920-F923 PolarHBondContact O-N 3.3Å; V920-F923 VanDerWaalsContact O-N 3.16Å; V920-V924 WeakPolarHBondContact O-CG2 3.34Å; V920-V924 PolarHBondContact O-N 3.42Å |
| 921 | E | 75.4 | Confident | 79.5 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 173.1 | -70.8 | 169.5 | -158.9 | 0 | 0 | 110.5 | K727 C917 E918 V924 A925 | K727-E921 IonicContact NZ-OE1 2.73Å; K727-E921 PolarHBondContact NZ-OE1 3.08Å; C917-E921 WeakPolarHBondContact O-CB 3.36Å; C917-E921 WeakPolarHBondContact O-CG 3.38Å; C917-E921 PolarHBondContact O-N 3.29Å; E918-E921 PolarHBondContact O-N 3.38Å; E921-V924 PolarHBondContact O-N 3Å; E921-A925 PolarHBondContact O-N 3.45Å; E921-A925 VanDerWaalsContact O-N 3.16Å |
| 922 | Q | 79.4 | Confident | 79.5 | Confident | 118 Ų | 118 | 61.8 Ų | 61.8 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.5 | -36.2 | 169.3 | -171.6 | 170.7 | 21.4 | 0 | 0 | 112.9 | E918 V920 V924 A925 D926 | E918-Q922 VanDerWaalsContact O-CB 3.31Å; E918-Q922 WeakPolarHBondContact O-CB 3.47Å; E918-Q922 PolarHBondContact O-N 3.06Å; V920-Q922 VanDerWaalsContact C-N 3.32Å; V920-Q922 PolarHBondContact O-N 3.35Å; Q922-V924 VanDerWaalsContact C-N 3.26Å; Q922-V924 PolarHBondContact O-N 2.99Å; Q922-A925 PolarHBondContact O-N 3.1Å; Q922-A925 VanDerWaalsContact O-N 3.11Å; Q922-D926 HydrophobicContact CG-CB 4.46Å; Q922-D926 PolarHBondContact NE2-OD2 3.44Å; Q922-D926 VanDerWaalsContact NE2-OD2 3.1Å; Q922-D926 PolarHBondContact O-N 3.35Å |
| 923 | F | 79.2 | Confident | 79.6 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -30.6 | 173.6 | -179.3 | -91.2 | 0 | 0 | 0 | 112.5 | I715 A719 S919 V920 G927 P928 | I715-F923 HydrophobicContact CG2-CE1 3.83Å; I715-F923 HydrophobicContact CG2-CZ 4.21Å; A719-F923 HydrophobicContact CB-CD1 4.2Å; S919-F923 WeakPolarHBondContact O-CB 3.19Å; S919-F923 PolarHBondContact O-N 3.39Å; V920-F923 WeakPolarHBondContact O-CB 3.48Å; V920-F923 PolarHBondContact O-N 3.3Å; V920-F923 VanDerWaalsContact O-N 3.16Å; F923-G927 WeakPolarHBondContact O-CA 3.37Å; F923-G927 PolarHBondContact O-N 2.75Å; F923-G927 VanDerWaalsContact O-N 3.07Å; F923-P928 HydrophobicContact CE2-CG 4.29Å; F923-P928 HydrophobicContact CZ-CG 4.33Å |
| 924 | V | 73.5 | Confident | 79.7 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.7 | -35.9 | 171.2 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | A719 V920 E921 Q922 | A719-V924 HydrophobicContact CB-CG2 3.56Å; V920-V924 WeakPolarHBondContact O-CG2 3.34Å; V920-V924 PolarHBondContact O-N 3.42Å; E921-V924 PolarHBondContact O-N 3Å; Q922-V924 VanDerWaalsContact C-N 3.26Å; Q922-V924 PolarHBondContact O-N 2.99Å |
| 925 | A | 76 | Confident | 79.6 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.6 | -48.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E921 Q922 A930 | E921-A925 PolarHBondContact O-N 3.45Å; E921-A925 VanDerWaalsContact O-N 3.16Å; Q922-A925 PolarHBondContact O-N 3.1Å; Q922-A925 VanDerWaalsContact O-N 3.11Å; A925-A930 WeakPolarHBondContact O-CB 3.5Å |
| 926 | D | 79.6 | Confident | 79.5 | Confident | 117 Ų | 117 | 64 Ų | 64 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -112.3 | -6.7 | -171.1 | -68.9 | -40.6 | 0 | 0 | 0 | 113.5 | Q922 | Q922-D926 HydrophobicContact CG-CB 4.46Å; Q922-D926 PolarHBondContact NE2-OD2 3.44Å; Q922-D926 VanDerWaalsContact NE2-OD2 3.1Å; Q922-D926 PolarHBondContact O-N 3.35Å |
| 927 | G | 75.9 | Confident | 79.3 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -82.2 | -172.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F923 G929 A930 D931 | F923-G927 WeakPolarHBondContact O-CA 3.37Å; F923-G927 PolarHBondContact O-N 2.75Å; F923-G927 VanDerWaalsContact O-N 3.07Å; G927-G929 PolarHBondContact O-N 3.41Å; G927-G929 VanDerWaalsContact O-N 3.09Å; G927-A930 PolarHBondContact O-N 3.12Å; G927-D931 PolarHBondContact O-N 2.88Å; G927-D931 VanDerWaalsContact O-N 3.11Å |
| 928 | P | 79.6 | Confident | 79.1 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.8 | -29 | -172.8 | -26.5 | 35.6 | 0 | 0 | 0 | 114.7 | I715 F923 L932 | I715-P928 HydrophobicContact CD1-CB 4.34Å; F923-P928 HydrophobicContact CE2-CG 4.29Å; F923-P928 HydrophobicContact CZ-CG 4.33Å; P928-L932 VanDerWaalsContact O-CB 3.29Å; P928-L932 WeakPolarHBondContact O-CB 3.37Å; P928-L932 WeakPolarHBondContact O-CD1 3.46Å; P928-L932 WeakPolarHBondContact O-CG 3.48Å; P928-L932 PolarHBondContact O-N 3.02Å |
| 929 | G | 82.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A712 G927 D931 L932 L933 | A712-G929 WeakPolarHBondContact CB-O 3.39Å; G927-G929 PolarHBondContact O-N 3.41Å; G927-G929 VanDerWaalsContact O-N 3.09Å; G929-D931 VanDerWaalsContact C-N 3.34Å; G929-D931 PolarHBondContact O-N 3.47Å; G929-L932 PolarHBondContact O-N 3.18Å; G929-L933 WeakPolarHBondContact O-CG 3.4Å; G929-L933 PolarHBondContact O-N 2.88Å |
| 930 | A | 81.3 | Confident | 77.9 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A925 G927 L933 K934 | A925-A930 WeakPolarHBondContact O-CB 3.5Å; G927-A930 PolarHBondContact O-N 3.12Å; A930-L933 PolarHBondContact O-N 3.4Å; A930-K934 VanDerWaalsContact O-CB 3.32Å; A930-K934 WeakPolarHBondContact O-CB 3.49Å; A930-K934 PolarHBondContact O-N 3.39Å |
| 931 | D | 81.9 | Confident | 77.1 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -30.5 | 179.5 | -157.1 | 55.2 | 0 | 0 | 0 | 112.8 | G927 G929 K935 | G927-D931 PolarHBondContact O-N 2.88Å; G927-D931 VanDerWaalsContact O-N 3.11Å; G929-D931 VanDerWaalsContact C-N 3.34Å; G929-D931 PolarHBondContact O-N 3.47Å; D931-K935 WeakPolarHBondContact O-CD 3.33Å; D931-K935 WeakPolarHBondContact O-CG 3.46Å; D931-K935 PolarHBondContact O-N 3.27Å; D931-K935 IonicContact OD2-NZ 3.11Å; D931-K935 PolarHBondContact OD2-NZ 3.17Å |
| 932 | L | 84.4 | Confident | 76.2 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.2 | -43 | 168.8 | -78.7 | 166.5 | 0 | 0 | 0 | 112.3 | C708 A711 A712 I715 P928 G929 K934 K935 A936 | C708-L932 HydrophobicContact CB-CB 4.48Å; C708-L932 HydrophobicContact CB-CD2 4.07Å; A711-L932 HydrophobicContact CB-CD1 4Å; A712-L932 HydrophobicContact CB-CB 3.97Å; I715-L932 HydrophobicContact CD1-CD1 3.75Å; P928-L932 VanDerWaalsContact O-CB 3.29Å; P928-L932 WeakPolarHBondContact O-CB 3.37Å; P928-L932 WeakPolarHBondContact O-CD1 3.46Å; P928-L932 WeakPolarHBondContact O-CG 3.48Å; P928-L932 PolarHBondContact O-N 3.02Å; G929-L932 PolarHBondContact O-N 3.18Å; L932-K934 VanDerWaalsContact C-N 3.29Å; L932-K934 PolarHBondContact O-N 3.37Å; L932-K935 PolarHBondContact O-N 2.89Å; L932-A936 WeakPolarHBondContact O-CB 3.27Å; L932-A936 PolarHBondContact O-N 3.28Å |
| 933 | L | 82.8 | Confident | 74.9 | Confident | 64 Ų | 64 | 71 Ų | 71 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 174.1 | -70.6 | 170 | 0 | 0 | 0 | 111.7 | I709 A712 G929 A930 A936 S937 | I709-L933 HydrophobicContact CG1-CD2 4.12Å; A712-L933 HydrophobicContact CB-CD1 4.36Å; A712-L933 HydrophobicContact CB-CD2 3.95Å; A712-L933 HydrophobicContact CB-CG 3.7Å; G929-L933 WeakPolarHBondContact O-CG 3.4Å; G929-L933 PolarHBondContact O-N 2.88Å; A930-L933 PolarHBondContact O-N 3.4Å; L933-A936 PolarHBondContact O-N 2.81Å; L933-S937 PolarHBondContact O-N 3.08Å; L933-S937 PolarHBondContact O-OG 2.96Å |
| 934 | K | 82.2 | Confident | 73.1 | Confident | 132 Ų | 132 | 74.7 Ų | 74.7 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.1 | -38 | 174.9 | -171.3 | 177.4 | -178.2 | -179.8 | 0 | 112.5 | A930 L932 S937 I938 | A930-K934 VanDerWaalsContact O-CB 3.32Å; A930-K934 WeakPolarHBondContact O-CB 3.49Å; A930-K934 PolarHBondContact O-N 3.39Å; L932-K934 VanDerWaalsContact C-N 3.29Å; L932-K934 PolarHBondContact O-N 3.37Å; K934-S937 PolarHBondContact O-OG 3.04Å; K934-S937 VanDerWaalsContact O-OG 3.12Å; K934-I938 WeakPolarHBondContact O-CD1 3.4Å; K934-I938 VanDerWaalsContact O-CG1 3.24Å; K934-I938 WeakPolarHBondContact O-CG1 3.38Å; K934-I938 PolarHBondContact O-N 3.38Å |
| 935 | K | 78.3 | Confident | 71.8 | Confident | 93 Ų | 93 | 78.7 Ų | 78.7 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 171.4 | -75.2 | 160.1 | 179.5 | 149.8 | 0 | 111.8 | D931 L932 I938 W939 | D931-K935 WeakPolarHBondContact O-CD 3.33Å; D931-K935 WeakPolarHBondContact O-CG 3.46Å; D931-K935 PolarHBondContact O-N 3.27Å; D931-K935 IonicContact OD2-NZ 3.11Å; D931-K935 PolarHBondContact OD2-NZ 3.17Å; L932-K935 PolarHBondContact O-N 2.89Å; K935-I938 PolarHBondContact O-N 3.5Å; K935-W939 PolarHBondContact O-N 2.85Å |
| 936 | A | 80.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.008 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A705 C708 I709 L932 L933 W939 Q940 | A705-A936 HydrophobicContact CB-CB 4.36Å; C708-A936 HydrophobicContact CB-CB 4.03Å; I709-A936 HydrophobicContact CD1-CB 4.02Å; I709-A936 HydrophobicContact CG1-CB 3.63Å; L932-A936 WeakPolarHBondContact O-CB 3.27Å; L932-A936 PolarHBondContact O-N 3.28Å; L933-A936 PolarHBondContact O-N 2.81Å; A936-W939 CarbonylContact O-C 3.52Å; A936-W939 PolarHBondContact O-N 2.9Å; A936-W939 VanDerWaalsContact O-N 3.15Å; A936-Q940 WeakPolarHBondContact O-CB 3.32Å; A936-Q940 WeakPolarHBondContact O-CG 3.42Å; A936-Q940 PolarHBondContact O-N 3.43Å |
| 937 | S | 76.5 | Confident | 68.6 | Low | 63 Ų | 63 | 83.5 Ų | 83.5 | 44% | 0.441 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 177.8 | 65.9 | 0 | 0 | 0 | 0 | 112.2 | L933 K934 W939 Q940 S941 | L933-S937 PolarHBondContact O-N 3.08Å; L933-S937 PolarHBondContact O-OG 2.96Å; K934-S937 PolarHBondContact O-OG 3.04Å; K934-S937 VanDerWaalsContact O-OG 3.12Å; S937-W939 VanDerWaalsContact C-N 3.31Å; S937-W939 PolarHBondContact O-N 3.23Å; S937-Q940 PolarHBondContact O-N 3.04Å; S937-S941 WeakPolarHBondContact O-CB 3.14Å; S937-S941 PolarHBondContact O-N 3.35Å |
| 938 | I | 75.1 | Confident | 67 | Low | 105 Ų | 105 | 89.3 Ų | 89.3 | 54% | 0.538 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.6 | -45.2 | 169.5 | -69.9 | 165.2 | 0 | 0 | 0 | 110.7 | K934 K935 S941 | K934-I938 WeakPolarHBondContact O-CD1 3.4Å; K934-I938 VanDerWaalsContact O-CG1 3.24Å; K934-I938 WeakPolarHBondContact O-CG1 3.38Å; K934-I938 PolarHBondContact O-N 3.38Å; K935-I938 PolarHBondContact O-N 3.5Å; I938-S941 PolarHBondContact O-OG 3.32Å |
| 939 | W | 69.5 | Low | 65.6 | Low | 94 Ų | 94 | 96.5 Ų | 96.5 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.2 | -28.4 | 179.5 | -65 | -15.6 | 0 | 0 | 0 | 114.3 | L704 A705 C708 K935 A936 S937 | L704-W939 HydrophobicContact CB-CE3 3.86Å; L704-W939 HydrophobicContact CB-CH2 4.34Å; L704-W939 HydrophobicContact CB-CZ3 3.58Å; A705-W939 HydrophobicContact CB-CB 4.01Å; A705-W939 HydrophobicContact CB-CE3 4.42Å; C708-W939 VanDerWaalsContact SG-CZ3 3.55Å; K935-W939 PolarHBondContact O-N 2.85Å; A936-W939 CarbonylContact O-C 3.52Å; A936-W939 PolarHBondContact O-N 2.9Å; A936-W939 VanDerWaalsContact O-N 3.15Å; S937-W939 VanDerWaalsContact C-N 3.31Å; S937-W939 PolarHBondContact O-N 3.23Å |
| 940 | Q | 66 | Low | 63.9 | Low | 98 Ų | 98 | 104.2 Ų | 104.2 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -79.8 | -22.6 | 174.5 | -76 | 179.8 | -22.5 | 0 | 0 | 113.5 | A705 A936 S937 V942 | A705-Q940 HydrophobicContact CB-CG 3.89Å; A936-Q940 WeakPolarHBondContact O-CB 3.32Å; A936-Q940 WeakPolarHBondContact O-CG 3.42Å; A936-Q940 PolarHBondContact O-N 3.43Å; S937-Q940 PolarHBondContact O-N 3.04Å; Q940-V942 PolarHBondContact O-N 3.29Å |
| 941 | S | 61.2 | Low | 62.3 | Low | 90 Ų | 90 | 106.6 Ų | 106.6 | 63% | 0.629 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -61.2 | 2.2 | -177.1 | 72.2 | 0 | 0 | 0 | 0 | 116.6 | S937 I938 | S937-S941 WeakPolarHBondContact O-CB 3.14Å; S937-S941 PolarHBondContact O-N 3.35Å; I938-S941 PolarHBondContact O-OG 3.32Å |
| 942 | V | 56.4 | Low | 60.8 | Low | 75 Ų | 75 | 112 Ų | 112 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -129.7 | 90.6 | -178.9 | -172 | 0 | 0 | 0 | 0 | 111.1 | Q698 Q940 | Q698-V942 PolarHBondContact NE2-O 3.27Å; Q940-V942 PolarHBondContact O-N 3.29Å |
| 943 | N | 50.6 | Low | 59.4 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | trans | 78.1 | 131.5 | 166.7 | -123.3 | 32.9 | 0 | 0 | 0 | 118.4 | ||||
| 944 | E | 41.4 | Very low | 58.1 | Low | 166 Ų | 166 | 116.4 Ų | 116.4 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | trans | -93.1 | 177.3 | -173 | -57.2 | 173.3 | 138.6 | 0 | 0 | 113.1 | ||||
| 945 | N | 46.1 | Very low | 56.7 | Low | 132 Ų | 132 | 113.1 Ų | 113.1 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | trans | 67.7 | 97.9 | 170.3 | -53.8 | -55.4 | 0 | 0 | 0 | 116.8 | ||||
| 946 | H | 49.4 | Very low | 55.8 | Low | 195 Ų | 195 | 112.6 Ų | 112.6 | 90% | 0.903 | 58% | 0.579 | S | S | * | * | -173.5 | 151.5 | 93.3 | -95 | -71 | 0 | 0 | 0 | 111.1 | |||||
| 947 | S | 40.7 | Very low | 55 | Low | 86 Ų | 86 | 118 Ų | 118 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | trans | -98.3 | 163.5 | -178.7 | 65.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 948 | D | 42.5 | Very low | 54.2 | Low | 135 Ų | 135 | 118 Ų | 118 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | trans | 71 | 169.3 | 165.1 | -55.1 | -60.5 | 0 | 0 | 0 | 118.7 | ||||
| 949 | Y | 48.4 | Very low | 53.6 | Low | 219 Ų | 219 | 117.9 Ų | 117.9 | 86% | 0.859 | 60% | 0.595 | S | S | * | * | trans | 83.7 | 126.7 | 175.8 | -57.4 | -79.7 | 0 | 0 | 0 | 118.4 | L951 | Y949-L951 PolarHBondContact O-N 3.43Š| ||
| 950 | N | 47.7 | Very low | 53.5 | Low | 162 Ų | 162 | 119 Ų | 119 | 87% | 0.866 | 61% | 0.605 | S | S | * | * | trans | -62.2 | 115.4 | -174.7 | -73.4 | -45.1 | 0 | 0 | 0 | 112.3 | ||||
| 951 | L | 47.2 | Very low | 53.5 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 41% | 0.414 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -78.2 | -33.3 | -164.1 | -166 | 62.6 | 0 | 0 | 0 | 114.6 | F703 Y949 D953 H954 T955 | F703-L951 HydrophobicContact CD2-CD2 4.15Å; Y949-L951 PolarHBondContact O-N 3.43Å; L951-D953 PolarHBondContact O-N 3.11Å; L951-H954 CarbonylContact O-C 3.55Å; L951-H954 WeakPolarHBondContact O-CA 3.41Å; L951-H954 WeakPolarHBondContact O-CB 3.44Å; L951-H954 PolarHBondContact O-N 3.09Å; L951-T955 PolarHBondContact O-N 3.14Å; L951-T955 PolarHBondContact O-OG1 3.26Å; L951-T955 VanDerWaalsContact O-OG1 3.08Å |
| 952 | F | 50.3 | Low | 53.5 | Low | 180 Ų | 180 | 117.4 Ų | 117.4 | 79% | 0.789 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.2 | -46.2 | -163.1 | -150.6 | -86.8 | 0 | 0 | 0 | 114.4 | H954 T955 T956 | F952-H954 VanDerWaalsContact C-N 3.33Å; F952-T955 PolarHBondContact O-N 3.45Å; F952-T956 PolarHBondContact O-N 3.13Å; F952-T956 PolarHBondContact O-OG1 3.19Å |
| 953 | D | 55.6 | Low | 53.8 | Low | 98 Ų | 98 | 117.2 Ų | 117.2 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.6 | -31.5 | 175.5 | 177.5 | 57.1 | 0 | 0 | 0 | 111.9 | L951 K957 | L951-D953 PolarHBondContact O-N 3.11Å; D953-K957 WeakPolarHBondContact O-CB 3.28Å; D953-K957 WeakPolarHBondContact O-CG 3.23Å; D953-K957 PolarHBondContact O-N 2.87Å; D953-K957 WeakPolarHBondContact OD1-CE 3.18Å; D953-K957 IonicContact OD1-NZ 3.91Å; D953-K957 PolarHBondContact OD1-NZ 2.73Å; D953-K957 WeakPolarHBondContact OD2-CE 3.25Å; D953-K957 IonicContact OD2-NZ 2.64Å; D953-K957 PolarHBondContact OD2-NZ 3.23Å |
| 954 | H | 54.5 | Low | 54.6 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 45% | 0.454 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.6 | -35.6 | 174.2 | -163.4 | -10.7 | 0 | 0 | 0 | 112.1 | L951 F952 K957 M958 | L951-H954 CarbonylContact O-C 3.55Å; L951-H954 WeakPolarHBondContact O-CA 3.41Å; L951-H954 WeakPolarHBondContact O-CB 3.44Å; L951-H954 PolarHBondContact O-N 3.09Å; F952-H954 VanDerWaalsContact C-N 3.33Å; H954-K957 PolarHBondContact O-N 3.47Å; H954-M958 WeakPolarHBondContact O-CB 3.39Å; H954-M958 PolarHBondContact O-N 3.03Å |
| 955 | T | 54.3 | Low | 55.8 | Low | 62 Ų | 62 | 110.7 Ų | 110.7 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -47.8 | 174.4 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | L951 F952 K957 M958 I959 | L951-T955 PolarHBondContact O-N 3.14Å; L951-T955 PolarHBondContact O-OG1 3.26Å; L951-T955 VanDerWaalsContact O-OG1 3.08Å; F952-T955 PolarHBondContact O-N 3.45Å; T955-K957 PolarHBondContact O-N 3.49Å; T955-M958 PolarHBondContact O-N 2.95Å; T955-I959 HydrophobicContact CG2-CD1 4.08Å; T955-I959 WeakPolarHBondContact O-CG1 3.43Å; T955-I959 PolarHBondContact O-N 3.06Å |
| 956 | T | 58.7 | Low | 56.7 | Low | 83 Ų | 83 | 108.6 Ų | 108.6 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.7 | -43.6 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | F952 I959 H960 | F952-T956 PolarHBondContact O-N 3.13Å; F952-T956 PolarHBondContact O-OG1 3.19Å; T956-I959 PolarHBondContact O-N 3.34Å; T956-H960 WeakPolarHBondContact O-CB 3.46Å; T956-H960 PolarHBondContact O-N 2.93Å |
| 957 | K | 63.1 | Low | 57.6 | Low | 115 Ų | 115 | 106.4 Ų | 106.4 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 175.6 | -73.8 | 167.2 | -179.6 | 166.6 | 0 | 113.3 | D953 H954 T955 N961 | D953-K957 WeakPolarHBondContact O-CB 3.28Å; D953-K957 WeakPolarHBondContact O-CG 3.23Å; D953-K957 PolarHBondContact O-N 2.87Å; D953-K957 WeakPolarHBondContact OD1-CE 3.18Å; D953-K957 IonicContact OD1-NZ 3.91Å; D953-K957 PolarHBondContact OD1-NZ 2.73Å; D953-K957 WeakPolarHBondContact OD2-CE 3.25Å; D953-K957 IonicContact OD2-NZ 2.64Å; D953-K957 PolarHBondContact OD2-NZ 3.23Å; H954-K957 PolarHBondContact O-N 3.47Å; T955-K957 PolarHBondContact O-N 3.49Å; K957-N961 WeakPolarHBondContact O-CB 3.49Å; K957-N961 PolarHBondContact O-N 2.72Å |
| 958 | M | 58.8 | Low | 58.9 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 30% | 0.3 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 171.9 | -91.9 | -171 | 121.1 | 0 | 0 | 111 | K699 H954 T955 H960 N961 M962 | K699-M958 PolarHBondContact NZ-SD 3.26Å; K699-M958 VanDerWaalsContact NZ-SD 3.44Å; H954-M958 WeakPolarHBondContact O-CB 3.39Å; H954-M958 PolarHBondContact O-N 3.03Å; T955-M958 PolarHBondContact O-N 2.95Å; M958-H960 VanDerWaalsContact C-N 3.27Å; M958-H960 PolarHBondContact O-N 3.1Å; M958-N961 PolarHBondContact O-N 2.91Å; M958-M962 HydrophobicContact CB-SD 4.44Å; M958-M962 WeakPolarHBondContact O-CB 3.37Å; M958-M962 WeakPolarHBondContact O-CG 3.45Å; M958-M962 PolarHBondContact O-N 2.99Å |
| 959 | I | 62.6 | Low | 60 | Low | 103 Ų | 103 | 102.2 Ų | 102.2 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 176.2 | -69 | 165.9 | 0 | 0 | 0 | 110.8 | T955 T956 M962 S963 | T955-I959 HydrophobicContact CG2-CD1 4.08Å; T955-I959 WeakPolarHBondContact O-CG1 3.43Å; T955-I959 PolarHBondContact O-N 3.06Å; T956-I959 PolarHBondContact O-N 3.34Å; I959-M962 PolarHBondContact O-N 3.09Å; I959-S963 WeakPolarHBondContact O-CB 3.1Å; I959-S963 PolarHBondContact O-N 3.44Å |
| 960 | H | 67 | Low | 60.8 | Low | 119 Ų | 119 | 96 Ų | 96 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69 | -45.7 | 179.1 | -161.8 | 67.2 | 0 | 0 | 0 | 112.8 | T956 M958 M962 S963 N964 | T956-H960 WeakPolarHBondContact O-CB 3.46Å; T956-H960 PolarHBondContact O-N 2.93Å; M958-H960 VanDerWaalsContact C-N 3.27Å; M958-H960 PolarHBondContact O-N 3.1Å; H960-M962 VanDerWaalsContact C-N 3.33Å; H960-M962 PolarHBondContact O-N 3.49Å; H960-S963 PolarHBondContact O-N 3.36Å; H960-N964 PolarHBondContact CD2-ND2 3.39Å; H960-N964 PolarHBondContact NE2-ND2 3.33Å; H960-N964 PolarHBondContact O-N 3.39Å; H960-N964 PolarHBondContact O-ND2 3.35Å |
| 961 | N | 67.9 | Low | 61.8 | Low | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 173.3 | -87.5 | -4.7 | 0 | 0 | 0 | 112.6 | K957 M958 N964 N965 | K957-N961 WeakPolarHBondContact O-CB 3.49Å; K957-N961 PolarHBondContact O-N 2.72Å; M958-N961 PolarHBondContact O-N 2.91Å; N961-N964 PolarHBondContact O-N 3.26Å; N961-N965 VanDerWaalsContact O-CB 3.22Å; N961-N965 WeakPolarHBondContact O-CB 3.49Å; N961-N965 PolarHBondContact O-N 3.46Å; N961-N965 PolarHBondContact O-ND2 3.32Å |
| 962 | M | 60 | Low | 62.7 | Low | 53 Ų | 53 | 94.3 Ų | 94.3 | 26% | 0.261 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 173.5 | -75.6 | 165.4 | 51.6 | 0 | 0 | 110.9 | V692 M696 M958 I959 H960 N965 L966 | V692-M962 HydrophobicContact CG1-CE 3.79Å; V692-M962 HydrophobicContact CG1-CG 3.89Å; V692-M962 HydrophobicContact CG1-SD 3.91Å; M696-M962 HydrophobicContact SD-CE 4.4Å; M958-M962 HydrophobicContact CB-SD 4.44Å; M958-M962 WeakPolarHBondContact O-CB 3.37Å; M958-M962 WeakPolarHBondContact O-CG 3.45Å; M958-M962 PolarHBondContact O-N 2.99Å; I959-M962 PolarHBondContact O-N 3.09Å; H960-M962 VanDerWaalsContact C-N 3.33Å; H960-M962 PolarHBondContact O-N 3.49Å; M962-N965 PolarHBondContact O-N 3.18Å; M962-L966 WeakPolarHBondContact O-CB 3.44Å; M962-L966 PolarHBondContact O-N 2.95Å |
| 963 | S | 63.5 | Low | 63.5 | Low | 71 Ų | 71 | 86.4 Ų | 86.4 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | I959 H960 L966 F967 | I959-S963 WeakPolarHBondContact O-CB 3.1Å; I959-S963 PolarHBondContact O-N 3.44Å; H960-S963 PolarHBondContact O-N 3.36Å; S963-L966 PolarHBondContact O-N 3.22Å; S963-F967 WeakPolarHBondContact O-CB 3.48Å; S963-F967 PolarHBondContact O-N 3.36Å |
| 964 | N | 67.6 | Low | 64.2 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 177.2 | -68.3 | -25.8 | 0 | 0 | 0 | 112.8 | H960 N961 F967 T968 | H960-N964 PolarHBondContact CD2-ND2 3.39Å; H960-N964 PolarHBondContact NE2-ND2 3.33Å; H960-N964 PolarHBondContact O-N 3.39Å; H960-N964 PolarHBondContact O-ND2 3.35Å; N961-N964 PolarHBondContact O-N 3.26Å; N964-F967 PolarHBondContact O-N 3.32Å; N964-T968 PolarHBondContact O-N 3.41Å; N964-T968 PolarHBondContact O-OG1 3.13Å |
| 965 | N | 66.7 | Low | 64.9 | Low | 100 Ų | 100 | 88.8 Ų | 88.8 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.3 | -35.5 | 178 | -73 | -18 | 0 | 0 | 0 | 112.4 | N961 M962 T968 S969 | N961-N965 VanDerWaalsContact O-CB 3.22Å; N961-N965 WeakPolarHBondContact O-CB 3.49Å; N961-N965 PolarHBondContact O-N 3.46Å; N961-N965 PolarHBondContact O-ND2 3.32Å; M962-N965 PolarHBondContact O-N 3.18Å; N965-T968 WeakPolarHBondContact CA-OG1 3.32Å; N965-T968 PolarHBondContact O-OG1 3.34Å; N965-S969 WeakPolarHBondContact O-CB 3.5Å; N965-S969 PolarHBondContact O-N 3.03Å; N965-S969 PolarHBondContact O-OG 3.12Å |
| 966 | L | 65 | Low | 65.6 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 170 | -94.9 | 148.2 | 0 | 0 | 0 | 110.8 | M962 S963 S969 L970 | M962-L966 WeakPolarHBondContact O-CB 3.44Å; M962-L966 PolarHBondContact O-N 2.95Å; S963-L966 PolarHBondContact O-N 3.22Å; L966-S969 PolarHBondContact O-N 2.91Å; L966-L970 WeakPolarHBondContact O-CD1 3.39Å; L966-L970 VanDerWaalsContact O-CG 3.27Å; L966-L970 WeakPolarHBondContact O-CG 3.2Å; L966-L970 PolarHBondContact O-N 2.84Å; L966-L970 VanDerWaalsContact O-N 3.1Å |
| 967 | F | 67.5 | Low | 65.9 | Low | 150 Ų | 150 | 87.4 Ų | 87.4 | 66% | 0.658 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 179.7 | -169.5 | -96.8 | 0 | 0 | 0 | 112.4 | S963 N964 L970 Q971 | S963-F967 WeakPolarHBondContact O-CB 3.48Å; S963-F967 PolarHBondContact O-N 3.36Å; N964-F967 PolarHBondContact O-N 3.32Å; F967-L970 PolarHBondContact O-N 3.14Å; F967-Q971 PolarHBondContact O-N 2.78Å |
| 968 | T | 68.2 | Low | 66.1 | Low | 80 Ų | 80 | 86.9 Ų | 86.9 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 174.5 | 37.5 | 0 | 0 | 0 | 0 | 112.8 | N964 N965 L970 Q971 | N964-T968 PolarHBondContact O-N 3.41Å; N964-T968 PolarHBondContact O-OG1 3.13Å; N965-T968 WeakPolarHBondContact CA-OG1 3.32Å; N965-T968 PolarHBondContact O-OG1 3.34Å; T968-L970 PolarHBondContact O-N 3.32Å; T968-Q971 PolarHBondContact O-N 3.2Å |
| 969 | S | 65 | Low | 66.4 | Low | 53 Ų | 53 | 86.1 Ų | 86.1 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.7 | -7.5 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 114.7 | S685 N965 L966 | S685-S969 PolarHBondContact OG-O 3.48Å; N965-S969 WeakPolarHBondContact O-CB 3.5Å; N965-S969 PolarHBondContact O-N 3.03Å; N965-S969 PolarHBondContact O-OG 3.12Å; L966-S969 PolarHBondContact O-N 2.91Å |
| 970 | L | 66.2 | Low | 66.5 | Low | 88 Ų | 88 | 83 Ų | 83 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -102.7 | -18.3 | 174.7 | -71.5 | 167.4 | 0 | 0 | 0 | 113 | L966 F967 T968 E972 P973 T974 | L966-L970 WeakPolarHBondContact O-CD1 3.39Å; L966-L970 VanDerWaalsContact O-CG 3.27Å; L966-L970 WeakPolarHBondContact O-CG 3.2Å; L966-L970 PolarHBondContact O-N 2.84Å; L966-L970 VanDerWaalsContact O-N 3.1Å; F967-L970 PolarHBondContact O-N 3.14Å; T968-L970 PolarHBondContact O-N 3.32Å; L970-E972 PolarHBondContact O-N 3.39Å; L970-P973 WeakPolarHBondContact O-CD 3.39Å; L970-T974 PolarHBondContact O-N 3.34Å; L970-T974 PolarHBondContact O-OG1 3.22Å |
| 971 | Q | 68.9 | Low | 66.3 | Low | 123 Ų | 123 | 83.2 Ų | 83.2 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | -168.9 | -163 | 173.8 | 14.1 | 0 | 0 | 114.1 | F967 T968 R975 | F967-Q971 PolarHBondContact O-N 2.78Å; T968-Q971 PolarHBondContact O-N 3.2Å; Q971-R975 PolarHBondContact O-N 3.19Å; Q971-R975 VanDerWaalsContact O-N 3.1Å |
| 972 | E | 66.3 | Low | 66.1 | Low | 83 Ų | 83 | 80.3 Ų | 80.3 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.1 | -45.3 | 175.5 | -93.7 | -74 | 126.8 | 0 | 0 | 113.4 | K681 L970 T974 R975 I976 | K681-E972 IonicContact NZ-OE2 3.83Å; L970-E972 PolarHBondContact O-N 3.39Å; E972-T974 VanDerWaalsContact C-N 3.29Å; E972-T974 PolarHBondContact O-N 3.36Å; E972-R975 WeakPolarHBondContact O-CB 3.25Å; E972-R975 PolarHBondContact O-N 3.27Å; E972-R975 WeakPolarHBondContact OE1-CD 3.37Å; E972-R975 IonicContact OE1-CZ 2.67Å; E972-R975 IonicContact OE1-NE 3.57Å; E972-R975 IonicContact OE1-NH1 3.27Å; E972-R975 PolarHBondContact OE1-NH1 2.95Å; E972-I976 PolarHBondContact O-N 3.12Å; E972-I976 VanDerWaalsContact O-N 3.12Å |
| 973 | P | 66.7 | Low | 66.1 | Low | 14 Ų | 14 | 79.5 Ų | 79.5 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -51.5 | -44.8 | 167.9 | -30.2 | 35.2 | 0 | 0 | 0 | 113.6 | L678 K681 V682 L970 R975 I976 L977 | L678-P973 HydrophobicContact CD1-CB 4.09Å; K681-P973 HydrophobicContact CB-CG 4.43Å; V682-P973 HydrophobicContact CG2-CB 4.3Å; L970-P973 WeakPolarHBondContact O-CD 3.39Å; P973-R975 VanDerWaalsContact C-N 3.32Å; P973-R975 PolarHBondContact O-N 3.45Å; P973-I976 PolarHBondContact O-N 3.23Å; P973-L977 PolarHBondContact O-N 3.36Å; P973-L977 VanDerWaalsContact O-N 3.13Å |
| 974 | T | 68.7 | Low | 66 | Low | 76 Ų | 76 | 77.2 Ų | 77.2 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | L970 E972 L977 L978 | L970-T974 PolarHBondContact O-N 3.34Å; L970-T974 PolarHBondContact O-OG1 3.22Å; E972-T974 VanDerWaalsContact C-N 3.29Å; E972-T974 PolarHBondContact O-N 3.36Å; T974-L977 WeakPolarHBondContact O-CB 3.3Å; T974-L977 PolarHBondContact O-N 3.44Å; T974-L978 HydrophobicContact CG2-CD1 4.13Å; T974-L978 WeakPolarHBondContact O-CG 3.32Å; T974-L978 PolarHBondContact O-N 3.37Å |
| 975 | R | 70.6 | Confident | 65.7 | Low | 169 Ų | 169 | 77 Ų | 77 | 64% | 0.638 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65 | -39 | 178 | -174.3 | -170.2 | 175.1 | -165.3 | -2.9 | 113 | Q971 E972 P973 L977 G979 | Q971-R975 PolarHBondContact O-N 3.19Å; Q971-R975 VanDerWaalsContact O-N 3.1Å; E972-R975 WeakPolarHBondContact O-CB 3.25Å; E972-R975 PolarHBondContact O-N 3.27Å; E972-R975 WeakPolarHBondContact OE1-CD 3.37Å; E972-R975 IonicContact OE1-CZ 2.67Å; E972-R975 IonicContact OE1-NE 3.57Å; E972-R975 IonicContact OE1-NH1 3.27Å; E972-R975 PolarHBondContact OE1-NH1 2.95Å; P973-R975 VanDerWaalsContact C-N 3.32Å; P973-R975 PolarHBondContact O-N 3.45Å; R975-L977 VanDerWaalsContact C-N 3.33Å; R975-G979 PolarHBondContact O-N 3.38Å; R975-G979 VanDerWaalsContact O-N 3.09Å |
| 976 | I | 67.9 | Low | 65.4 | Low | 29 Ų | 29 | 78 Ų | 78 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.2 | -63.5 | 159.9 | 0 | 0 | 0 | 110.2 | D677 L678 K681 E972 P973 G979 L980 | D677-I976 VanDerWaalsContact OD2-CD1 3.23Å; D677-I976 WeakPolarHBondContact OD2-CD1 3.4Å; L678-I976 HydrophobicContact CB-CG2 4.18Å; L678-I976 HydrophobicContact CD1-CB 4.35Å; L678-I976 HydrophobicContact CD1-CG2 4.4Å; K681-I976 HydrophobicContact CD-CD1 3.47Å; K681-I976 VanDerWaalsContact CD-CD1 3.47Å; E972-I976 PolarHBondContact O-N 3.12Å; E972-I976 VanDerWaalsContact O-N 3.12Å; P973-I976 PolarHBondContact O-N 3.23Å; I976-G979 WeakPolarHBondContact O-CA 3.48Å; I976-G979 PolarHBondContact O-N 3.16Å; I976-G979 VanDerWaalsContact O-N 3.11Å; I976-L980 HydrophobicContact CG2-CD1 4.36Å; I976-L980 PolarHBondContact O-N 3.05Å |
| 977 | L | 65.1 | Low | 65.4 | Low | 88 Ų | 88 | 78.5 Ų | 78.5 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 179.7 | -149.3 | 154.1 | 0 | 0 | 0 | 111.3 | P973 T974 R975 G979 L980 E981 | P973-L977 PolarHBondContact O-N 3.36Å; P973-L977 VanDerWaalsContact O-N 3.13Å; T974-L977 WeakPolarHBondContact O-CB 3.3Å; T974-L977 PolarHBondContact O-N 3.44Å; R975-L977 VanDerWaalsContact C-N 3.33Å; L977-G979 VanDerWaalsContact C-N 3.32Å; L977-G979 PolarHBondContact O-N 3.37Å; L977-L980 WeakPolarHBondContact O-CB 3.44Å; L977-L980 PolarHBondContact O-N 2.8Å; L977-E981 PolarHBondContact O-N 2.7Å |
| 978 | L | 68 | Low | 65 | Low | 104 Ų | 104 | 74.8 Ų | 74.8 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 170.8 | -72.4 | 162.7 | 0 | 0 | 0 | 113 | T974 E981 G982 | T974-L978 HydrophobicContact CG2-CD1 4.13Å; T974-L978 WeakPolarHBondContact O-CG 3.32Å; T974-L978 PolarHBondContact O-N 3.37Å; L978-E981 PolarHBondContact O-N 3.47Å; L978-G982 PolarHBondContact O-N 3.24Å; L978-G982 VanDerWaalsContact O-N 3.14Å |
| 979 | G | 65.2 | Low | 64.9 | Low | 45 Ų | 45 | 76.3 Ų | 76.3 | 46% | 0.464 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R975 I976 L977 A983 | R975-G979 PolarHBondContact O-N 3.38Å; R975-G979 VanDerWaalsContact O-N 3.09Å; I976-G979 WeakPolarHBondContact O-CA 3.48Å; I976-G979 PolarHBondContact O-N 3.16Å; I976-G979 VanDerWaalsContact O-N 3.11Å; L977-G979 VanDerWaalsContact C-N 3.32Å; L977-G979 PolarHBondContact O-N 3.37Å; G979-A983 PolarHBondContact O-N 2.98Å; G979-A983 VanDerWaalsContact O-N 3.13Å |
| 980 | L | 65.2 | Low | 64.7 | Low | 37 Ų | 37 | 79.5 Ų | 79.5 | 19% | 0.194 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 173.5 | -84.6 | 163.8 | 0 | 0 | 0 | 112.4 | F670 V671 T675 I976 L977 G984 | F670-L980 HydrophobicContact CE1-CD2 4.43Å; V671-L980 HydrophobicContact CG2-CD2 4.42Å; T675-L980 HydrophobicContact CG2-CD1 4.34Å; I976-L980 HydrophobicContact CG2-CD1 4.36Å; I976-L980 PolarHBondContact O-N 3.05Å; L977-L980 WeakPolarHBondContact O-CB 3.44Å; L977-L980 PolarHBondContact O-N 2.8Å; L980-G984 PolarHBondContact O-N 3.13Å; L980-G984 VanDerWaalsContact O-N 3.12Å |
| 981 | E | 61.9 | Low | 64.8 | Low | 124 Ų | 124 | 76.5 Ų | 76.5 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.5 | -47.4 | 173.5 | -71.8 | -178.1 | 130.6 | 0 | 0 | 111.6 | L977 L978 G984 S985 | L977-E981 PolarHBondContact O-N 2.7Å; L978-E981 PolarHBondContact O-N 3.47Å; E981-G984 PolarHBondContact O-N 2.91Å; E981-S985 PolarHBondContact O-N 3.4Å |
| 982 | G | 63.1 | Low | 64.7 | Low | 39 Ų | 39 | 74 Ų | 74 | 40% | 0.402 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L978 G984 S985 | L978-G982 PolarHBondContact O-N 3.24Å; L978-G982 VanDerWaalsContact O-N 3.14Å; G982-G984 PolarHBondContact O-N 3.14Å; G982-S985 PolarHBondContact O-N 3.15Å; G982-S985 PolarHBondContact O-OG 2.81Å |
| 983 | A | 61.1 | Low | 64.7 | Low | 35 Ų | 35 | 76.8 Ų | 76.8 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.7 | -21.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F670 G979 | F670-A983 HydrophobicContact CE1-CB 3.57Å; F670-A983 HydrophobicContact CZ-CB 3.76Å; G979-A983 PolarHBondContact O-N 2.98Å; G979-A983 VanDerWaalsContact O-N 3.13Å |
| 984 | G | 60.3 | Low | 64.7 | Low | 24 Ų | 24 | 78 Ų | 78 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -74.8 | -34.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L980 E981 G982 S988 | L980-G984 PolarHBondContact O-N 3.13Å; L980-G984 VanDerWaalsContact O-N 3.12Å; E981-G984 PolarHBondContact O-N 2.91Å; G982-G984 PolarHBondContact O-N 3.14Å; G984-S988 WeakPolarHBondContact O-CB 3.33Å; G984-S988 PolarHBondContact O-N 3.39Å |
| 985 | S | 62.5 | Low | 64.5 | Low | 68 Ų | 68 | 79.9 Ų | 79.9 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | -172.4 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | E981 G982 S988 | E981-S985 PolarHBondContact O-N 3.4Å; G982-S985 PolarHBondContact O-N 3.15Å; G982-S985 PolarHBondContact O-OG 2.81Å; S985-S988 WeakPolarHBondContact O-CB 3.31Å; S985-S988 PolarHBondContact O-N 2.94Å |
| 986 | D | 60 | Low | 64.3 | Low | 120 Ų | 120 | 79 Ų | 79 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -67.7 | -47.5 | -176.3 | -69.4 | -13.1 | 0 | 0 | 0 | 111.5 | S988 I989 | D986-S988 VanDerWaalsContact C-N 3.29Å; D986-S988 PolarHBondContact O-N 2.9Å; D986-I989 PolarHBondContact O-N 3.27Å |
| 987 | R | 64.7 | Low | 64 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.7 | -20.3 | 177.1 | -69.8 | -160 | -175.6 | -164.7 | 2.6 | 113.8 | I989 E990 F991 | R987-I989 PolarHBondContact O-N 3.43Å; R987-E990 PolarHBondContact O-N 3.3Å; R987-F991 HydrophobicContact CB-CD2 4.29Å; R987-F991 HydrophobicContact CB-CE2 4.01Å; R987-F991 WeakPolarHBondContact O-CD2 3.32Å; R987-F991 WeakPolarHBondContact O-CG 3.38Å; R987-F991 PolarHBondContact O-N 3.15Å |
| 988 | S | 59.7 | Low | 63.9 | Low | 72 Ų | 72 | 77.1 Ų | 77.1 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.5 | -28.2 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | G984 S985 D986 S992 | G984-S988 WeakPolarHBondContact O-CB 3.33Å; G984-S988 PolarHBondContact O-N 3.39Å; S985-S988 WeakPolarHBondContact O-CB 3.31Å; S985-S988 PolarHBondContact O-N 2.94Å; D986-S988 VanDerWaalsContact C-N 3.29Å; D986-S988 PolarHBondContact O-N 2.9Å; S988-S992 VanDerWaalsContact O-CB 3.32Å; S988-S992 WeakPolarHBondContact O-CB 3.42Å; S988-S992 PolarHBondContact O-N 2.67Å; S988-S992 VanDerWaalsContact O-N 3.09Å |
| 989 | I | 65.2 | Low | 63.7 | Low | 112 Ų | 112 | 73.7 Ų | 73.7 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.7 | -51.5 | 179 | -57.7 | 175.7 | 0 | 0 | 0 | 109.9 | D986 R987 F991 S992 E993 | D986-I989 PolarHBondContact O-N 3.27Å; R987-I989 PolarHBondContact O-N 3.43Å; I989-F991 VanDerWaalsContact C-N 3.3Å; I989-F991 PolarHBondContact O-N 2.9Å; I989-S992 WeakPolarHBondContact O-CB 3.22Å; I989-S992 PolarHBondContact O-N 3.02Å; I989-E993 PolarHBondContact O-N 3.2Å |
| 990 | E | 61.2 | Low | 63.6 | Low | 120 Ų | 120 | 76.7 Ų | 76.7 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57.8 | -41.1 | 177.3 | -58.4 | -176.7 | 137.6 | 0 | 0 | 112.3 | R987 S994 | R987-E990 PolarHBondContact O-N 3.3Å; E990-S994 PolarHBondContact O-OG 3.09Å |
| 991 | F | 68.8 | Low | 63.4 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 11% | 0.114 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 175 | -66.7 | -40.3 | 0 | 0 | 0 | 112.4 | L660 Q663 V664 F667 R987 I989 E993 S994 F995 | L660-F991 HydrophobicContact CD1-CD1 3.67Å; L660-F991 HydrophobicContact CD1-CE1 4.19Å; Q663-F991 HydrophobicContact CB-CE1 4.03Å; V664-F991 HydrophobicContact CG2-CD1 4.11Å; V664-F991 HydrophobicContact CG2-CE1 3.58Å; V664-F991 HydrophobicContact CG2-CZ 3.84Å; F667-F991 HydrophobicContact CB-CE2 4.42Å; F667-F991 HydrophobicContact CB-CZ 4.03Å; F667-F991 AromaticContact CD1-CE2 3.97Å; F667-F991 HydrophobicContact CD1-CE2 3.97Å; F667-F991 HydrophobicContact CD1-CZ 4.36Å; F667-F991 HydrophobicContact CE1-CE2 4.45Å; F667-F991 HydrophobicContact CG-CE2 4.18Å; F667-F991 HydrophobicContact CG-CZ 4.29Å; R987-F991 HydrophobicContact CB-CD2 4.29Å; R987-F991 HydrophobicContact CB-CE2 4.01Å; R987-F991 WeakPolarHBondContact O-CD2 3.32Å; R987-F991 WeakPolarHBondContact O-CG 3.38Å; R987-F991 PolarHBondContact O-N 3.15Å; I989-F991 VanDerWaalsContact C-N 3.3Å; I989-F991 PolarHBondContact O-N 2.9Å; F991-E993 PolarHBondContact O-N 3.27Å; F991-S994 PolarHBondContact O-N 3.33Å; F991-F995 HydrophobicContact CB-CD2 4.38Å; F991-F995 WeakPolarHBondContact O-CB 3.16Å; F991-F995 WeakPolarHBondContact O-CD2 3.39Å; F991-F995 PolarHBondContact O-N 3.39Å |
| 992 | S | 66.6 | Low | 63.4 | Low | 71 Ų | 71 | 76.8 Ų | 76.8 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | -179.5 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | S988 I989 S994 F995 Q996 | S988-S992 VanDerWaalsContact O-CB 3.32Å; S988-S992 WeakPolarHBondContact O-CB 3.42Å; S988-S992 PolarHBondContact O-N 2.67Å; S988-S992 VanDerWaalsContact O-N 3.09Å; I989-S992 WeakPolarHBondContact O-CB 3.22Å; I989-S992 PolarHBondContact O-N 3.02Å; S992-S994 VanDerWaalsContact C-N 3.32Å; S992-S994 PolarHBondContact O-N 3.02Å; S992-F995 PolarHBondContact O-N 3.21Å; S992-Q996 PolarHBondContact O-N 2.77Å |
| 993 | E | 66 | Low | 63.5 | Low | 141 Ų | 141 | 83.6 Ų | 83.6 | 66% | 0.659 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 176.6 | -62.6 | -171.6 | 155.5 | 0 | 0 | 111.2 | I989 F991 Q996 | I989-E993 PolarHBondContact O-N 3.2Å; F991-E993 PolarHBondContact O-N 3.27Å; E993-Q996 PolarHBondContact O-N 3.13Å |
| 994 | S | 66.4 | Low | 63.6 | Low | 39 Ų | 39 | 85.7 Ų | 85.7 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | E990 F991 S992 Q996 A997 I998 | E990-S994 PolarHBondContact O-OG 3.09Å; F991-S994 PolarHBondContact O-N 3.33Å; S992-S994 VanDerWaalsContact C-N 3.32Å; S992-S994 PolarHBondContact O-N 3.02Å; S994-Q996 VanDerWaalsContact C-N 3.33Å; S994-Q996 PolarHBondContact O-N 3.19Å; S994-A997 PolarHBondContact O-N 3.39Å; S994-I998 PolarHBondContact O-N 2.78Å |
| 995 | F | 64.5 | Low | 63.9 | Low | 115 Ų | 115 | 85.8 Ų | 85.8 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -34.4 | 175.9 | -96.8 | -71.1 | 0 | 0 | 0 | 112.5 | L660 F991 S992 A997 I998 G999 | L660-F995 HydrophobicContact CD2-CD2 4.35Å; L660-F995 HydrophobicContact CD2-CE2 4.18Å; L660-F995 HydrophobicContact CD2-CZ 4.28Å; F991-F995 HydrophobicContact CB-CD2 4.38Å; F991-F995 WeakPolarHBondContact O-CB 3.16Å; F991-F995 WeakPolarHBondContact O-CD2 3.39Å; F991-F995 PolarHBondContact O-N 3.39Å; S992-F995 PolarHBondContact O-N 3.21Å; F995-A997 VanDerWaalsContact C-N 3.35Å; F995-A997 PolarHBondContact O-N 2.96Å; F995-I998 PolarHBondContact O-N 3.44Å; F995-G999 PolarHBondContact O-N 3.22Å |
| 996 | Q | 67.3 | Low | 63.8 | Low | 151 Ų | 151 | 86.4 Ų | 86.4 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.3 | -38.9 | -179.6 | -170 | 171.8 | 0.5 | 0 | 0 | 112.2 | S992 E993 S994 I998 G999 | S992-Q996 PolarHBondContact O-N 2.77Å; E993-Q996 PolarHBondContact O-N 3.13Å; S994-Q996 VanDerWaalsContact C-N 3.33Å; S994-Q996 PolarHBondContact O-N 3.19Å; Q996-I998 VanDerWaalsContact C-N 3.35Å; Q996-G999 PolarHBondContact O-N 3.36Å |
| 997 | A | 60.8 | Low | 64.1 | Low | 68 Ų | 68 | 86.7 Ų | 86.7 | 56% | 0.562 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S994 F995 T1000 | S994-A997 PolarHBondContact O-N 3.39Å; F995-A997 VanDerWaalsContact C-N 3.35Å; F995-A997 PolarHBondContact O-N 2.96Å; A997-T1000 PolarHBondContact O-OG1 3.22Å |
| 998 | I | 63.1 | Low | 64.3 | Low | 10 Ų | 10 | 85.5 Ų | 85.5 | 5% | 0.051 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -75.7 | -36.3 | 175 | -64.2 | 175.1 | 0 | 0 | 0 | 111 | V653 D656 L657 L660 S994 F995 Q996 T1000 N1001 L1002 | V653-I998 HydrophobicContact CG1-CG2 3.7Å; D656-I998 HydrophobicContact CB-CD1 4.4Å; D656-I998 HydrophobicContact CB-CG1 4.17Å; L657-I998 HydrophobicContact CG-CD1 4.49Å; L660-I998 HydrophobicContact CB-CD1 4.49Å; L660-I998 HydrophobicContact CD2-CD1 3.68Å; S994-I998 PolarHBondContact O-N 2.78Å; F995-I998 PolarHBondContact O-N 3.44Å; Q996-I998 VanDerWaalsContact C-N 3.35Å; I998-T1000 VanDerWaalsContact C-N 3.3Å; I998-T1000 PolarHBondContact O-N 3.19Å; I998-N1001 WeakPolarHBondContact O-CB 3.42Å; I998-N1001 PolarHBondContact O-N 3.3Å; I998-L1002 HydrophobicContact CG2-CD1 4.05Å; I998-L1002 PolarHBondContact O-N 3.37Å |
| 999 | G | 63 | Low | 64.5 | Low | 31 Ų | 31 | 85.9 Ų | 85.9 | 32% | 0.32 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.6 | -35.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | F995 Q996 N1001 L1002 F1003 | F995-G999 PolarHBondContact O-N 3.22Å; Q996-G999 PolarHBondContact O-N 3.36Å; G999-N1001 PolarHBondContact O-N 2.55Å; G999-L1002 PolarHBondContact O-N 3.3Å; G999-L1002 VanDerWaalsContact O-N 3.13Å; G999-F1003 PolarHBondContact O-N 3.34Å |
| 1000 | T | 63.8 | Low | 64.6 | Low | 108 Ų | 108 | 86.5 Ų | 86.5 | 66% | 0.663 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.4 | -23.9 | 174.4 | 33.9 | 0 | 0 | 0 | 0 | 113.9 | A997 I998 | A997-T1000 PolarHBondContact O-OG1 3.22Å; I998-T1000 VanDerWaalsContact C-N 3.3Å; I998-T1000 PolarHBondContact O-N 3.19Å |
| 1001 | N | 60.8 | Low | 64.8 | Low | 97 Ų | 97 | 86.5 Ų | 86.5 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -90.4 | -19.3 | 176.7 | -66.1 | -30.2 | 0 | 0 | 0 | 113.3 | V653 I998 G999 | V653-N1001 HydrophobicContact CG2-CB 4.26Å; I998-N1001 WeakPolarHBondContact O-CB 3.42Å; I998-N1001 PolarHBondContact O-N 3.3Å; G999-N1001 PolarHBondContact O-N 2.55Å |
| 1002 | L | 61.9 | Low | 64.7 | Low | 67 Ų | 67 | 87.2 Ų | 87.2 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81.8 | -22.4 | 179.9 | -83.5 | 159.1 | 0 | 0 | 0 | 113.8 | L650 I998 G999 A1004 I1005 | L650-L1002 HydrophobicContact CD2-CD2 4.07Å; I998-L1002 HydrophobicContact CG2-CD1 4.05Å; I998-L1002 PolarHBondContact O-N 3.37Å; G999-L1002 PolarHBondContact O-N 3.3Å; G999-L1002 VanDerWaalsContact O-N 3.13Å; L1002-A1004 PolarHBondContact O-N 3.22Å; L1002-I1005 HydrophobicContact CD2-CD1 4.12Å; L1002-I1005 PolarHBondContact O-N 3.48Å |
| 1003 | F | 66.7 | Low | 64.5 | Low | 182 Ų | 182 | 87.8 Ų | 87.8 | 80% | 0.798 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.6 | -164 | -154.7 | -89.9 | 0 | 0 | 0 | 115.6 | G999 | G999-F1003 PolarHBondContact O-N 3.34Š|
| 1004 | A | 62.4 | Low | 64.4 | Low | 78 Ų | 78 | 87.5 Ų | 87.5 | 65% | 0.645 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -21.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1002 | L1002-A1004 PolarHBondContact O-N 3.22Š|
| 1005 | I | 66 | Low | 64.4 | Low | 27 Ų | 27 | 96.5 Ų | 96.5 | 14% | 0.138 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -68.5 | -38.5 | -168.6 | -66.8 | 171.9 | 0 | 0 | 0 | 114.8 | W645 R649 L650 L1002 N1007 E1008 | W645-I1005 HydrophobicContact CH2-CG2 4.13Å; W645-I1005 HydrophobicContact CZ3-CG2 4.49Å; R649-I1005 HydrophobicContact CB-CD1 4.06Å; R649-I1005 HydrophobicContact CB-CG1 4.39Å; L650-I1005 HydrophobicContact CD2-CD1 4.38Å; L1002-I1005 HydrophobicContact CD2-CD1 4.12Å; L1002-I1005 PolarHBondContact O-N 3.48Å; I1005-N1007 VanDerWaalsContact C-N 3.33Å; I1005-N1007 PolarHBondContact O-N 3.34Å; I1005-E1008 PolarHBondContact O-N 3.3Å; I1005-E1008 VanDerWaalsContact O-N 3.15Å |
| 1006 | P | 61.6 | Low | 64.4 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.6 | -37.1 | -172.7 | -29.3 | 37 | 0 | 0 | 0 | 115.5 | E1008 M1009 E1010 | P1006-E1008 VanDerWaalsContact C-N 3.27Å; P1006-E1008 PolarHBondContact O-N 3.07Å; P1006-M1009 WeakPolarHBondContact O-CB 3.5Å; P1006-M1009 PolarHBondContact O-N 3.48Å; P1006-M1009 VanDerWaalsContact O-N 3.11Å; P1006-E1010 PolarHBondContact O-N 3.32Å |
| 1007 | N | 65.8 | Low | 64.3 | Low | 125 Ų | 125 | 97.9 Ų | 97.9 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.7 | -24.4 | -178.2 | -70.7 | -3.4 | 0 | 0 | 0 | 113.4 | I1005 N1011 | I1005-N1007 VanDerWaalsContact C-N 3.33Å; I1005-N1007 PolarHBondContact O-N 3.34Å; N1007-N1011 PolarHBondContact O-ND2 2.83Å |
| 1008 | E | 67.9 | Low | 64.5 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 35% | 0.346 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.4 | -30 | 174.4 | -62.2 | -168.3 | 136.4 | 0 | 0 | 111.3 | W645 R649 I1005 P1006 | W645-E1008 HydrophobicContact CH2-CB 3.78Å; W645-E1008 HydrophobicContact CZ2-CB 3.53Å; R649-E1008 IonicContact CZ-OE1 3.62Å; R649-E1008 IonicContact CZ-OE2 3.5Å; R649-E1008 IonicContact NE-OE1 3.68Å; R649-E1008 IonicContact NE-OE2 2.8Å; R649-E1008 PolarHBondContact NE-OE2 3.29Å; R649-E1008 IonicContact NH2-OE1 2.72Å; R649-E1008 PolarHBondContact NH2-OE1 3.34Å; R649-E1008 IonicContact NH2-OE2 3.33Å; R649-E1008 PolarHBondContact NH2-OE2 3.03Å; I1005-E1008 PolarHBondContact O-N 3.3Å; I1005-E1008 VanDerWaalsContact O-N 3.15Å; P1006-E1008 VanDerWaalsContact C-N 3.27Å; P1006-E1008 PolarHBondContact O-N 3.07Å |
| 1009 | M | 64.9 | Low | 64.6 | Low | 81 Ų | 81 | 104 Ų | 104 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.1 | -39.3 | -175.1 | -176.5 | 175.7 | 169.1 | 0 | 0 | 113.5 | L641 W645 P1006 N1011 I1012 | L641-M1009 HydrophobicContact CD2-CE 4.08Å; W645-M1009 HydrophobicContact CH2-CB 4.34Å; W645-M1009 HydrophobicContact CZ3-CB 4.16Å; P1006-M1009 WeakPolarHBondContact O-CB 3.5Å; P1006-M1009 PolarHBondContact O-N 3.48Å; P1006-M1009 VanDerWaalsContact O-N 3.11Å; M1009-N1011 VanDerWaalsContact C-N 3.27Å; M1009-N1011 PolarHBondContact O-N 3.48Å; M1009-I1012 PolarHBondContact O-N 3.27Å |
| 1010 | E | 67 | Low | 64.8 | Low | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -38.1 | -178.6 | -173.4 | 178.3 | -169.3 | 0 | 0 | 112.5 | P1006 I1012 L1013 N1014 | P1006-E1010 PolarHBondContact O-N 3.32Å; E1010-I1012 PolarHBondContact O-N 3.3Å; E1010-L1013 PolarHBondContact O-N 3.46Å; E1010-N1014 PolarHBondContact O-ND2 2.86Å |
| 1011 | N | 66.4 | Low | 64.8 | Low | 119 Ų | 119 | 106.2 Ų | 106.2 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.2 | -22.6 | 178 | -80.1 | -75.2 | 0 | 0 | 0 | 113.9 | N1007 M1009 | N1007-N1011 PolarHBondContact O-ND2 2.83Å; M1009-N1011 VanDerWaalsContact C-N 3.27Å; M1009-N1011 PolarHBondContact O-N 3.48Å |
| 1012 | I | 66.3 | Low | 64.8 | Low | 42 Ų | 42 | 106.6 Ų | 106.6 | 22% | 0.215 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -84.9 | -38.3 | -178.2 | -52.7 | 176.8 | 0 | 0 | 0 | 110.8 | L641 W645 M1009 E1010 N1014 R1015 | L641-I1012 HydrophobicContact CD1-CB 4.1Å; L641-I1012 HydrophobicContact CD1-CG2 3.65Å; L641-I1012 HydrophobicContact CG-CG2 4.49Å; W645-I1012 HydrophobicContact CD2-CD1 3.9Å; W645-I1012 HydrophobicContact CE3-CD1 4.27Å; W645-I1012 HydrophobicContact CG-CD1 4.19Å; M1009-I1012 PolarHBondContact O-N 3.27Å; E1010-I1012 PolarHBondContact O-N 3.3Å; I1012-N1014 PolarHBondContact O-N 3.29Å; I1012-R1015 PolarHBondContact O-N 3.48Å |
| 1013 | L | 61.3 | Low | 65.1 | Low | 82 Ų | 82 | 107 Ų | 107 | 43% | 0.429 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | -177.8 | -69.5 | 169.4 | 0 | 0 | 0 | 112.2 | L641 E1010 R1015 R1016 | L641-L1013 HydrophobicContact CD1-CD2 4.08Å; E1010-L1013 PolarHBondContact O-N 3.46Å; L1013-R1015 PolarHBondContact O-N 2.89Å; L1013-R1016 PolarHBondContact O-N 3.27Å |
| 1014 | N | 65 | Low | 65.1 | Low | 136 Ų | 136 | 101.6 Ų | 101.6 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -2.4 | -179.3 | -77.2 | -47.8 | 0 | 0 | 0 | 115.3 | E1010 I1012 | E1010-N1014 PolarHBondContact O-ND2 2.86Å; I1012-N1014 PolarHBondContact O-N 3.29Å |
| 1015 | R | 65 | Low | 65.2 | Low | 227 Ų | 227 | 103.6 Ų | 103.6 | 86% | 0.857 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -4.2 | -177.1 | -81 | -175.5 | 167 | -170.9 | -2.4 | 116.1 | I1012 L1013 | I1012-R1015 PolarHBondContact O-N 3.48Å; L1013-R1015 PolarHBondContact O-N 2.89Å |
| 1016 | R | 65.6 | Low | 65 | Low | 131 Ų | 131 | 105 Ų | 105 | 49% | 0.494 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -125.3 | 2.6 | -168.5 | -70.9 | -169.4 | 175.8 | -172.9 | 3 | 116.9 | R637 T640 L1013 | R637-R1016 WeakPolarHBondContact CD-O 3.43Å; T640-R1016 PolarHBondContact OG1-NH1 3.21Å; L1013-R1016 PolarHBondContact O-N 3.27Å |
| 1017 | Y | 65.3 | Low | 65 | Low | 164 Ų | 164 | 103.1 Ų | 103.1 | 64% | 0.643 | 53% | 0.529 | S | S | * | . | trans | -87.7 | 149.3 | -179.6 | -155.3 | -100.2 | 0 | 0 | 0 | 112.2 | N634 | N634-Y1017 HydrophobicContact CB-CE2 4.46Š| ||
| 1018 | H | 65.8 | Low | 65.1 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | trans | -122 | 150 | 176.9 | -78.3 | 1.1 | 0 | 0 | 0 | 113.1 | N634 R637 | N634-H1018 PolarHBondContact ND2-O 3.37Å; N634-H1018 PolarHBondContact OD1-N 3.47Å; R637-H1018 PolarHBondContact NH2-CD2 2.72Å | ||
| 1019 | T | 63.9 | Low | 64.9 | Low | 111 Ų | 111 | 108 Ų | 108 | 68% | 0.681 | 56% | 0.562 | S | S | * | * | trans | -123.1 | 153.6 | -174.2 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1020 | Y | 66.7 | Low | 64.9 | Low | 76 Ų | 76 | 111.9 Ų | 111.9 | 30% | 0.298 | 57% | 0.573 | S | S | . | * | trans | -64.7 | 139.3 | -176.1 | 177.6 | -93.8 | 0 | 0 | 0 | 113.7 | L627 L630 P1022 | L627-Y1020 HydrophobicContact CD2-CD2 3.59Å; L627-Y1020 HydrophobicContact CD2-CE2 3.93Å; L627-Y1020 HydrophobicContact CD2-CG 3.97Å; L627-Y1020 HydrophobicContact CG-CD2 3.96Å; L627-Y1020 HydrophobicContact CG-CE2 3.78Å; L630-Y1020 HydrophobicContact CD2-CD2 4.33Å; Y1020-P1022 HydrophobicContact CE1-CG 4.47Å | ||
| 1021 | V | 64.8 | Low | 64.9 | Low | 109 Ų | 109 | 116 Ų | 116 | 66% | 0.661 | 59% | 0.589 | S | S | * | * | trans | -119.5 | 128.2 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1022 | P | 60.3 | Low | 64.9 | Low | 104 Ų | 104 | 114.4 Ų | 114.4 | 68% | 0.675 | 58% | 0.576 | S | S | * | * | trans | -68.8 | 136.9 | 177.9 | -19.4 | 32.4 | 0 | 0 | 0 | 113.4 | Y1020 | Y1020-P1022 HydrophobicContact CE1-CG 4.47Š| ||
| 1023 | T | 68.2 | Low | 64.9 | Low | 75 Ų | 75 | 117.5 Ų | 117.5 | 46% | 0.46 | 60% | 0.602 | S | S | . | * | trans | -95.1 | -3.4 | -178.8 | 65.7 | 0 | 0 | 0 | 0 | 115.2 | R626 E1025 | R626-T1023 VanDerWaalsContact NH1-CG2 3.27Å; R626-T1023 PolarHBondContact NH1-OG1 3.13Å; T1023-E1025 VanDerWaalsContact CB-OE2 3.31Å; T1023-E1025 WeakPolarHBondContact CB-OE2 3.31Å; T1023-E1025 PolarHBondContact O-N 2.79Å; T1023-E1025 PolarHBondContact OG1-OE2 3.06Å | ||
| 1024 | G | 67.9 | Low | 65 | Low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 79 | -18.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | T1026 | G1024-T1026 PolarHBondContact O-N 2.74Š|
| 1025 | E | 63.7 | Low | 65 | Low | 120 Ų | 120 | 115.9 Ų | 115.9 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | trans | -71.5 | 12.3 | -176.7 | -53.5 | 156.9 | 127.5 | 0 | 0 | 114.9 | R626 T1023 | R626-E1025 IonicContact CZ-OE2 3.13Å; R626-E1025 IonicContact NH1-OE2 3.37Å; R626-E1025 PolarHBondContact NH1-OE2 3.16Å; R626-E1025 IonicContact NH2-OE2 2.68Å; R626-E1025 PolarHBondContact NH2-OE2 3.22Å; T1023-E1025 VanDerWaalsContact CB-OE2 3.31Å; T1023-E1025 WeakPolarHBondContact CB-OE2 3.31Å; T1023-E1025 PolarHBondContact O-N 2.79Å; T1023-E1025 PolarHBondContact OG1-OE2 3.06Å | ||
| 1026 | T | 62.3 | Low | 65.2 | Low | 56 Ų | 56 | 111 Ų | 111 | 34% | 0.344 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -83.1 | 124.6 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 109.3 | G1024 Q1028 | G1024-T1026 PolarHBondContact O-N 2.74Å; T1026-Q1028 PolarHBondContact O-N 3.43Å |
| 1027 | P | 61.7 | Low | 65.4 | Low | 43 Ų | 43 | 112.5 Ų | 112.5 | 28% | 0.279 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 133.8 | 179.4 | -28.6 | 36.7 | 0 | 0 | 0 | 112.7 | D616 | D616-P1027 HydrophobicContact CB-CB 4.13Å; D616-P1027 HydrophobicContact CB-CG 4.44Å |
| 1028 | Q | 66.4 | Low | 65.6 | Low | 169 Ų | 169 | 110.2 Ų | 110.2 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 148.1 | 176.4 | -67.9 | -166.5 | -2.1 | 0 | 0 | 111.3 | T1026 R1030 | T1026-Q1028 PolarHBondContact O-N 3.43Å; Q1028-R1030 PolarHBondContact O-N 3.03Å |
| 1029 | S | 64.1 | Low | 66 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 92% | 0.916 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 120.9 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1030 | R | 66.1 | Low | 66.5 | Low | 164 Ų | 164 | 110.2 Ų | 110.2 | 62% | 0.619 | 58% | 0.579 | S | S | * | * | trans | -113.6 | 144.7 | 177.9 | -72.5 | 171.6 | 172.4 | 176.5 | -3.2 | 110.4 | Q1028 | Q1028-R1030 PolarHBondContact O-N 3.03Š| ||
| 1031 | K | 66.6 | Low | 67.1 | Low | 210 Ų | 210 | 107.8 Ų | 107.8 | 91% | 0.913 | 57% | 0.572 | S | S | * | * | trans | -95.8 | 118.5 | 165.2 | -71.2 | -174.4 | 176.5 | -176.9 | 0 | 108.8 | ||||
| 1032 | F | 66 | Low | 67.7 | Low | 86 Ų | 86 | 105 Ų | 105 | 38% | 0.377 | 56% | 0.561 | S | S | . | * | trans | -78.5 | 143.9 | 171.1 | -61.3 | -81.2 | 0 | 0 | 0 | 110.1 | T609 A613 | T609-F1032 HydrophobicContact CG2-CB 3.95Å; T609-F1032 HydrophobicContact CG2-CD1 3.85Å; T609-F1032 HydrophobicContact CG2-CG 4.22Å; A613-F1032 HydrophobicContact CB-CE1 4.32Å; A613-F1032 HydrophobicContact CB-CE2 4.13Å; A613-F1032 HydrophobicContact CB-CZ 3.78Å | ||
| 1033 | S | 65.8 | Low | 68.7 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 76% | 0.755 | 55% | 0.55 | S | S | * | * | trans | -114.8 | 136.8 | 174 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1034 | Y | 64.5 | Low | 69.1 | Low | 144 Ų | 144 | 106.1 Ų | 106.1 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | trans | -148 | 156.5 | -175.6 | 53.8 | -92.1 | 0 | 0 | 0 | 110.7 | T1036 | Y1034-T1036 PolarHBondContact O-N 3.12Š| ||
| 1035 | P | 63.7 | Low | 69.6 | Low | 40 Ų | 40 | 109.2 Ų | 109.2 | 26% | 0.26 | 55% | 0.549 | S | S | . | . | trans | -63.9 | 128.4 | 178.7 | -20.5 | 33 | 0 | 0 | 0 | 111.9 | ||||
| 1036 | T | 69.2 | Low | 70.3 | Confident | 124 Ų | 124 | 111.4 Ų | 111.4 | 76% | 0.761 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -92.9 | -18.2 | 175.2 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | Y1034 | Y1034-T1036 PolarHBondContact O-N 3.12Š|
| 1037 | E | 69.6 | Low | 71.1 | Confident | 163 Ų | 163 | 109.1 Ų | 109.1 | 76% | 0.762 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -120.9 | 136.5 | 175.3 | -67 | -167.4 | 158.6 | 0 | 0 | 111.6 | Q602 | Q602-E1037 PolarHBondContact NE2-O 3.45Š|
| 1038 | F | 71 | Confident | 71.9 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | trans | -109.8 | 146.1 | 179.8 | -69.5 | -83.4 | 0 | 0 | 0 | 111.4 | L599 Q602 L606 K1040 | L599-F1038 HydrophobicContact CD2-CB 3.88Å; L599-F1038 HydrophobicContact CD2-CD1 4.14Å; L599-F1038 HydrophobicContact CD2-CG 4.47Å; Q602-F1038 HydrophobicContact CB-CD1 4.42Å; L606-F1038 HydrophobicContact CD1-CE1 3.91Å; L606-F1038 HydrophobicContact CD1-CZ 3.86Å; F1038-K1040 PolarHBondContact O-N 3.47Å | ||
| 1039 | A | 74 | Confident | 72.4 | Confident | 13 Ų | 13 | 107.7 Ų | 107.7 | 11% | 0.107 | 53% | 0.526 | C | S | . | . | trans | -62.6 | 127.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T595 R598 L599 | T595-A1039 HydrophobicContact CG2-CB 4.28Å; R598-A1039 HydrophobicContact CB-CB 3.97Å; L599-A1039 HydrophobicContact CD2-CB 4.37Å; L599-A1039 WeakPolarHBondContact CD2-O 3.39Å; L599-A1039 HydrophobicContact CG-CB 4.36Å | ||
| 1040 | K | 75.1 | Confident | 72.9 | Confident | 195 Ų | 195 | 107 Ų | 107 | 85% | 0.848 | 51% | 0.508 | S | S | * | . | trans | -125.8 | 133.2 | -176.6 | -175.7 | 174.3 | -179 | 173.7 | 0 | 111.4 | F1038 | F1038-K1040 PolarHBondContact O-N 3.47Š| ||
| 1041 | T | 79 | Confident | 73.4 | Confident | 25 Ų | 25 | 101.2 Ų | 101.2 | 15% | 0.153 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 142.5 | 176.5 | -38.3 | 0 | 0 | 0 | 0 | 110.4 | H592 T595 I1047 | H592-T1041 VanDerWaalsContact CE1-CB 3.47Å; H592-T1041 WeakPolarHBondContact CE1-CB 3.37Å; H592-T1041 PolarHBondContact CE1-OG1 3.11Å; H592-T1041 VanDerWaalsContact CE1-OG1 3.3Å; H592-T1041 PolarHBondContact ND1-OG1 3.39Å; T595-T1041 PolarHBondContact OG1-OG1 3.37Å; T1041-I1047 HydrophobicContact CG2-CD1 3.98Å |
| 1042 | A | 77.6 | Confident | 73.9 | Confident | 50 Ų | 50 | 97.2 Ų | 97.2 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 154.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y1044 I1047 | A1042-Y1044 PolarHBondContact O-N 3.46Å; A1042-I1047 HydrophobicContact CB-CD1 4.14Å; A1042-I1047 HydrophobicContact CB-CG1 4Å; A1042-I1047 VanDerWaalsContact O-CD1 3.32Å; A1042-I1047 WeakPolarHBondContact O-CD1 3.41Å |
| 1043 | P | 79.5 | Confident | 74.1 | Confident | 71 Ų | 71 | 97 Ų | 97 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 136.9 | 178 | -24.9 | 34.9 | 0 | 0 | 0 | 112.4 | H1045 R1046 I1047 | P1043-H1045 PolarHBondContact O-N 3.38Å; P1043-R1046 PolarHBondContact O-N 2.8Å; P1043-I1047 PolarHBondContact O-N 2.71Å |
| 1044 | Y | 77.4 | Confident | 74 | Confident | 133 Ų | 133 | 98 Ų | 98 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -47.7 | -39.8 | -175.2 | -66.2 | -55.8 | 0 | 0 | 0 | 114.2 | L588 H592 A1042 R1046 I1047 L1048 | L588-Y1044 HydrophobicContact CD1-CD1 3.64Å; L588-Y1044 HydrophobicContact CD1-CE1 4.06Å; L588-Y1044 HydrophobicContact CD1-CG 4.4Å; L588-Y1044 HydrophobicContact CD2-CD1 3.72Å; L588-Y1044 HydrophobicContact CD2-CE1 4.4Å; L588-Y1044 HydrophobicContact CG-CD1 4.2Å; H592-Y1044 AromaticContact NE2-CD1 3.63Å; H592-Y1044 AromaticContact NE2-CE1 2.48Å; H592-Y1044 WeakPolarHBondContact NE2-CE1 3.4Å; H592-Y1044 AromaticContact NE2-CZ 2.78Å; H592-Y1044 PolarHBondContact NE2-OH 2.98Å; A1042-Y1044 PolarHBondContact O-N 3.46Å; Y1044-R1046 VanDerWaalsContact C-N 3.28Å; Y1044-R1046 PolarHBondContact O-N 3.08Å; Y1044-I1047 PolarHBondContact O-N 3.38Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.33Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.44Å; Y1044-L1048 PolarHBondContact O-N 3.16Å |
| 1045 | H | 77.6 | Confident | 73.9 | Confident | 133 Ų | 133 | 96.3 Ų | 96.3 | 62% | 0.616 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.3 | -25.9 | -179.6 | 71.1 | -104.6 | 0 | 0 | 0 | 114 | P1043 K1049 | P1043-H1045 PolarHBondContact O-N 3.38Å; H1045-K1049 VanDerWaalsContact O-CB 3.25Å; H1045-K1049 WeakPolarHBondContact O-CB 3.39Å; H1045-K1049 PolarHBondContact O-N 3.2Å |
| 1046 | R | 78.7 | Confident | 73.3 | Confident | 166 Ų | 166 | 98.8 Ų | 98.8 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77.1 | -49.3 | 174.2 | -72.6 | -165.7 | 177.1 | -170.5 | -1.2 | 110.7 | P1043 Y1044 L1048 K1049 E1050 | P1043-R1046 PolarHBondContact O-N 2.8Å; Y1044-R1046 VanDerWaalsContact C-N 3.28Å; Y1044-R1046 PolarHBondContact O-N 3.08Å; R1046-L1048 VanDerWaalsContact C-N 3.32Å; R1046-L1048 PolarHBondContact O-N 3.16Å; R1046-K1049 WeakPolarHBondContact O-CA 3.31Å; R1046-K1049 WeakPolarHBondContact O-CB 3.48Å; R1046-K1049 PolarHBondContact O-N 2.83Å; R1046-E1050 PolarHBondContact O-N 3.41Å |
| 1047 | I | 79.1 | Confident | 72.4 | Confident | 9 Ų | 9 | 99 Ų | 99 | 5% | 0.046 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 179.8 | -56.1 | 175.2 | 0 | 0 | 0 | 110.3 | Y587 L588 E591 T1041 A1042 P1043 Y1044 K1049 E1050 Y1051 | Y587-I1047 HydrophobicContact CD1-CG2 3.78Å; Y587-I1047 HydrophobicContact CE1-CG2 3.45Å; Y587-I1047 VanDerWaalsContact CE1-CG2 3.45Å; L588-I1047 HydrophobicContact CD2-CB 3.85Å; L588-I1047 HydrophobicContact CD2-CD1 4.25Å; L588-I1047 HydrophobicContact CD2-CG2 3.65Å; E591-I1047 HydrophobicContact CB-CD1 4.24Å; E591-I1047 HydrophobicContact CG-CG2 3.93Å; T1041-I1047 HydrophobicContact CG2-CD1 3.98Å; A1042-I1047 HydrophobicContact CB-CD1 4.14Å; A1042-I1047 HydrophobicContact CB-CG1 4Å; A1042-I1047 VanDerWaalsContact O-CD1 3.32Å; A1042-I1047 WeakPolarHBondContact O-CD1 3.41Å; P1043-I1047 PolarHBondContact O-N 2.71Å; Y1044-I1047 PolarHBondContact O-N 3.38Å; I1047-K1049 VanDerWaalsContact C-N 3.32Å; I1047-K1049 PolarHBondContact O-N 3.24Å; I1047-E1050 PolarHBondContact O-N 3.03Å; I1047-Y1051 WeakPolarHBondContact O-CB 3.47Å; I1047-Y1051 PolarHBondContact O-N 3.5Å |
| 1048 | L | 78.1 | Confident | 71.4 | Confident | 27 Ų | 27 | 98 Ų | 98 | 14% | 0.141 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -69.4 | -25.2 | 175.3 | -67.5 | 178.1 | 0 | 0 | 0 | 113.5 | E584 L588 Y1044 R1046 R1052 | E584-L1048 HydrophobicContact CB-CD2 3.79Å; E584-L1048 HydrophobicContact CG-CD2 4.07Å; L588-L1048 HydrophobicContact CD1-CD1 4.28Å; L588-L1048 HydrophobicContact CD1-CD2 4.19Å; L588-L1048 HydrophobicContact CD1-CG 4.29Å; L588-L1048 HydrophobicContact CD2-CD2 4.25Å; L588-L1048 HydrophobicContact CD2-CG 4.22Å; L588-L1048 HydrophobicContact CG-CD2 4.08Å; L588-L1048 HydrophobicContact CG-CG 4.42Å; Y1044-L1048 WeakPolarHBondContact O-CB 3.33Å; Y1044-L1048 WeakPolarHBondContact O-CG 3.44Å; Y1044-L1048 PolarHBondContact O-N 3.16Å; R1046-L1048 VanDerWaalsContact C-N 3.32Å; R1046-L1048 PolarHBondContact O-N 3.16Å; L1048-R1052 VanDerWaalsContact O-CB 3.3Å; L1048-R1052 WeakPolarHBondContact O-CB 3.47Å; L1048-R1052 WeakPolarHBondContact O-CD 3.39Å; L1048-R1052 WeakPolarHBondContact O-CG 3Å; L1048-R1052 PolarHBondContact O-N 3.41Å; L1048-R1052 VanDerWaalsContact O-N 3.09Å |
| 1049 | K | 77.3 | Confident | 70.6 | Confident | 155 Ų | 155 | 96.5 Ų | 96.5 | 67% | 0.674 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.3 | -45.2 | 173.7 | -175.7 | 177.1 | -180 | -178.8 | 0 | 110.9 | H1045 R1046 I1047 R1052 S1053 | H1045-K1049 VanDerWaalsContact O-CB 3.25Å; H1045-K1049 WeakPolarHBondContact O-CB 3.39Å; H1045-K1049 PolarHBondContact O-N 3.2Å; R1046-K1049 WeakPolarHBondContact O-CA 3.31Å; R1046-K1049 WeakPolarHBondContact O-CB 3.48Å; R1046-K1049 PolarHBondContact O-N 2.83Å; I1047-K1049 VanDerWaalsContact C-N 3.32Å; I1047-K1049 PolarHBondContact O-N 3.24Å; K1049-R1052 PolarHBondContact O-N 3.03Å; K1049-S1053 PolarHBondContact O-N 3.28Å; K1049-S1053 PolarHBondContact O-OG 3.45Å |
| 1050 | E | 75.1 | Confident | 69.5 | Low | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.5 | -69.8 | 176.5 | 151.1 | 0 | 0 | 111.6 | R1046 I1047 R1052 S1053 N1054 | R1046-E1050 PolarHBondContact O-N 3.41Å; I1047-E1050 PolarHBondContact O-N 3.03Å; E1050-R1052 PolarHBondContact O-N 3.24Å; E1050-S1053 WeakPolarHBondContact CA-OG 3.38Å; E1050-S1053 PolarHBondContact O-N 3.43Å; E1050-S1053 PolarHBondContact O-OG 3.21Å; E1050-S1053 VanDerWaalsContact O-OG 3.05Å; E1050-N1054 WeakPolarHBondContact O-CB 3.07Å; E1050-N1054 PolarHBondContact O-N 3.49Å; E1050-N1054 VanDerWaalsContact O-N 3.15Å; E1050-N1054 PolarHBondContact O-ND2 3.27Å |
| 1051 | Y | 77.5 | Confident | 68.3 | Low | 43 Ų | 43 | 97 Ų | 97 | 17% | 0.169 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -56.9 | -46.9 | 171.9 | -173.8 | -105.9 | 0 | 0 | 0 | 112.4 | E584 Y587 I1047 N1054 R1055 | E584-Y1051 HydrophobicContact CG-CD1 4.49Å; E584-Y1051 HydrophobicContact CG-CE1 4.36Å; Y587-Y1051 AromaticContact CD1-CD2 3.45Å; Y587-Y1051 HydrophobicContact CD1-CD2 3.45Å; Y587-Y1051 VanDerWaalsContact CD1-CD2 3.45Å; Y587-Y1051 HydrophobicContact CD1-CE2 4.29Å; Y587-Y1051 AromaticContact CD1-CG 3.76Å; Y587-Y1051 HydrophobicContact CD1-CG 3.76Å; Y587-Y1051 AromaticContact CD2-CD2 3.69Å; Y587-Y1051 HydrophobicContact CD2-CD2 3.69Å; Y587-Y1051 AromaticContact CD2-CE2 3.96Å; Y587-Y1051 HydrophobicContact CD2-CE2 3.96Å; Y587-Y1051 AromaticContact CE1-CD2 3.79Å; Y587-Y1051 HydrophobicContact CE1-CD2 3.79Å; Y587-Y1051 HydrophobicContact CE1-CG 4.1Å; Y587-Y1051 HydrophobicContact CE2-CD2 4.03Å; Y587-Y1051 AromaticContact CG-CD2 3.4Å; Y587-Y1051 HydrophobicContact CG-CD2 3.4Å; Y587-Y1051 AromaticContact CG-CE2 3.8Å; Y587-Y1051 HydrophobicContact CG-CE2 3.8Å; Y587-Y1051 HydrophobicContact CG-CG 4.12Å; I1047-Y1051 WeakPolarHBondContact O-CB 3.47Å; I1047-Y1051 PolarHBondContact O-N 3.5Å; Y1051-N1054 PolarHBondContact O-N 3.11Å; Y1051-R1055 PolarHBondContact OH-NH1 3.31Å |
| 1052 | R | 75.6 | Confident | 67 | Low | 126 Ų | 126 | 102.4 Ų | 102.4 | 48% | 0.475 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.1 | -27.8 | -179.1 | -71.2 | 169.5 | -177.9 | 172.4 | 3.6 | 113.2 | E584 L1048 K1049 E1050 | E584-R1052 IonicContact OE1-CZ 3.7Å; E584-R1052 VanDerWaalsContact OE1-CZ 3.3Å; E584-R1052 IonicContact OE1-NE 3.64Å; E584-R1052 PolarHBondContact OE1-NE 3.05Å; E584-R1052 IonicContact OE1-NH2 3.6Å; E584-R1052 PolarHBondContact OE1-NH2 3.28Å; E584-R1052 IonicContact OE2-CZ 3.77Å; E584-R1052 IonicContact OE2-NE 3.27Å; E584-R1052 IonicContact OE2-NH2 2.79Å; E584-R1052 PolarHBondContact OE2-NH2 2.97Å; L1048-R1052 VanDerWaalsContact O-CB 3.3Å; L1048-R1052 WeakPolarHBondContact O-CB 3.47Å; L1048-R1052 WeakPolarHBondContact O-CD 3.39Å; L1048-R1052 WeakPolarHBondContact O-CG 3Å; L1048-R1052 PolarHBondContact O-N 3.41Å; L1048-R1052 VanDerWaalsContact O-N 3.09Å; K1049-R1052 PolarHBondContact O-N 3.03Å; E1050-R1052 PolarHBondContact O-N 3.24Å |
| 1053 | S | 71.4 | Confident | 65.5 | Low | 80 Ų | 80 | 106 Ų | 106 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -79.5 | -19.3 | 175.7 | 58.4 | 0 | 0 | 0 | 0 | 114 | K1049 E1050 | K1049-S1053 PolarHBondContact O-N 3.28Å; K1049-S1053 PolarHBondContact O-OG 3.45Å; E1050-S1053 WeakPolarHBondContact CA-OG 3.38Å; E1050-S1053 PolarHBondContact O-N 3.43Å; E1050-S1053 PolarHBondContact O-OG 3.21Å; E1050-S1053 VanDerWaalsContact O-OG 3.05Å |
| 1054 | N | 64 | Low | 63.4 | Low | 130 Ų | 130 | 106 Ų | 106 | 70% | 0.695 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -93.2 | -0.3 | -177.5 | -69 | -8.9 | 0 | 0 | 0 | 114 | E1050 Y1051 | E1050-N1054 WeakPolarHBondContact O-CB 3.07Å; E1050-N1054 PolarHBondContact O-N 3.49Å; E1050-N1054 VanDerWaalsContact O-N 3.15Å; E1050-N1054 PolarHBondContact O-ND2 3.27Å; Y1051-N1054 PolarHBondContact O-N 3.11Å |
| 1055 | R | 60.9 | Low | 61.6 | Low | 109 Ų | 109 | 105.9 Ų | 105.9 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -91.4 | 130.1 | 169.2 | -90.5 | -175.8 | 153.4 | 151.7 | 0.9 | 111 | E583 Y1051 D1059 | E583-R1055 IonicContact OE2-CZ 3.85Å; E583-R1055 VanDerWaalsContact OE2-CZ 3.24Å; E583-R1055 IonicContact OE2-NH1 3.69Å; E583-R1055 PolarHBondContact OE2-NH1 3.08Å; E583-R1055 IonicContact OE2-NH2 2.75Å; E583-R1055 PolarHBondContact OE2-NH2 2.87Å; Y1051-R1055 PolarHBondContact OH-NH1 3.31Å; R1055-D1059 WeakPolarHBondContact CD-OD2 3.43Å; R1055-D1059 IonicContact CZ-OD2 2.81Å; R1055-D1059 IonicContact NE-OD2 3.23Å; R1055-D1059 PolarHBondContact NE-OD2 3.13Å |
| 1056 | T | 52 | Low | 59.8 | Low | 92 Ų | 92 | 105 Ų | 105 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | trans | -73.6 | 157.9 | 177.8 | 37.3 | 0 | 0 | 0 | 0 | 112.4 | E1058 D1059 | T1056-E1058 PolarHBondContact O-N 3.15Å; T1056-D1059 PolarHBondContact O-N 3Å | ||
| 1057 | I | 50.3 | Low | 57.9 | Low | 127 Ų | 127 | 103 Ų | 103 | 65% | 0.651 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.6 | -174.5 | -65.6 | 167.9 | 0 | 0 | 0 | 112.8 | D1059 I1060 N1061 | I1057-D1059 VanDerWaalsContact C-N 3.33Å; I1057-D1059 PolarHBondContact O-N 3.48Å; I1057-I1060 WeakPolarHBondContact O-CB 3.45Å; I1057-I1060 PolarHBondContact O-N 3.21Å; I1057-I1060 VanDerWaalsContact O-N 3.11Å; I1057-N1061 PolarHBondContact O-N 3.29Å |
| 1058 | E | 49.2 | Very low | 55.8 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 67% | 0.673 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -30.6 | 179.6 | -62.6 | 176.9 | 124.4 | 0 | 0 | 113.5 | T1056 I1060 N1062 | T1056-E1058 PolarHBondContact O-N 3.15Å; E1058-I1060 PolarHBondContact O-N 3.22Å; E1058-N1062 PolarHBondContact O-ND2 3.02Å |
| 1059 | D | 54 | Low | 54 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.8 | -23.3 | 174.1 | -89.1 | -7.2 | 0 | 0 | 0 | 112.3 | R1055 T1056 I1057 | R1055-D1059 WeakPolarHBondContact CD-OD2 3.43Å; R1055-D1059 IonicContact CZ-OD2 2.81Å; R1055-D1059 IonicContact NE-OD2 3.23Å; R1055-D1059 PolarHBondContact NE-OD2 3.13Å; T1056-D1059 PolarHBondContact O-N 3Å; I1057-D1059 VanDerWaalsContact C-N 3.33Å; I1057-D1059 PolarHBondContact O-N 3.48Å |
| 1060 | I | 51.2 | Low | 51.9 | Low | 113 Ų | 113 | 113.1 Ų | 113.1 | 58% | 0.579 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -86.2 | -41.3 | -174.5 | -59.6 | 176.9 | 0 | 0 | 0 | 111 | I1057 E1058 N1062 L1063 | I1057-I1060 WeakPolarHBondContact O-CB 3.45Å; I1057-I1060 PolarHBondContact O-N 3.21Å; I1057-I1060 VanDerWaalsContact O-N 3.11Å; E1058-I1060 PolarHBondContact O-N 3.22Å; I1060-N1062 VanDerWaalsContact C-N 3.32Å; I1060-N1062 PolarHBondContact O-N 3.33Å; I1060-L1063 PolarHBondContact O-N 2.94Å |
| 1061 | N | 47.9 | Very low | 50.2 | Low | 106 Ų | 106 | 116 Ų | 116 | 57% | 0.567 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.8 | -29.8 | -176.2 | -70.9 | -22.4 | 0 | 0 | 0 | 113.2 | I1057 L1063 A1064 | I1057-N1061 PolarHBondContact O-N 3.29Å; N1061-L1063 PolarHBondContact O-N 3.42Å; N1061-L1063 VanDerWaalsContact O-N 3.11Å; N1061-A1064 PolarHBondContact O-N 3.43Å |
| 1062 | N | 52.4 | Low | 48.1 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 1.8 | -179.3 | -74.6 | -64 | 0 | 0 | 0 | 114.8 | E1058 I1060 | E1058-N1062 PolarHBondContact O-ND2 3.02Å; I1060-N1062 VanDerWaalsContact C-N 3.32Å; I1060-N1062 PolarHBondContact O-N 3.33Å |
| 1063 | L | 46.9 | Very low | 46 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 65% | 0.654 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | -0.1 | 175.3 | -77.2 | 162.5 | 0 | 0 | 0 | 113.3 | L576 I1060 N1061 | L576-L1063 HydrophobicContact CD1-CD2 4.36Å; L576-L1063 HydrophobicContact CD2-CD2 3.82Å; I1060-L1063 PolarHBondContact O-N 2.94Å; N1061-L1063 PolarHBondContact O-N 3.42Å; N1061-L1063 VanDerWaalsContact O-N 3.11Å |
| 1064 | A | 35 | Very low | 44.2 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | trans | -107.6 | 72.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1061 | N1061-A1064 PolarHBondContact O-N 3.43Š| ||
| 1065 | T | 40 | Very low | 42.7 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | trans | -148 | 51.1 | 172.3 | -5.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1066 | I | 39 | Very low | 41.4 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 59% | 0.585 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -159.4 | 129.1 | 150.3 | -93.2 | 140.8 | 0 | 0 | 0 | 105.8 | ||
| 1067 | P | 39.1 | Very low | 40.6 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 126.2 | 169.6 | 30.4 | -31.5 | 0 | 0 | 0 | 109.5 | ||
| 1068 | I | 35.9 | Very low | 39.7 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 64% | 0.641 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 127.3 | 169.1 | -58.7 | 176.7 | 0 | 0 | 0 | 106.9 | ||
| 1069 | P | 39.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137.7 | 176.1 | -22.7 | 34.2 | 0 | 0 | 0 | 112.5 | E1071 | P1069-E1071 PolarHBondContact O-N 2.98Š|
| 1070 | D | 33.3 | Very low | 37.7 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | -84.7 | 84.8 | 171 | -77.9 | -50.4 | 0 | 0 | 0 | 110.2 | ||||
| 1071 | E | 39 | Very low | 36.7 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -145.7 | 159.1 | 169.5 | -114 | 159.4 | -156.5 | 0 | 0 | 111.2 | P1069 | P1069-E1071 PolarHBondContact O-N 2.98Š| ||
| 1072 | D | 33.1 | Very low | 36.1 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 57.3 | 53.1 | -178.8 | -67.9 | -15.6 | 0 | 0 | 0 | 118.4 | S1074 | D1072-S1074 PolarHBondContact O-N 3.42Š| ||
| 1073 | L | 31.2 | Very low | 35.3 | Very low | 186 Ų | 186 | 129.4 Ų | 129.4 | 97% | 0.974 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 46.9 | 163.6 | -150.7 | 144.7 | 0 | 0 | 0 | 111.9 | ||
| 1074 | S | 33.8 | Very low | 34.7 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.5 | 9.5 | -167.7 | 62 | 0 | 0 | 0 | 0 | 117.9 | D1072 | D1072-S1074 PolarHBondContact O-N 3.42Š|
| 1075 | Y | 33.9 | Very low | 35 | Very low | 230 Ų | 230 | 133.1 Ų | 133.1 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -120.1 | 95.8 | 166.5 | -91.4 | -82.2 | 0 | 0 | 0 | 112.5 | ||||
| 1076 | A | 32 | Very low | 35.2 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | trans | -112.3 | 172.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1077 | V | 36 | Very low | 35.3 | Very low | 126 Ų | 126 | 132 Ų | 132 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | trans | 72.7 | 82.3 | 178.8 | -169.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1078 | D | 31.3 | Very low | 35.4 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | 171 | 105.8 | 95.3 | -103.1 | -29 | 0 | 0 | 0 | 112.8 | N1080 | D1078-N1080 PolarHBondContact OD1-ND2 2.97Š| |||
| 1079 | C | 29.6 | Very low | 35.7 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 91% | 0.905 | 70% | 0.695 | S | S | * | * | trans | -152.6 | 78.6 | 162.6 | -90.2 | 0 | 0 | 0 | 0 | 107.8 | E1081 | C1079-E1081 PolarHBondContact O-N 3.36Š| ||
| 1080 | N | 30.8 | Very low | 35.9 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | trans | -88.3 | 105.2 | -174 | -60.9 | -51.1 | 0 | 0 | 0 | 111.5 | D1078 T1083 | D1078-N1080 PolarHBondContact OD1-ND2 2.97Å; N1080-T1083 HydrophobicContact CB-CG2 4.46Å | ||
| 1081 | E | 31.6 | Very low | 36.4 | Very low | 201 Ų | 201 | 124.7 Ų | 124.7 | 94% | 0.939 | 67% | 0.669 | S | S | * | * | trans | -126.7 | 17.1 | 165.8 | -77.8 | -164.7 | 142.2 | 0 | 0 | 113 | C1079 | C1079-E1081 PolarHBondContact O-N 3.36Š| ||
| 1082 | S | 35.5 | Very low | 36.5 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 59% | 0.587 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -96.2 | -15.4 | 166.4 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | F1084 | S1082-F1084 VanDerWaalsContact C-N 3.28Å; S1082-F1084 PolarHBondContact O-N 3.17Å |
| 1083 | T | 34 | Very low | 36.8 | Very low | 75 Ų | 75 | 122 Ų | 122 | 46% | 0.46 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | 69 | 178.2 | 47 | 0 | 0 | 0 | 0 | 112.1 | N1080 D1087 | N1080-T1083 HydrophobicContact CB-CG2 4.46Å; T1083-D1087 VanDerWaalsContact CB-OD2 3.28Å; T1083-D1087 WeakPolarHBondContact CB-OD2 3.49Å |
| 1084 | F | 36 | Very low | 37.2 | Very low | 149 Ų | 149 | 116.8 Ų | 116.8 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.9 | -33.5 | 162.3 | -167.2 | -104.7 | 0 | 0 | 0 | 112.4 | S1082 | S1082-F1084 VanDerWaalsContact C-N 3.28Å; S1082-F1084 PolarHBondContact O-N 3.17Å |
| 1085 | I | 41.5 | Very low | 37.4 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 65% | 0.646 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.5 | -36.2 | 178.5 | -62 | 179.6 | 0 | 0 | 0 | 111.3 | I1089 | I1085-I1089 HydrophobicContact CG2-CD1 4.24Å; I1085-I1089 WeakPolarHBondContact O-CD1 3.46Å; I1085-I1089 VanDerWaalsContact O-CG1 3.29Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.28Å |
| 1086 | E | 42.5 | Very low | 37.5 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.3 | -29.5 | -179.2 | -65.9 | -175.2 | 138.8 | 0 | 0 | 113.3 | I1089 T1090 | E1086-I1089 PolarHBondContact O-N 2.84Å; E1086-T1090 WeakPolarHBondContact O-CB 3.28Å; E1086-T1090 PolarHBondContact O-N 3.26Å; E1086-T1090 PolarHBondContact O-OG1 3.2Å |
| 1087 | D | 41 | Very low | 37.6 | Very low | 83 Ų | 83 | 120.2 Ų | 120.2 | 44% | 0.444 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -74.1 | -34.1 | 177.1 | -76.4 | -51.4 | 0 | 0 | 0 | 113.7 | T1083 I1089 T1090 T1091 | T1083-D1087 VanDerWaalsContact CB-OD2 3.28Å; T1083-D1087 WeakPolarHBondContact CB-OD2 3.49Å; D1087-I1089 VanDerWaalsContact C-N 3.34Å; D1087-T1090 PolarHBondContact O-N 3.17Å; D1087-T1091 WeakPolarHBondContact O-CB 3.48Å; D1087-T1091 PolarHBondContact O-N 2.8Å; D1087-T1091 PolarHBondContact O-OG1 3.2Å |
| 1088 | Q | 41.9 | Very low | 37.7 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 50% | 0.5 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.3 | -31.3 | 172.3 | -68.5 | -166.1 | 29.7 | 0 | 0 | 112 | L1092 | Q1088-L1092 WeakPolarHBondContact O-CB 3.41Å; Q1088-L1092 WeakPolarHBondContact O-CG 3.48Å; Q1088-L1092 PolarHBondContact O-N 3.41Å |
| 1089 | I | 43.2 | Very low | 37.9 | Very low | 95 Ų | 95 | 124 Ų | 124 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.1 | -39.4 | 172.3 | -70 | 172.5 | 0 | 0 | 0 | 110.9 | I1085 E1086 D1087 Q1093 | I1085-I1089 HydrophobicContact CG2-CD1 4.24Å; I1085-I1089 WeakPolarHBondContact O-CD1 3.46Å; I1085-I1089 VanDerWaalsContact O-CG1 3.29Å; I1085-I1089 WeakPolarHBondContact O-CG1 3.28Å; E1086-I1089 PolarHBondContact O-N 2.84Å; D1087-I1089 VanDerWaalsContact C-N 3.34Å; I1089-Q1093 WeakPolarHBondContact O-CG 3.29Å; I1089-Q1093 PolarHBondContact O-N 3.29Å |
| 1090 | T | 43.4 | Very low | 38.1 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.6 | -41.2 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | E1086 D1087 L1092 Q1093 S1094 | E1086-T1090 WeakPolarHBondContact O-CB 3.28Å; E1086-T1090 PolarHBondContact O-N 3.26Å; E1086-T1090 PolarHBondContact O-OG1 3.2Å; D1087-T1090 PolarHBondContact O-N 3.17Å; T1090-L1092 VanDerWaalsContact C-N 3.34Å; T1090-L1092 PolarHBondContact O-N 2.92Å; T1090-Q1093 PolarHBondContact O-N 3.15Å; T1090-S1094 PolarHBondContact O-N 3.35Å |
| 1091 | T | 43.7 | Very low | 38.4 | Very low | 93 Ų | 93 | 128 Ų | 128 | 57% | 0.571 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.8 | -32.4 | 179.1 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | D1087 Q1093 S1094 | D1087-T1091 WeakPolarHBondContact O-CB 3.48Å; D1087-T1091 PolarHBondContact O-N 2.8Å; D1087-T1091 PolarHBondContact O-OG1 3.2Å; T1091-Q1093 VanDerWaalsContact C-N 3.27Å; T1091-Q1093 PolarHBondContact O-N 3.33Å; T1091-S1094 PolarHBondContact O-N 3.47Å; T1091-S1094 PolarHBondContact O-OG 3.11Å |
| 1092 | L | 39.7 | Very low | 38.5 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 72% | 0.723 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -5 | 172.7 | -72.9 | 171.7 | 0 | 0 | 0 | 114.1 | Q1088 T1090 | Q1088-L1092 WeakPolarHBondContact O-CB 3.41Å; Q1088-L1092 WeakPolarHBondContact O-CG 3.48Å; Q1088-L1092 PolarHBondContact O-N 3.41Å; T1090-L1092 VanDerWaalsContact C-N 3.34Å; T1090-L1092 PolarHBondContact O-N 2.92Å |
| 1093 | Q | 40.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 58% | 0.575 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -10.3 | 171.2 | -73.8 | 178.3 | -8.5 | 0 | 0 | 113.3 | I1089 T1090 T1091 N1097 | I1089-Q1093 WeakPolarHBondContact O-CG 3.29Å; I1089-Q1093 PolarHBondContact O-N 3.29Å; T1090-Q1093 PolarHBondContact O-N 3.15Å; T1091-Q1093 VanDerWaalsContact C-N 3.27Å; T1091-Q1093 PolarHBondContact O-N 3.33Å; Q1093-N1097 PolarHBondContact O-ND2 3.24Å |
| 1094 | S | 40.1 | Very low | 38.3 | Very low | 77 Ų | 77 | 127 Ų | 127 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -83.2 | -18.1 | 175.8 | 33.2 | 0 | 0 | 0 | 0 | 115.6 | T1090 T1091 | T1090-S1094 PolarHBondContact O-N 3.35Å; T1091-S1094 PolarHBondContact O-N 3.47Å; T1091-S1094 PolarHBondContact O-OG 3.11Å |
| 1095 | E | 37.9 | Very low | 38 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 85% | 0.846 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -0 | 177.1 | -67.7 | -157.9 | 136.3 | 0 | 0 | 114.7 | ||
| 1096 | L | 35.5 | Very low | 37.4 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 16.7 | 169.1 | -137.9 | 80.6 | 0 | 0 | 0 | 113.6 | ||
| 1097 | N | 34.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 123 Ų | 123 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | trans | -109.4 | 89.8 | 171.5 | -89.3 | -52.4 | 0 | 0 | 0 | 110.6 | Q1093 | Q1093-N1097 PolarHBondContact O-ND2 3.24Š| ||
| 1098 | K | 37.5 | Very low | 36.3 | Very low | 192 Ų | 192 | 124.5 Ų | 124.5 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | trans | -157.3 | 144.1 | 154.5 | -108 | 150.8 | -169.6 | 167.7 | 0 | 109.3 | ||||
| 1099 | D | 36.1 | Very low | 35.8 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | trans | 63.8 | 122.4 | -179.5 | -59.3 | 9.8 | 0 | 0 | 0 | 115.4 | ||||
| 1100 | N | 34 | Very low | 35.2 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | cis | -160.4 | 149.2 | -5.5 | -98 | -34.9 | 0 | 0 | 0 | 110 | ||||
| 1101 | Y | 35.8 | Very low | 35.2 | Very low | 204 Ų | 204 | 127.8 Ų | 127.8 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | trans | 37.7 | 145.1 | 138.4 | -69.4 | -104.3 | 0 | 0 | 0 | 121.3 | ||||
| 1102 | D | 34.7 | Very low | 35 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | cis | -172.2 | -178.1 | -12.7 | -153.5 | -23.9 | 0 | 0 | 0 | 108.9 | ||||
| 1103 | C | 32.5 | Very low | 34.8 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | 43.9 | 95.9 | 150.5 | -71.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1104 | T | 32.4 | Very low | 34.4 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | 57.6 | 108.5 | 90.2 | 65.1 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1105 | S | 29.7 | Very low | 34.1 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 86.3 | 153.1 | 130.6 | 76.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1106 | V | 28.6 | Very low | 33.9 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | 92 | 109.3 | 159.1 | -171.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1107 | S | 29.1 | Very low | 33.9 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | 59 | 126.9 | 145.9 | 78 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1108 | T | 30.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 48.2 | 128 | 133.8 | 60.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1109 | N | 33.1 | Very low | 33.9 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | trans | 47.5 | 100.8 | 141.9 | -56.9 | -7.9 | 0 | 0 | 0 | 118.9 | ||||
| 1110 | G | 29.9 | Very low | 33.8 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | 170.9 | 157.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1111 | P | 43.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | trans | -108.7 | -173.7 | -175.5 | 42.1 | -35.4 | 0 | 0 | 0 | 115 | ||||
| 1112 | D | 38.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 93.2 | 104.9 | 154.5 | -62.5 | -25.3 | 0 | 0 | 0 | 122.4 | ||||
| 1113 | S | 35.9 | Very low | 33.7 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | 90.5 | 153.5 | 128.4 | 79.2 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1114 | G | 32.4 | Very low | 33.8 | Very low | 62 Ų | 62 | 120 Ų | 120 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | 77.2 | 92.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1115 | I | 33.6 | Very low | 34 | Very low | 157 Ų | 157 | 123.8 Ų | 123.8 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | cis | 78.7 | 135.3 | 40.7 | -43.8 | 161.5 | 0 | 0 | 0 | 113.6 | ||||
| 1116 | V | 33.9 | Very low | 34.2 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 80.3 | 132.8 | 172.2 | -164.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1117 | S | 35.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -162.2 | 151 | -30.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1118 | E | 32.9 | Very low | 34.9 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -40.6 | 178.5 | 148.4 | -98.9 | -171.7 | -127.3 | 0 | 0 | 116.8 | N1120 | E1118-N1120 PolarHBondContact OE2-ND2 2.72Š| ||
| 1119 | P | 39.2 | Very low | 35.2 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | cis | -142.6 | 169.8 | 20.3 | 27.7 | -1.8 | 0 | 0 | 0 | 120.7 | ||||
| 1120 | N | 33.9 | Very low | 35.3 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 5.5 | 157.5 | 138.9 | -47 | -73.2 | 0 | 0 | 0 | 121.2 | E1118 | E1118-N1120 PolarHBondContact OE2-ND2 2.72Š| ||
| 1121 | G | 33.6 | Very low | 35.6 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | -161.6 | -136.3 | 8.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1122 | V | 36.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | cis | -160.7 | 116.1 | -3.3 | 176.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1123 | K | 33.3 | Very low | 35.3 | Very low | 208 Ų | 208 | 135.4 Ų | 135.4 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | 71.7 | 116.3 | 81.5 | -95.2 | -178.8 | -178.5 | 173.3 | 0 | 119.1 | |||||
| 1124 | G | 34.3 | Very low | 35.3 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 162.8 | 128.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1125 | K | 36.9 | Very low | 35.6 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | cis | 64.5 | 133 | 14.1 | -74 | -165.6 | 176 | -169.8 | 0 | 114.2 | ||||
| 1126 | T | 34 | Very low | 35.8 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -153.7 | -175.1 | 14.9 | -29.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1127 | V | 35.1 | Very low | 35.9 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 120.3 | 137.5 | 156.1 | 171.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1128 | T | 36.3 | Very low | 36 | Very low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | cis | -158.4 | 167.5 | -25.2 | -84.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1129 | Q | 38 | Very low | 36 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -56 | 163.5 | 172 | -58.3 | 159.1 | -24.7 | 0 | 0 | 115.3 | ||||
| 1130 | Q | 35.6 | Very low | 35.8 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -152.1 | 170.4 | 78.8 | -87.3 | 179.6 | -4.1 | 0 | 0 | 115.8 | |||||
| 1131 | L | 36.3 | Very low | 35.8 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -148.2 | -176.5 | -162.6 | -89.1 | 164.1 | 0 | 0 | 0 | 112.3 | ||||
| 1132 | Q | 37.5 | Very low | 35.8 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 81.6 | 151.8 | 167.6 | -56.2 | -173 | -10.4 | 0 | 0 | 115.6 | ||||
| 1133 | T | 37 | Very low | 35.8 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | cis | -159.9 | 176.9 | -4.6 | 6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1134 | S | 36.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | cis | -161.1 | 134.4 | -1.6 | 38.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1135 | I | 38.4 | Very low | 35.8 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | 74.1 | 135.1 | 73.4 | -55.7 | 160.2 | 0 | 0 | 0 | 115.4 | |||||
| 1136 | H | 36.9 | Very low | 35.5 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 115.9 | 112.8 | 164.8 | -68.7 | -57.4 | 0 | 0 | 0 | 114.4 | ||||
| 1137 | D | 37.6 | Very low | 35.5 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 95.5 | 145.7 | 59.2 | -78.9 | -6.7 | 0 | 0 | 0 | 111.3 | |||||
| 1138 | S | 35.9 | Very low | 35.2 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | cis | -155.4 | 173.9 | 10.7 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1139 | E | 33.6 | Very low | 35.1 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -88.5 | 160.6 | -178.9 | -48.4 | 172.8 | 113.8 | 0 | 0 | 115.1 | ||||
| 1140 | K | 34.3 | Very low | 34.9 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | -167.7 | 148.9 | 127.9 | -109.9 | 161.5 | -173.1 | 170.1 | 0 | 115 | |||||
| 1141 | P | 35 | Very low | 34.5 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -120.3 | -173.8 | -171.7 | 43.3 | -33.3 | 0 | 0 | 0 | 116.5 | ||||
| 1142 | T | 33.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 79 | 113.8 | 164.5 | 64.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1143 | K | 35.8 | Very low | 34.2 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | -166.2 | 174.2 | 101.3 | -104.7 | 177.5 | -178.5 | 179.6 | 0 | 112.4 | |||||
| 1144 | V | 31.4 | Very low | 34 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -117.9 | 163.8 | -165.7 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1145 | V | 35.2 | Very low | 34 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | 124.6 | 112.8 | 151.5 | 178.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1146 | N | 31.1 | Very low | 33.9 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 25.2 | 126.5 | 145.9 | -50.1 | -6 | 0 | 0 | 0 | 120.8 | ||||
| 1147 | S | 33.8 | Very low | 33.9 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | -170.6 | 141.4 | 116.3 | 34 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1148 | L | 29.9 | Very low | 33.8 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 99% | 0.99 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 120.4 | 167.4 | -74.5 | 142.2 | 0 | 0 | 0 | 108.7 | ||||
| 1149 | G | 33.7 | Very low | 33.8 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -148.5 | 90.6 | -168 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1150 | K | 33.3 | Very low | 34.1 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -46.2 | 158 | -179.7 | -63 | 167.1 | 174.3 | 170.5 | 0 | 117.3 | ||||
| 1151 | C | 28.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | 93.2 | 109.8 | 144.8 | -75.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1152 | K | 33.7 | Very low | 34.4 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | 70.7 | 125.9 | 120.9 | -66.6 | -178.3 | 179 | -177.8 | 0 | 121.6 | |||||
| 1153 | N | 33.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 63.6 | 110.1 | 138 | -56.4 | 7.4 | 0 | 0 | 0 | 120.2 | ||||
| 1154 | N | 32.9 | Very low | 34.8 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | -164.7 | 148.6 | 102.5 | -122.6 | -3.7 | 0 | 0 | 0 | 113.3 | |||||
| 1155 | P | 35 | Very low | 35.7 | Very low | 93 Ų | 93 | 146 Ų | 146 | 60% | 0.604 | 80% | 0.802 | S | S | * | * | trans | -106.2 | -179.7 | 173.3 | 39.7 | -32.8 | 0 | 0 | 0 | 114 | ||||
| 1156 | N | 36.2 | Very low | 35.9 | Very low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | 77.6 | 150.8 | -179.1 | -43.8 | -53.9 | 0 | 0 | 0 | 113.5 | ||||
| 1157 | V | 37.7 | Very low | 36.2 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | cis | -153.2 | 129.9 | 36.3 | 168.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1158 | S | 35.8 | Very low | 36.3 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | 56 | 146.4 | 153.8 | 81.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1159 | G | 36 | Very low | 36.7 | Very low | 74 Ų | 74 | 156.1 Ų | 156.1 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -165.4 | -0.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1160 | K | 38.9 | Very low | 36.8 | Very low | 202 Ų | 202 | 160.8 Ų | 160.8 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | 56.8 | 103.8 | 170.2 | -65.1 | -179.8 | 178.7 | 175.6 | 0 | 120.6 | ||||
| 1161 | N | 37.4 | Very low | 37 | Very low | 139 Ų | 139 | 158.3 Ų | 158.3 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | 53.3 | 123 | 124.3 | -72 | 7.8 | 0 | 0 | 0 | 124.8 | |||||
| 1162 | Q | 38.4 | Very low | 37.6 | Very low | 171 Ų | 171 | 161.9 Ų | 161.9 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | trans | 71.6 | 115.6 | 130 | -64.7 | 178.6 | -6 | 0 | 0 | 121.7 | ||||
| 1163 | R | 40.7 | Very low | 37.9 | Very low | 246 Ų | 246 | 160.9 Ų | 160.9 | 93% | 0.928 | 83% | 0.826 | S | S | * | * | -166.2 | 119.6 | 99.2 | -107.8 | 177.1 | 174 | -177.5 | -2.1 | 115.5 | |||||
| 1164 | S | 37.4 | Very low | 38.2 | Very low | 107 Ų | 107 | 162.4 Ų | 162.4 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | 2 | 134.5 | 150 | -173.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1165 | K | 50.2 | Low | 38.7 | Very low | 198 Ų | 198 | 162.4 Ų | 162.4 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | -165.4 | 127.4 | 108 | -106 | 173.9 | -177.1 | 179.5 | 0 | 114.2 | |||||
| 1166 | R | 40.1 | Very low | 39 | Very low | 324 Ų | 324 | 168.7 Ų | 168.7 | 100% | 1.223 | 85% | 0.849 | S | S | * | * | trans | 62.9 | 0 | -179.1 | -77.4 | -172.2 | 171.1 | 174.7 | -2.1 | 115.5 |
Retrieved 1,166 of 1,166 residues in 1066.4 ms
(Link to these results)