| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.5 | Very low | 85.6 | Confident | 170 Ų | 170 | 74.2 Ų | 74.2 | 84% | 0.837 | 41% | 0.407 | S | S | * | . | 0 | 138.2 | 0 | -73.2 | 170 | -179.5 | 0 | 0 | 108 | Y164 Y202 | M1-Y164 HydrophobicContact CE-CE1 4.28Å; M1-Y202 HydrophobicContact CE-CD2 3.67Å; M1-Y202 HydrophobicContact CE-CE2 4.16Å | |||
| 2 | G | 56.4 | Low | 86.5 | Confident | 59 Ų | 59 | 84.2 Ų | 84.2 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | trans | -64.7 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C4 | G2-C4 PolarHBondContact O-N 2.89Š| ||
| 3 | N | 71.8 | Confident | 87.2 | Confident | 115 Ų | 115 | 90 Ų | 90 | 62% | 0.615 | 47% | 0.472 | S | S | * | . | trans | -63.3 | 98.6 | 174.5 | -172.5 | 23 | 0 | 0 | 0 | 109.6 | Q5 T282 | N3-Q5 PolarHBondContact ND2-NE2 3.05Å; N3-Q5 PolarHBondContact O-N 3.1Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.36Å; N3-Q5 PolarHBondContact OD1-NE2 2.95Å; N3-T282 PolarHBondContact O-OG1 3.1Å | ||
| 4 | C | 87.6 | Confident | 87.9 | Confident | 48 Ų | 48 | 87.1 Ų | 87.1 | 32% | 0.324 | 45% | 0.454 | S | S | . | . | trans | -76.8 | 112.4 | 171 | -67.8 | 0 | 0 | 0 | 0 | 108.5 | G2 D279 | G2-C4 PolarHBondContact O-N 2.89Å; C4-D279 HydrophobicContact CB-CB 3.94Å | ||
| 5 | Q | 95.2 | Very high | 88.6 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | trans | -116.5 | 126 | -179.2 | -65.3 | -147.3 | -28.1 | 0 | 0 | 110.8 | N3 F278 D279 L280 E281 T282 | N3-Q5 PolarHBondContact ND2-NE2 3.05Å; N3-Q5 PolarHBondContact O-N 3.1Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.36Å; N3-Q5 PolarHBondContact OD1-NE2 2.95Å; Q5-F278 CarbonylContact C-O 3.53Å; Q5-D279 CarbonylContact O-C 3.36Å; Q5-D279 WeakPolarHBondContact O-CA 3.41Å; Q5-L280 PolarHBondContact O-N 2.95Å; Q5-E281 HydrophobicContact CB-CB 3.78Å; Q5-E281 HydrophobicContact CB-CG 4.26Å; Q5-E281 WeakPolarHBondContact O-CA 3.27Å; Q5-E281 WeakPolarHBondContact O-CB 3.46Å; Q5-E281 PolarHBondContact O-N 3.32Å; Q5-T282 PolarHBondContact N-OG1 2.87Å | ||
| 6 | P | 96.8 | Very high | 89.3 | Confident | 29 Ų | 29 | 83.6 Ų | 83.6 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | trans | -79.3 | 162.8 | 175 | 34.2 | -34.6 | 0 | 0 | 0 | 110.7 | F9 S276 E277 | P6-F9 HydrophobicContact CG-CD1 4.12Å; P6-F9 HydrophobicContact CG-CE1 3.48Å; P6-F9 VanDerWaalsContact CG-CE1 3.48Å; P6-F9 HydrophobicContact CG-CE2 4.34Å; P6-F9 HydrophobicContact CG-CZ 3.6Å; P6-F9 WeakPolarHBondContact O-CE2 3.43Å; P6-F9 WeakPolarHBondContact O-CZ 3.42Å; P6-S276 WeakPolarHBondContact CA-O 3.42Å; P6-S276 WeakPolarHBondContact CB-O 3.49Å; P6-E277 VanDerWaalsContact CB-C 3.42Å | ||
| 7 | T | 97.5 | Very high | 89.8 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.018 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -94.3 | -38.4 | 168 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | F9 S276 L280 E281 K284 I314 H316 | T7-F9 WeakPolarHBondContact O-CD2 3.38Å; T7-F9 WeakPolarHBondContact O-CE2 3.23Å; T7-S276 PolarHBondContact N-O 3.35Å; T7-S276 PolarHBondContact OG1-O 3.04Å; T7-L280 HydrophobicContact CG2-CB 3.88Å; T7-L280 HydrophobicContact CG2-CD2 4.09Å; T7-L280 HydrophobicContact CG2-CG 3.92Å; T7-L280 WeakPolarHBondContact OG1-CD2 3.5Å; T7-E281 HydrophobicContact CG2-CB 4.23Å; T7-E281 WeakPolarHBondContact CG2-OE2 3.46Å; T7-K284 HydrophobicContact CG2-CD 4.01Å; T7-I314 WeakPolarHBondContact CB-O 3.43Å; T7-I314 PolarHBondContact OG1-O 2.97Å; T7-H316 PolarHBondContact O-CD2 3.16Å; T7-H316 PolarHBondContact O-NE2 2.81Å; T7-H316 VanDerWaalsContact O-NE2 3.1Å |
| 8 | V | 97 | Very high | 90.3 | Very high | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.024 | 43% | 0.43 | C | S | . | . | trans | -96.2 | 130.9 | -178.3 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | S276 E277 I314 | V8-S276 PolarHBondContact N-O 3.35Å; V8-E277 HydrophobicContact CB-CG 3.89Å; V8-E277 HydrophobicContact CG1-CG 3.95Å; V8-I314 HydrophobicContact CG2-CG2 4.12Å | ||
| 9 | F | 96.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 76.6 Ų | 76.6 | 54% | 0.535 | 41% | 0.411 | S | S | . | . | trans | -123.6 | 159.3 | 178.3 | -61.1 | -93.2 | 0 | 0 | 0 | 110.2 | P6 T7 Y11 | P6-F9 HydrophobicContact CG-CD1 4.12Å; P6-F9 HydrophobicContact CG-CE1 3.48Å; P6-F9 VanDerWaalsContact CG-CE1 3.48Å; P6-F9 HydrophobicContact CG-CE2 4.34Å; P6-F9 HydrophobicContact CG-CZ 3.6Å; P6-F9 WeakPolarHBondContact O-CE2 3.43Å; P6-F9 WeakPolarHBondContact O-CZ 3.42Å; T7-F9 WeakPolarHBondContact O-CD2 3.38Å; T7-F9 WeakPolarHBondContact O-CE2 3.23Å; F9-Y11 PolarHBondContact O-N 3.06Å | ||
| 10 | P | 97.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | trans | -54.9 | 127.6 | 167.7 | -23.4 | 34.1 | 0 | 0 | 0 | 110.7 | E12 | P10-E12 PolarHBondContact O-N 3.44Š| ||
| 11 | Y | 97.4 | Very high | 91.5 | Very high | 93 Ų | 93 | 74.9 Ų | 74.9 | 37% | 0.365 | 40% | 0.396 | S | S | . | . | trans | -68.7 | 124.9 | 176.6 | -167.5 | -103.8 | 0 | 0 | 0 | 110.3 | F9 E13 F14 N43 R44 Q48 | F9-Y11 PolarHBondContact O-N 3.06Å; Y11-E13 HydrophobicContact CD1-CB 4.33Å; Y11-E13 HydrophobicContact CE1-CB 3.74Å; Y11-E13 WeakPolarHBondContact CE1-O 3.35Å; Y11-F14 HydrophobicContact CD1-CB 4.45Å; Y11-F14 WeakPolarHBondContact O-CB 3.5Å; Y11-N43 WeakPolarHBondContact CB-O 3.48Å; Y11-N43 HydrophobicContact CD2-CB 4.46Å; Y11-R44 VanDerWaalsContact CD1-CZ 3.5Å; Y11-Q48 PolarHBondContact O-NE2 3.16Å | ||
| 12 | E | 96.3 | Very high | 93.9 | Very high | 194 Ų | 194 | 68.8 Ų | 68.8 | 91% | 0.907 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -40.5 | -172.1 | -64.1 | -172.2 | 164.6 | 0 | 0 | 112.9 | P10 F14 | P10-E12 PolarHBondContact O-N 3.44Å; E12-F14 PolarHBondContact O-N 3.29Å |
| 13 | E | 95.7 | Very high | 95.9 | Very high | 160 Ų | 160 | 66 Ų | 66 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 40.3 | -179.6 | -60.2 | -175.1 | 166.8 | 0 | 0 | 111.8 | Y11 D15 | Y11-E13 HydrophobicContact CD1-CB 4.33Å; Y11-E13 HydrophobicContact CE1-CB 3.74Å; Y11-E13 WeakPolarHBondContact CE1-O 3.35Å; E13-D15 PolarHBondContact O-N 3.49Å; E13-D15 VanDerWaalsContact O-N 3.16Å |
| 14 | F | 98.1 | Very high | 97.1 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | trans | -65.9 | 115.9 | -174.2 | 179.1 | -122.3 | 0 | 0 | 0 | 112.2 | Y11 E12 V16 D19 Q48 E51 I52 | Y11-F14 HydrophobicContact CD1-CB 4.45Å; Y11-F14 WeakPolarHBondContact O-CB 3.5Å; E12-F14 PolarHBondContact O-N 3.29Å; F14-V16 HydrophobicContact CE1-CB 3.97Å; F14-V16 HydrophobicContact CE2-CB 4.23Å; F14-V16 HydrophobicContact CZ-CB 3.62Å; F14-V16 HydrophobicContact CZ-CG2 3.88Å; F14-D19 WeakPolarHBondContact CD2-OD2 3.39Å; F14-D19 VanDerWaalsContact CE2-OD2 3.27Å; F14-D19 WeakPolarHBondContact CE2-OD2 3.3Å; F14-Q48 VanDerWaalsContact CB-NE2 3.33Å; F14-Q48 HydrophobicContact CD1-CG 3.94Å; F14-Q48 HydrophobicContact CD2-CB 4.27Å; F14-Q48 HydrophobicContact CD2-CG 4.15Å; F14-Q48 HydrophobicContact CE1-CB 4.26Å; F14-Q48 HydrophobicContact CE1-CG 3.98Å; F14-Q48 HydrophobicContact CE2-CB 3.9Å; F14-Q48 HydrophobicContact CE2-CG 4.19Å; F14-Q48 HydrophobicContact CG-CG 4.02Å; F14-Q48 HydrophobicContact CZ-CB 3.89Å; F14-Q48 HydrophobicContact CZ-CG 4.1Å; F14-E51 HydrophobicContact CE1-CB 4.13Å; F14-E51 WeakPolarHBondContact CE1-OE2 3.38Å; F14-E51 HydrophobicContact CZ-CB 4.02Å; F14-I52 HydrophobicContact CE2-CD1 4.06Å; F14-I52 HydrophobicContact CE2-CG1 3.95Å; F14-I52 HydrophobicContact CZ-CG1 4.11Å | ||
| 15 | D | 98.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | trans | -122.4 | 96.4 | 170.2 | -179.7 | -14.4 | 0 | 0 | 0 | 108.6 | E13 V17 A18 D19 | E13-D15 PolarHBondContact O-N 3.49Å; E13-D15 VanDerWaalsContact O-N 3.16Å; D15-V17 PolarHBondContact O-N 3.33Å; D15-V17 WeakPolarHBondContact OD1-CA 3.37Å; D15-V17 WeakPolarHBondContact OD1-CB 3.26Å; D15-V17 PolarHBondContact OD1-N 2.95Å; D15-A18 HydrophobicContact CB-CB 3.85Å; D15-A18 WeakPolarHBondContact O-CB 2.86Å; D15-A18 PolarHBondContact O-N 3.41Å; D15-A18 VanDerWaalsContact O-N 3.09Å; D15-A18 PolarHBondContact OD1-N 3.03Å; D15-D19 PolarHBondContact O-N 3Å | ||
| 16 | V | 98.6 | Very high | 97.7 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.6 | -33.5 | 179.3 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | F14 D19 I20 E51 I52 A55 | F14-V16 HydrophobicContact CE1-CB 3.97Å; F14-V16 HydrophobicContact CE2-CB 4.23Å; F14-V16 HydrophobicContact CZ-CB 3.62Å; F14-V16 HydrophobicContact CZ-CG2 3.88Å; V16-D19 PolarHBondContact O-N 3.35Å; V16-I20 HydrophobicContact CG2-CG2 4.46Å; V16-I20 WeakPolarHBondContact O-CG1 3.48Å; V16-I20 WeakPolarHBondContact O-CG2 3.04Å; V16-I20 PolarHBondContact O-N 3.29Å; V16-E51 HydrophobicContact CG2-CB 4.33Å; V16-I52 HydrophobicContact CG2-CG1 4.12Å; V16-A55 HydrophobicContact CG1-CB 4.36Å; V16-A55 HydrophobicContact CG2-CB 3.51Å |
| 17 | V | 98.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.3 | -35.6 | -178.9 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | D15 I20 K21 | D15-V17 PolarHBondContact O-N 3.33Å; D15-V17 WeakPolarHBondContact OD1-CA 3.37Å; D15-V17 WeakPolarHBondContact OD1-CB 3.26Å; D15-V17 PolarHBondContact OD1-N 2.95Å; V17-I20 WeakPolarHBondContact O-CG1 3.41Å; V17-K21 HydrophobicContact CG1-CD 4.41Å; V17-K21 WeakPolarHBondContact O-CD 3.39Å; V17-K21 WeakPolarHBondContact O-CG 3.45Å; V17-K21 PolarHBondContact O-N 3.18Å |
| 18 | A | 98.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 73.7 Ų | 73.7 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D15 K21 A22 | D15-A18 HydrophobicContact CB-CB 3.85Å; D15-A18 WeakPolarHBondContact O-CB 2.86Å; D15-A18 PolarHBondContact O-N 3.41Å; D15-A18 VanDerWaalsContact O-N 3.09Å; D15-A18 PolarHBondContact OD1-N 3.03Å; A18-K21 WeakPolarHBondContact O-CB 3.39Å; A18-K21 PolarHBondContact O-N 3.12Å; A18-A22 WeakPolarHBondContact O-CB 3.42Å; A18-A22 PolarHBondContact O-N 3.05Å |
| 19 | D | 98.6 | Very high | 97 | Very high | 11 Ų | 11 | 76.6 Ų | 76.6 | 6% | 0.059 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | -178.8 | -72.5 | -19 | 0 | 0 | 0 | 111.7 | F14 D15 V16 K21 A22 I23 I40 R44 I52 | F14-D19 WeakPolarHBondContact CD2-OD2 3.39Å; F14-D19 VanDerWaalsContact CE2-OD2 3.27Å; F14-D19 WeakPolarHBondContact CE2-OD2 3.3Å; D15-D19 PolarHBondContact O-N 3Å; V16-D19 PolarHBondContact O-N 3.35Å; D19-K21 VanDerWaalsContact C-N 3.27Å; D19-K21 PolarHBondContact O-N 3.11Å; D19-A22 PolarHBondContact O-N 2.85Å; D19-A22 VanDerWaalsContact O-N 3.1Å; D19-I23 WeakPolarHBondContact O-CG1 3.28Å; D19-I23 PolarHBondContact O-N 3.02Å; D19-I40 HydrophobicContact CB-CG2 4.06Å; D19-R44 IonicContact OD1-CZ 3.75Å; D19-R44 IonicContact OD1-NE 3.64Å; D19-R44 IonicContact OD1-NH2 2.98Å; D19-R44 PolarHBondContact OD1-NH2 3.23Å; D19-R44 IonicContact OD2-CZ 2.66Å; D19-R44 IonicContact OD2-NE 3.56Å; D19-R44 PolarHBondContact OD2-NE 2.91Å; D19-R44 IonicContact OD2-NH2 3.58Å; D19-R44 PolarHBondContact OD2-NH2 2.95Å; D19-I52 HydrophobicContact CB-CD1 4.03Å; D19-I52 HydrophobicContact CB-CG1 4.12Å |
| 20 | I | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.3 | -31.3 | 179.6 | 67.6 | -175.1 | 0 | 0 | 0 | 112.5 | V16 V17 R24 I52 A55 Y56 K59 Y60 | V16-I20 HydrophobicContact CG2-CG2 4.46Å; V16-I20 WeakPolarHBondContact O-CG1 3.48Å; V16-I20 WeakPolarHBondContact O-CG2 3.04Å; V16-I20 PolarHBondContact O-N 3.29Å; V17-I20 WeakPolarHBondContact O-CG1 3.41Å; I20-R24 VanDerWaalsContact O-CB 3.26Å; I20-R24 WeakPolarHBondContact O-CB 3.2Å; I20-R24 PolarHBondContact O-N 3.16Å; I20-I52 HydrophobicContact CG2-CG2 4.02Å; I20-I52 WeakPolarHBondContact CG2-O 3.44Å; I20-A55 HydrophobicContact CD1-CB 4.05Å; I20-A55 WeakPolarHBondContact CD1-O 3.49Å; I20-A55 HydrophobicContact CG2-CB 4.24Å; I20-Y56 HydrophobicContact CB-CD2 3.88Å; I20-Y56 HydrophobicContact CG2-CD2 4.17Å; I20-K59 HydrophobicContact CD1-CB 4.12Å; I20-K59 HydrophobicContact CD1-CD 3.45Å; I20-K59 VanDerWaalsContact CD1-CD 3.45Å; I20-K59 HydrophobicContact CD1-CG 4.48Å; I20-K59 HydrophobicContact CG1-CD 4.17Å; I20-Y60 HydrophobicContact CB-CE2 4.19Å; I20-Y60 HydrophobicContact CD1-CE2 4.4Å; I20-Y60 HydrophobicContact CG1-CE2 4.14Å |
| 21 | K | 98.4 | Very high | 96.1 | Very high | 116 Ų | 116 | 79.9 Ų | 79.9 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 174 | -75.9 | 172.3 | -175.9 | 170.1 | 0 | 111 | V17 A18 D19 K25 K59 | V17-K21 HydrophobicContact CG1-CD 4.41Å; V17-K21 WeakPolarHBondContact O-CD 3.39Å; V17-K21 WeakPolarHBondContact O-CG 3.45Å; V17-K21 PolarHBondContact O-N 3.18Å; A18-K21 WeakPolarHBondContact O-CB 3.39Å; A18-K21 PolarHBondContact O-N 3.12Å; D19-K21 VanDerWaalsContact C-N 3.27Å; D19-K21 PolarHBondContact O-N 3.11Å; K21-K25 WeakPolarHBondContact O-CB 3.2Å; K21-K25 PolarHBondContact O-N 3.5Å; K21-K59 VanDerWaalsContact CE-NZ 3.27Å |
| 22 | A | 98.5 | Very high | 96 | Very high | 41 Ų | 41 | 76.5 Ų | 76.5 | 34% | 0.339 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.1 | -45.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A18 D19 K25 A26 I40 | A18-A22 WeakPolarHBondContact O-CB 3.42Å; A18-A22 PolarHBondContact O-N 3.05Å; D19-A22 PolarHBondContact O-N 2.85Å; D19-A22 VanDerWaalsContact O-N 3.1Å; A22-K25 WeakPolarHBondContact O-CB 3.29Å; A22-K25 PolarHBondContact O-N 2.8Å; A22-A26 WeakPolarHBondContact O-CB 3.26Å; A22-A26 PolarHBondContact O-N 2.89Å; A22-I40 HydrophobicContact CB-CD1 3.57Å |
| 23 | I | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | 173.5 | -65.3 | 169 | 0 | 0 | 0 | 110.7 | D19 K25 A26 C27 I40 L41 I52 Y56 L64 | D19-I23 WeakPolarHBondContact O-CG1 3.28Å; D19-I23 PolarHBondContact O-N 3.02Å; I23-K25 PolarHBondContact O-N 3.46Å; I23-A26 WeakPolarHBondContact O-CB 3.49Å; I23-A26 PolarHBondContact O-N 2.99Å; I23-C27 PolarHBondContact O-N 3.5Å; I23-C27 PolarHBondContact O-SG 3.01Å; I23-I40 HydrophobicContact CD1-CG2 4.13Å; I23-I40 HydrophobicContact CG1-CD1 3.77Å; I23-I40 HydrophobicContact CG1-CG2 4.42Å; I23-L41 HydrophobicContact CD1-CD2 4.21Å; I23-I52 HydrophobicContact CD1-CG2 3.72Å; I23-Y56 HydrophobicContact CG2-CE2 4.2Å; I23-L64 HydrophobicContact CG2-CD1 3.72Å |
| 24 | R | 97.7 | Very high | 96.2 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 32% | 0.317 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.6 | -36 | 177.9 | -174.5 | 63.6 | 170.1 | -167.4 | -8.5 | 112.3 | I20 K28 Y56 Y60 D62 | I20-R24 VanDerWaalsContact O-CB 3.26Å; I20-R24 WeakPolarHBondContact O-CB 3.2Å; I20-R24 PolarHBondContact O-N 3.16Å; R24-K28 WeakPolarHBondContact O-CB 3.42Å; R24-K28 PolarHBondContact O-N 3.05Å; R24-Y56 HydrophobicContact CB-CE2 4.03Å; R24-Y56 WeakPolarHBondContact CD-OH 3.47Å; R24-Y56 PolarHBondContact NH1-OH 3.46Å; R24-Y60 HydrophobicContact CB-CE2 4.03Å; R24-Y60 HydrophobicContact CG-CE1 4.16Å; R24-Y60 HydrophobicContact CG-CE2 4.29Å; R24-D62 IonicContact CZ-OD2 3.29Å; R24-D62 IonicContact NH1-OD2 3.17Å; R24-D62 PolarHBondContact NH1-OD2 2.89Å; R24-D62 IonicContact NH2-OD2 2.79Å; R24-D62 PolarHBondContact NH2-OD2 3.44Å |
| 25 | K | 98 | Very high | 96.2 | Very high | 168 Ų | 168 | 66.9 Ų | 66.9 | 73% | 0.73 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70 | -40.7 | 175.9 | -177.8 | -173.6 | 172 | -165.2 | 0 | 111.2 | K21 A22 I23 C27 K28 | K21-K25 WeakPolarHBondContact O-CB 3.2Å; K21-K25 PolarHBondContact O-N 3.5Å; A22-K25 WeakPolarHBondContact O-CB 3.29Å; A22-K25 PolarHBondContact O-N 2.8Å; I23-K25 PolarHBondContact O-N 3.46Å; K25-C27 VanDerWaalsContact C-N 3.27Å; K25-C27 PolarHBondContact O-N 3.45Å; K25-K28 PolarHBondContact O-N 3.2Å; K25-K28 VanDerWaalsContact O-N 3.15Å |
| 26 | A | 97.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -34.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A22 I23 T32 D33 A36 I37 | A22-A26 WeakPolarHBondContact O-CB 3.26Å; A22-A26 PolarHBondContact O-N 2.89Å; I23-A26 WeakPolarHBondContact O-CB 3.49Å; I23-A26 PolarHBondContact O-N 2.99Å; A26-T32 WeakPolarHBondContact O-CA 3.48Å; A26-D33 HydrophobicContact CB-CB 3.92Å; A26-D33 PolarHBondContact O-N 2.94Å; A26-A36 HydrophobicContact CB-CB 4Å; A26-I37 HydrophobicContact CB-CD1 4.47Å; A26-I37 HydrophobicContact CB-CG1 4.01Å |
| 27 | C | 96.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.8 | 176.5 | -61.3 | 0 | 0 | 0 | 0 | 114.3 | I23 K25 V67 E71 | I23-C27 PolarHBondContact O-N 3.5Å; I23-C27 PolarHBondContact O-SG 3.01Å; K25-C27 VanDerWaalsContact C-N 3.27Å; K25-C27 PolarHBondContact O-N 3.45Å; C27-V67 HydrophobicContact CB-CG1 4.04Å; C27-E71 HydrophobicContact CB-CG 3.87Å |
| 28 | K | 92.6 | Very high | 96.2 | Very high | 173 Ų | 173 | 59.5 Ų | 59.5 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -108.1 | 119.6 | -172.9 | -172.8 | -179.5 | -178.1 | 179.3 | 0 | 111.9 | R24 K25 | R24-K28 WeakPolarHBondContact O-CB 3.42Å; R24-K28 PolarHBondContact O-N 3.05Å; K25-K28 PolarHBondContact O-N 3.2Å; K25-K28 VanDerWaalsContact O-N 3.15Å |
| 29 | G | 87.6 | Confident | 96.2 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 67% | 0.67 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 127.2 | -152.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 30 | F | 84.1 | Confident | 96.1 | Very high | 227 Ų | 227 | 61.6 Ų | 61.6 | 100% | 0.996 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -92.7 | 113 | 171.5 | -172.1 | -94.7 | 0 | 0 | 0 | 108.6 | ||
| 31 | G | 90.3 | Very high | 96.1 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 85.6 | 172.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 32 | T | 96.3 | Very high | 96.1 | Very high | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | trans | -115.7 | 146.6 | -175.8 | -50.5 | 0 | 0 | 0 | 0 | 109.5 | A26 E34 I37 E71 L72 | A26-T32 WeakPolarHBondContact O-CA 3.48Å; T32-E34 HydrophobicContact CG2-CG 4.41Å; T32-E34 PolarHBondContact O-N 3.31Å; T32-I37 HydrophobicContact CG2-CD1 3.59Å; T32-E71 HydrophobicContact CG2-CB 4.16Å; T32-E71 PolarHBondContact OG1-O 3.4Å; T32-E71 VanDerWaalsContact OG1-O 3.09Å; T32-E71 PolarHBondContact OG1-OE2 2.68Å; T32-L72 HydrophobicContact CG2-CD2 3.99Å | ||
| 33 | D | 97.9 | Very high | 96 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | trans | -92.1 | 83.9 | 166.9 | -172.7 | -15.8 | 0 | 0 | 0 | 109.4 | A26 Q35 A36 I37 | A26-D33 HydrophobicContact CB-CB 3.92Å; A26-D33 PolarHBondContact O-N 2.94Å; D33-Q35 PolarHBondContact O-N 3.15Å; D33-Q35 PolarHBondContact OD1-N 2.92Å; D33-A36 HydrophobicContact CB-CB 4.17Å; D33-A36 PolarHBondContact O-N 2.84Å; D33-A36 PolarHBondContact OD1-N 2.96Å; D33-I37 PolarHBondContact O-N 3.12Å | ||
| 34 | E | 98.1 | Very high | 96 | Very high | 54 Ų | 54 | 57.1 Ų | 57.1 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -30 | -176.7 | -58.7 | 87.2 | 177.8 | 0 | 0 | 112.1 | T32 I37 I38 L72 F76 D306 | T32-E34 HydrophobicContact CG2-CG 4.41Å; T32-E34 PolarHBondContact O-N 3.31Å; E34-I37 PolarHBondContact O-N 3.05Å; E34-I38 VanDerWaalsContact O-CG1 3.26Å; E34-I38 WeakPolarHBondContact O-CG1 3.22Å; E34-I38 PolarHBondContact O-N 2.73Å; E34-L72 HydrophobicContact CG-CD2 4.21Å; E34-F76 HydrophobicContact CB-CE1 3.6Å; E34-F76 HydrophobicContact CB-CZ 3.9Å; E34-F76 HydrophobicContact CG-CD1 4.27Å; E34-F76 HydrophobicContact CG-CE1 3.57Å; E34-F76 HydrophobicContact CG-CZ 4.37Å; E34-D306 HydrophobicContact CB-CB 4.36Å; E34-D306 WeakPolarHBondContact CB-OD2 3.23Å; E34-D306 VanDerWaalsContact CG-OD2 3.25Å; E34-D306 WeakPolarHBondContact CG-OD2 3.46Å |
| 35 | Q | 98 | Very high | 96 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 178.4 | -171.4 | 61.6 | 56.4 | 0 | 0 | 110.9 | D33 I37 I38 D39 | D33-Q35 PolarHBondContact O-N 3.15Å; D33-Q35 PolarHBondContact OD1-N 2.92Å; Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 PolarHBondContact O-N 3.24Å; Q35-I38 PolarHBondContact O-N 3.02Å; Q35-D39 PolarHBondContact NE2-OD1 2.98Å; Q35-D39 WeakPolarHBondContact O-CB 3.35Å; Q35-D39 PolarHBondContact O-N 3.34Å |
| 36 | A | 98.1 | Very high | 96 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A26 D33 I40 | A26-A36 HydrophobicContact CB-CB 4Å; D33-A36 HydrophobicContact CB-CB 4.17Å; D33-A36 PolarHBondContact O-N 2.84Å; D33-A36 PolarHBondContact OD1-N 2.96Å; A36-I40 WeakPolarHBondContact O-CD1 3.15Å; A36-I40 VanDerWaalsContact O-CG1 3.29Å; A36-I40 WeakPolarHBondContact O-CG1 3.43Å; A36-I40 PolarHBondContact O-N 3.46Å |
| 37 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.3 | -64.7 | 168.4 | 0 | 0 | 0 | 110.5 | A26 T32 D33 E34 Q35 I40 L41 L68 L72 I80 | A26-I37 HydrophobicContact CB-CD1 4.47Å; A26-I37 HydrophobicContact CB-CG1 4.01Å; T32-I37 HydrophobicContact CG2-CD1 3.59Å; D33-I37 PolarHBondContact O-N 3.12Å; E34-I37 PolarHBondContact O-N 3.05Å; Q35-I37 VanDerWaalsContact C-N 3.27Å; Q35-I37 PolarHBondContact O-N 3.24Å; I37-I40 PolarHBondContact O-N 3.23Å; I37-L41 HydrophobicContact CG2-CD1 3.8Å; I37-L41 HydrophobicContact CG2-CG 4.38Å; I37-L41 WeakPolarHBondContact O-CB 3.49Å; I37-L41 PolarHBondContact O-N 3.18Å; I37-L68 HydrophobicContact CD1-CD2 3.76Å; I37-L68 HydrophobicContact CG1-CD2 4.37Å; I37-L68 HydrophobicContact CG2-CD2 4.28Å; I37-L72 HydrophobicContact CD1-CD2 4.17Å; I37-I80 HydrophobicContact CG2-CD1 3.96Å; I37-I80 HydrophobicContact CG2-CG1 4.47Å |
| 38 | I | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 177.3 | -68.6 | 164.3 | 0 | 0 | 0 | 110.9 | E34 Q35 I40 L41 A42 F76 D306 R309 L310 A313 | E34-I38 VanDerWaalsContact O-CG1 3.26Å; E34-I38 WeakPolarHBondContact O-CG1 3.22Å; E34-I38 PolarHBondContact O-N 2.73Å; Q35-I38 PolarHBondContact O-N 3.02Å; I38-I40 PolarHBondContact O-N 3.3Å; I38-I40 VanDerWaalsContact O-N 3.16Å; I38-L41 PolarHBondContact O-N 2.99Å; I38-A42 HydrophobicContact CG2-CB 4.39Å; I38-A42 WeakPolarHBondContact O-CB 3.43Å; I38-A42 PolarHBondContact O-N 2.85Å; I38-F76 HydrophobicContact CD1-CE2 3.77Å; I38-F76 HydrophobicContact CD1-CZ 3.97Å; I38-F76 HydrophobicContact CG1-CE2 3.61Å; I38-F76 HydrophobicContact CG1-CZ 3.78Å; I38-D306 HydrophobicContact CD1-CB 4.47Å; I38-R309 HydrophobicContact CD1-CB 3.75Å; I38-L310 HydrophobicContact CD1-CB 4.31Å; I38-L310 HydrophobicContact CG1-CB 4.14Å; I38-L310 HydrophobicContact CG1-CD1 4.14Å; I38-L310 HydrophobicContact CG2-CD1 4.24Å; I38-A313 HydrophobicContact CG2-CB 3.7Å |
| 39 | D | 97.4 | Very high | 96.4 | Very high | 83 Ų | 83 | 40.4 Ų | 40.4 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.9 | -32.2 | -176.2 | -70.6 | -15.2 | 0 | 0 | 0 | 111.9 | Q35 N43 | Q35-D39 PolarHBondContact NE2-OD1 2.98Å; Q35-D39 WeakPolarHBondContact O-CB 3.35Å; Q35-D39 PolarHBondContact O-N 3.34Å; D39-N43 PolarHBondContact O-ND2 2.66Å |
| 40 | I | 98.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 40 Ų | 40 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -81.1 | -64.4 | 174.8 | -61.2 | 165.7 | 0 | 0 | 0 | 109.9 | D19 A22 I23 A36 I37 I38 A42 N43 R44 I52 | D19-I40 HydrophobicContact CB-CG2 4.06Å; A22-I40 HydrophobicContact CB-CD1 3.57Å; I23-I40 HydrophobicContact CD1-CG2 4.13Å; I23-I40 HydrophobicContact CG1-CD1 3.77Å; I23-I40 HydrophobicContact CG1-CG2 4.42Å; A36-I40 WeakPolarHBondContact O-CD1 3.15Å; A36-I40 VanDerWaalsContact O-CG1 3.29Å; A36-I40 WeakPolarHBondContact O-CG1 3.43Å; A36-I40 PolarHBondContact O-N 3.46Å; I37-I40 PolarHBondContact O-N 3.23Å; I38-I40 PolarHBondContact O-N 3.3Å; I38-I40 VanDerWaalsContact O-N 3.16Å; I40-A42 PolarHBondContact O-N 3.05Å; I40-N43 CarbonylContact O-C 3.53Å; I40-N43 PolarHBondContact O-N 3.1Å; I40-N43 VanDerWaalsContact O-N 3.1Å; I40-R44 HydrophobicContact CG2-CG 4.33Å; I40-R44 WeakPolarHBondContact O-CG 3.4Å; I40-R44 PolarHBondContact O-N 3.16Å; I40-I52 HydrophobicContact CG2-CD1 4.21Å |
| 41 | L | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.6 | -27.9 | -165.7 | -63.6 | -177.8 | 0 | 0 | 0 | 113.9 | I23 I37 I38 N43 R49 L68 I80 M83 L84 | I23-L41 HydrophobicContact CD1-CD2 4.21Å; I37-L41 HydrophobicContact CG2-CD1 3.8Å; I37-L41 HydrophobicContact CG2-CG 4.38Å; I37-L41 WeakPolarHBondContact O-CB 3.49Å; I37-L41 PolarHBondContact O-N 3.18Å; I38-L41 PolarHBondContact O-N 2.99Å; L41-N43 VanDerWaalsContact C-N 3.29Å; L41-R49 HydrophobicContact CD2-CG 4.25Å; L41-L68 HydrophobicContact CD1-CD1 4.19Å; L41-I80 HydrophobicContact CD1-CD1 4.21Å; L41-I80 HydrophobicContact CD1-CG2 3.9Å; L41-M83 VanDerWaalsContact O-CE 3.25Å; L41-M83 WeakPolarHBondContact O-CE 3.14Å; L41-L84 HydrophobicContact CD1-CD2 4.21Å; L41-L84 HydrophobicContact CD2-CD2 4.16Å |
| 42 | A | 97.3 | Very high | 98 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -18.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I38 I40 M83 L310 A313 I314 | I38-A42 HydrophobicContact CG2-CB 4.39Å; I38-A42 WeakPolarHBondContact O-CB 3.43Å; I38-A42 PolarHBondContact O-N 2.85Å; I40-A42 PolarHBondContact O-N 3.05Å; A42-M83 HydrophobicContact CB-CE 4.46Å; A42-L310 HydrophobicContact CB-CD1 4.11Å; A42-A313 HydrophobicContact CB-CB 3.71Å; A42-I314 HydrophobicContact CB-CG1 4.24Å |
| 43 | N | 96.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 27% | 0.267 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 24.5 | -178.9 | -63.7 | -75.3 | 0 | 0 | 0 | 112.1 | Y11 D39 I40 L41 H316 | Y11-N43 WeakPolarHBondContact CB-O 3.48Å; Y11-N43 HydrophobicContact CD2-CB 4.46Å; D39-N43 PolarHBondContact O-ND2 2.66Å; I40-N43 CarbonylContact O-C 3.53Å; I40-N43 PolarHBondContact O-N 3.1Å; I40-N43 VanDerWaalsContact O-N 3.1Å; L41-N43 VanDerWaalsContact C-N 3.29Å; N43-H316 PolarHBondContact OD1-CE1 2.82Å |
| 44 | R | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 31.4 Ų | 31.4 | 5% | 0.053 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -127 | 133.1 | 174.6 | -65.3 | -66.5 | 179.3 | -79.5 | -3.8 | 109.2 | Y11 D19 I40 Q48 R49 I52 | Y11-R44 VanDerWaalsContact CD1-CZ 3.5Å; D19-R44 IonicContact OD1-CZ 3.75Å; D19-R44 IonicContact OD1-NE 3.64Å; D19-R44 IonicContact OD1-NH2 2.98Å; D19-R44 PolarHBondContact OD1-NH2 3.23Å; D19-R44 IonicContact OD2-CZ 2.66Å; D19-R44 IonicContact OD2-NE 3.56Å; D19-R44 PolarHBondContact OD2-NE 2.91Å; D19-R44 IonicContact OD2-NH2 3.58Å; D19-R44 PolarHBondContact OD2-NH2 2.95Å; I40-R44 HydrophobicContact CG2-CG 4.33Å; I40-R44 WeakPolarHBondContact O-CG 3.4Å; I40-R44 PolarHBondContact O-N 3.16Å; R44-Q48 HydrophobicContact CB-CB 4Å; R44-R49 HydrophobicContact CB-CG 3.92Å; R44-R49 PolarHBondContact O-NE 3.25Å; R44-I52 HydrophobicContact CB-CD1 4.39Å; R44-I52 HydrophobicContact CG-CD1 3.94Å |
| 45 | S | 98.3 | Very high | 98.2 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | trans | -61.4 | 163.8 | 174.1 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | A47 Q48 R49 E277 | S45-A47 PolarHBondContact O-N 3.34Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 VanDerWaalsContact O-N 3.11Å; S45-Q48 WeakPolarHBondContact OG-CG 3.19Å; S45-Q48 PolarHBondContact OG-N 3.48Å; S45-R49 WeakPolarHBondContact O-CG 3.5Å; S45-R49 PolarHBondContact O-N 2.85Å; S45-R49 PolarHBondContact O-NE 3.42Å; S45-E277 WeakPolarHBondContact CA-OE1 3.04Å | ||
| 46 | S | 98 | Very high | 98.3 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | R49 Q50 P86 P87 E277 | S46-R49 PolarHBondContact O-N 3.48Å; S46-Q50 WeakPolarHBondContact O-CG 3.48Å; S46-Q50 PolarHBondContact O-N 2.85Å; S46-P86 WeakPolarHBondContact OG-CA 3.48Å; S46-P87 WeakPolarHBondContact OG-CD 3.26Å; S46-E277 WeakPolarHBondContact CA-OE1 3.46Å; S46-E277 WeakPolarHBondContact CB-OE1 3.35Å; S46-E277 VanDerWaalsContact N-CD 3.3Å; S46-E277 PolarHBondContact N-OE1 2.99Å; S46-E277 PolarHBondContact N-OE2 3.16Å; S46-E277 VanDerWaalsContact N-OE2 3.17Å |
| 47 | A | 98.3 | Very high | 98.3 | Very high | 62 Ų | 62 | 29.6 Ų | 29.6 | 51% | 0.512 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S45 R49 Q50 E51 | S45-A47 PolarHBondContact O-N 3.34Å; A47-R49 VanDerWaalsContact C-N 3.3Å; A47-R49 PolarHBondContact O-N 2.96Å; A47-Q50 WeakPolarHBondContact O-CB 3.46Å; A47-Q50 PolarHBondContact O-N 2.89Å; A47-E51 PolarHBondContact O-N 3.35Å |
| 48 | Q | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -36.6 | 176.7 | -72.1 | 174.2 | -27.7 | 0 | 0 | 111.9 | Y11 F14 R44 S45 Q50 E51 I52 | Y11-Q48 PolarHBondContact O-NE2 3.16Å; F14-Q48 VanDerWaalsContact CB-NE2 3.33Å; F14-Q48 HydrophobicContact CD1-CG 3.94Å; F14-Q48 HydrophobicContact CD2-CB 4.27Å; F14-Q48 HydrophobicContact CD2-CG 4.15Å; F14-Q48 HydrophobicContact CE1-CB 4.26Å; F14-Q48 HydrophobicContact CE1-CG 3.98Å; F14-Q48 HydrophobicContact CE2-CB 3.9Å; F14-Q48 HydrophobicContact CE2-CG 4.19Å; F14-Q48 HydrophobicContact CG-CG 4.02Å; F14-Q48 HydrophobicContact CZ-CB 3.89Å; F14-Q48 HydrophobicContact CZ-CG 4.1Å; R44-Q48 HydrophobicContact CB-CB 4Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 VanDerWaalsContact O-N 3.11Å; S45-Q48 WeakPolarHBondContact OG-CG 3.19Å; S45-Q48 PolarHBondContact OG-N 3.48Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 3.37Å; Q48-E51 WeakPolarHBondContact O-CB 3.36Å; Q48-E51 PolarHBondContact O-N 3.16Å; Q48-I52 VanDerWaalsContact O-CG1 3.3Å; Q48-I52 WeakPolarHBondContact O-CG1 3.42Å; Q48-I52 PolarHBondContact O-N 3.05Å |
| 49 | R | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -34.5 | 173.1 | -71.9 | 177.7 | -80.8 | 167.8 | -7.8 | 111.9 | L41 R44 S45 S46 A47 I52 K53 M83 E277 | L41-R49 HydrophobicContact CD2-CG 4.25Å; R44-R49 HydrophobicContact CB-CG 3.92Å; R44-R49 PolarHBondContact O-NE 3.25Å; S45-R49 WeakPolarHBondContact O-CG 3.5Å; S45-R49 PolarHBondContact O-N 2.85Å; S45-R49 PolarHBondContact O-NE 3.42Å; S46-R49 PolarHBondContact O-N 3.48Å; A47-R49 VanDerWaalsContact C-N 3.3Å; A47-R49 PolarHBondContact O-N 2.96Å; R49-I52 PolarHBondContact O-N 3.5Å; R49-K53 WeakPolarHBondContact O-CG 3.37Å; R49-K53 PolarHBondContact O-N 3.22Å; R49-M83 WeakPolarHBondContact CD-O 3.32Å; R49-M83 VanDerWaalsContact CZ-O 3.3Å; R49-M83 VanDerWaalsContact NH1-C 3.26Å; R49-M83 PolarHBondContact NH1-O 3.35Å; R49-E277 IonicContact CZ-OE1 2.65Å; R49-E277 IonicContact NH2-OE1 3.77Å; R49-E277 PolarHBondContact NH2-OE1 3.26Å |
| 50 | Q | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.2 | -40.3 | 171.7 | -61.8 | -38.1 | -68.6 | 0 | 0 | 112.2 | S46 A47 Q48 I52 K53 A54 L84 P86 | S46-Q50 WeakPolarHBondContact O-CG 3.48Å; S46-Q50 PolarHBondContact O-N 2.85Å; A47-Q50 WeakPolarHBondContact O-CB 3.46Å; A47-Q50 PolarHBondContact O-N 2.89Å; Q48-Q50 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 3.37Å; Q50-I52 VanDerWaalsContact C-N 3.34Å; Q50-I52 PolarHBondContact O-N 3.13Å; Q50-K53 PolarHBondContact O-N 3.05Å; Q50-A54 PolarHBondContact O-N 3.4Å; Q50-L84 PolarHBondContact NE2-O 3.33Å; Q50-P86 HydrophobicContact CG-CG 4.15Å |
| 51 | E | 98.8 | Very high | 98.2 | Very high | 104 Ų | 104 | 46.3 Ų | 46.3 | 49% | 0.486 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 174 | -69 | -177.9 | -123.6 | 0 | 0 | 111.8 | F14 V16 A47 Q48 K53 A54 A55 | F14-E51 HydrophobicContact CE1-CB 4.13Å; F14-E51 WeakPolarHBondContact CE1-OE2 3.38Å; F14-E51 HydrophobicContact CZ-CB 4.02Å; V16-E51 HydrophobicContact CG2-CB 4.33Å; A47-E51 PolarHBondContact O-N 3.35Å; Q48-E51 WeakPolarHBondContact O-CB 3.36Å; Q48-E51 PolarHBondContact O-N 3.16Å; E51-K53 PolarHBondContact O-N 3.19Å; E51-A54 PolarHBondContact O-N 2.88Å; E51-A55 VanDerWaalsContact O-CB 3.28Å; E51-A55 WeakPolarHBondContact O-CB 3.46Å; E51-A55 PolarHBondContact O-N 3.01Å |
| 52 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 173.6 | -71.3 | 168 | 0 | 0 | 0 | 110.5 | F14 V16 D19 I20 I23 I40 R44 Q48 R49 Q50 A54 Y56 L64 | F14-I52 HydrophobicContact CE2-CD1 4.06Å; F14-I52 HydrophobicContact CE2-CG1 3.95Å; F14-I52 HydrophobicContact CZ-CG1 4.11Å; V16-I52 HydrophobicContact CG2-CG1 4.12Å; D19-I52 HydrophobicContact CB-CD1 4.03Å; D19-I52 HydrophobicContact CB-CG1 4.12Å; I20-I52 HydrophobicContact CG2-CG2 4.02Å; I20-I52 WeakPolarHBondContact CG2-O 3.44Å; I23-I52 HydrophobicContact CD1-CG2 3.72Å; I40-I52 HydrophobicContact CG2-CD1 4.21Å; R44-I52 HydrophobicContact CB-CD1 4.39Å; R44-I52 HydrophobicContact CG-CD1 3.94Å; Q48-I52 VanDerWaalsContact O-CG1 3.3Å; Q48-I52 WeakPolarHBondContact O-CG1 3.42Å; Q48-I52 PolarHBondContact O-N 3.05Å; R49-I52 PolarHBondContact O-N 3.5Å; Q50-I52 VanDerWaalsContact C-N 3.34Å; Q50-I52 PolarHBondContact O-N 3.13Å; I52-A54 PolarHBondContact O-N 2.65Å; I52-Y56 WeakPolarHBondContact O-CB 3.46Å; I52-Y56 PolarHBondContact O-N 3.36Å; I52-L64 HydrophobicContact CG2-CD2 3.7Å |
| 53 | K | 98.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 177.6 | -73.7 | 166.1 | 67.1 | -172.3 | 0 | 111.5 | R49 Q50 E51 Y56 F57 L64 L84 | R49-K53 WeakPolarHBondContact O-CG 3.37Å; R49-K53 PolarHBondContact O-N 3.22Å; Q50-K53 PolarHBondContact O-N 3.05Å; E51-K53 PolarHBondContact O-N 3.19Å; K53-Y56 PolarHBondContact O-N 3.44Å; K53-F57 PolarHBondContact O-N 3.05Å; K53-F57 VanDerWaalsContact O-N 3.14Å; K53-L64 HydrophobicContact CG-CB 4.46Å; K53-L64 HydrophobicContact CG-CD2 3.97Å; K53-L84 HydrophobicContact CD-CB 4.15Å; K53-L84 HydrophobicContact CD-CD2 4.29Å; K53-L84 VanDerWaalsContact CD-O 3.27Å; K53-L84 WeakPolarHBondContact CD-O 3.36Å; K53-L84 HydrophobicContact CG-CD2 4.24Å; K53-L84 PolarHBondContact NZ-O 3.45Å |
| 54 | A | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 51% | 0.512 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q50 E51 I52 Y56 F57 E58 | Q50-A54 PolarHBondContact O-N 3.4Å; E51-A54 PolarHBondContact O-N 2.88Å; I52-A54 PolarHBondContact O-N 2.65Å; A54-Y56 VanDerWaalsContact C-N 3.32Å; A54-Y56 PolarHBondContact O-N 2.93Å; A54-F57 PolarHBondContact O-N 2.94Å; A54-E58 PolarHBondContact O-N 2.87Å |
| 55 | A | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -31.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V16 I20 E51 K59 | V16-A55 HydrophobicContact CG1-CB 4.36Å; V16-A55 HydrophobicContact CG2-CB 3.51Å; I20-A55 HydrophobicContact CD1-CB 4.05Å; I20-A55 WeakPolarHBondContact CD1-O 3.49Å; I20-A55 HydrophobicContact CG2-CB 4.24Å; E51-A55 VanDerWaalsContact O-CB 3.28Å; E51-A55 WeakPolarHBondContact O-CB 3.46Å; E51-A55 PolarHBondContact O-N 3.01Å; A55-K59 VanDerWaalsContact O-CB 3.25Å; A55-K59 WeakPolarHBondContact O-CB 3.21Å; A55-K59 PolarHBondContact O-N 3.37Å; A55-K59 VanDerWaalsContact O-N 3.15Å |
| 56 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.4 | -168.6 | -81.9 | 0 | 0 | 0 | 110.4 | I20 I23 R24 I52 K53 A54 K59 Y60 D62 L64 V67 | I20-Y56 HydrophobicContact CB-CD2 3.88Å; I20-Y56 HydrophobicContact CG2-CD2 4.17Å; I23-Y56 HydrophobicContact CG2-CE2 4.2Å; R24-Y56 HydrophobicContact CB-CE2 4.03Å; R24-Y56 WeakPolarHBondContact CD-OH 3.47Å; R24-Y56 PolarHBondContact NH1-OH 3.46Å; I52-Y56 WeakPolarHBondContact O-CB 3.46Å; I52-Y56 PolarHBondContact O-N 3.36Å; K53-Y56 PolarHBondContact O-N 3.44Å; A54-Y56 VanDerWaalsContact C-N 3.32Å; A54-Y56 PolarHBondContact O-N 2.93Å; Y56-K59 PolarHBondContact O-N 2.87Å; Y56-Y60 HydrophobicContact CD1-CD2 4.16Å; Y56-Y60 AromaticContact CD2-CD2 3.84Å; Y56-Y60 HydrophobicContact CD2-CD2 3.84Å; Y56-Y60 HydrophobicContact CD2-CE2 4.07Å; Y56-Y60 HydrophobicContact CE1-CD2 4.21Å; Y56-Y60 AromaticContact CE2-CD2 3.87Å; Y56-Y60 HydrophobicContact CE2-CD2 3.87Å; Y56-Y60 HydrophobicContact CE2-CE2 4.11Å; Y56-Y60 AromaticContact CG-CD2 3.98Å; Y56-Y60 HydrophobicContact CG-CD2 3.98Å; Y56-Y60 WeakPolarHBondContact O-CB 3.49Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.32Å; Y56-Y60 PolarHBondContact O-N 3Å; Y56-D62 VanDerWaalsContact CD1-O 3.31Å; Y56-D62 WeakPolarHBondContact CD1-O 3.43Å; Y56-D62 HydrophobicContact CE1-CB 3.97Å; Y56-L64 HydrophobicContact CD1-CB 3.94Å; Y56-L64 HydrophobicContact CD1-CD1 4.4Å; Y56-L64 HydrophobicContact CD2-CD1 4.04Å; Y56-L64 HydrophobicContact CE1-CB 4.47Å; Y56-L64 HydrophobicContact CE1-CD1 4.42Å; Y56-L64 HydrophobicContact CE2-CD1 4.09Å; Y56-L64 HydrophobicContact CG-CB 4.08Å; Y56-L64 HydrophobicContact CG-CD1 4.21Å; Y56-V67 HydrophobicContact CE1-CG2 4.06Å |
| 57 | F | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 39% | 0.386 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 175.1 | 179.7 | -100.3 | 0 | 0 | 0 | 111.7 | K53 A54 K59 Y60 D61 E63 | K53-F57 PolarHBondContact O-N 3.05Å; K53-F57 VanDerWaalsContact O-N 3.14Å; A54-F57 PolarHBondContact O-N 2.94Å; F57-K59 PolarHBondContact O-N 3.06Å; F57-K59 VanDerWaalsContact O-N 3.12Å; F57-Y60 PolarHBondContact O-N 3.41Å; F57-D61 VanDerWaalsContact O-CA 3.32Å; F57-D61 WeakPolarHBondContact O-CA 3.02Å; F57-D61 PolarHBondContact O-N 2.85Å; F57-E63 HydrophobicContact CD2-CG 4.43Å |
| 58 | E | 98.5 | Very high | 98.2 | Very high | 173 Ų | 173 | 53.7 Ų | 53.7 | 81% | 0.808 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.2 | -36.7 | -179.3 | -176.3 | -178.7 | 173.8 | 0 | 0 | 112.7 | A54 | A54-E58 PolarHBondContact O-N 2.87Å |
| 59 | K | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -88.5 | -35.6 | -174.5 | -174.3 | 174.6 | 177.8 | -169.8 | 0 | 114.4 | I20 K21 A55 Y56 F57 | I20-K59 HydrophobicContact CD1-CB 4.12Å; I20-K59 HydrophobicContact CD1-CD 3.45Å; I20-K59 VanDerWaalsContact CD1-CD 3.45Å; I20-K59 HydrophobicContact CD1-CG 4.48Å; I20-K59 HydrophobicContact CG1-CD 4.17Å; K21-K59 VanDerWaalsContact CE-NZ 3.27Å; A55-K59 VanDerWaalsContact O-CB 3.25Å; A55-K59 WeakPolarHBondContact O-CB 3.21Å; A55-K59 PolarHBondContact O-N 3.37Å; A55-K59 VanDerWaalsContact O-N 3.15Å; Y56-K59 PolarHBondContact O-N 2.87Å; F57-K59 PolarHBondContact O-N 3.06Å; F57-K59 VanDerWaalsContact O-N 3.12Å |
| 60 | Y | 97.9 | Very high | 98 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -113.7 | -9.5 | -170.3 | -60.1 | -60.9 | 0 | 0 | 0 | 113.9 | I20 R24 Y56 F57 D62 | I20-Y60 HydrophobicContact CB-CE2 4.19Å; I20-Y60 HydrophobicContact CD1-CE2 4.4Å; I20-Y60 HydrophobicContact CG1-CE2 4.14Å; R24-Y60 HydrophobicContact CB-CE2 4.03Å; R24-Y60 HydrophobicContact CG-CE1 4.16Å; R24-Y60 HydrophobicContact CG-CE2 4.29Å; Y56-Y60 HydrophobicContact CD1-CD2 4.16Å; Y56-Y60 AromaticContact CD2-CD2 3.84Å; Y56-Y60 HydrophobicContact CD2-CD2 3.84Å; Y56-Y60 HydrophobicContact CD2-CE2 4.07Å; Y56-Y60 HydrophobicContact CE1-CD2 4.21Å; Y56-Y60 AromaticContact CE2-CD2 3.87Å; Y56-Y60 HydrophobicContact CE2-CD2 3.87Å; Y56-Y60 HydrophobicContact CE2-CE2 4.11Å; Y56-Y60 AromaticContact CG-CD2 3.98Å; Y56-Y60 HydrophobicContact CG-CD2 3.98Å; Y56-Y60 WeakPolarHBondContact O-CB 3.49Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.32Å; Y56-Y60 PolarHBondContact O-N 3Å; F57-Y60 PolarHBondContact O-N 3.41Å; Y60-D62 PolarHBondContact O-N 3.2Å |
| 61 | D | 97.3 | Very high | 98 | Very high | 132 Ų | 132 | 62 Ų | 62 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 56.6 | 29.1 | -174.9 | -157.1 | 39 | 0 | 0 | 0 | 112.7 | F57 | F57-D61 VanDerWaalsContact O-CA 3.32Å; F57-D61 WeakPolarHBondContact O-CA 3.02Å; F57-D61 PolarHBondContact O-N 2.85Å |
| 62 | D | 96.7 | Very high | 97.9 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -126.3 | 137.7 | -179.3 | -76 | -27.3 | 0 | 0 | 0 | 109.2 | R24 Y56 Y60 L64 V67 | R24-D62 IonicContact CZ-OD2 3.29Å; R24-D62 IonicContact NH1-OD2 3.17Å; R24-D62 PolarHBondContact NH1-OD2 2.89Å; R24-D62 IonicContact NH2-OD2 2.79Å; R24-D62 PolarHBondContact NH2-OD2 3.44Å; Y56-D62 VanDerWaalsContact CD1-O 3.31Å; Y56-D62 WeakPolarHBondContact CD1-O 3.43Å; Y56-D62 HydrophobicContact CE1-CB 3.97Å; Y60-D62 PolarHBondContact O-N 3.2Å; D62-L64 PolarHBondContact O-N 2.91Å; D62-V67 HydrophobicContact CB-CG2 4.03Å |
| 63 | E | 97.4 | Very high | 97.8 | Very high | 92 Ų | 92 | 61.3 Ų | 61.3 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | trans | -75.9 | 119.7 | 174.6 | -73.2 | -66.8 | 168.5 | 0 | 0 | 110.8 | F57 V65 D66 V67 | F57-E63 HydrophobicContact CD2-CG 4.43Å; E63-V65 PolarHBondContact O-N 3.17Å; E63-D66 HydrophobicContact CB-CB 4.16Å; E63-D66 PolarHBondContact O-N 2.73Å; E63-V67 PolarHBondContact O-N 3.46Å | ||
| 64 | L | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57 | -37.8 | -177.2 | 175.8 | 59.2 | 0 | 0 | 0 | 112.5 | I23 I52 K53 Y56 D62 D66 V67 L68 L84 | I23-L64 HydrophobicContact CG2-CD1 3.72Å; I52-L64 HydrophobicContact CG2-CD2 3.7Å; K53-L64 HydrophobicContact CG-CB 4.46Å; K53-L64 HydrophobicContact CG-CD2 3.97Å; Y56-L64 HydrophobicContact CD1-CB 3.94Å; Y56-L64 HydrophobicContact CD1-CD1 4.4Å; Y56-L64 HydrophobicContact CD2-CD1 4.04Å; Y56-L64 HydrophobicContact CE1-CB 4.47Å; Y56-L64 HydrophobicContact CE1-CD1 4.42Å; Y56-L64 HydrophobicContact CE2-CD1 4.09Å; Y56-L64 HydrophobicContact CG-CB 4.08Å; Y56-L64 HydrophobicContact CG-CD1 4.21Å; D62-L64 PolarHBondContact O-N 2.91Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 2.78Å; L64-V67 PolarHBondContact O-N 3.37Å; L64-L68 HydrophobicContact CD1-CD1 3.72Å; L64-L68 HydrophobicContact CD1-CG 3.97Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 WeakPolarHBondContact O-CG 3.17Å; L64-L68 PolarHBondContact O-N 3.39Å; L64-L84 HydrophobicContact CD2-CD2 4.2Å |
| 65 | V | 97.6 | Very high | 97.7 | Very high | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 177.5 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | E63 L68 K69 L81 L84 | E63-V65 PolarHBondContact O-N 3.17Å; V65-L68 PolarHBondContact O-N 3.01Å; V65-K69 HydrophobicContact CG1-CD 4.2Å; V65-K69 VanDerWaalsContact O-CG 3.31Å; V65-K69 WeakPolarHBondContact O-CG 3.2Å; V65-K69 PolarHBondContact O-N 2.93Å; V65-L81 HydrophobicContact CG1-CD2 4.11Å; V65-L84 HydrophobicContact CG2-CB 4.37Å; V65-L84 HydrophobicContact CG2-CD1 4.08Å |
| 66 | D | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 61 Ų | 61 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.8 | -36.3 | -177.5 | -66.8 | -25.2 | 0 | 0 | 0 | 111.6 | E63 L64 K69 S70 | E63-D66 HydrophobicContact CB-CB 4.16Å; E63-D66 PolarHBondContact O-N 2.73Å; L64-D66 VanDerWaalsContact C-N 3.33Å; L64-D66 PolarHBondContact O-N 2.78Å; D66-K69 PolarHBondContact O-N 3.37Å; D66-S70 PolarHBondContact O-N 3.14Å |
| 67 | V | 97.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | C27 Y56 D62 E63 L64 K69 S70 E71 | C27-V67 HydrophobicContact CB-CG1 4.04Å; Y56-V67 HydrophobicContact CE1-CG2 4.06Å; D62-V67 HydrophobicContact CB-CG2 4.03Å; E63-V67 PolarHBondContact O-N 3.46Å; L64-V67 PolarHBondContact O-N 3.37Å; V67-K69 VanDerWaalsContact C-N 3.34Å; V67-K69 PolarHBondContact O-N 2.72Å; V67-S70 PolarHBondContact O-N 3.08Å; V67-S70 PolarHBondContact O-OG 3.22Å; V67-E71 HydrophobicContact CG1-CG 4.46Å; V67-E71 VanDerWaalsContact O-CG 3.24Å; V67-E71 WeakPolarHBondContact O-CG 3.49Å; V67-E71 PolarHBondContact O-N 2.98Å |
| 68 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.5 | -32.8 | -178.9 | -69.3 | 168.9 | 0 | 0 | 0 | 112.3 | I37 L41 L64 V65 S70 E71 L72 I80 L81 L84 | I37-L68 HydrophobicContact CD1-CD2 3.76Å; I37-L68 HydrophobicContact CG1-CD2 4.37Å; I37-L68 HydrophobicContact CG2-CD2 4.28Å; L41-L68 HydrophobicContact CD1-CD1 4.19Å; L64-L68 HydrophobicContact CD1-CD1 3.72Å; L64-L68 HydrophobicContact CD1-CG 3.97Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 WeakPolarHBondContact O-CG 3.17Å; L64-L68 PolarHBondContact O-N 3.39Å; V65-L68 PolarHBondContact O-N 3.01Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 3.36Å; L68-E71 PolarHBondContact O-N 3.09Å; L68-L72 HydrophobicContact CB-CD1 4.31Å; L68-L72 HydrophobicContact CD2-CD1 4.24Å; L68-L72 VanDerWaalsContact O-CB 3.26Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 VanDerWaalsContact O-CG 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.28Å; L68-L72 PolarHBondContact O-N 3.09Å; L68-I80 HydrophobicContact CD1-CG2 3.9Å; L68-L81 HydrophobicContact CB-CD2 4.5Å; L68-L84 HydrophobicContact CD1-CD1 3.58Å |
| 69 | K | 97.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 170.7 | -78.6 | 171.8 | -179.4 | 172.1 | 0 | 113.5 | V65 D66 V67 E71 L81 | V65-K69 HydrophobicContact CG1-CD 4.2Å; V65-K69 VanDerWaalsContact O-CG 3.31Å; V65-K69 WeakPolarHBondContact O-CG 3.2Å; V65-K69 PolarHBondContact O-N 2.93Å; D66-K69 PolarHBondContact O-N 3.37Å; V67-K69 VanDerWaalsContact C-N 3.34Å; V67-K69 PolarHBondContact O-N 2.72Å; K69-E71 VanDerWaalsContact C-N 3.33Å; K69-L81 HydrophobicContact CD-CD1 4.22Å; K69-L81 HydrophobicContact CG-CD1 3.56Å; K69-L81 HydrophobicContact CG-CD2 4.09Å; K69-L81 HydrophobicContact CG-CG 4.42Å |
| 70 | S | 96.6 | Very high | 97.7 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -77.5 | -22.3 | 178.6 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | D66 V67 L68 | D66-S70 PolarHBondContact O-N 3.14Å; V67-S70 PolarHBondContact O-N 3.08Å; V67-S70 PolarHBondContact O-OG 3.22Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 3.36Å |
| 71 | E | 97.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -101.5 | -22.1 | -173.6 | -64.4 | -59.7 | 144.6 | 0 | 0 | 113.8 | C27 T32 V67 L68 K69 | C27-E71 HydrophobicContact CB-CG 3.87Å; T32-E71 HydrophobicContact CG2-CB 4.16Å; T32-E71 PolarHBondContact OG1-O 3.4Å; T32-E71 VanDerWaalsContact OG1-O 3.09Å; T32-E71 PolarHBondContact OG1-OE2 2.68Å; V67-E71 HydrophobicContact CG1-CG 4.46Å; V67-E71 VanDerWaalsContact O-CG 3.24Å; V67-E71 WeakPolarHBondContact O-CG 3.49Å; V67-E71 PolarHBondContact O-N 2.98Å; L68-E71 PolarHBondContact O-N 3.09Å; K69-E71 VanDerWaalsContact C-N 3.33Å |
| 72 | L | 97.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | trans | -113.5 | 164 | -175.2 | -53.7 | -175.5 | 0 | 0 | 0 | 110.9 | T32 E34 I37 L68 F76 E77 I80 | T32-L72 HydrophobicContact CG2-CD2 3.99Å; E34-L72 HydrophobicContact CG-CD2 4.21Å; I37-L72 HydrophobicContact CD1-CD2 4.17Å; L68-L72 HydrophobicContact CB-CD1 4.31Å; L68-L72 HydrophobicContact CD2-CD1 4.24Å; L68-L72 VanDerWaalsContact O-CB 3.26Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 VanDerWaalsContact O-CG 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.28Å; L68-L72 PolarHBondContact O-N 3.09Å; L72-F76 HydrophobicContact CD1-CD1 4.26Å; L72-F76 HydrophobicContact CD1-CE1 3.94Å; L72-F76 HydrophobicContact CD1-CZ 4.48Å; L72-F76 HydrophobicContact CD2-CD1 3.97Å; L72-F76 HydrophobicContact CD2-CE1 3.55Å; L72-F76 HydrophobicContact CG-CD1 4.5Å; L72-F76 HydrophobicContact CG-CE1 4.29Å; L72-E77 HydrophobicContact CB-CB 3.73Å; L72-E77 HydrophobicContact CB-CG 4.03Å; L72-I80 HydrophobicContact CD1-CB 4Å; L72-I80 HydrophobicContact CD1-CG1 3.93Å; L72-I80 HydrophobicContact CD1-CG2 3.91Å | ||
| 73 | A | 96.5 | Very high | 97.8 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 63% | 0.628 | 23% | 0.227 | S | C | * | . | trans | -144.8 | 157.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E77 | A73-E77 VanDerWaalsContact CA-OE2 3.31Å; A73-E77 WeakPolarHBondContact CA-OE2 3.34Å; A73-E77 PolarHBondContact O-N 2.84Å | ||
| 74 | G | 97.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | 66.1 | -148 | 168 | 0 | 0 | 0 | 0 | 0 | 113.8 | F76 E77 N78 | G74-F76 PolarHBondContact O-N 2.92Å; G74-E77 WeakPolarHBondContact O-CB 3.35Å; G74-E77 PolarHBondContact O-N 2.75Å; G74-E77 VanDerWaalsContact O-N 3.15Å; G74-N78 PolarHBondContact O-N 3.36Å |
| 75 | N | 98 | Very high | 97.8 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.7 | -25.7 | -173.6 | -63.6 | -23.9 | 0 | 0 | 0 | 113.3 | A79 E265 F307 | N75-A79 WeakPolarHBondContact O-CB 3.29Å; N75-A79 PolarHBondContact O-N 3.43Å; N75-E265 HydrophobicContact CB-CB 4.32Å; N75-E265 HydrophobicContact CB-CG 4.42Å; N75-E265 WeakPolarHBondContact ND2-CG 3.35Å; N75-E265 PolarHBondContact ND2-OE1 2.96Å; N75-F307 HydrophobicContact CB-CB 4.35Å; N75-F307 HydrophobicContact CB-CD1 4Å; N75-F307 HydrophobicContact CB-CD2 3.85Å; N75-F307 HydrophobicContact CB-CE1 4.22Å; N75-F307 HydrophobicContact CB-CE2 4.09Å; N75-F307 HydrophobicContact CB-CG 3.8Å; N75-F307 HydrophobicContact CB-CZ 4.25Å; N75-F307 VanDerWaalsContact O-CD2 3.26Å; N75-F307 WeakPolarHBondContact O-CD2 3.36Å |
| 76 | F | 98.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.3 | -46.5 | 172.8 | 179.2 | -126.5 | 0 | 0 | 0 | 111.5 | E34 I38 L72 G74 A79 I80 D306 F307 L310 | E34-F76 HydrophobicContact CB-CE1 3.6Å; E34-F76 HydrophobicContact CB-CZ 3.9Å; E34-F76 HydrophobicContact CG-CD1 4.27Å; E34-F76 HydrophobicContact CG-CE1 3.57Å; E34-F76 HydrophobicContact CG-CZ 4.37Å; I38-F76 HydrophobicContact CD1-CE2 3.77Å; I38-F76 HydrophobicContact CD1-CZ 3.97Å; I38-F76 HydrophobicContact CG1-CE2 3.61Å; I38-F76 HydrophobicContact CG1-CZ 3.78Å; L72-F76 HydrophobicContact CD1-CD1 4.26Å; L72-F76 HydrophobicContact CD1-CE1 3.94Å; L72-F76 HydrophobicContact CD1-CZ 4.48Å; L72-F76 HydrophobicContact CD2-CD1 3.97Å; L72-F76 HydrophobicContact CD2-CE1 3.55Å; L72-F76 HydrophobicContact CG-CD1 4.5Å; L72-F76 HydrophobicContact CG-CE1 4.29Å; G74-F76 PolarHBondContact O-N 2.92Å; F76-A79 PolarHBondContact O-N 3.39Å; F76-I80 HydrophobicContact CD2-CG1 4.09Å; F76-I80 HydrophobicContact CE1-CG1 4.5Å; F76-I80 HydrophobicContact CE2-CD1 3.89Å; F76-I80 HydrophobicContact CE2-CG1 3.63Å; F76-I80 HydrophobicContact CZ-CD1 4.18Å; F76-I80 HydrophobicContact CZ-CG1 3.87Å; F76-I80 WeakPolarHBondContact O-CG1 3.3Å; F76-I80 PolarHBondContact O-N 2.89Å; F76-D306 HydrophobicContact CB-CB 4.25Å; F76-D306 HydrophobicContact CD1-CB 3.75Å; F76-D306 HydrophobicContact CD2-CB 3.82Å; F76-D306 WeakPolarHBondContact CD2-O 3.46Å; F76-D306 HydrophobicContact CE1-CB 4.01Å; F76-D306 HydrophobicContact CE2-CB 4.1Å; F76-D306 HydrophobicContact CG-CB 3.66Å; F76-D306 HydrophobicContact CZ-CB 4.18Å; F76-F307 HydrophobicContact CB-CB 4.23Å; F76-L310 HydrophobicContact CD2-CB 4.13Å; F76-L310 HydrophobicContact CD2-CD2 3.95Å; F76-L310 HydrophobicContact CE2-CB 3.97Å; F76-L310 HydrophobicContact CE2-CD2 3.92Å; F76-L310 HydrophobicContact CE2-CG 4.43Å |
| 77 | E | 98.5 | Very high | 97.5 | Very high | 40 Ų | 40 | 33.8 Ų | 33.8 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 172.3 | -177.8 | -166.8 | 162.5 | 0 | 0 | 110.7 | L72 A73 G74 A79 I80 L81 | L72-E77 HydrophobicContact CB-CB 3.73Å; L72-E77 HydrophobicContact CB-CG 4.03Å; A73-E77 VanDerWaalsContact CA-OE2 3.31Å; A73-E77 WeakPolarHBondContact CA-OE2 3.34Å; A73-E77 PolarHBondContact O-N 2.84Å; G74-E77 WeakPolarHBondContact O-CB 3.35Å; G74-E77 PolarHBondContact O-N 2.75Å; G74-E77 VanDerWaalsContact O-N 3.15Å; E77-A79 VanDerWaalsContact C-N 3.27Å; E77-A79 PolarHBondContact O-N 3.27Å; E77-I80 PolarHBondContact O-N 3.34Å; E77-I80 VanDerWaalsContact O-N 3.16Å; E77-L81 HydrophobicContact CG-CD1 3.85Å; E77-L81 HydrophobicContact CG-CG 4.22Å; E77-L81 VanDerWaalsContact O-CG 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.05Å |
| 78 | N | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 35 Ų | 35 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.7 | -43.9 | -178.8 | -68.1 | -19.9 | 0 | 0 | 0 | 112.2 | G74 L81 A82 I269 | G74-N78 PolarHBondContact O-N 3.36Å; N78-L81 PolarHBondContact O-N 3.36Å; N78-A82 WeakPolarHBondContact O-CB 3.31Å; N78-A82 PolarHBondContact O-N 2.95Å; N78-I269 HydrophobicContact CB-CD1 3.82Å |
| 79 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N75 F76 E77 L81 A82 M83 I269 F307 L310 | N75-A79 WeakPolarHBondContact O-CB 3.29Å; N75-A79 PolarHBondContact O-N 3.43Å; F76-A79 PolarHBondContact O-N 3.39Å; E77-A79 VanDerWaalsContact C-N 3.27Å; E77-A79 PolarHBondContact O-N 3.27Å; A79-L81 VanDerWaalsContact C-N 3.31Å; A79-L81 PolarHBondContact O-N 2.99Å; A79-A82 PolarHBondContact O-N 3.4Å; A79-M83 WeakPolarHBondContact O-CB 3.47Å; A79-M83 VanDerWaalsContact O-CG 3.25Å; A79-M83 WeakPolarHBondContact O-CG 3.31Å; A79-M83 PolarHBondContact O-N 3.12Å; A79-I269 HydrophobicContact CB-CD1 4.09Å; A79-I269 HydrophobicContact CB-CG1 3.9Å; A79-I269 HydrophobicContact CB-CG2 4.41Å; A79-F307 HydrophobicContact CB-CD2 4.08Å; A79-F307 HydrophobicContact CB-CE2 4Å; A79-L310 HydrophobicContact CB-CD2 3.48Å; A79-L310 VanDerWaalsContact CB-CD2 3.48Å |
| 80 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.7 | -71.4 | -63.2 | 0 | 0 | 0 | 110.9 | I37 L41 L68 L72 F76 E77 M83 L84 L310 | I37-I80 HydrophobicContact CG2-CD1 3.96Å; I37-I80 HydrophobicContact CG2-CG1 4.47Å; L41-I80 HydrophobicContact CD1-CD1 4.21Å; L41-I80 HydrophobicContact CD1-CG2 3.9Å; L68-I80 HydrophobicContact CD1-CG2 3.9Å; L72-I80 HydrophobicContact CD1-CB 4Å; L72-I80 HydrophobicContact CD1-CG1 3.93Å; L72-I80 HydrophobicContact CD1-CG2 3.91Å; F76-I80 HydrophobicContact CD2-CG1 4.09Å; F76-I80 HydrophobicContact CE1-CG1 4.5Å; F76-I80 HydrophobicContact CE2-CD1 3.89Å; F76-I80 HydrophobicContact CE2-CG1 3.63Å; F76-I80 HydrophobicContact CZ-CD1 4.18Å; F76-I80 HydrophobicContact CZ-CG1 3.87Å; F76-I80 WeakPolarHBondContact O-CG1 3.3Å; F76-I80 PolarHBondContact O-N 2.89Å; E77-I80 PolarHBondContact O-N 3.34Å; E77-I80 VanDerWaalsContact O-N 3.16Å; I80-M83 WeakPolarHBondContact O-CB 3.46Å; I80-M83 PolarHBondContact O-N 2.9Å; I80-L84 HydrophobicContact CG2-CD1 4.45Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.36Å; I80-L310 HydrophobicContact CD1-CD1 3.88Å; I80-L310 HydrophobicContact CD1-CD2 3.64Å; I80-L310 HydrophobicContact CD1-CG 4.39Å; I80-L310 HydrophobicContact CG1-CD2 3.89Å |
| 81 | L | 98.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 29 Ų | 29 | 15% | 0.152 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.1 | -41 | 179.4 | -64.9 | -177.5 | 0 | 0 | 0 | 112.4 | V65 L68 K69 E77 N78 A79 M83 L84 | V65-L81 HydrophobicContact CG1-CD2 4.11Å; L68-L81 HydrophobicContact CB-CD2 4.5Å; K69-L81 HydrophobicContact CD-CD1 4.22Å; K69-L81 HydrophobicContact CG-CD1 3.56Å; K69-L81 HydrophobicContact CG-CD2 4.09Å; K69-L81 HydrophobicContact CG-CG 4.42Å; E77-L81 HydrophobicContact CG-CD1 3.85Å; E77-L81 HydrophobicContact CG-CG 4.22Å; E77-L81 VanDerWaalsContact O-CG 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.44Å; E77-L81 PolarHBondContact O-N 3.05Å; N78-L81 PolarHBondContact O-N 3.36Å; A79-L81 VanDerWaalsContact C-N 3.31Å; A79-L81 PolarHBondContact O-N 2.99Å; L81-M83 PolarHBondContact O-N 2.84Å; L81-L84 HydrophobicContact CD2-CD1 4.26Å; L81-L84 PolarHBondContact O-N 2.96Å |
| 82 | A | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -39.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N78 A79 L84 D85 Y90 I269 V273 | N78-A82 WeakPolarHBondContact O-CB 3.31Å; N78-A82 PolarHBondContact O-N 2.95Å; A79-A82 PolarHBondContact O-N 3.4Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 2.95Å; A82-D85 PolarHBondContact O-N 2.92Å; A82-Y90 HydrophobicContact CB-CD1 4.35Å; A82-Y90 HydrophobicContact CB-CD2 3.8Å; A82-Y90 HydrophobicContact CB-CE1 3.94Å; A82-Y90 HydrophobicContact CB-CE2 3.34Å; A82-Y90 HydrophobicContact CB-CG 4.29Å; A82-Y90 VanDerWaalsContact CB-CZ 3.43Å; A82-I269 HydrophobicContact CB-CG2 3.64Å; A82-V273 HydrophobicContact CB-CG1 4.35Å; A82-V273 HydrophobicContact CB-CG2 4.24Å |
| 83 | M | 97.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -22.8 | 176.8 | -75.5 | 179.3 | 80.6 | 0 | 0 | 114.2 | L41 A42 R49 A79 I80 L81 D85 V273 L310 I314 | L41-M83 VanDerWaalsContact O-CE 3.25Å; L41-M83 WeakPolarHBondContact O-CE 3.14Å; A42-M83 HydrophobicContact CB-CE 4.46Å; R49-M83 WeakPolarHBondContact CD-O 3.32Å; R49-M83 VanDerWaalsContact CZ-O 3.3Å; R49-M83 VanDerWaalsContact NH1-C 3.26Å; R49-M83 PolarHBondContact NH1-O 3.35Å; A79-M83 WeakPolarHBondContact O-CB 3.47Å; A79-M83 VanDerWaalsContact O-CG 3.25Å; A79-M83 WeakPolarHBondContact O-CG 3.31Å; A79-M83 PolarHBondContact O-N 3.12Å; I80-M83 WeakPolarHBondContact O-CB 3.46Å; I80-M83 PolarHBondContact O-N 2.9Å; L81-M83 PolarHBondContact O-N 2.84Å; M83-D85 VanDerWaalsContact C-N 3.3Å; M83-V273 HydrophobicContact CG-CB 4.5Å; M83-V273 HydrophobicContact CG-CG1 4.01Å; M83-V273 HydrophobicContact CG-CG2 3.68Å; M83-L310 HydrophobicContact CE-CD1 4.45Å; M83-L310 HydrophobicContact SD-CD1 3.85Å; M83-L310 HydrophobicContact SD-CD2 4.14Å; M83-L310 HydrophobicContact SD-CG 4.28Å; M83-I314 HydrophobicContact CE-CD1 3.95Å; M83-I314 HydrophobicContact CE-CG1 3.96Å; M83-I314 HydrophobicContact SD-CD1 3.59Å; M83-I314 VanDerWaalsContact SD-CD1 3.59Å; M83-I314 HydrophobicContact SD-CG1 4.23Å |
| 84 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -84 | -9.2 | -179.9 | -70 | 173.6 | 0 | 0 | 0 | 113.2 | L41 Q50 K53 L64 V65 L68 I80 L81 A82 | L41-L84 HydrophobicContact CD1-CD2 4.21Å; L41-L84 HydrophobicContact CD2-CD2 4.16Å; Q50-L84 PolarHBondContact NE2-O 3.33Å; K53-L84 HydrophobicContact CD-CB 4.15Å; K53-L84 HydrophobicContact CD-CD2 4.29Å; K53-L84 VanDerWaalsContact CD-O 3.27Å; K53-L84 WeakPolarHBondContact CD-O 3.36Å; K53-L84 HydrophobicContact CG-CD2 4.24Å; K53-L84 PolarHBondContact NZ-O 3.45Å; L64-L84 HydrophobicContact CD2-CD2 4.2Å; V65-L84 HydrophobicContact CG2-CB 4.37Å; V65-L84 HydrophobicContact CG2-CD1 4.08Å; L68-L84 HydrophobicContact CD1-CD1 3.58Å; I80-L84 HydrophobicContact CG2-CD1 4.45Å; I80-L84 WeakPolarHBondContact O-CG 3.49Å; I80-L84 PolarHBondContact O-N 3.36Å; L81-L84 HydrophobicContact CD2-CD1 4.26Å; L81-L84 PolarHBondContact O-N 2.96Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 2.95Å |
| 85 | D | 97.5 | Very high | 97.7 | Very high | 22 Ų | 22 | 23.8 Ų | 23.8 | 12% | 0.118 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -90.5 | 144 | 171.4 | -76.9 | -36.8 | 0 | 0 | 0 | 110.7 | A82 M83 V89 K93 | A82-D85 PolarHBondContact O-N 2.92Å; M83-D85 VanDerWaalsContact C-N 3.3Å; D85-V89 HydrophobicContact CB-CB 4.26Å; D85-V89 HydrophobicContact CB-CG1 4.15Å; D85-K93 IonicContact OD1-NZ 2.72Å; D85-K93 PolarHBondContact OD1-NZ 3.48Å; D85-K93 VanDerWaalsContact OD2-CD 3.26Å; D85-K93 WeakPolarHBondContact OD2-CD 3.3Å; D85-K93 IonicContact OD2-NZ 3.85Å; D85-K93 PolarHBondContact OD2-NZ 3.25Å |
| 86 | P | 96.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 23.7 Ų | 23.7 | 23% | 0.227 | 12% | 0.124 | C | C | . | . | trans | -53.1 | 142.7 | 159.6 | -24.3 | 34.2 | 0 | 0 | 0 | 110.4 | S46 Q50 V88 V89 Y90 | S46-P86 WeakPolarHBondContact OG-CA 3.48Å; Q50-P86 HydrophobicContact CG-CG 4.15Å; P86-V88 HydrophobicContact CB-CG1 4.34Å; P86-V88 PolarHBondContact O-N 3.23Å; P86-V88 VanDerWaalsContact O-N 3.09Å; P86-V89 HydrophobicContact CB-CB 4.31Å; P86-V89 HydrophobicContact CB-CG2 3.98Å; P86-V89 HydrophobicContact CG-CB 4.42Å; P86-V89 HydrophobicContact CG-CG2 3.93Å; P86-V89 WeakPolarHBondContact O-CA 3.38Å; P86-V89 WeakPolarHBondContact O-CB 3.38Å; P86-V89 PolarHBondContact O-N 3.44Å; P86-Y90 PolarHBondContact O-N 3.38Å | ||
| 87 | P | 92.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 27.9 Ų | 27.9 | 33% | 0.325 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -51.7 | -39.7 | -176.2 | -30.3 | 34.9 | 0 | 0 | 0 | 114 | S46 Y90 A91 | S46-P87 WeakPolarHBondContact OG-CD 3.26Å; P87-Y90 PolarHBondContact O-N 3.4Å; P87-A91 WeakPolarHBondContact O-CB 3.26Å; P87-A91 PolarHBondContact O-N 3.3Å |
| 88 | V | 95.8 | Very high | 97.6 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 26% | 0.261 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.5 | 66 | 0 | 0 | 0 | 0 | 112.5 | P86 Y90 A91 V92 L123 F124 C127 | P86-V88 HydrophobicContact CB-CG1 4.34Å; P86-V88 PolarHBondContact O-N 3.23Å; P86-V88 VanDerWaalsContact O-N 3.09Å; V88-Y90 VanDerWaalsContact C-N 3.34Å; V88-A91 PolarHBondContact O-N 3.36Å; V88-V92 PolarHBondContact O-N 3.13Å; V88-L123 HydrophobicContact CG2-CB 3.9Å; V88-F124 HydrophobicContact CG2-CD1 3.78Å; V88-F124 HydrophobicContact CG2-CE1 4.07Å; V88-C127 HydrophobicContact CG2-CB 4.02Å |
| 89 | V | 98 | Very high | 97.6 | Very high | 27 Ų | 27 | 23.3 Ų | 23.3 | 16% | 0.164 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 110 | D85 P86 V92 K93 V131 | D85-V89 HydrophobicContact CB-CB 4.26Å; D85-V89 HydrophobicContact CB-CG1 4.15Å; P86-V89 HydrophobicContact CB-CB 4.31Å; P86-V89 HydrophobicContact CB-CG2 3.98Å; P86-V89 HydrophobicContact CG-CB 4.42Å; P86-V89 HydrophobicContact CG-CG2 3.93Å; P86-V89 WeakPolarHBondContact O-CA 3.38Å; P86-V89 WeakPolarHBondContact O-CB 3.38Å; P86-V89 PolarHBondContact O-N 3.44Å; V89-V92 WeakPolarHBondContact O-CG2 3.4Å; V89-K93 HydrophobicContact CG1-CD 4.16Å; V89-K93 WeakPolarHBondContact O-CG 3.31Å; V89-K93 PolarHBondContact O-N 2.83Å; V89-K93 VanDerWaalsContact O-N 3.09Å; V89-V131 HydrophobicContact CG1-CG2 4.26Å |
| 90 | Y | 98.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 177.2 | -175.2 | -113.9 | 0 | 0 | 0 | 111.6 | A82 P86 P87 V88 V92 K93 E94 R270 | A82-Y90 HydrophobicContact CB-CD1 4.35Å; A82-Y90 HydrophobicContact CB-CD2 3.8Å; A82-Y90 HydrophobicContact CB-CE1 3.94Å; A82-Y90 HydrophobicContact CB-CE2 3.34Å; A82-Y90 HydrophobicContact CB-CG 4.29Å; A82-Y90 VanDerWaalsContact CB-CZ 3.43Å; P86-Y90 PolarHBondContact O-N 3.38Å; P87-Y90 PolarHBondContact O-N 3.4Å; V88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-V92 PolarHBondContact O-N 3.12Å; Y90-K93 PolarHBondContact O-N 3.15Å; Y90-E94 HydrophobicContact CD1-CG 4.38Å; Y90-E94 HydrophobicContact CE1-CG 3.88Å; Y90-E94 HydrophobicContact CE2-CG 4.04Å; Y90-E94 WeakPolarHBondContact O-CG 3.28Å; Y90-E94 PolarHBondContact O-N 2.71Å; Y90-R270 HydrophobicContact CE1-CB 4.16Å; Y90-R270 HydrophobicContact CE1-CG 4.09Å |
| 91 | A | 97.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P87 V88 E94 L95 F124 | P87-A91 WeakPolarHBondContact O-CB 3.26Å; P87-A91 PolarHBondContact O-N 3.3Å; V88-A91 PolarHBondContact O-N 3.36Å; A91-E94 PolarHBondContact O-N 2.88Å; A91-L95 WeakPolarHBondContact O-CG 3.46Å; A91-L95 PolarHBondContact O-N 3Å; A91-F124 HydrophobicContact CB-CD1 4.37Å; A91-F124 HydrophobicContact CB-CE1 3.64Å; A91-F124 HydrophobicContact CB-CZ 4Å |
| 92 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -34 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | V88 V89 Y90 L95 R96 F124 C127 Y128 V131 H132 | V88-V92 PolarHBondContact O-N 3.13Å; V89-V92 WeakPolarHBondContact O-CG2 3.4Å; Y90-V92 PolarHBondContact O-N 3.12Å; V92-L95 PolarHBondContact O-N 2.83Å; V92-R96 PolarHBondContact O-N 3.43Å; V92-F124 HydrophobicContact CG1-CB 4.14Å; V92-F124 HydrophobicContact CG1-CD1 4.05Å; V92-F124 HydrophobicContact CG1-CG 4.42Å; V92-F124 WeakPolarHBondContact CG1-O 3.16Å; V92-C127 HydrophobicContact CG1-CB 4.1Å; V92-C127 HydrophobicContact CG2-CB 4.37Å; V92-Y128 HydrophobicContact CB-CD2 3.93Å; V92-Y128 HydrophobicContact CG1-CD2 4.43Å; V92-V131 HydrophobicContact CG2-CB 4.44Å; V92-V131 HydrophobicContact CG2-CG2 4.24Å; V92-H132 PolarHBondContact O-NE2 2.91Å |
| 93 | K | 98.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 40.6 Ų | 40.6 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 171.9 | -76.2 | 171.4 | 172 | 176.5 | 0 | 111.5 | D85 V89 Y90 R96 K97 V131 | D85-K93 IonicContact OD1-NZ 2.72Å; D85-K93 PolarHBondContact OD1-NZ 3.48Å; D85-K93 VanDerWaalsContact OD2-CD 3.26Å; D85-K93 WeakPolarHBondContact OD2-CD 3.3Å; D85-K93 IonicContact OD2-NZ 3.85Å; D85-K93 PolarHBondContact OD2-NZ 3.25Å; V89-K93 HydrophobicContact CG1-CD 4.16Å; V89-K93 WeakPolarHBondContact O-CG 3.31Å; V89-K93 PolarHBondContact O-N 2.83Å; V89-K93 VanDerWaalsContact O-N 3.09Å; Y90-K93 PolarHBondContact O-N 3.15Å; K93-R96 PolarHBondContact O-N 3.25Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.29Å; K93-V131 HydrophobicContact CG-CG1 4.22Å |
| 94 | E | 98.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 175.1 | -73.7 | -69.2 | 104.2 | 0 | 0 | 111.8 | Y90 A91 R96 K97 A98 V108 I112 R270 | Y90-E94 HydrophobicContact CD1-CG 4.38Å; Y90-E94 HydrophobicContact CE1-CG 3.88Å; Y90-E94 HydrophobicContact CE2-CG 4.04Å; Y90-E94 WeakPolarHBondContact O-CG 3.28Å; Y90-E94 PolarHBondContact O-N 2.71Å; A91-E94 PolarHBondContact O-N 2.88Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 2.9Å; E94-K97 PolarHBondContact O-N 3.37Å; E94-K97 IonicContact OE1-NZ 2.69Å; E94-A98 WeakPolarHBondContact O-CB 3.29Å; E94-A98 PolarHBondContact O-N 3.41Å; E94-V108 HydrophobicContact CB-CG1 4.23Å; E94-I112 HydrophobicContact CB-CD1 3.96Å; E94-R270 HydrophobicContact CG-CG 4.41Å; E94-R270 IonicContact OE2-NH1 2.86Å; E94-R270 PolarHBondContact OE2-NH1 3.31Å |
| 95 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 171.4 | -72.3 | 172.5 | 0 | 0 | 0 | 111.1 | A91 V92 K97 A98 M99 L109 I112 L113 Y128 L136 | A91-L95 WeakPolarHBondContact O-CG 3.46Å; A91-L95 PolarHBondContact O-N 3Å; V92-L95 PolarHBondContact O-N 2.83Å; L95-K97 PolarHBondContact O-N 3.01Å; L95-A98 PolarHBondContact O-N 3.3Å; L95-M99 HydrophobicContact CB-CE 4.35Å; L95-M99 VanDerWaalsContact O-CE 3.32Å; L95-M99 WeakPolarHBondContact O-CE 3.49Å; L95-M99 PolarHBondContact O-N 3.4Å; L95-L109 HydrophobicContact CD2-CD2 3.6Å; L95-I112 HydrophobicContact CD1-CG2 4.03Å; L95-I112 HydrophobicContact CD2-CB 3.99Å; L95-I112 HydrophobicContact CD2-CD1 3.92Å; L95-I112 HydrophobicContact CD2-CG2 3.93Å; L95-I112 HydrophobicContact CG-CB 4.49Å; L95-I112 HydrophobicContact CG-CD1 3.87Å; L95-I112 HydrophobicContact CG-CG2 4.04Å; L95-L113 HydrophobicContact CD1-CD2 4.37Å; L95-L113 HydrophobicContact CD2-CD2 4.33Å; L95-L113 HydrophobicContact CD2-CG 4.23Å; L95-Y128 HydrophobicContact CB-CE2 4.27Å; L95-L136 HydrophobicContact CD1-CD1 4.08Å; L95-L136 HydrophobicContact CD1-CD2 4.22Å |
| 96 | R | 98.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 178.5 | 179.7 | 63.9 | -161.3 | 113.9 | -18.4 | 111.4 | V92 K93 E94 A98 M99 K100 Y128 H132 | V92-R96 PolarHBondContact O-N 3.43Å; K93-R96 PolarHBondContact O-N 3.25Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 2.9Å; R96-A98 VanDerWaalsContact C-N 3.32Å; R96-M99 PolarHBondContact NH1-O 2.87Å; R96-M99 CarbonylContact O-C 3.54Å; R96-M99 PolarHBondContact O-N 3.22Å; R96-K100 VanDerWaalsContact NH1-CA 3.3Å; R96-K100 VanDerWaalsContact O-CB 3.25Å; R96-K100 WeakPolarHBondContact O-CB 3.46Å; R96-K100 PolarHBondContact O-N 3.11Å; R96-Y128 HydrophobicContact CB-CE2 3.85Å; R96-Y128 WeakPolarHBondContact CD-OH 3.38Å; R96-H132 VanDerWaalsContact CB-NE2 3.34Å; R96-H132 WeakPolarHBondContact CB-NE2 3.47Å |
| 97 | K | 98.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 49.1 Ų | 49.1 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 177 | 179.6 | -175 | 167.2 | -165.7 | 0 | 110.5 | K93 E94 L95 M99 K100 D266 | K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.29Å; E94-K97 PolarHBondContact O-N 3.37Å; E94-K97 IonicContact OE1-NZ 2.69Å; L95-K97 PolarHBondContact O-N 3.01Å; K97-M99 VanDerWaalsContact C-N 3.25Å; K97-M99 PolarHBondContact O-N 3Å; K97-K100 PolarHBondContact O-N 3.03Å; K97-K100 VanDerWaalsContact O-N 3.15Å; K97-D266 IonicContact NZ-OD1 3.88Å; K97-D266 IonicContact NZ-OD2 2.65Å; K97-D266 PolarHBondContact NZ-OD2 2.88Å |
| 98 | A | 97.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 47 Ų | 47 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -31.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E94 L95 R96 T104 D105 V108 L109 | E94-A98 WeakPolarHBondContact O-CB 3.29Å; E94-A98 PolarHBondContact O-N 3.41Å; L95-A98 PolarHBondContact O-N 3.3Å; R96-A98 VanDerWaalsContact C-N 3.32Å; A98-T104 CarbonylContact O-C 3.58Å; A98-T104 WeakPolarHBondContact O-CA 3.29Å; A98-D105 HydrophobicContact CB-CB 3.93Å; A98-D105 PolarHBondContact O-N 2.96Å; A98-V108 HydrophobicContact CB-CB 3.84Å; A98-V108 HydrophobicContact CB-CG1 3.88Å; A98-L109 HydrophobicContact CB-CD2 4.06Å; A98-L109 HydrophobicContact CB-CG 4.42Å |
| 99 | M | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 6.4 | 178.9 | -63.2 | -177 | -71.8 | 0 | 0 | 113.4 | L95 R96 K97 T104 L109 Y128 L136 D139 I140 D143 | L95-M99 HydrophobicContact CB-CE 4.35Å; L95-M99 VanDerWaalsContact O-CE 3.32Å; L95-M99 WeakPolarHBondContact O-CE 3.49Å; L95-M99 PolarHBondContact O-N 3.4Å; R96-M99 PolarHBondContact NH1-O 2.87Å; R96-M99 CarbonylContact O-C 3.54Å; R96-M99 PolarHBondContact O-N 3.22Å; K97-M99 VanDerWaalsContact C-N 3.25Å; K97-M99 PolarHBondContact O-N 3Å; M99-T104 HydrophobicContact CG-CG2 4.44Å; M99-L109 HydrophobicContact CG-CD1 4.31Å; M99-L109 HydrophobicContact CG-CD2 4.08Å; M99-L109 HydrophobicContact SD-CD2 4.38Å; M99-Y128 HydrophobicContact CE-CE2 4.1Å; M99-Y128 WeakPolarHBondContact CE-OH 3.44Å; M99-L136 HydrophobicContact CE-CD1 3.98Å; M99-D139 HydrophobicContact CE-CB 3.92Å; M99-D139 HydrophobicContact SD-CB 3.98Å; M99-I140 HydrophobicContact CE-CD1 4.11Å; M99-I140 HydrophobicContact CE-CG1 4.24Å; M99-I140 HydrophobicContact SD-CB 4.47Å; M99-I140 HydrophobicContact SD-CD1 3.42Å; M99-I140 WeakPolarHBondContact SD-CD1 3.29Å; M99-I140 HydrophobicContact SD-CG1 3.75Å; M99-D143 HydrophobicContact CB-CB 4.16Å; M99-D143 HydrophobicContact CG-CB 4.02Å; M99-D143 HydrophobicContact SD-CB 4.28Å |
| 100 | K | 95.3 | Very high | 96.7 | Very high | 150 Ų | 150 | 44.1 Ų | 44.1 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -99.2 | 112.9 | -174.4 | -171.6 | 178 | 176.3 | -176 | 0 | 111 | R96 K97 | R96-K100 VanDerWaalsContact NH1-CA 3.3Å; R96-K100 VanDerWaalsContact O-CB 3.25Å; R96-K100 WeakPolarHBondContact O-CB 3.46Å; R96-K100 PolarHBondContact O-N 3.11Å; K97-K100 PolarHBondContact O-N 3.03Å; K97-K100 VanDerWaalsContact O-N 3.15Å |
| 101 | G | 92.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 49% | 0.485 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 110.1 | -162.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G103 | G101-G103 PolarHBondContact O-N 3.01Š|
| 102 | P | 90.2 | Very high | 96.8 | Very high | 140 Ų | 140 | 43.6 Ų | 43.6 | 91% | 0.909 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -73.2 | 123 | 177.3 | 28.6 | -31.7 | 0 | 0 | 0 | 110.9 | ||
| 103 | G | 92.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 59% | 0.588 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 84.6 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G101 | G101-G103 PolarHBondContact O-N 3.01Š|
| 104 | T | 95 | Very high | 96.7 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 23% | 0.233 | 23% | 0.231 | C | C | . | . | trans | -133.7 | 132.3 | -174.8 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | A98 M99 E106 L109 D143 | A98-T104 CarbonylContact O-C 3.58Å; A98-T104 WeakPolarHBondContact O-CA 3.29Å; M99-T104 HydrophobicContact CG-CG2 4.44Å; T104-E106 VanDerWaalsContact C-N 3.31Å; T104-E106 HydrophobicContact CG2-CG 4.27Å; T104-E106 PolarHBondContact O-N 3.15Å; T104-E106 VanDerWaalsContact O-N 3.08Å; T104-L109 HydrophobicContact CG2-CD1 3.61Å; T104-L109 HydrophobicContact CG2-CG 4.4Å; T104-D143 PolarHBondContact OG1-O 3.29Å | ||
| 105 | D | 96.4 | Very high | 96.7 | Very high | 77 Ų | 77 | 40.9 Ų | 40.9 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | trans | -80.4 | 84.6 | 168 | -169 | -22 | 0 | 0 | 0 | 109.8 | A98 D107 V108 L109 | A98-D105 HydrophobicContact CB-CB 3.93Å; A98-D105 PolarHBondContact O-N 2.96Å; D105-D107 PolarHBondContact O-N 2.94Å; D105-D107 PolarHBondContact OD1-N 3.35Å; D105-V108 HydrophobicContact CB-CG2 4.29Å; D105-V108 PolarHBondContact O-N 3.34Å; D105-V108 PolarHBondContact OD1-N 3.16Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.42Å; D105-L109 PolarHBondContact O-N 2.9Å | ||
| 106 | E | 95.4 | Very high | 96.6 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.8 | -24.8 | -177.6 | -61.6 | 163.4 | 119.2 | 0 | 0 | 112.5 | T104 V108 L109 V110 T231 | T104-E106 VanDerWaalsContact C-N 3.31Å; T104-E106 HydrophobicContact CG2-CG 4.27Å; T104-E106 PolarHBondContact O-N 3.15Å; T104-E106 VanDerWaalsContact O-N 3.08Å; E106-V108 VanDerWaalsContact C-N 3.33Å; E106-L109 PolarHBondContact O-N 3.03Å; E106-V110 WeakPolarHBondContact O-CB 3.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.45Å; E106-V110 PolarHBondContact O-N 3.39Å; E106-T231 HydrophobicContact CB-CG2 3.69Å; E106-T231 HydrophobicContact CG-CG2 4.09Å; E106-T231 WeakPolarHBondContact OE1-CB 2.93Å; E106-T231 PolarHBondContact OE1-OG1 2.89Å; E106-T231 PolarHBondContact OE2-OG1 3.39Å |
| 107 | D | 96.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 42 Ų | 42 | 25% | 0.251 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 178.3 | -80.8 | -53.3 | 0 | 0 | 0 | 111.1 | D105 E111 K234 | D105-D107 PolarHBondContact O-N 2.94Å; D105-D107 PolarHBondContact OD1-N 3.35Å; D107-E111 WeakPolarHBondContact O-CB 3.3Å; D107-E111 PolarHBondContact O-N 3.5Å; D107-K234 VanDerWaalsContact OD1-CD 3.3Å; D107-K234 WeakPolarHBondContact OD1-CD 3.46Å; D107-K234 WeakPolarHBondContact OD1-CE 3.43Å; D107-K234 IonicContact OD1-NZ 2.99Å; D107-K234 PolarHBondContact OD1-NZ 2.91Å; D107-K234 IonicContact OD2-NZ 3.34Å; D107-K234 PolarHBondContact OD2-NZ 3.24Å |
| 108 | V | 98.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -44.7 | 173.8 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | E94 A98 D105 E106 V110 E111 I112 | E94-V108 HydrophobicContact CB-CG1 4.23Å; A98-V108 HydrophobicContact CB-CB 3.84Å; A98-V108 HydrophobicContact CB-CG1 3.88Å; D105-V108 HydrophobicContact CB-CG2 4.29Å; D105-V108 PolarHBondContact O-N 3.34Å; D105-V108 PolarHBondContact OD1-N 3.16Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.42Å; E106-V108 VanDerWaalsContact C-N 3.33Å; V108-V110 VanDerWaalsContact C-N 3.34Å; V108-V110 PolarHBondContact O-N 3.1Å; V108-E111 PolarHBondContact O-N 3.47Å; V108-I112 HydrophobicContact CG1-CD1 3.73Å; V108-I112 HydrophobicContact CG1-CG1 4.45Å; V108-I112 WeakPolarHBondContact O-CG1 3.37Å; V108-I112 PolarHBondContact O-N 3.37Å |
| 109 | L | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 177.3 | -61.8 | -171.7 | 0 | 0 | 0 | 111.5 | L95 A98 M99 T104 D105 E106 L113 I140 T144 L152 | L95-L109 HydrophobicContact CD2-CD2 3.6Å; A98-L109 HydrophobicContact CB-CD2 4.06Å; A98-L109 HydrophobicContact CB-CG 4.42Å; M99-L109 HydrophobicContact CG-CD1 4.31Å; M99-L109 HydrophobicContact CG-CD2 4.08Å; M99-L109 HydrophobicContact SD-CD2 4.38Å; T104-L109 HydrophobicContact CG2-CD1 3.61Å; T104-L109 HydrophobicContact CG2-CG 4.4Å; D105-L109 PolarHBondContact O-N 2.9Å; E106-L109 PolarHBondContact O-N 3.03Å; L109-L113 VanDerWaalsContact O-CB 3.31Å; L109-L113 WeakPolarHBondContact O-CB 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.38Å; L109-I140 HydrophobicContact CD1-CD1 3.9Å; L109-I140 HydrophobicContact CD2-CD1 3.81Å; L109-I140 HydrophobicContact CG-CD1 4.43Å; L109-T144 HydrophobicContact CD1-CG2 3.94Å; L109-L152 HydrophobicContact CB-CD1 4.42Å; L109-L152 HydrophobicContact CD1-CD1 4.29Å |
| 110 | V | 98.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | E106 V108 I112 C114 T231 K234 C235 A238 | E106-V110 WeakPolarHBondContact O-CB 3.43Å; E106-V110 WeakPolarHBondContact O-CG2 3.45Å; E106-V110 PolarHBondContact O-N 3.39Å; V108-V110 VanDerWaalsContact C-N 3.34Å; V108-V110 PolarHBondContact O-N 3.1Å; V110-I112 PolarHBondContact O-N 2.9Å; V110-C114 WeakPolarHBondContact O-CB 3.45Å; V110-C114 PolarHBondContact O-N 2.82Å; V110-C114 PolarHBondContact O-SG 2.95Å; V110-T231 HydrophobicContact CG2-CG2 4.12Å; V110-K234 HydrophobicContact CG1-CB 4.33Å; V110-K234 HydrophobicContact CG2-CB 4.1Å; V110-C235 VanDerWaalsContact CG2-SG 3.58Å; V110-A238 HydrophobicContact CG1-CB 3.74Å |
| 111 | E | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | -176.5 | -170.6 | -177.7 | 104.7 | 0 | 0 | 112.2 | D107 V108 T115 Y249 F250 R253 R270 I271 | D107-E111 WeakPolarHBondContact O-CB 3.3Å; D107-E111 PolarHBondContact O-N 3.5Å; V108-E111 PolarHBondContact O-N 3.47Å; E111-T115 WeakPolarHBondContact O-CB 3.4Å; E111-T115 WeakPolarHBondContact O-CG2 3.47Å; E111-T115 PolarHBondContact O-OG1 3.17Å; E111-Y249 HydrophobicContact CG-CE1 4.47Å; E111-F250 HydrophobicContact CG-CE1 4.35Å; E111-R253 IonicContact OE2-CZ 3.13Å; E111-R253 IonicContact OE2-NE 3.4Å; E111-R253 PolarHBondContact OE2-NE 2.88Å; E111-R253 IonicContact OE2-NH2 2.65Å; E111-R270 VanDerWaalsContact CD-NH2 3.32Å; E111-R270 IonicContact OE1-CZ 3.83Å; E111-R270 IonicContact OE1-NE 2.84Å; E111-R270 PolarHBondContact OE1-NE 3.09Å; E111-R270 IonicContact OE1-NH2 3.32Å; E111-R270 PolarHBondContact OE1-NH2 3.45Å; E111-R270 VanDerWaalsContact OE1-NH2 3.1Å; E111-R270 IonicContact OE2-NH2 2.74Å; E111-R270 PolarHBondContact OE2-NH2 3.08Å; E111-I271 WeakPolarHBondContact OE1-CG1 3.26Å |
| 112 | I | 98.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76.8 | -52 | -176.6 | -63.9 | 173.9 | 0 | 0 | 0 | 110.6 | E94 L95 V108 V110 T115 A116 F124 | E94-I112 HydrophobicContact CB-CD1 3.96Å; L95-I112 HydrophobicContact CD1-CG2 4.03Å; L95-I112 HydrophobicContact CD2-CB 3.99Å; L95-I112 HydrophobicContact CD2-CD1 3.92Å; L95-I112 HydrophobicContact CD2-CG2 3.93Å; L95-I112 HydrophobicContact CG-CB 4.49Å; L95-I112 HydrophobicContact CG-CD1 3.87Å; L95-I112 HydrophobicContact CG-CG2 4.04Å; V108-I112 HydrophobicContact CG1-CD1 3.73Å; V108-I112 HydrophobicContact CG1-CG1 4.45Å; V108-I112 WeakPolarHBondContact O-CG1 3.37Å; V108-I112 PolarHBondContact O-N 3.37Å; V110-I112 PolarHBondContact O-N 2.9Å; I112-T115 PolarHBondContact O-N 3.46Å; I112-T115 PolarHBondContact O-OG1 3.39Å; I112-A116 WeakPolarHBondContact O-CB 3.44Å; I112-A116 PolarHBondContact O-N 3.15Å; I112-F124 HydrophobicContact CG2-CD2 4.24Å; I112-F124 HydrophobicContact CG2-CE2 3.58Å; I112-F124 HydrophobicContact CG2-CZ 3.97Å |
| 113 | L | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.8 | -30.8 | -170.1 | -60.3 | 179.4 | 0 | 0 | 0 | 113.4 | L95 L109 T115 I121 I140 L152 L156 | L95-L113 HydrophobicContact CD1-CD2 4.37Å; L95-L113 HydrophobicContact CD2-CD2 4.33Å; L95-L113 HydrophobicContact CD2-CG 4.23Å; L109-L113 VanDerWaalsContact O-CB 3.31Å; L109-L113 WeakPolarHBondContact O-CB 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 3.38Å; L113-T115 VanDerWaalsContact C-N 3.28Å; L113-T115 PolarHBondContact O-N 2.91Å; L113-I121 HydrophobicContact CD2-CD1 4.09Å; L113-I140 HydrophobicContact CD1-CD1 3.88Å; L113-L152 HydrophobicContact CB-CD2 4.21Å; L113-L152 HydrophobicContact CD1-CB 4.43Å; L113-L152 HydrophobicContact CD1-CD1 4.42Å; L113-L152 HydrophobicContact CD1-CD2 4Å; L113-L156 HydrophobicContact CD2-CD2 3.99Å |
| 114 | C | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.3 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | V110 A238 L239 | V110-C114 WeakPolarHBondContact O-CB 3.45Å; V110-C114 PolarHBondContact O-N 2.82Å; V110-C114 PolarHBondContact O-SG 2.95Å; C114-A238 HydrophobicContact CB-CB 3.83Å; C114-L239 HydrophobicContact CB-CD2 3.87Å; C114-L239 HydrophobicContact CB-CG 4.09Å |
| 115 | T | 96.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -8.9 | 177.9 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | E111 I112 L113 V242 Y249 F250 | E111-T115 WeakPolarHBondContact O-CB 3.4Å; E111-T115 WeakPolarHBondContact O-CG2 3.47Å; E111-T115 PolarHBondContact O-OG1 3.17Å; I112-T115 PolarHBondContact O-N 3.46Å; I112-T115 PolarHBondContact O-OG1 3.39Å; L113-T115 VanDerWaalsContact C-N 3.28Å; L113-T115 PolarHBondContact O-N 2.91Å; T115-V242 HydrophobicContact CG2-CG2 3.74Å; T115-Y249 HydrophobicContact CG2-CD1 3.84Å; T115-Y249 HydrophobicContact CG2-CE1 3.47Å; T115-Y249 VanDerWaalsContact CG2-CE1 3.47Å; T115-F250 HydrophobicContact CG2-CE1 4.26Å; T115-F250 HydrophobicContact CG2-CE2 4.29Å; T115-F250 HydrophobicContact CG2-CZ 3.68Å |
| 116 | A | 97 | Very high | 97.9 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | trans | -69.4 | 139.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I112 D120 I121 F124 | I112-A116 WeakPolarHBondContact O-CB 3.44Å; I112-A116 PolarHBondContact O-N 3.15Å; A116-D120 HydrophobicContact CB-CB 3.96Å; A116-I121 HydrophobicContact CB-CD1 3.57Å; A116-I121 HydrophobicContact CB-CG1 3.83Å; A116-F124 HydrophobicContact CB-CE2 3.89Å | ||
| 117 | T | 96.8 | Very high | 98 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | trans | -78.7 | 168.9 | 165 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | A119 D120 I121 | T117-A119 PolarHBondContact O-N 2.9Å; T117-D120 WeakPolarHBondContact CB-OD2 3.39Å; T117-D120 PolarHBondContact N-OD2 3.47Å; T117-D120 PolarHBondContact O-N 3.16Å; T117-D120 VanDerWaalsContact O-N 3.14Å; T117-D120 PolarHBondContact OG1-N 3.45Å; T117-D120 VanDerWaalsContact OG1-N 3.13Å; T117-D120 PolarHBondContact OG1-OD2 2.82Å; T117-I121 WeakPolarHBondContact O-CG1 3.25Å; T117-I121 PolarHBondContact O-N 2.86Å | ||
| 118 | N | 98.2 | Very high | 98.1 | Very high | 31 Ų | 31 | 30 Ų | 30 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.7 | -63.3 | -19.5 | 0 | 0 | 0 | 111.6 | I121 A122 G158 N159 R160 E162 | N118-I121 PolarHBondContact O-N 2.87Å; N118-A122 PolarHBondContact O-N 2.93Å; N118-G158 VanDerWaalsContact CB-O 3.24Å; N118-G158 WeakPolarHBondContact CB-O 3.36Å; N118-G158 PolarHBondContact ND2-O 3.46Å; N118-G158 PolarHBondContact OD1-O 3.47Å; N118-N159 PolarHBondContact OD1-N 2.95Å; N118-R160 PolarHBondContact ND2-O 3.17Å; N118-R160 PolarHBondContact OD1-N 3.3Å; N118-E162 WeakPolarHBondContact CB-OE1 3.41Å; N118-E162 VanDerWaalsContact ND2-CG 3.34Å; N118-E162 WeakPolarHBondContact ND2-CG 3.43Å; N118-E162 PolarHBondContact ND2-OE1 2.91Å |
| 119 | A | 97.8 | Very high | 98.1 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 46% | 0.463 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T117 A122 L123 | T117-A119 PolarHBondContact O-N 2.9Å; A119-A122 PolarHBondContact O-N 3.49Å; A119-L123 WeakPolarHBondContact O-CG 3.46Å; A119-L123 PolarHBondContact O-N 3.37Å |
| 120 | D | 97.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 32% | 0.316 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.6 | -62.2 | -46.6 | 0 | 0 | 0 | 111.3 | A116 T117 A122 L123 F124 | A116-D120 HydrophobicContact CB-CB 3.96Å; T117-D120 WeakPolarHBondContact CB-OD2 3.39Å; T117-D120 PolarHBondContact N-OD2 3.47Å; T117-D120 PolarHBondContact O-N 3.16Å; T117-D120 VanDerWaalsContact O-N 3.14Å; T117-D120 PolarHBondContact OG1-N 3.45Å; T117-D120 VanDerWaalsContact OG1-N 3.13Å; T117-D120 PolarHBondContact OG1-OD2 2.82Å; D120-A122 VanDerWaalsContact C-N 3.35Å; D120-A122 PolarHBondContact O-N 3.41Å; D120-L123 CarbonylContact O-C 3.59Å; D120-L123 PolarHBondContact O-N 3.46Å; D120-F124 HydrophobicContact CB-CE2 4.03Å; D120-F124 HydrophobicContact CB-CZ 4.04Å; D120-F124 WeakPolarHBondContact O-CB 3.37Å; D120-F124 WeakPolarHBondContact O-CD2 3.25Å; D120-F124 WeakPolarHBondContact O-CG 3.19Å; D120-F124 PolarHBondContact O-N 2.61Å |
| 121 | I | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 178.1 | -67.5 | -63.9 | 0 | 0 | 0 | 111.2 | L113 A116 T117 N118 F124 K125 L156 | L113-I121 HydrophobicContact CD2-CD1 4.09Å; A116-I121 HydrophobicContact CB-CD1 3.57Å; A116-I121 HydrophobicContact CB-CG1 3.83Å; T117-I121 WeakPolarHBondContact O-CG1 3.25Å; T117-I121 PolarHBondContact O-N 2.86Å; N118-I121 PolarHBondContact O-N 2.87Å; I121-F124 HydrophobicContact CD1-CD2 4.43Å; I121-F124 PolarHBondContact O-N 3.22Å; I121-K125 WeakPolarHBondContact O-CG 3.3Å; I121-K125 PolarHBondContact O-N 2.86Å; I121-L156 HydrophobicContact CD1-CD2 4.28Å; I121-L156 HydrophobicContact CG2-CD2 4.45Å; I121-L156 WeakPolarHBondContact CG2-O 3.06Å |
| 122 | A | 98.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N118 A119 D120 K125 E126 | N118-A122 PolarHBondContact O-N 2.93Å; A119-A122 PolarHBondContact O-N 3.49Å; D120-A122 VanDerWaalsContact C-N 3.35Å; D120-A122 PolarHBondContact O-N 3.41Å; A122-K125 PolarHBondContact O-N 2.84Å; A122-E126 PolarHBondContact O-N 2.97Å |
| 123 | L | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 45% | 0.45 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.4 | -72.8 | 174 | 0 | 0 | 0 | 112.5 | V88 A119 D120 E126 C127 | V88-L123 HydrophobicContact CG2-CB 3.9Å; A119-L123 WeakPolarHBondContact O-CG 3.46Å; A119-L123 PolarHBondContact O-N 3.37Å; D120-L123 CarbonylContact O-C 3.59Å; D120-L123 PolarHBondContact O-N 3.46Å; L123-E126 PolarHBondContact O-N 3.24Å; L123-C127 WeakPolarHBondContact O-CB 3.35Å; L123-C127 PolarHBondContact O-N 3.18Å |
| 124 | F | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 177.1 | -67 | -21.8 | 0 | 0 | 0 | 111.3 | V88 A91 V92 I112 A116 D120 I121 Y128 L136 | V88-F124 HydrophobicContact CG2-CD1 3.78Å; V88-F124 HydrophobicContact CG2-CE1 4.07Å; A91-F124 HydrophobicContact CB-CD1 4.37Å; A91-F124 HydrophobicContact CB-CE1 3.64Å; A91-F124 HydrophobicContact CB-CZ 4Å; V92-F124 HydrophobicContact CG1-CB 4.14Å; V92-F124 HydrophobicContact CG1-CD1 4.05Å; V92-F124 HydrophobicContact CG1-CG 4.42Å; V92-F124 WeakPolarHBondContact CG1-O 3.16Å; I112-F124 HydrophobicContact CG2-CD2 4.24Å; I112-F124 HydrophobicContact CG2-CE2 3.58Å; I112-F124 HydrophobicContact CG2-CZ 3.97Å; A116-F124 HydrophobicContact CB-CE2 3.89Å; D120-F124 HydrophobicContact CB-CE2 4.03Å; D120-F124 HydrophobicContact CB-CZ 4.04Å; D120-F124 WeakPolarHBondContact O-CB 3.37Å; D120-F124 WeakPolarHBondContact O-CD2 3.25Å; D120-F124 WeakPolarHBondContact O-CG 3.19Å; D120-F124 PolarHBondContact O-N 2.61Å; I121-F124 HydrophobicContact CD1-CD2 4.43Å; I121-F124 PolarHBondContact O-N 3.22Å; F124-Y128 WeakPolarHBondContact O-CB 3.5Å; F124-Y128 PolarHBondContact O-N 3.32Å; F124-L136 HydrophobicContact CB-CD2 4Å |
| 125 | K | 98.7 | Very high | 98.1 | Very high | 56 Ų | 56 | 62.6 Ų | 62.6 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 177.8 | -70.2 | -177.1 | -175.7 | -173.3 | 0 | 112 | I121 A122 F129 L136 E137 L156 | I121-K125 WeakPolarHBondContact O-CG 3.3Å; I121-K125 PolarHBondContact O-N 2.86Å; A122-K125 PolarHBondContact O-N 2.84Å; K125-F129 PolarHBondContact O-N 2.69Å; K125-L136 HydrophobicContact CG-CD2 4.32Å; K125-E137 WeakPolarHBondContact CE-OE1 3.34Å; K125-E137 VanDerWaalsContact NZ-CD 3.33Å; K125-E137 IonicContact NZ-OE1 2.98Å; K125-E137 PolarHBondContact NZ-OE1 3.06Å; K125-E137 IonicContact NZ-OE2 3.06Å; K125-L156 WeakPolarHBondContact CE-O 3.48Å; K125-L156 PolarHBondContact NZ-O 3.41Å |
| 126 | E | 98.5 | Very high | 98.2 | Very high | 112 Ų | 112 | 61.5 Ų | 61.5 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 179.1 | -177.6 | -179.8 | 179.7 | 0 | 0 | 111.4 | A122 L123 Y128 F129 Q130 | A122-E126 PolarHBondContact O-N 2.97Å; L123-E126 PolarHBondContact O-N 3.24Å; E126-Y128 PolarHBondContact O-N 3.37Å; E126-F129 PolarHBondContact O-N 3.34Å; E126-Q130 WeakPolarHBondContact O-CG 3.4Å; E126-Q130 PolarHBondContact O-N 3.43Å; E126-Q130 VanDerWaalsContact O-N 3.08Å; E126-Q130 PolarHBondContact OE1-NE2 3.49Å; E126-Q130 VanDerWaalsContact OE1-NE2 3.16Å |
| 127 | C | 98.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | -176.6 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | V88 V92 L123 F129 Q130 V131 | V88-C127 HydrophobicContact CG2-CB 4.02Å; V92-C127 HydrophobicContact CG1-CB 4.1Å; V92-C127 HydrophobicContact CG2-CB 4.37Å; L123-C127 WeakPolarHBondContact O-CB 3.35Å; L123-C127 PolarHBondContact O-N 3.18Å; C127-F129 VanDerWaalsContact C-N 3.3Å; C127-F129 PolarHBondContact O-N 3.33Å; C127-Q130 PolarHBondContact O-N 3.26Å; C127-V131 WeakPolarHBondContact O-CB 3.07Å; C127-V131 VanDerWaalsContact O-CG2 3.26Å; C127-V131 WeakPolarHBondContact O-CG2 3.28Å; C127-V131 PolarHBondContact O-N 2.93Å |
| 128 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 176.5 | -166.1 | -87.3 | 0 | 0 | 0 | 111.1 | V92 L95 R96 M99 F124 E126 H132 R134 L136 D139 | V92-Y128 HydrophobicContact CB-CD2 3.93Å; V92-Y128 HydrophobicContact CG1-CD2 4.43Å; L95-Y128 HydrophobicContact CB-CE2 4.27Å; R96-Y128 HydrophobicContact CB-CE2 3.85Å; R96-Y128 WeakPolarHBondContact CD-OH 3.38Å; M99-Y128 HydrophobicContact CE-CE2 4.1Å; M99-Y128 WeakPolarHBondContact CE-OH 3.44Å; F124-Y128 WeakPolarHBondContact O-CB 3.5Å; F124-Y128 PolarHBondContact O-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.37Å; Y128-H132 AromaticContact CD2-CD2 3.79Å; Y128-H132 HydrophobicContact CE1-CB 4.47Å; Y128-H132 AromaticContact CE2-CD2 3.78Å; Y128-H132 WeakPolarHBondContact O-CB 3.33Å; Y128-H132 PolarHBondContact O-N 3.37Å; Y128-R134 HydrophobicContact CD1-CB 4.27Å; Y128-R134 WeakPolarHBondContact CD1-O 3.41Å; Y128-R134 HydrophobicContact CE1-CB 3.75Å; Y128-L136 HydrophobicContact CD1-CB 3.83Å; Y128-L136 HydrophobicContact CD1-CD1 4.49Å; Y128-L136 HydrophobicContact CD2-CB 4.37Å; Y128-L136 HydrophobicContact CD2-CD1 3.78Å; Y128-L136 HydrophobicContact CE1-CB 4.35Å; Y128-L136 HydrophobicContact CE1-CD1 4.5Å; Y128-L136 HydrophobicContact CE2-CD1 3.82Å; Y128-L136 HydrophobicContact CG-CB 3.84Å; Y128-L136 HydrophobicContact CG-CD1 4.14Å; Y128-L136 HydrophobicContact CG-CG 4.44Å; Y128-D139 WeakPolarHBondContact CE1-OD2 3.4Å; Y128-D139 PolarHBondContact OH-OD2 2.95Å |
| 129 | F | 98.3 | Very high | 98.3 | Very high | 128 Ų | 128 | 61 Ų | 61 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 174.1 | -176.8 | -98.6 | 0 | 0 | 0 | 112.2 | K125 E126 C127 V131 E133 R134 | K125-F129 PolarHBondContact O-N 2.69Å; E126-F129 PolarHBondContact O-N 3.34Å; C127-F129 VanDerWaalsContact C-N 3.3Å; C127-F129 PolarHBondContact O-N 3.33Å; F129-V131 VanDerWaalsContact C-N 3.34Å; F129-V131 PolarHBondContact O-N 3.38Å; F129-E133 WeakPolarHBondContact O-CA 3.32Å; F129-E133 PolarHBondContact O-N 2.98Å; F129-R134 VanDerWaalsContact CA-O 3.29Å; F129-R134 WeakPolarHBondContact CA-O 3.28Å |
| 130 | Q | 98.3 | Very high | 98.3 | Very high | 126 Ų | 126 | 58.4 Ų | 58.4 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 179.2 | -69.9 | 174.6 | 0.6 | 0 | 0 | 113.1 | E126 C127 | E126-Q130 WeakPolarHBondContact O-CG 3.4Å; E126-Q130 PolarHBondContact O-N 3.43Å; E126-Q130 VanDerWaalsContact O-N 3.08Å; E126-Q130 PolarHBondContact OE1-NE2 3.49Å; E126-Q130 VanDerWaalsContact OE1-NE2 3.16Å; C127-Q130 PolarHBondContact O-N 3.26Å |
| 131 | V | 97.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -86.2 | -33.4 | -174.6 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | V89 V92 K93 C127 F129 | V89-V131 HydrophobicContact CG1-CG2 4.26Å; V92-V131 HydrophobicContact CG2-CB 4.44Å; V92-V131 HydrophobicContact CG2-CG2 4.24Å; K93-V131 HydrophobicContact CG-CG1 4.22Å; C127-V131 WeakPolarHBondContact O-CB 3.07Å; C127-V131 VanDerWaalsContact O-CG2 3.26Å; C127-V131 WeakPolarHBondContact O-CG2 3.28Å; C127-V131 PolarHBondContact O-N 2.93Å; F129-V131 VanDerWaalsContact C-N 3.34Å; F129-V131 PolarHBondContact O-N 3.38Å |
| 132 | H | 97.9 | Very high | 98.3 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -117.6 | -9.4 | -171.5 | -60.6 | -51.5 | 0 | 0 | 0 | 114.8 | V92 R96 Y128 R134 | V92-H132 PolarHBondContact O-NE2 2.91Å; R96-H132 VanDerWaalsContact CB-NE2 3.34Å; R96-H132 WeakPolarHBondContact CB-NE2 3.47Å; Y128-H132 AromaticContact CD2-CD2 3.79Å; Y128-H132 HydrophobicContact CE1-CB 4.47Å; Y128-H132 AromaticContact CE2-CD2 3.78Å; Y128-H132 WeakPolarHBondContact O-CB 3.33Å; Y128-H132 PolarHBondContact O-N 3.37Å; H132-R134 HydrophobicContact CB-CB 4.28Å; H132-R134 HydrophobicContact CB-CG 4.42Å; H132-R134 WeakPolarHBondContact O-CG 3.43Å; H132-R134 PolarHBondContact O-N 2.93Å |
| 133 | E | 98.1 | Very high | 98.2 | Very high | 171 Ų | 171 | 63.7 Ų | 63.7 | 80% | 0.799 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 53.9 | 38.1 | -171.5 | -56.6 | -174 | 149.3 | 0 | 0 | 112.1 | F129 | F129-E133 WeakPolarHBondContact O-CA 3.32Å; F129-E133 PolarHBondContact O-N 2.98Å |
| 134 | R | 98.2 | Very high | 98.1 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -134.7 | 158.5 | -177.5 | -68.1 | -178.9 | 75.8 | 77.5 | 2.7 | 110.9 | Y128 F129 H132 D139 | Y128-R134 HydrophobicContact CD1-CB 4.27Å; Y128-R134 WeakPolarHBondContact CD1-O 3.41Å; Y128-R134 HydrophobicContact CE1-CB 3.75Å; F129-R134 VanDerWaalsContact CA-O 3.29Å; F129-R134 WeakPolarHBondContact CA-O 3.28Å; H132-R134 HydrophobicContact CB-CB 4.28Å; H132-R134 HydrophobicContact CB-CG 4.42Å; H132-R134 WeakPolarHBondContact O-CG 3.43Å; H132-R134 PolarHBondContact O-N 2.93Å; R134-D139 IonicContact CZ-OD1 2.99Å; R134-D139 IonicContact CZ-OD2 2.84Å; R134-D139 VanDerWaalsContact NE-CG 3.35Å; R134-D139 IonicContact NE-OD1 3.19Å; R134-D139 PolarHBondContact NE-OD1 2.72Å; R134-D139 IonicContact NE-OD2 2.64Å; R134-D139 PolarHBondContact NE-OD2 3.28Å; R134-D139 IonicContact NH2-OD1 2.77Å; R134-D139 PolarHBondContact NH2-OD1 3.29Å; R134-D139 IonicContact NH2-OD2 3.19Å |
| 135 | D | 98.4 | Very high | 98 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | trans | -92.3 | 124.9 | 174.2 | -179.2 | -107.3 | 0 | 0 | 0 | 110.1 | E137 A138 D139 | D135-E137 VanDerWaalsContact C-N 3.34Å; D135-E137 WeakPolarHBondContact OD1-CB 3.24Å; D135-E137 PolarHBondContact OD1-N 2.79Å; D135-A138 HydrophobicContact CB-CB 3.96Å; D135-A138 WeakPolarHBondContact OD1-CB 3.36Å; D135-A138 PolarHBondContact OD1-N 3.45Å; D135-D139 PolarHBondContact O-N 2.99Å; D135-D139 VanDerWaalsContact O-N 3.11Å | ||
| 136 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | -177 | 175.2 | 58.7 | 0 | 0 | 0 | 111.7 | L95 M99 F124 K125 Y128 D139 I140 L156 | L95-L136 HydrophobicContact CD1-CD1 4.08Å; L95-L136 HydrophobicContact CD1-CD2 4.22Å; M99-L136 HydrophobicContact CE-CD1 3.98Å; F124-L136 HydrophobicContact CB-CD2 4Å; K125-L136 HydrophobicContact CG-CD2 4.32Å; Y128-L136 HydrophobicContact CD1-CB 3.83Å; Y128-L136 HydrophobicContact CD1-CD1 4.49Å; Y128-L136 HydrophobicContact CD2-CB 4.37Å; Y128-L136 HydrophobicContact CD2-CD1 3.78Å; Y128-L136 HydrophobicContact CE1-CB 4.35Å; Y128-L136 HydrophobicContact CE1-CD1 4.5Å; Y128-L136 HydrophobicContact CE2-CD1 3.82Å; Y128-L136 HydrophobicContact CG-CB 3.84Å; Y128-L136 HydrophobicContact CG-CD1 4.14Å; Y128-L136 HydrophobicContact CG-CG 4.44Å; L136-D139 PolarHBondContact O-N 2.91Å; L136-I140 HydrophobicContact CD1-CG1 4.06Å; L136-I140 WeakPolarHBondContact O-CB 3.26Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.29Å; L136-I140 PolarHBondContact O-N 2.73Å; L136-L156 HydrophobicContact CD2-CD2 3.86Å; L136-L156 HydrophobicContact CG-CD2 4.21Å |
| 137 | E | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 179.5 | -73.3 | -174.3 | 146.4 | 0 | 0 | 111.1 | K125 D135 D139 I140 E141 M153 L156 Q157 | K125-E137 WeakPolarHBondContact CE-OE1 3.34Å; K125-E137 VanDerWaalsContact NZ-CD 3.33Å; K125-E137 IonicContact NZ-OE1 2.98Å; K125-E137 PolarHBondContact NZ-OE1 3.06Å; K125-E137 IonicContact NZ-OE2 3.06Å; D135-E137 VanDerWaalsContact C-N 3.34Å; D135-E137 WeakPolarHBondContact OD1-CB 3.24Å; D135-E137 PolarHBondContact OD1-N 2.79Å; E137-D139 VanDerWaalsContact C-N 3.35Å; E137-D139 PolarHBondContact O-N 2.76Å; E137-I140 PolarHBondContact O-N 3.32Å; E137-E141 VanDerWaalsContact O-CB 3.31Å; E137-E141 WeakPolarHBondContact O-CB 3.43Å; E137-E141 PolarHBondContact O-N 2.91Å; E137-M153 HydrophobicContact CB-CE 3.93Å; E137-M153 HydrophobicContact CB-SD 4.45Å; E137-M153 HydrophobicContact CG-CE 4.21Å; E137-L156 HydrophobicContact CG-CB 4.28Å; E137-L156 HydrophobicContact CG-CD1 4.12Å; E137-Q157 PolarHBondContact OE1-NE2 2.98Å |
| 138 | A | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 61 Ų | 61 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | D135 E141 S142 | D135-A138 HydrophobicContact CB-CB 3.96Å; D135-A138 WeakPolarHBondContact OD1-CB 3.36Å; D135-A138 PolarHBondContact OD1-N 3.45Å; A138-E141 PolarHBondContact O-N 3.12Å; A138-S142 WeakPolarHBondContact O-CB 3.48Å; A138-S142 PolarHBondContact O-N 3.06Å; A138-S142 PolarHBondContact O-OG 2.77Å |
| 139 | D | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 176.4 | -80.3 | 2 | 0 | 0 | 0 | 110.4 | M99 Y128 R134 D135 L136 E137 E141 S142 D143 | M99-D139 HydrophobicContact CE-CB 3.92Å; M99-D139 HydrophobicContact SD-CB 3.98Å; Y128-D139 WeakPolarHBondContact CE1-OD2 3.4Å; Y128-D139 PolarHBondContact OH-OD2 2.95Å; R134-D139 IonicContact CZ-OD1 2.99Å; R134-D139 IonicContact CZ-OD2 2.84Å; R134-D139 VanDerWaalsContact NE-CG 3.35Å; R134-D139 IonicContact NE-OD1 3.19Å; R134-D139 PolarHBondContact NE-OD1 2.72Å; R134-D139 IonicContact NE-OD2 2.64Å; R134-D139 PolarHBondContact NE-OD2 3.28Å; R134-D139 IonicContact NH2-OD1 2.77Å; R134-D139 PolarHBondContact NH2-OD1 3.29Å; R134-D139 IonicContact NH2-OD2 3.19Å; D135-D139 PolarHBondContact O-N 2.99Å; D135-D139 VanDerWaalsContact O-N 3.11Å; L136-D139 PolarHBondContact O-N 2.91Å; E137-D139 VanDerWaalsContact C-N 3.35Å; E137-D139 PolarHBondContact O-N 2.76Å; D139-E141 VanDerWaalsContact C-N 3.34Å; D139-E141 PolarHBondContact O-N 3.27Å; D139-S142 PolarHBondContact O-N 3.02Å; D139-S142 VanDerWaalsContact O-N 3.09Å; D139-S142 PolarHBondContact O-OG 2.6Å; D139-D143 WeakPolarHBondContact O-CB 3.29Å; D139-D143 PolarHBondContact O-N 2.83Å |
| 140 | I | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.3 | -69.4 | -78.1 | 0 | 0 | 0 | 111.5 | M99 L109 L113 L136 E137 S142 D143 T144 L152 M153 L156 | M99-I140 HydrophobicContact CE-CD1 4.11Å; M99-I140 HydrophobicContact CE-CG1 4.24Å; M99-I140 HydrophobicContact SD-CB 4.47Å; M99-I140 HydrophobicContact SD-CD1 3.42Å; M99-I140 WeakPolarHBondContact SD-CD1 3.29Å; M99-I140 HydrophobicContact SD-CG1 3.75Å; L109-I140 HydrophobicContact CD1-CD1 3.9Å; L109-I140 HydrophobicContact CD2-CD1 3.81Å; L109-I140 HydrophobicContact CG-CD1 4.43Å; L113-I140 HydrophobicContact CD1-CD1 3.88Å; L136-I140 HydrophobicContact CD1-CG1 4.06Å; L136-I140 WeakPolarHBondContact O-CB 3.26Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.29Å; L136-I140 PolarHBondContact O-N 2.73Å; E137-I140 PolarHBondContact O-N 3.32Å; I140-S142 PolarHBondContact O-N 2.66Å; I140-D143 PolarHBondContact O-N 3.34Å; I140-T144 WeakPolarHBondContact O-CB 3.48Å; I140-T144 PolarHBondContact O-N 3Å; I140-T144 VanDerWaalsContact O-N 3.1Å; I140-T144 PolarHBondContact O-OG1 3.1Å; I140-L152 HydrophobicContact CG2-CB 3.91Å; I140-L152 HydrophobicContact CG2-CD1 4.26Å; I140-M153 HydrophobicContact CG2-SD 4.13Å; I140-L156 HydrophobicContact CB-CD1 4.04Å; I140-L156 HydrophobicContact CG1-CD1 4.01Å; I140-L156 HydrophobicContact CG2-CD1 3.99Å |
| 141 | E | 97.6 | Very high | 97.7 | Very high | 106 Ų | 106 | 57 Ų | 57 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -34.2 | 177.2 | -177.5 | 172.4 | -157 | 0 | 0 | 112 | E137 A138 D139 R149 M153 | E137-E141 VanDerWaalsContact O-CB 3.31Å; E137-E141 WeakPolarHBondContact O-CB 3.43Å; E137-E141 PolarHBondContact O-N 2.91Å; A138-E141 PolarHBondContact O-N 3.12Å; D139-E141 VanDerWaalsContact C-N 3.34Å; D139-E141 PolarHBondContact O-N 3.27Å; E141-R149 WeakPolarHBondContact O-CD 3.38Å; E141-M153 HydrophobicContact CB-SD 4.31Å |
| 142 | S | 97 | Very high | 97.7 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -83.6 | -32.8 | -178.4 | 78.5 | 0 | 0 | 0 | 0 | 114.2 | A138 D139 I140 | A138-S142 WeakPolarHBondContact O-CB 3.48Å; A138-S142 PolarHBondContact O-N 3.06Å; A138-S142 PolarHBondContact O-OG 2.77Å; D139-S142 PolarHBondContact O-N 3.02Å; D139-S142 VanDerWaalsContact O-N 3.09Å; D139-S142 PolarHBondContact O-OG 2.6Å; I140-S142 PolarHBondContact O-N 2.66Å |
| 143 | D | 97.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 54 Ų | 54 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -95.1 | -4.8 | -175.5 | -81.5 | -73.8 | 0 | 0 | 0 | 113.5 | M99 T104 D139 I140 | M99-D143 HydrophobicContact CB-CB 4.16Å; M99-D143 HydrophobicContact CG-CB 4.02Å; M99-D143 HydrophobicContact SD-CB 4.28Å; T104-D143 PolarHBondContact OG1-O 3.29Å; D139-D143 WeakPolarHBondContact O-CB 3.29Å; D139-D143 PolarHBondContact O-N 2.83Å; I140-D143 PolarHBondContact O-N 3.34Å |
| 144 | T | 96.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | trans | -128.1 | 166.3 | 177 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | L109 I140 R149 L152 | L109-T144 HydrophobicContact CD1-CG2 3.94Å; I140-T144 WeakPolarHBondContact O-CB 3.48Å; I140-T144 PolarHBondContact O-N 3Å; I140-T144 VanDerWaalsContact O-N 3.1Å; I140-T144 PolarHBondContact O-OG1 3.1Å; T144-R149 WeakPolarHBondContact OG1-CA 3.13Å; T144-R149 VanDerWaalsContact OG1-CB 3.25Å; T144-R149 WeakPolarHBondContact OG1-CB 3.41Å; T144-R149 WeakPolarHBondContact OG1-CG 3.06Å; T144-L152 HydrophobicContact CG2-CD1 4.04Å | ||
| 145 | S | 96.6 | Very high | 97.8 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 62% | 0.622 | 26% | 0.256 | S | S | * | . | trans | -147.4 | 169.8 | -179.1 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | R149 | S145-R149 PolarHBondContact O-N 2.72Š| ||
| 146 | G | 96.5 | Very high | 97.8 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | 55.9 | -143.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V148 R149 N150 | G146-V148 VanDerWaalsContact C-N 3.28Å; G146-V148 PolarHBondContact O-N 2.76Å; G146-R149 WeakPolarHBondContact O-CB 3.39Å; G146-R149 PolarHBondContact O-N 3.26Å; G146-N150 VanDerWaalsContact O-CG 3.31Å; G146-N150 PolarHBondContact O-N 3.47Å; G146-N150 VanDerWaalsContact O-N 3.11Å; G146-N150 PolarHBondContact O-ND2 3.09Å; G146-N150 PolarHBondContact O-OD1 3.38Å |
| 147 | D | 96.9 | Very high | 97.7 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.5 | -24.8 | -176.2 | -57.4 | -55.3 | 0 | 0 | 0 | 113.5 | N150 L151 E190 L232 | D147-N150 PolarHBondContact O-N 3.46Å; D147-L151 WeakPolarHBondContact O-CB 3.27Å; D147-L151 PolarHBondContact O-N 3.18Å; D147-E190 HydrophobicContact CB-CB 3.97Å; D147-E190 HydrophobicContact CB-CG 4.2Å; D147-L232 HydrophobicContact CB-CD1 4.08Å; D147-L232 HydrophobicContact CB-CD2 3.84Å |
| 148 | V | 97.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -50.5 | 171.2 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | G146 N150 L151 L152 T231 L232 | G146-V148 VanDerWaalsContact C-N 3.28Å; G146-V148 PolarHBondContact O-N 2.76Å; V148-N150 PolarHBondContact O-N 3.37Å; V148-L151 PolarHBondContact O-N 2.85Å; V148-L152 HydrophobicContact CG1-CD1 4.09Å; V148-L152 HydrophobicContact CG1-CG 4.41Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.34Å; V148-T231 HydrophobicContact CB-CG2 4.5Å; V148-T231 HydrophobicContact CG1-CG2 3.64Å; V148-T231 HydrophobicContact CG2-CG2 3.98Å; V148-L232 HydrophobicContact CG2-CB 4.03Å |
| 149 | R | 97.9 | Very high | 97.6 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.7 | -176 | 178.7 | 67.1 | 170.7 | 2.3 | 111.4 | E141 T144 S145 G146 L151 L152 M153 | E141-R149 WeakPolarHBondContact O-CD 3.38Å; T144-R149 WeakPolarHBondContact OG1-CA 3.13Å; T144-R149 VanDerWaalsContact OG1-CB 3.25Å; T144-R149 WeakPolarHBondContact OG1-CB 3.41Å; T144-R149 WeakPolarHBondContact OG1-CG 3.06Å; S145-R149 PolarHBondContact O-N 2.72Å; G146-R149 WeakPolarHBondContact O-CB 3.39Å; G146-R149 PolarHBondContact O-N 3.26Å; R149-L151 VanDerWaalsContact C-N 3.29Å; R149-L151 PolarHBondContact O-N 2.64Å; R149-L152 PolarHBondContact O-N 3.35Å; R149-M153 HydrophobicContact CG-CG 4.16Å; R149-M153 WeakPolarHBondContact O-CB 3.13Å; R149-M153 WeakPolarHBondContact O-CG 3.4Å; R149-M153 PolarHBondContact O-N 3.13Å |
| 150 | N | 97.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | -179 | -63 | -20.6 | 0 | 0 | 0 | 111.4 | G146 D147 V148 A154 | G146-N150 VanDerWaalsContact O-CG 3.31Å; G146-N150 PolarHBondContact O-N 3.47Å; G146-N150 VanDerWaalsContact O-N 3.11Å; G146-N150 PolarHBondContact O-ND2 3.09Å; G146-N150 PolarHBondContact O-OD1 3.38Å; D147-N150 PolarHBondContact O-N 3.46Å; V148-N150 PolarHBondContact O-N 3.37Å; N150-A154 WeakPolarHBondContact O-CB 3.33Å; N150-A154 PolarHBondContact O-N 2.69Å |
| 151 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -48 | 177.5 | 177 | 61.1 | 0 | 0 | 0 | 112.6 | D147 V148 R149 M153 A154 L155 A198 L232 C235 Y236 L239 | D147-L151 WeakPolarHBondContact O-CB 3.27Å; D147-L151 PolarHBondContact O-N 3.18Å; V148-L151 PolarHBondContact O-N 2.85Å; R149-L151 VanDerWaalsContact C-N 3.29Å; R149-L151 PolarHBondContact O-N 2.64Å; L151-M153 VanDerWaalsContact C-N 3.29Å; L151-M153 PolarHBondContact O-N 3.25Å; L151-A154 WeakPolarHBondContact O-CB 3.46Å; L151-A154 PolarHBondContact O-N 3.05Å; L151-A154 VanDerWaalsContact O-N 3.11Å; L151-L155 HydrophobicContact CD1-CG 4.41Å; L151-L155 HydrophobicContact CG-CD1 4.37Å; L151-L155 WeakPolarHBondContact O-CG 3.2Å; L151-L155 PolarHBondContact O-N 3.14Å; L151-A198 HydrophobicContact CD1-CB 4.21Å; L151-L232 HydrophobicContact CD2-CD1 4.03Å; L151-C235 HydrophobicContact CD2-CB 3.35Å; L151-Y236 HydrophobicContact CD1-CE1 4.35Å; L151-Y236 HydrophobicContact CD2-CD1 3.79Å; L151-Y236 HydrophobicContact CD2-CE1 3.58Å; L151-L239 HydrophobicContact CD1-CD1 4.1Å; L151-L239 HydrophobicContact CD2-CD1 4.26Å |
| 152 | L | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 180 | -66.5 | -176.7 | 0 | 0 | 0 | 111.4 | L109 L113 I140 T144 V148 R149 A154 L155 L156 | L109-L152 HydrophobicContact CB-CD1 4.42Å; L109-L152 HydrophobicContact CD1-CD1 4.29Å; L113-L152 HydrophobicContact CB-CD2 4.21Å; L113-L152 HydrophobicContact CD1-CB 4.43Å; L113-L152 HydrophobicContact CD1-CD1 4.42Å; L113-L152 HydrophobicContact CD1-CD2 4Å; I140-L152 HydrophobicContact CG2-CB 3.91Å; I140-L152 HydrophobicContact CG2-CD1 4.26Å; T144-L152 HydrophobicContact CG2-CD1 4.04Å; V148-L152 HydrophobicContact CG1-CD1 4.09Å; V148-L152 HydrophobicContact CG1-CG 4.41Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.34Å; R149-L152 PolarHBondContact O-N 3.35Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 2.92Å; L152-L155 HydrophobicContact CD2-CD1 4.26Å; L152-L155 PolarHBondContact O-N 3Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.97Å |
| 153 | M | 98.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 50 Ų | 50 | 20% | 0.197 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 173.7 | -67.7 | -58.5 | -63.9 | 0 | 0 | 112.5 | E137 I140 E141 R149 L151 L156 Q157 | E137-M153 HydrophobicContact CB-CE 3.93Å; E137-M153 HydrophobicContact CB-SD 4.45Å; E137-M153 HydrophobicContact CG-CE 4.21Å; I140-M153 HydrophobicContact CG2-SD 4.13Å; E141-M153 HydrophobicContact CB-SD 4.31Å; R149-M153 HydrophobicContact CG-CG 4.16Å; R149-M153 WeakPolarHBondContact O-CB 3.13Å; R149-M153 WeakPolarHBondContact O-CG 3.4Å; R149-M153 PolarHBondContact O-N 3.13Å; L151-M153 VanDerWaalsContact C-N 3.29Å; L151-M153 PolarHBondContact O-N 3.25Å; M153-L156 PolarHBondContact O-N 3.43Å; M153-L156 HydrophobicContact SD-CD1 4.14Å; M153-Q157 WeakPolarHBondContact O-CG 3.46Å; M153-Q157 PolarHBondContact O-N 2.96Å; M153-Q157 PolarHBondContact O-NE2 3.06Å; M153-Q157 VanDerWaalsContact O-NE2 3.11Å |
| 154 | A | 98.1 | Very high | 97.2 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 35% | 0.347 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | N150 L151 L152 Q157 A198 | N150-A154 WeakPolarHBondContact O-CB 3.33Å; N150-A154 PolarHBondContact O-N 2.69Å; L151-A154 WeakPolarHBondContact O-CB 3.46Å; L151-A154 PolarHBondContact O-N 3.05Å; L151-A154 VanDerWaalsContact O-N 3.11Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 2.92Å; A154-Q157 WeakPolarHBondContact O-CB 3.49Å; A154-Q157 PolarHBondContact O-N 3.3Å; A154-A198 HydrophobicContact CB-CB 4.32Å |
| 155 | L | 98.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.5 | -67.3 | 172.1 | 0 | 0 | 0 | 111.6 | L151 L152 Q157 G158 A198 L239 | L151-L155 HydrophobicContact CD1-CG 4.41Å; L151-L155 HydrophobicContact CG-CD1 4.37Å; L151-L155 WeakPolarHBondContact O-CG 3.2Å; L151-L155 PolarHBondContact O-N 3.14Å; L152-L155 HydrophobicContact CD2-CD1 4.26Å; L152-L155 PolarHBondContact O-N 3Å; L155-Q157 PolarHBondContact O-N 3.43Å; L155-Q157 VanDerWaalsContact O-N 3.15Å; L155-G158 PolarHBondContact O-N 3.01Å; L155-A198 HydrophobicContact CD2-CB 3.87Å; L155-A198 HydrophobicContact CG-CB 4.46Å; L155-L239 HydrophobicContact CD1-CD2 4.42Å; L155-L239 HydrophobicContact CD2-CD2 3.96Å |
| 156 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -17.2 | 176 | -75.6 | 168.3 | 0 | 0 | 0 | 112.8 | L113 I121 K125 L136 E137 I140 L152 M153 G158 | L113-L156 HydrophobicContact CD2-CD2 3.99Å; I121-L156 HydrophobicContact CD1-CD2 4.28Å; I121-L156 HydrophobicContact CG2-CD2 4.45Å; I121-L156 WeakPolarHBondContact CG2-O 3.06Å; K125-L156 WeakPolarHBondContact CE-O 3.48Å; K125-L156 PolarHBondContact NZ-O 3.41Å; L136-L156 HydrophobicContact CD2-CD2 3.86Å; L136-L156 HydrophobicContact CG-CD2 4.21Å; E137-L156 HydrophobicContact CG-CB 4.28Å; E137-L156 HydrophobicContact CG-CD1 4.12Å; I140-L156 HydrophobicContact CB-CD1 4.04Å; I140-L156 HydrophobicContact CG1-CD1 4.01Å; I140-L156 HydrophobicContact CG2-CD1 3.99Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.97Å; M153-L156 PolarHBondContact O-N 3.43Å; M153-L156 HydrophobicContact SD-CD1 4.14Å; L156-G158 PolarHBondContact O-N 3.27Å |
| 157 | Q | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 60.8 Ų | 60.8 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.8 | 171 | -60.4 | -48.7 | -62.4 | 0 | 0 | 112.7 | E137 M153 A154 L155 N159 | E137-Q157 PolarHBondContact OE1-NE2 2.98Å; M153-Q157 WeakPolarHBondContact O-CG 3.46Å; M153-Q157 PolarHBondContact O-N 2.96Å; M153-Q157 PolarHBondContact O-NE2 3.06Å; M153-Q157 VanDerWaalsContact O-NE2 3.11Å; A154-Q157 WeakPolarHBondContact O-CB 3.49Å; A154-Q157 PolarHBondContact O-N 3.3Å; L155-Q157 PolarHBondContact O-N 3.43Å; L155-Q157 VanDerWaalsContact O-N 3.15Å; Q157-N159 VanDerWaalsContact C-N 3.27Å; Q157-N159 PolarHBondContact O-N 3.39Å; Q157-N159 PolarHBondContact O-ND2 3.22Å; Q157-N159 PolarHBondContact O-OD1 3.38Å |
| 158 | G | 97.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | trans | 59.8 | 38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N118 L155 L156 | N118-G158 VanDerWaalsContact CB-O 3.24Å; N118-G158 WeakPolarHBondContact CB-O 3.36Å; N118-G158 PolarHBondContact ND2-O 3.46Å; N118-G158 PolarHBondContact OD1-O 3.47Å; L155-G158 PolarHBondContact O-N 3.01Å; L156-G158 PolarHBondContact O-N 3.27Å | ||
| 159 | N | 96.6 | Very high | 97.4 | Very high | 126 Ų | 126 | 68.1 Ų | 68.1 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | trans | -120.2 | 28.9 | -175 | -69.2 | -36.9 | 0 | 0 | 0 | 112.2 | N118 Q157 | N118-N159 PolarHBondContact OD1-N 2.95Å; Q157-N159 VanDerWaalsContact C-N 3.27Å; Q157-N159 PolarHBondContact O-N 3.39Å; Q157-N159 PolarHBondContact O-ND2 3.22Å; Q157-N159 PolarHBondContact O-OD1 3.38Å | ||
| 160 | R | 97.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 66.3 Ų | 66.3 | 11% | 0.109 | 34% | 0.343 | C | S | . | . | trans | -64.1 | 139.8 | 171.9 | -177.1 | 179.7 | -65.5 | -81.7 | -3.1 | 108.8 | N118 E162 L197 A198 R200 | N118-R160 PolarHBondContact ND2-O 3.17Å; N118-R160 PolarHBondContact OD1-N 3.3Å; R160-E162 PolarHBondContact O-N 3.38Å; R160-L197 VanDerWaalsContact CZ-O 3.26Å; R160-L197 PolarHBondContact NH1-O 3.33Å; R160-L197 PolarHBondContact NH2-O 3.4Å; R160-A198 PolarHBondContact NH2-O 3.43Å; R160-R200 WeakPolarHBondContact CG-O 3.33Å; R160-R200 PolarHBondContact NH1-O 3.4Å | ||
| 161 | D | 97.7 | Very high | 97.5 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | trans | -58.1 | 122.1 | 169.9 | 174.5 | 20.4 | 0 | 0 | 0 | 110.5 | T163 S199 N201 | D161-T163 VanDerWaalsContact CG-OG1 3.24Å; D161-T163 VanDerWaalsContact OD1-CB 3.3Å; D161-T163 WeakPolarHBondContact OD1-CB 3.34Å; D161-T163 VanDerWaalsContact OD1-CG2 3.25Å; D161-T163 WeakPolarHBondContact OD1-CG2 3.5Å; D161-T163 PolarHBondContact OD1-N 2.75Å; D161-T163 PolarHBondContact OD1-OG1 3.1Å; D161-T163 PolarHBondContact OD2-OG1 2.93Å; D161-S199 PolarHBondContact N-O 2.92Å; D161-N201 HydrophobicContact CB-CB 4.06Å; D161-N201 WeakPolarHBondContact O-CA 3.19Å; D161-N201 WeakPolarHBondContact O-CB 3.39Å; D161-N201 PolarHBondContact OD2-ND2 2.74Å | ||
| 162 | E | 94.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | trans | -99.4 | 2.6 | -179.6 | -60.8 | -170.1 | 141.4 | 0 | 0 | 112.8 | N118 R160 | N118-E162 WeakPolarHBondContact CB-OE1 3.41Å; N118-E162 VanDerWaalsContact ND2-CG 3.34Å; N118-E162 WeakPolarHBondContact ND2-CG 3.43Å; N118-E162 PolarHBondContact ND2-OE1 2.91Å; R160-E162 PolarHBondContact O-N 3.38Å | ||
| 163 | T | 95.2 | Very high | 97.5 | Very high | 60 Ų | 60 | 73 Ų | 73 | 37% | 0.368 | 37% | 0.371 | S | S | . | . | trans | -69.1 | 164.7 | 172.5 | 70.9 | 0 | 0 | 0 | 0 | 110.8 | D161 N201 | D161-T163 VanDerWaalsContact CG-OG1 3.24Å; D161-T163 VanDerWaalsContact OD1-CB 3.3Å; D161-T163 WeakPolarHBondContact OD1-CB 3.34Å; D161-T163 VanDerWaalsContact OD1-CG2 3.25Å; D161-T163 WeakPolarHBondContact OD1-CG2 3.5Å; D161-T163 PolarHBondContact OD1-N 2.75Å; D161-T163 PolarHBondContact OD1-OG1 3.1Å; D161-T163 PolarHBondContact OD2-OG1 2.93Å; T163-N201 VanDerWaalsContact O-CB 3.25Å; T163-N201 WeakPolarHBondContact O-CB 3.32Å; T163-N201 VanDerWaalsContact O-CG 3.31Å | ||
| 164 | Y | 94.4 | Very high | 97.5 | Very high | 155 Ų | 155 | 71.6 Ų | 71.6 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | trans | -106.2 | 14.8 | 172.5 | -60.1 | -77.8 | 0 | 0 | 0 | 111.3 | M1 L203 | M1-Y164 HydrophobicContact CE-CE1 4.28Å; Y164-L203 HydrophobicContact CD1-CD1 4.15Å; Y164-L203 WeakPolarHBondContact O-CD1 3.48Å | ||
| 165 | D | 96.5 | Very high | 97.5 | Very high | 118 Ų | 118 | 69.6 Ų | 69.6 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | trans | -81.5 | 143.3 | -176.5 | -64 | -34 | 0 | 0 | 0 | 109.7 | N201 | D165-N201 PolarHBondContact O-ND2 2.9Š| ||
| 166 | V | 98.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | trans | -118.4 | 120.2 | 175 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | L203 A207 | V166-L203 HydrophobicContact CG2-CB 3.68Å; V166-A207 HydrophobicContact CG1-CB 3.7Å | ||
| 167 | D | 98.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | trans | -99.6 | 106.1 | 170.1 | -176.5 | -28.1 | 0 | 0 | 0 | 107.8 | D169 L170 A171 Q204 | D167-D169 VanDerWaalsContact C-N 3.34Å; D167-D169 PolarHBondContact OD1-N 2.75Å; D167-L170 HydrophobicContact CB-CB 3.82Å; D167-L170 PolarHBondContact O-N 3.39Å; D167-L170 PolarHBondContact OD1-N 3.38Å; D167-A171 WeakPolarHBondContact O-CB 3.49Å; D167-A171 PolarHBondContact O-N 3.24Å; D167-Q204 PolarHBondContact O-NE2 3.36Å; D167-Q204 PolarHBondContact O-OE1 3.48Å | ||
| 168 | E | 98.2 | Very high | 97.4 | Very high | 121 Ų | 121 | 68.3 Ų | 68.3 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.1 | -36 | -177.3 | -64.4 | -72.6 | 174 | 0 | 0 | 112 | A171 E172 | E168-A171 WeakPolarHBondContact O-CB 3.4Å; E168-A171 PolarHBondContact O-N 3.05Å; E168-E172 PolarHBondContact O-N 3.17Å |
| 169 | D | 98.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 70.9 Ų | 70.9 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 178.1 | -69.7 | -22 | 0 | 0 | 0 | 109.9 | D167 A171 E172 Q173 | D167-D169 VanDerWaalsContact C-N 3.34Å; D167-D169 PolarHBondContact OD1-N 2.75Å; D169-A171 VanDerWaalsContact C-N 3.33Å; D169-E172 PolarHBondContact O-N 2.73Å; D169-Q173 WeakPolarHBondContact O-CB 3.25Å; D169-Q173 VanDerWaalsContact O-CG 3.23Å; D169-Q173 WeakPolarHBondContact O-CG 3.3Å; D169-Q173 PolarHBondContact O-N 2.98Å; D169-Q173 PolarHBondContact O-NE2 3.31Å |
| 170 | L | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 70.1 Ų | 70.1 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 172.9 | -177 | 60.9 | 0 | 0 | 0 | 111.6 | D167 E172 Q173 D174 | D167-L170 HydrophobicContact CB-CB 3.82Å; D167-L170 PolarHBondContact O-N 3.39Å; D167-L170 PolarHBondContact OD1-N 3.38Å; L170-E172 VanDerWaalsContact C-N 3.34Å; L170-Q173 PolarHBondContact O-N 3.03Å; L170-D174 WeakPolarHBondContact O-CB 3.09Å; L170-D174 PolarHBondContact O-N 2.86Å |
| 171 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | D167 E168 D169 A175 Q204 A207 I211 | D167-A171 WeakPolarHBondContact O-CB 3.49Å; D167-A171 PolarHBondContact O-N 3.24Å; E168-A171 WeakPolarHBondContact O-CB 3.4Å; E168-A171 PolarHBondContact O-N 3.05Å; D169-A171 VanDerWaalsContact C-N 3.33Å; A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 3.14Å; A171-Q204 VanDerWaalsContact CA-NE2 3.32Å; A171-A207 HydrophobicContact CB-CB 3.97Å; A171-I211 HydrophobicContact CB-CD1 3.7Å |
| 172 | E | 98.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 174.5 | -172.8 | 174.2 | -174.3 | 0 | 0 | 112.2 | E168 D169 L170 A175 T176 I211 | E168-E172 PolarHBondContact O-N 3.17Å; D169-E172 PolarHBondContact O-N 2.73Å; L170-E172 VanDerWaalsContact C-N 3.34Å; E172-A175 PolarHBondContact O-N 3.39Å; E172-T176 WeakPolarHBondContact O-CB 3.5Å; E172-T176 PolarHBondContact O-N 3.05Å; E172-T176 PolarHBondContact O-OG1 3.03Å; E172-I211 HydrophobicContact CB-CD1 4.26Å; E172-I211 HydrophobicContact CG-CG2 4.45Å |
| 173 | Q | 98.4 | Very high | 96.1 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.3 | -50.5 | 174.9 | -74.3 | 168.2 | 45.6 | 0 | 0 | 112 | D169 L170 A175 T176 A177 | D169-Q173 WeakPolarHBondContact O-CB 3.25Å; D169-Q173 VanDerWaalsContact O-CG 3.23Å; D169-Q173 WeakPolarHBondContact O-CG 3.3Å; D169-Q173 PolarHBondContact O-N 2.98Å; D169-Q173 PolarHBondContact O-NE2 3.31Å; L170-Q173 PolarHBondContact O-N 3.03Å; Q173-A175 VanDerWaalsContact C-N 3.33Å; Q173-A175 PolarHBondContact O-N 3Å; Q173-T176 PolarHBondContact O-N 3.41Å; Q173-A177 WeakPolarHBondContact O-CB 3.28Å; Q173-A177 PolarHBondContact O-N 3.24Å |
| 174 | D | 98.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 179.3 | -74.8 | -22.2 | 0 | 0 | 0 | 110.9 | L170 A177 L178 V196 R200 T208 | L170-D174 WeakPolarHBondContact O-CB 3.09Å; L170-D174 PolarHBondContact O-N 2.86Å; D174-A177 PolarHBondContact O-N 2.89Å; D174-L178 WeakPolarHBondContact O-CB 3.34Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 2.79Å; D174-V196 HydrophobicContact CB-CG1 4.17Å; D174-V196 HydrophobicContact CB-CG2 4.27Å; D174-R200 IonicContact OD1-CZ 3.27Å; D174-R200 IonicContact OD1-NE 2.74Å; D174-R200 IonicContact OD1-NH2 2.72Å; D174-R200 PolarHBondContact OD1-NH2 3.01Å; D174-R200 IonicContact OD2-CZ 2.78Å; D174-R200 IonicContact OD2-NE 3.1Å; D174-R200 PolarHBondContact OD2-NE 2.97Å; D174-R200 IonicContact OD2-NH2 3.33Å; D174-R200 PolarHBondContact OD2-NH2 3.02Å; D174-T208 HydrophobicContact CB-CG2 3.77Å |
| 175 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A171 E172 Q173 L178 F179 T208 I211 L215 | A171-A175 WeakPolarHBondContact O-CB 3.39Å; A171-A175 PolarHBondContact O-N 3.14Å; E172-A175 PolarHBondContact O-N 3.39Å; Q173-A175 VanDerWaalsContact C-N 3.33Å; Q173-A175 PolarHBondContact O-N 3Å; A175-L178 PolarHBondContact O-N 3.3Å; A175-F179 PolarHBondContact O-N 2.58Å; A175-T208 HydrophobicContact CB-CG2 4.13Å; A175-T208 WeakPolarHBondContact CB-O 3.45Å; A175-I211 HydrophobicContact CB-CB 3.87Å; A175-I211 HydrophobicContact CB-CG2 3.71Å; A175-L215 HydrophobicContact CB-CD1 4.09Å |
| 176 | T | 97.5 | Very high | 93.6 | Very high | 47 Ų | 47 | 65.1 Ų | 65.1 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 175 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | E172 Q173 L178 F179 E180 | E172-T176 WeakPolarHBondContact O-CB 3.5Å; E172-T176 PolarHBondContact O-N 3.05Å; E172-T176 PolarHBondContact O-OG1 3.03Å; Q173-T176 PolarHBondContact O-N 3.41Å; T176-L178 PolarHBondContact O-N 2.91Å; T176-F179 PolarHBondContact O-N 2.78Å; T176-E180 HydrophobicContact CG2-CG 4.41Å; T176-E180 WeakPolarHBondContact O-CG 3.42Å; T176-E180 PolarHBondContact O-N 3.23Å |
| 177 | A | 97.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 64 Ų | 64 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q173 D174 F179 E180 A181 T192 | Q173-A177 WeakPolarHBondContact O-CB 3.28Å; Q173-A177 PolarHBondContact O-N 3.24Å; D174-A177 PolarHBondContact O-N 2.89Å; A177-F179 VanDerWaalsContact C-N 3.35Å; A177-F179 PolarHBondContact O-N 2.85Å; A177-E180 PolarHBondContact O-N 3.15Å; A177-A181 WeakPolarHBondContact O-CB 3.25Å; A177-A181 PolarHBondContact O-N 3.33Å; A177-T192 HydrophobicContact CB-CG2 4.07Å |
| 178 | L | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.6 | -71.6 | 172.5 | 0 | 0 | 0 | 112.1 | D174 A175 T176 A181 G182 F193 V196 T208 Y212 I220 | D174-L178 WeakPolarHBondContact O-CB 3.34Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 2.79Å; A175-L178 PolarHBondContact O-N 3.3Å; T176-L178 PolarHBondContact O-N 2.91Å; L178-A181 PolarHBondContact O-N 3.16Å; L178-G182 PolarHBondContact O-N 2.9Å; L178-F193 HydrophobicContact CB-CZ 4.38Å; L178-F193 HydrophobicContact CD2-CB 4.33Å; L178-F193 HydrophobicContact CD2-CD1 3.77Å; L178-F193 HydrophobicContact CD2-CD2 3.83Å; L178-F193 HydrophobicContact CD2-CE1 3.95Å; L178-F193 HydrophobicContact CD2-CE2 3.99Å; L178-F193 HydrophobicContact CD2-CG 3.71Å; L178-F193 HydrophobicContact CD2-CZ 4.05Å; L178-F193 WeakPolarHBondContact O-CE2 3.15Å; L178-V196 HydrophobicContact CD1-CG1 4.13Å; L178-V196 HydrophobicContact CD2-CB 4.29Å; L178-V196 HydrophobicContact CD2-CG2 4.39Å; L178-T208 HydrophobicContact CD1-CG2 3.85Å; L178-Y212 HydrophobicContact CB-CD2 3.87Å; L178-Y212 HydrophobicContact CB-CE2 3.93Å; L178-I220 HydrophobicContact CD1-CD1 4.44Å |
| 179 | F | 95.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -50.9 | 176.1 | 175 | -104.6 | 0 | 0 | 0 | 111.1 | A175 T176 A177 A181 G182 E183 G184 Y212 S216 | A175-F179 PolarHBondContact O-N 2.58Å; T176-F179 PolarHBondContact O-N 2.78Å; A177-F179 VanDerWaalsContact C-N 3.35Å; A177-F179 PolarHBondContact O-N 2.85Å; F179-A181 PolarHBondContact O-N 3.37Å; F179-G182 CarbonylContact O-C 3.56Å; F179-G182 PolarHBondContact O-N 3.45Å; F179-G182 VanDerWaalsContact O-N 3.12Å; F179-E183 HydrophobicContact CD2-CB 4.1Å; F179-E183 HydrophobicContact CE2-CB 3.89Å; F179-E183 PolarHBondContact O-N 3.4Å; F179-G184 WeakPolarHBondContact O-CA 3.46Å; F179-G184 PolarHBondContact O-N 3.34Å; F179-Y212 HydrophobicContact CB-CD2 4.35Å; F179-Y212 HydrophobicContact CB-CE2 4.02Å; F179-S216 VanDerWaalsContact CD2-CB 3.47Å |
| 180 | E | 94.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 54.2 Ų | 54.2 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -29.3 | 177.7 | -70.1 | -176.8 | 170.1 | 0 | 0 | 113 | T176 A177 R185 | T176-E180 HydrophobicContact CG2-CG 4.41Å; T176-E180 WeakPolarHBondContact O-CG 3.42Å; T176-E180 PolarHBondContact O-N 3.23Å; A177-E180 PolarHBondContact O-N 3.15Å; E180-R185 PolarHBondContact O-NE 3.47Å; E180-R185 PolarHBondContact O-NH2 3.28Å |
| 181 | A | 91.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.5 | -20.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A177 L178 F179 T188 D189 T192 F193 | A177-A181 WeakPolarHBondContact O-CB 3.25Å; A177-A181 PolarHBondContact O-N 3.33Å; L178-A181 PolarHBondContact O-N 3.16Å; F179-A181 PolarHBondContact O-N 3.37Å; A181-T188 CarbonylContact O-C 3.45Å; A181-T188 VanDerWaalsContact O-CA 3.28Å; A181-T188 WeakPolarHBondContact O-CA 3.24Å; A181-D189 HydrophobicContact CB-CB 3.82Å; A181-D189 PolarHBondContact O-N 3.01Å; A181-T192 HydrophobicContact CB-CG2 3.92Å; A181-F193 HydrophobicContact CB-CD2 4.14Å; A181-F193 HydrophobicContact CB-CE2 3.95Å |
| 182 | G | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -105.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L178 F179 G184 R185 | L178-G182 PolarHBondContact O-N 2.9Å; F179-G182 CarbonylContact O-C 3.56Å; F179-G182 PolarHBondContact O-N 3.45Å; F179-G182 VanDerWaalsContact O-N 3.12Å; G182-G184 PolarHBondContact O-N 2.66Å; G182-R185 WeakPolarHBondContact O-CG 3.17Å; G182-R185 PolarHBondContact O-N 2.94Å |
| 183 | E | 86.6 | Confident | 90.7 | Very high | 63 Ų | 63 | 52.5 Ų | 52.5 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -22.2 | -174.5 | -64.9 | -177.5 | 111.7 | 0 | 0 | 114.8 | F179 R185 Y212 S216 T218 A223 | F179-E183 HydrophobicContact CD2-CB 4.1Å; F179-E183 HydrophobicContact CE2-CB 3.89Å; F179-E183 PolarHBondContact O-N 3.4Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3Å; E183-Y212 PolarHBondContact OE2-OH 3.27Å; E183-Y212 VanDerWaalsContact OE2-OH 3.06Å; E183-S216 VanDerWaalsContact OE2-CB 3.23Å; E183-S216 WeakPolarHBondContact OE2-CB 3.33Å; E183-S216 PolarHBondContact OE2-OG 3.41Å; E183-T218 WeakPolarHBondContact OE1-CB 3.39Å; E183-T218 PolarHBondContact OE1-OG1 3.35Å; E183-T218 WeakPolarHBondContact OE2-CB 3.18Å; E183-A223 HydrophobicContact CG-CB 4.41Å |
| 184 | G | 75.3 | Confident | 90.7 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -5.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | F179 G182 | F179-G184 WeakPolarHBondContact O-CA 3.46Å; F179-G184 PolarHBondContact O-N 3.34Å; G182-G184 PolarHBondContact O-N 2.66Å |
| 185 | R | 84.2 | Confident | 90.6 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -139.6 | 176.2 | -179.9 | 69.3 | 175.1 | 58.7 | 175.7 | 6.2 | 112.4 | E180 G182 E183 G187 D189 | E180-R185 PolarHBondContact O-NE 3.47Å; E180-R185 PolarHBondContact O-NH2 3.28Å; G182-R185 WeakPolarHBondContact O-CG 3.17Å; G182-R185 PolarHBondContact O-N 2.94Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3Å; R185-G187 VanDerWaalsContact CG-O 3.26Å; R185-G187 WeakPolarHBondContact CG-O 3.34Å; R185-D189 IonicContact NH1-OD2 3.77Å; R185-D189 PolarHBondContact NH1-OD2 3.49Å |
| 186 | F | 73.1 | Confident | 90.6 | Very high | 215 Ų | 215 | 53.4 Ų | 53.4 | 94% | 0.943 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -89.6 | 117.8 | 168.9 | -177.1 | -97.2 | 0 | 0 | 0 | 109.5 | ||
| 187 | G | 76.9 | Confident | 90.6 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 84.3 | -174.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | R185 | R185-G187 VanDerWaalsContact CG-O 3.26Å; R185-G187 WeakPolarHBondContact CG-O 3.34Å |
| 188 | T | 83.3 | Confident | 90.6 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | trans | -118.4 | 149.6 | -177 | -41.4 | 0 | 0 | 0 | 0 | 110.8 | A181 F193 E227 T228 | A181-T188 CarbonylContact O-C 3.45Å; A181-T188 VanDerWaalsContact O-CA 3.28Å; A181-T188 WeakPolarHBondContact O-CA 3.24Å; T188-F193 HydrophobicContact CG2-CD2 3.95Å; T188-F193 HydrophobicContact CG2-CE2 3.93Å; T188-E227 WeakPolarHBondContact OG1-CB 3.43Å; T188-E227 PolarHBondContact OG1-O 3.28Å; T188-E227 PolarHBondContact OG1-OE2 2.66Å; T188-T228 HydrophobicContact CG2-CG2 4.44Å | ||
| 189 | D | 90.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.203 | 27% | 0.268 | C | S | . | . | trans | -98.4 | 89.2 | 164.2 | -177.1 | -25 | 0 | 0 | 0 | 108.7 | A181 R185 S191 T192 F193 | A181-D189 HydrophobicContact CB-CB 3.82Å; A181-D189 PolarHBondContact O-N 3.01Å; R185-D189 IonicContact NH1-OD2 3.77Å; R185-D189 PolarHBondContact NH1-OD2 3.49Å; D189-S191 PolarHBondContact O-N 3.23Å; D189-S191 WeakPolarHBondContact OD1-CB 3.24Å; D189-S191 PolarHBondContact OD1-N 3.06Å; D189-S191 PolarHBondContact OD1-OG 3.18Å; D189-T192 PolarHBondContact O-N 3.25Å; D189-T192 PolarHBondContact OD1-N 3.05Å; D189-T192 PolarHBondContact OD1-OG1 3.27Å; D189-T192 PolarHBondContact OD2-OG1 2.72Å; D189-F193 PolarHBondContact O-N 3.01Å | ||
| 190 | E | 92 | Very high | 90.8 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -27 | -176.2 | -63.1 | 80.2 | -176.6 | 0 | 0 | 111.9 | D147 F193 S194 L232 Y236 | D147-E190 HydrophobicContact CB-CB 3.97Å; D147-E190 HydrophobicContact CB-CG 4.2Å; E190-F193 PolarHBondContact O-N 3.45Å; E190-S194 VanDerWaalsContact O-CB 3.25Å; E190-S194 WeakPolarHBondContact O-CB 3.41Å; E190-S194 PolarHBondContact O-N 3.32Å; E190-S194 PolarHBondContact O-OG 3.47Å; E190-L232 HydrophobicContact CB-CD2 4.13Å; E190-L232 HydrophobicContact CG-CD2 3.5Å; E190-L232 VanDerWaalsContact CG-CD2 3.5Å; E190-Y236 PolarHBondContact O-OH 3.35Å |
| 191 | S | 93.6 | Very high | 90.9 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 56% | 0.559 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.8 | -39.6 | 179.8 | 78.4 | 0 | 0 | 0 | 0 | 112 | D189 Y195 | D189-S191 PolarHBondContact O-N 3.23Å; D189-S191 WeakPolarHBondContact OD1-CB 3.24Å; D189-S191 PolarHBondContact OD1-N 3.06Å; D189-S191 PolarHBondContact OD1-OG 3.18Å; S191-Y195 WeakPolarHBondContact O-CB 3.24Å; S191-Y195 PolarHBondContact O-N 2.92Å |
| 192 | T | 95.8 | Very high | 91.2 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -48.2 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | A177 A181 D189 S194 Y195 V196 | A177-T192 HydrophobicContact CB-CG2 4.07Å; A181-T192 HydrophobicContact CB-CG2 3.92Å; D189-T192 PolarHBondContact O-N 3.25Å; D189-T192 PolarHBondContact OD1-N 3.05Å; D189-T192 PolarHBondContact OD1-OG1 3.27Å; D189-T192 PolarHBondContact OD2-OG1 2.72Å; T192-S194 PolarHBondContact O-N 2.83Å; T192-Y195 PolarHBondContact O-N 2.96Å; T192-V196 WeakPolarHBondContact O-CG2 3.25Å; T192-V196 PolarHBondContact O-N 3.1Å; T192-V196 VanDerWaalsContact O-N 3.08Å |
| 193 | F | 96.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.6 | -87.5 | -102.4 | 0 | 0 | 0 | 111.8 | L178 A181 T188 D189 E190 Y195 V196 L197 I220 I224 Y236 | L178-F193 HydrophobicContact CB-CZ 4.38Å; L178-F193 HydrophobicContact CD2-CB 4.33Å; L178-F193 HydrophobicContact CD2-CD1 3.77Å; L178-F193 HydrophobicContact CD2-CD2 3.83Å; L178-F193 HydrophobicContact CD2-CE1 3.95Å; L178-F193 HydrophobicContact CD2-CE2 3.99Å; L178-F193 HydrophobicContact CD2-CG 3.71Å; L178-F193 HydrophobicContact CD2-CZ 4.05Å; L178-F193 WeakPolarHBondContact O-CE2 3.15Å; A181-F193 HydrophobicContact CB-CD2 4.14Å; A181-F193 HydrophobicContact CB-CE2 3.95Å; T188-F193 HydrophobicContact CG2-CD2 3.95Å; T188-F193 HydrophobicContact CG2-CE2 3.93Å; D189-F193 PolarHBondContact O-N 3.01Å; E190-F193 PolarHBondContact O-N 3.45Å; F193-Y195 PolarHBondContact O-N 2.94Å; F193-V196 PolarHBondContact O-N 2.93Å; F193-L197 HydrophobicContact CD1-CD1 4.32Å; F193-L197 VanDerWaalsContact O-CB 3.25Å; F193-L197 WeakPolarHBondContact O-CB 3.45Å; F193-L197 VanDerWaalsContact O-CG 3.27Å; F193-L197 WeakPolarHBondContact O-CG 3.45Å; F193-L197 PolarHBondContact O-N 2.9Å; F193-I220 HydrophobicContact CE1-CD1 3.95Å; F193-I220 HydrophobicContact CZ-CD1 4.48Å; F193-I224 HydrophobicContact CD1-CG1 4.44Å; F193-I224 HydrophobicContact CE1-CG1 4.04Å; F193-Y236 HydrophobicContact CB-CD2 4.46Å; F193-Y236 HydrophobicContact CB-CE1 4.13Å; F193-Y236 HydrophobicContact CB-CE2 3.73Å; F193-Y236 HydrophobicContact CD1-CD2 4.38Å; F193-Y236 HydrophobicContact CD1-CE2 4.34Å; F193-Y236 HydrophobicContact CG-CE2 4.25Å |
| 194 | S | 97.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 179.5 | -70.9 | 0 | 0 | 0 | 0 | 112 | E190 T192 A198 Y236 | E190-S194 VanDerWaalsContact O-CB 3.25Å; E190-S194 WeakPolarHBondContact O-CB 3.41Å; E190-S194 PolarHBondContact O-N 3.32Å; E190-S194 PolarHBondContact O-OG 3.47Å; T192-S194 PolarHBondContact O-N 2.83Å; S194-A198 WeakPolarHBondContact O-CB 3.33Å; S194-A198 PolarHBondContact O-N 2.89Å; S194-Y236 PolarHBondContact N-OH 2.87Å; S194-Y236 PolarHBondContact OG-OH 3.33Å |
| 195 | Y | 97.3 | Very high | 93.2 | Very high | 140 Ų | 140 | 44.4 Ų | 44.4 | 55% | 0.549 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -50.6 | -179.9 | 172.4 | -105.8 | 0 | 0 | 0 | 112.2 | S191 T192 F193 S199 R200 | S191-Y195 WeakPolarHBondContact O-CB 3.24Å; S191-Y195 PolarHBondContact O-N 2.92Å; T192-Y195 PolarHBondContact O-N 2.96Å; F193-Y195 PolarHBondContact O-N 2.94Å; Y195-S199 VanDerWaalsContact O-CB 3.26Å; Y195-S199 WeakPolarHBondContact O-CB 3.26Å; Y195-S199 PolarHBondContact O-N 3.49Å; Y195-S199 VanDerWaalsContact O-N 3.09Å; Y195-S199 PolarHBondContact O-OG 2.95Å; Y195-R200 VanDerWaalsContact CZ-NH1 3.32Å; Y195-R200 PolarHBondContact OH-NH1 3.03Å |
| 196 | V | 98.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -52 | -179.5 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | D174 L178 T192 F193 A198 S199 R200 L205 | D174-V196 HydrophobicContact CB-CG1 4.17Å; D174-V196 HydrophobicContact CB-CG2 4.27Å; L178-V196 HydrophobicContact CD1-CG1 4.13Å; L178-V196 HydrophobicContact CD2-CB 4.29Å; L178-V196 HydrophobicContact CD2-CG2 4.39Å; T192-V196 WeakPolarHBondContact O-CG2 3.25Å; T192-V196 PolarHBondContact O-N 3.1Å; T192-V196 VanDerWaalsContact O-N 3.08Å; F193-V196 PolarHBondContact O-N 2.93Å; V196-A198 PolarHBondContact O-N 3.41Å; V196-S199 PolarHBondContact O-N 3.3Å; V196-R200 HydrophobicContact CG1-CG 4.2Å; V196-R200 WeakPolarHBondContact O-CG 3.48Å; V196-R200 PolarHBondContact O-N 3.11Å; V196-L205 HydrophobicContact CG1-CD2 3.93Å |
| 197 | L | 98 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -30.6 | -175.3 | -66.3 | 175.6 | 0 | 0 | 0 | 113.3 | R160 F193 L205 F209 Y236 L239 V240 | R160-L197 VanDerWaalsContact CZ-O 3.26Å; R160-L197 PolarHBondContact NH1-O 3.33Å; R160-L197 PolarHBondContact NH2-O 3.4Å; F193-L197 HydrophobicContact CD1-CD1 4.32Å; F193-L197 VanDerWaalsContact O-CB 3.25Å; F193-L197 WeakPolarHBondContact O-CB 3.45Å; F193-L197 VanDerWaalsContact O-CG 3.27Å; F193-L197 WeakPolarHBondContact O-CG 3.45Å; F193-L197 PolarHBondContact O-N 2.9Å; L197-L205 HydrophobicContact CD2-CD2 4.22Å; L197-F209 HydrophobicContact CD2-CE1 3.77Å; L197-F209 HydrophobicContact CD2-CZ 3.58Å; L197-Y236 HydrophobicContact CD1-CD1 3.45Å; L197-Y236 VanDerWaalsContact CD1-CD1 3.45Å; L197-Y236 HydrophobicContact CD1-CE1 4.06Å; L197-Y236 HydrophobicContact CD1-CG 3.77Å; L197-L239 HydrophobicContact CB-CB 4.34Å; L197-L239 HydrophobicContact CB-CD1 3.88Å; L197-V240 HydrophobicContact CD2-CG2 3.89Å |
| 198 | A | 97.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -84 | -29 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L151 A154 L155 R160 S194 V196 | L151-A198 HydrophobicContact CD1-CB 4.21Å; A154-A198 HydrophobicContact CB-CB 4.32Å; L155-A198 HydrophobicContact CD2-CB 3.87Å; L155-A198 HydrophobicContact CG-CB 4.46Å; R160-A198 PolarHBondContact NH2-O 3.43Å; S194-A198 WeakPolarHBondContact O-CB 3.33Å; S194-A198 PolarHBondContact O-N 2.89Å; V196-A198 PolarHBondContact O-N 3.41Å |
| 199 | S | 96.8 | Very high | 96.9 | Very high | 26 Ų | 26 | 30.8 Ų | 30.8 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -102.3 | -32.2 | -168.7 | 67.9 | 0 | 0 | 0 | 0 | 115.5 | D161 Y195 V196 | D161-S199 PolarHBondContact N-O 2.92Å; Y195-S199 VanDerWaalsContact O-CB 3.26Å; Y195-S199 WeakPolarHBondContact O-CB 3.26Å; Y195-S199 PolarHBondContact O-N 3.49Å; Y195-S199 VanDerWaalsContact O-N 3.09Å; Y195-S199 PolarHBondContact O-OG 2.95Å; V196-S199 PolarHBondContact O-N 3.3Å |
| 200 | R | 98.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -76.8 | 147.5 | -173.5 | -60.4 | -56.7 | -174.7 | -106.4 | 0 | 112.6 | R160 D174 Y195 V196 Q204 L205 | R160-R200 WeakPolarHBondContact CG-O 3.33Å; R160-R200 PolarHBondContact NH1-O 3.4Å; D174-R200 IonicContact OD1-CZ 3.27Å; D174-R200 IonicContact OD1-NE 2.74Å; D174-R200 IonicContact OD1-NH2 2.72Å; D174-R200 PolarHBondContact OD1-NH2 3.01Å; D174-R200 IonicContact OD2-CZ 2.78Å; D174-R200 IonicContact OD2-NE 3.1Å; D174-R200 PolarHBondContact OD2-NE 2.97Å; D174-R200 IonicContact OD2-NH2 3.33Å; D174-R200 PolarHBondContact OD2-NH2 3.02Å; Y195-R200 VanDerWaalsContact CZ-NH1 3.32Å; Y195-R200 PolarHBondContact OH-NH1 3.03Å; V196-R200 HydrophobicContact CG1-CG 4.2Å; V196-R200 WeakPolarHBondContact O-CG 3.48Å; V196-R200 PolarHBondContact O-N 3.11Å; R200-Q204 HydrophobicContact CB-CB 4.28Å; R200-Q204 HydrophobicContact CB-CG 4.13Å; R200-Q204 HydrophobicContact CG-CG 4.28Å; R200-L205 HydrophobicContact CB-CD2 3.75Å; R200-L205 HydrophobicContact CB-CG 3.77Å; R200-L205 HydrophobicContact CG-CD2 4.25Å |
| 201 | N | 97.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -65.3 | 160.9 | 171 | 77.8 | 69.2 | 0 | 0 | 0 | 110.8 | D161 T163 D165 L203 Q204 L205 | D161-N201 HydrophobicContact CB-CB 4.06Å; D161-N201 WeakPolarHBondContact O-CA 3.19Å; D161-N201 WeakPolarHBondContact O-CB 3.39Å; D161-N201 PolarHBondContact OD2-ND2 2.74Å; T163-N201 VanDerWaalsContact O-CB 3.25Å; T163-N201 WeakPolarHBondContact O-CB 3.32Å; T163-N201 VanDerWaalsContact O-CG 3.31Å; D165-N201 PolarHBondContact O-ND2 2.9Å; N201-L203 VanDerWaalsContact C-N 3.34Å; N201-L203 PolarHBondContact O-N 3.39Å; N201-L203 WeakPolarHBondContact OD1-CA 3.31Å; N201-L203 WeakPolarHBondContact OD1-CB 3.48Å; N201-L203 PolarHBondContact OD1-N 3.33Å; N201-Q204 PolarHBondContact O-N 3.34Å; N201-Q204 PolarHBondContact OD1-N 3.18Å; N201-L205 PolarHBondContact O-N 3.5Å | ||
| 202 | Y | 96.3 | Very high | 97.8 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.7 | -31.7 | -173.4 | -62.3 | -26.3 | 0 | 0 | 0 | 113.9 | M1 L205 Q206 V242 A243 | M1-Y202 HydrophobicContact CE-CD2 3.67Å; M1-Y202 HydrophobicContact CE-CE2 4.16Å; Y202-L205 HydrophobicContact CD1-CD1 4.47Å; Y202-Q206 VanDerWaalsContact O-CG 3.29Å; Y202-Q206 WeakPolarHBondContact O-CG 3.31Å; Y202-Q206 PolarHBondContact O-N 3.08Å; Y202-V242 HydrophobicContact CE1-CG1 4.33Å; Y202-V242 HydrophobicContact CE2-CG1 4.3Å; Y202-A243 HydrophobicContact CD1-CB 3.98Å; Y202-A243 HydrophobicContact CG-CB 4.44Å |
| 203 | L | 97.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 33 Ų | 33 | 36% | 0.356 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.3 | -40.5 | 177.7 | -61.6 | -177 | 0 | 0 | 0 | 110.9 | Y164 V166 N201 Q206 A207 | Y164-L203 HydrophobicContact CD1-CD1 4.15Å; Y164-L203 WeakPolarHBondContact O-CD1 3.48Å; V166-L203 HydrophobicContact CG2-CB 3.68Å; N201-L203 VanDerWaalsContact C-N 3.34Å; N201-L203 PolarHBondContact O-N 3.39Å; N201-L203 WeakPolarHBondContact OD1-CA 3.31Å; N201-L203 WeakPolarHBondContact OD1-CB 3.48Å; N201-L203 PolarHBondContact OD1-N 3.33Å; L203-Q206 PolarHBondContact O-N 2.86Å; L203-A207 PolarHBondContact O-N 2.64Å |
| 204 | Q | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -48.5 | 171.5 | -174.9 | 65.3 | 27.5 | 0 | 0 | 111.2 | D167 A171 R200 N201 Q206 A207 T208 | D167-Q204 PolarHBondContact O-NE2 3.36Å; D167-Q204 PolarHBondContact O-OE1 3.48Å; A171-Q204 VanDerWaalsContact CA-NE2 3.32Å; R200-Q204 HydrophobicContact CB-CB 4.28Å; R200-Q204 HydrophobicContact CB-CG 4.13Å; R200-Q204 HydrophobicContact CG-CG 4.28Å; N201-Q204 PolarHBondContact O-N 3.34Å; N201-Q204 PolarHBondContact OD1-N 3.18Å; Q204-Q206 VanDerWaalsContact C-N 3.32Å; Q204-Q206 PolarHBondContact O-N 3.1Å; Q204-A207 WeakPolarHBondContact O-CB 3.31Å; Q204-A207 PolarHBondContact O-N 3.44Å; Q204-A207 VanDerWaalsContact O-N 3.16Å; Q204-T208 PolarHBondContact O-N 3.1Å; Q204-T208 PolarHBondContact O-OG1 3.23Å; Q204-T208 VanDerWaalsContact O-OG1 3.12Å |
| 205 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -41.4 | 176.9 | -74.5 | 178.4 | 0 | 0 | 0 | 112.6 | V196 L197 R200 N201 Y202 A207 T208 F209 A243 | V196-L205 HydrophobicContact CG1-CD2 3.93Å; L197-L205 HydrophobicContact CD2-CD2 4.22Å; R200-L205 HydrophobicContact CB-CD2 3.75Å; R200-L205 HydrophobicContact CB-CG 3.77Å; R200-L205 HydrophobicContact CG-CD2 4.25Å; N201-L205 PolarHBondContact O-N 3.5Å; Y202-L205 HydrophobicContact CD1-CD1 4.47Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-A207 PolarHBondContact O-N 3.26Å; L205-T208 PolarHBondContact O-N 3.29Å; L205-F209 HydrophobicContact CB-CE2 3.91Å; L205-F209 HydrophobicContact CB-CZ 3.85Å; L205-F209 HydrophobicContact CD1-CZ 4.49Å; L205-F209 HydrophobicContact CD2-CE1 4.24Å; L205-F209 HydrophobicContact CD2-CZ 4.02Å; L205-F209 HydrophobicContact CG-CZ 4.34Å; L205-F209 WeakPolarHBondContact O-CD1 3.46Å; L205-F209 WeakPolarHBondContact O-CD2 3.45Å; L205-F209 WeakPolarHBondContact O-CG 3.41Å; L205-F209 PolarHBondContact O-N 3.11Å; L205-A243 HydrophobicContact CB-CB 4Å; L205-A243 HydrophobicContact CD1-CB 3.76Å |
| 206 | Q | 98.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 176.4 | -73.3 | 176.2 | 33.3 | 0 | 0 | 112 | Y202 L203 Q204 F209 K210 A243 | Y202-Q206 VanDerWaalsContact O-CG 3.29Å; Y202-Q206 WeakPolarHBondContact O-CG 3.31Å; Y202-Q206 PolarHBondContact O-N 3.08Å; L203-Q206 PolarHBondContact O-N 2.86Å; Q204-Q206 VanDerWaalsContact C-N 3.32Å; Q204-Q206 PolarHBondContact O-N 3.1Å; Q206-F209 PolarHBondContact O-N 2.96Å; Q206-K210 PolarHBondContact O-N 2.75Å; Q206-K210 VanDerWaalsContact O-N 3.12Å; Q206-A243 PolarHBondContact NE2-O 3.48Å |
| 207 | A | 98.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V166 A171 L203 Q204 L205 F209 K210 I211 | V166-A207 HydrophobicContact CG1-CB 3.7Å; A171-A207 HydrophobicContact CB-CB 3.97Å; L203-A207 PolarHBondContact O-N 2.64Å; Q204-A207 WeakPolarHBondContact O-CB 3.31Å; Q204-A207 PolarHBondContact O-N 3.44Å; Q204-A207 VanDerWaalsContact O-N 3.16Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-A207 PolarHBondContact O-N 3.26Å; A207-F209 VanDerWaalsContact C-N 3.35Å; A207-F209 PolarHBondContact O-N 2.85Å; A207-K210 WeakPolarHBondContact O-CB 3.33Å; A207-K210 PolarHBondContact O-N 3.37Å; A207-I211 WeakPolarHBondContact O-CG1 3.36Å; A207-I211 PolarHBondContact O-N 3.16Å |
| 208 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.9 | -46.9 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | D174 A175 L178 Q204 L205 K210 I211 Y212 | D174-T208 HydrophobicContact CB-CG2 3.77Å; A175-T208 HydrophobicContact CB-CG2 4.13Å; A175-T208 WeakPolarHBondContact CB-O 3.45Å; L178-T208 HydrophobicContact CD1-CG2 3.85Å; Q204-T208 PolarHBondContact O-N 3.1Å; Q204-T208 PolarHBondContact O-OG1 3.23Å; Q204-T208 VanDerWaalsContact O-OG1 3.12Å; L205-T208 PolarHBondContact O-N 3.29Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 2.85Å; T208-I211 PolarHBondContact O-N 3.4Å; T208-Y212 WeakPolarHBondContact O-CB 3.35Å; T208-Y212 PolarHBondContact O-N 2.94Å |
| 209 | F | 98.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | -179.3 | -58.4 | -26.1 | 0 | 0 | 0 | 112.8 | L197 L205 Q206 A207 Y212 E213 I220 V240 A243 | L197-F209 HydrophobicContact CD2-CE1 3.77Å; L197-F209 HydrophobicContact CD2-CZ 3.58Å; L205-F209 HydrophobicContact CB-CE2 3.91Å; L205-F209 HydrophobicContact CB-CZ 3.85Å; L205-F209 HydrophobicContact CD1-CZ 4.49Å; L205-F209 HydrophobicContact CD2-CE1 4.24Å; L205-F209 HydrophobicContact CD2-CZ 4.02Å; L205-F209 HydrophobicContact CG-CZ 4.34Å; L205-F209 WeakPolarHBondContact O-CD1 3.46Å; L205-F209 WeakPolarHBondContact O-CD2 3.45Å; L205-F209 WeakPolarHBondContact O-CG 3.41Å; L205-F209 PolarHBondContact O-N 3.11Å; Q206-F209 PolarHBondContact O-N 2.96Å; A207-F209 VanDerWaalsContact C-N 3.35Å; A207-F209 PolarHBondContact O-N 2.85Å; F209-Y212 PolarHBondContact O-N 2.97Å; F209-E213 PolarHBondContact O-N 2.68Å; F209-E213 VanDerWaalsContact O-N 3.11Å; F209-I220 HydrophobicContact CB-CG2 3.99Å; F209-I220 HydrophobicContact CD1-CB 4.16Å; F209-I220 HydrophobicContact CD1-CG1 3.92Å; F209-I220 HydrophobicContact CD1-CG2 3.88Å; F209-I220 HydrophobicContact CD2-CG2 4.24Å; F209-I220 HydrophobicContact CE1-CG1 4.13Å; F209-I220 HydrophobicContact CE1-CG2 4.46Å; F209-I220 HydrophobicContact CG-CB 4.46Å; F209-I220 HydrophobicContact CG-CG2 3.77Å; F209-V240 HydrophobicContact CD2-CG1 4.24Å; F209-V240 HydrophobicContact CE1-CG2 4.24Å; F209-V240 HydrophobicContact CE2-CB 4.23Å; F209-V240 HydrophobicContact CE2-CG1 3.86Å; F209-V240 HydrophobicContact CE2-CG2 4.13Å; F209-V240 HydrophobicContact CZ-CB 4.3Å; F209-V240 HydrophobicContact CZ-CG1 4.29Å; F209-V240 HydrophobicContact CZ-CG2 3.72Å; F209-A243 HydrophobicContact CE2-CB 4.13Å |
| 210 | K | 98.4 | Very high | 97.3 | Very high | 136 Ų | 136 | 44.6 Ų | 44.6 | 59% | 0.591 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.4 | -42 | 175.9 | -179.3 | -176.3 | 174.1 | -168.6 | 0 | 111.3 | Q206 A207 T208 Q214 | Q206-K210 PolarHBondContact O-N 2.75Å; Q206-K210 VanDerWaalsContact O-N 3.12Å; A207-K210 WeakPolarHBondContact O-CB 3.33Å; A207-K210 PolarHBondContact O-N 3.37Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 2.85Å; K210-Q214 WeakPolarHBondContact O-CG 3.44Å; K210-Q214 PolarHBondContact O-N 3.2Å |
| 211 | I | 98.5 | Very high | 97.3 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.5 | -40.9 | 176.7 | -63 | 170 | 0 | 0 | 0 | 110.3 | A171 E172 A175 A207 T208 E213 Q214 L215 | A171-I211 HydrophobicContact CB-CD1 3.7Å; E172-I211 HydrophobicContact CB-CD1 4.26Å; E172-I211 HydrophobicContact CG-CG2 4.45Å; A175-I211 HydrophobicContact CB-CB 3.87Å; A175-I211 HydrophobicContact CB-CG2 3.71Å; A207-I211 WeakPolarHBondContact O-CG1 3.36Å; A207-I211 PolarHBondContact O-N 3.16Å; T208-I211 PolarHBondContact O-N 3.4Å; I211-E213 VanDerWaalsContact C-N 3.32Å; I211-E213 PolarHBondContact O-N 2.95Å; I211-Q214 WeakPolarHBondContact O-CB 3.25Å; I211-Q214 PolarHBondContact O-N 3.13Å; I211-L215 HydrophobicContact CG2-CD1 3.84Å; I211-L215 HydrophobicContact CG2-CG 4.1Å; I211-L215 WeakPolarHBondContact O-CG 3.18Å; I211-L215 PolarHBondContact O-N 3.31Å |
| 212 | Y | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.7 | -49.9 | 175.5 | 179.7 | -86.2 | 0 | 0 | 0 | 111.7 | L178 F179 E183 T208 F209 Q214 L215 S216 T218 I220 A223 | L178-Y212 HydrophobicContact CB-CD2 3.87Å; L178-Y212 HydrophobicContact CB-CE2 3.93Å; F179-Y212 HydrophobicContact CB-CD2 4.35Å; F179-Y212 HydrophobicContact CB-CE2 4.02Å; E183-Y212 PolarHBondContact OE2-OH 3.27Å; E183-Y212 VanDerWaalsContact OE2-OH 3.06Å; T208-Y212 WeakPolarHBondContact O-CB 3.35Å; T208-Y212 PolarHBondContact O-N 2.94Å; F209-Y212 PolarHBondContact O-N 2.97Å; Y212-Q214 VanDerWaalsContact C-N 3.28Å; Y212-Q214 PolarHBondContact O-N 3.14Å; Y212-L215 PolarHBondContact O-N 3.15Å; Y212-L215 VanDerWaalsContact O-N 3.1Å; Y212-S216 WeakPolarHBondContact CE1-OG 3.46Å; Y212-S216 PolarHBondContact O-N 3.39Å; Y212-S216 PolarHBondContact O-OG 2.73Å; Y212-T218 WeakPolarHBondContact CD1-O 3.25Å; Y212-T218 WeakPolarHBondContact CE1-O 3.41Å; Y212-I220 HydrophobicContact CD1-CB 4.06Å; Y212-I220 HydrophobicContact CD1-CD1 4.07Å; Y212-I220 HydrophobicContact CD2-CD1 4.17Å; Y212-I220 HydrophobicContact CE1-CB 4.29Å; Y212-I220 HydrophobicContact CE1-CD1 3.9Å; Y212-I220 HydrophobicContact CE2-CD1 3.99Å; Y212-I220 HydrophobicContact CG-CD1 4.2Å; Y212-A223 HydrophobicContact CE1-CB 4.04Å; Y212-A223 WeakPolarHBondContact OH-CB 3.38Å |
| 213 | E | 97.7 | Very high | 97.1 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 178.5 | -172.2 | -177.4 | 172.1 | 0 | 0 | 112.4 | F209 I211 G217 | F209-E213 PolarHBondContact O-N 2.68Å; F209-E213 VanDerWaalsContact O-N 3.11Å; I211-E213 VanDerWaalsContact C-N 3.32Å; I211-E213 PolarHBondContact O-N 2.95Å; E213-G217 VanDerWaalsContact O-CA 3.27Å; E213-G217 WeakPolarHBondContact O-CA 3.41Å; E213-G217 PolarHBondContact O-N 3.39Å |
| 214 | Q | 97 | Very high | 97 | Very high | 139 Ų | 139 | 43.7 Ų | 43.7 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -69.7 | -34.3 | 175.5 | -68.5 | 172.7 | 7.5 | 0 | 0 | 112.8 | K210 I211 Y212 | K210-Q214 WeakPolarHBondContact O-CG 3.44Å; K210-Q214 PolarHBondContact O-N 3.2Å; I211-Q214 WeakPolarHBondContact O-CB 3.25Å; I211-Q214 PolarHBondContact O-N 3.13Å; Y212-Q214 VanDerWaalsContact C-N 3.28Å; Y212-Q214 PolarHBondContact O-N 3.14Å |
| 215 | L | 94.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 45% | 0.445 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -78.2 | -46.6 | -179.4 | -69.5 | 174.5 | 0 | 0 | 0 | 112.1 | A175 I211 Y212 | A175-L215 HydrophobicContact CB-CD1 4.09Å; I211-L215 HydrophobicContact CG2-CD1 3.84Å; I211-L215 HydrophobicContact CG2-CG 4.1Å; I211-L215 WeakPolarHBondContact O-CG 3.18Å; I211-L215 PolarHBondContact O-N 3.31Å; Y212-L215 PolarHBondContact O-N 3.15Å; Y212-L215 VanDerWaalsContact O-N 3.1Å |
| 216 | S | 93.9 | Very high | 96.5 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -92.8 | -25.6 | -173.2 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | F179 E183 Y212 T218 | F179-S216 VanDerWaalsContact CD2-CB 3.47Å; E183-S216 VanDerWaalsContact OE2-CB 3.23Å; E183-S216 WeakPolarHBondContact OE2-CB 3.33Å; E183-S216 PolarHBondContact OE2-OG 3.41Å; Y212-S216 WeakPolarHBondContact CE1-OG 3.46Å; Y212-S216 PolarHBondContact O-N 3.39Å; Y212-S216 PolarHBondContact O-OG 2.73Å; S216-T218 PolarHBondContact OG-N 3.05Å; S216-T218 PolarHBondContact OG-O 3.49Å |
| 217 | G | 95.4 | Very high | 96.1 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 76.2 | 7.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E213 | E213-G217 VanDerWaalsContact O-CA 3.27Å; E213-G217 WeakPolarHBondContact O-CA 3.41Å; E213-G217 PolarHBondContact O-N 3.39Å |
| 218 | T | 95.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -120.9 | 137.4 | -178.4 | -55 | 0 | 0 | 0 | 0 | 109.9 | E183 Y212 S216 D222 A223 | E183-T218 WeakPolarHBondContact OE1-CB 3.39Å; E183-T218 PolarHBondContact OE1-OG1 3.35Å; E183-T218 WeakPolarHBondContact OE2-CB 3.18Å; Y212-T218 WeakPolarHBondContact CD1-O 3.25Å; Y212-T218 WeakPolarHBondContact CE1-O 3.41Å; S216-T218 PolarHBondContact OG-N 3.05Å; S216-T218 PolarHBondContact OG-O 3.49Å; T218-D222 HydrophobicContact CG2-CB 3.79Å; T218-A223 HydrophobicContact CG2-CB 4.32Å |
| 219 | E | 96.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | trans | -65.6 | 140.6 | 170.8 | -73.7 | -163.4 | -153.1 | 0 | 0 | 110.7 | L221 D222 A223 | E219-L221 PolarHBondContact O-N 3.46Å; E219-D222 WeakPolarHBondContact O-CB 3.37Å; E219-D222 PolarHBondContact O-N 3.02Å; E219-A223 PolarHBondContact O-N 3.4Å | ||
| 220 | I | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.6 | -31.3 | 179.7 | -171.6 | 59.9 | 0 | 0 | 0 | 113.6 | L178 F193 F209 Y212 I224 V240 | L178-I220 HydrophobicContact CD1-CD1 4.44Å; F193-I220 HydrophobicContact CE1-CD1 3.95Å; F193-I220 HydrophobicContact CZ-CD1 4.48Å; F209-I220 HydrophobicContact CB-CG2 3.99Å; F209-I220 HydrophobicContact CD1-CB 4.16Å; F209-I220 HydrophobicContact CD1-CG1 3.92Å; F209-I220 HydrophobicContact CD1-CG2 3.88Å; F209-I220 HydrophobicContact CD2-CG2 4.24Å; F209-I220 HydrophobicContact CE1-CG1 4.13Å; F209-I220 HydrophobicContact CE1-CG2 4.46Å; F209-I220 HydrophobicContact CG-CB 4.46Å; F209-I220 HydrophobicContact CG-CG2 3.77Å; Y212-I220 HydrophobicContact CD1-CB 4.06Å; Y212-I220 HydrophobicContact CD1-CD1 4.07Å; Y212-I220 HydrophobicContact CD2-CD1 4.17Å; Y212-I220 HydrophobicContact CE1-CB 4.29Å; Y212-I220 HydrophobicContact CE1-CD1 3.9Å; Y212-I220 HydrophobicContact CE2-CD1 3.99Å; Y212-I220 HydrophobicContact CG-CD1 4.2Å; I220-I224 HydrophobicContact CG1-CD1 4.07Å; I220-I224 WeakPolarHBondContact O-CD1 3.35Å; I220-I224 VanDerWaalsContact O-CG1 3.26Å; I220-I224 WeakPolarHBondContact O-CG1 3.24Å; I220-I224 PolarHBondContact O-N 3.34Å; I220-V240 HydrophobicContact CG1-CG2 4.46Å; I220-V240 HydrophobicContact CG2-CG1 3.83Å; I220-V240 HydrophobicContact CG2-CG2 4.48Å |
| 221 | L | 97.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 53 Ų | 53 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70 | -36.4 | 177 | -76 | 177 | 0 | 0 | 0 | 112.1 | E219 D225 T237 V240 | E219-L221 PolarHBondContact O-N 3.46Å; L221-D225 WeakPolarHBondContact O-CB 3.49Å; L221-D225 PolarHBondContact O-N 3.16Å; L221-T237 HydrophobicContact CD2-CG2 4.21Å; L221-V240 HydrophobicContact CD1-CG1 4.4Å; L221-V240 HydrophobicContact CD2-CB 3.8Å; L221-V240 HydrophobicContact CD2-CG1 3.54Å; L221-V240 HydrophobicContact CD2-CG2 4.47Å; L221-V240 HydrophobicContact CG-CG1 3.76Å |
| 222 | D | 96.3 | Very high | 95.4 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72 | -39.2 | 177.6 | -65.5 | -23.1 | 0 | 0 | 0 | 110.3 | T218 E219 D225 N226 | T218-D222 HydrophobicContact CG2-CB 3.79Å; E219-D222 WeakPolarHBondContact O-CB 3.37Å; E219-D222 PolarHBondContact O-N 3.02Å; D222-D225 WeakPolarHBondContact O-CB 3.41Å; D222-D225 PolarHBondContact O-N 3.36Å; D222-D225 VanDerWaalsContact O-N 3.15Å; D222-N226 VanDerWaalsContact O-CG 3.28Å; D222-N226 PolarHBondContact O-N 3.07Å; D222-N226 PolarHBondContact O-ND2 3.15Å; D222-N226 VanDerWaalsContact O-ND2 3.16Å |
| 223 | A | 94.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E183 Y212 T218 E219 D225 N226 E227 | E183-A223 HydrophobicContact CG-CB 4.41Å; Y212-A223 HydrophobicContact CE1-CB 4.04Å; Y212-A223 WeakPolarHBondContact OH-CB 3.38Å; T218-A223 HydrophobicContact CG2-CB 4.32Å; E219-A223 PolarHBondContact O-N 3.4Å; A223-D225 PolarHBondContact O-N 2.92Å; A223-N226 PolarHBondContact O-N 3.39Å; A223-E227 WeakPolarHBondContact O-CB 3.26Å; A223-E227 VanDerWaalsContact O-CG 3.3Å; A223-E227 WeakPolarHBondContact O-CG 3.39Å; A223-E227 PolarHBondContact O-N 3.44Å |
| 224 | I | 95.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -39.4 | 174.2 | -71.4 | 161.1 | 0 | 0 | 0 | 111.2 | F193 I220 N226 T228 K233 V240 | F193-I224 HydrophobicContact CD1-CG1 4.44Å; F193-I224 HydrophobicContact CE1-CG1 4.04Å; I220-I224 HydrophobicContact CG1-CD1 4.07Å; I220-I224 WeakPolarHBondContact O-CD1 3.35Å; I220-I224 VanDerWaalsContact O-CG1 3.26Å; I220-I224 WeakPolarHBondContact O-CG1 3.24Å; I220-I224 PolarHBondContact O-N 3.34Å; I224-N226 VanDerWaalsContact C-N 3.32Å; I224-N226 PolarHBondContact O-N 2.98Å; I224-T228 WeakPolarHBondContact CG2-OG1 3.25Å; I224-T228 PolarHBondContact O-N 3.37Å; I224-T228 VanDerWaalsContact O-N 3.08Å; I224-T228 PolarHBondContact O-OG1 3Å; I224-K233 HydrophobicContact CG2-CG 4.25Å; I224-V240 HydrophobicContact CD1-CG2 3.64Å |
| 225 | D | 94.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | -178.9 | -158.5 | 81.4 | 0 | 0 | 0 | 112.4 | L221 D222 A223 K233 | L221-D225 WeakPolarHBondContact O-CB 3.49Å; L221-D225 PolarHBondContact O-N 3.16Å; D222-D225 WeakPolarHBondContact O-CB 3.41Å; D222-D225 PolarHBondContact O-N 3.36Å; D222-D225 VanDerWaalsContact O-N 3.15Å; A223-D225 PolarHBondContact O-N 2.92Å; D225-K233 VanDerWaalsContact CG-CE 3.49Å; D225-K233 PolarHBondContact O-NZ 3.39Å; D225-K233 WeakPolarHBondContact OD1-CE 3.13Å; D225-K233 IonicContact OD1-NZ 2.73Å; D225-K233 PolarHBondContact OD1-NZ 3.22Å; D225-K233 IonicContact OD2-NZ 2.68Å; D225-K233 PolarHBondContact OD2-NZ 2.94Å |
| 226 | N | 91.7 | Very high | 95.7 | Very high | 120 Ų | 120 | 43.3 Ų | 43.3 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -81.9 | -36.6 | -178.4 | -67.5 | -31.5 | 0 | 0 | 0 | 113.5 | D222 A223 I224 | D222-N226 VanDerWaalsContact O-CG 3.28Å; D222-N226 PolarHBondContact O-N 3.07Å; D222-N226 PolarHBondContact O-ND2 3.15Å; D222-N226 VanDerWaalsContact O-ND2 3.16Å; A223-N226 PolarHBondContact O-N 3.39Å; I224-N226 VanDerWaalsContact C-N 3.32Å; I224-N226 PolarHBondContact O-N 2.98Å |
| 227 | E | 90.3 | Very high | 95.9 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -91.8 | -28.6 | -169.6 | -72.5 | -57.9 | 137.3 | 0 | 0 | 113.2 | T188 A223 | T188-E227 WeakPolarHBondContact OG1-CB 3.43Å; T188-E227 PolarHBondContact OG1-O 3.28Å; T188-E227 PolarHBondContact OG1-OE2 2.66Å; A223-E227 WeakPolarHBondContact O-CB 3.26Å; A223-E227 VanDerWaalsContact O-CG 3.3Å; A223-E227 WeakPolarHBondContact O-CG 3.39Å; A223-E227 PolarHBondContact O-N 3.44Å |
| 228 | T | 93.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | trans | -119.3 | 163.7 | -175.4 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | T188 I224 K233 Y236 | T188-T228 HydrophobicContact CG2-CG2 4.44Å; I224-T228 WeakPolarHBondContact CG2-OG1 3.25Å; I224-T228 PolarHBondContact O-N 3.37Å; I224-T228 VanDerWaalsContact O-N 3.08Å; I224-T228 PolarHBondContact O-OG1 3Å; T228-K233 WeakPolarHBondContact O-CD 3.25Å; T228-K233 WeakPolarHBondContact OG1-CA 3.19Å; T228-K233 VanDerWaalsContact OG1-CB 3.29Å; T228-K233 WeakPolarHBondContact OG1-CB 3.43Å; T228-Y236 HydrophobicContact CG2-CD2 4.03Å; T228-Y236 HydrophobicContact CG2-CE2 4.04Å | ||
| 229 | S | 94.1 | Very high | 96.2 | Very high | 96 Ų | 96 | 38.4 Ų | 38.4 | 67% | 0.671 | 22% | 0.217 | S | C | * | . | trans | -143.4 | 174.5 | 178.2 | 69.1 | 0 | 0 | 0 | 0 | 112 | K233 | S229-K233 PolarHBondContact O-N 3.23Š| ||
| 230 | G | 96.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | 56.6 | -141.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K233 K234 | G230-K233 PolarHBondContact O-N 3.15Å; G230-K234 PolarHBondContact O-N 3.47Å |
| 231 | T | 97.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.6 | -33.3 | -175.1 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | E106 V110 V148 K233 K234 C235 | E106-T231 HydrophobicContact CB-CG2 3.69Å; E106-T231 HydrophobicContact CG-CG2 4.09Å; E106-T231 WeakPolarHBondContact OE1-CB 2.93Å; E106-T231 PolarHBondContact OE1-OG1 2.89Å; E106-T231 PolarHBondContact OE2-OG1 3.39Å; V110-T231 HydrophobicContact CG2-CG2 4.12Å; V148-T231 HydrophobicContact CB-CG2 4.5Å; V148-T231 HydrophobicContact CG1-CG2 3.64Å; V148-T231 HydrophobicContact CG2-CG2 3.98Å; T231-K233 VanDerWaalsContact C-N 3.34Å; T231-K233 PolarHBondContact O-N 3.44Å; T231-K234 WeakPolarHBondContact O-CA 3.27Å; T231-K234 WeakPolarHBondContact O-CB 3.36Å; T231-K234 PolarHBondContact O-N 3.27Å; T231-C235 PolarHBondContact O-N 3.43Å; T231-C235 PolarHBondContact O-SG 3.47Å; T231-C235 VanDerWaalsContact O-SG 3.39Å |
| 232 | L | 97.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 178 | -171.6 | 66.9 | 0 | 0 | 0 | 111.2 | D147 V148 L151 E190 K234 C235 Y236 | D147-L232 HydrophobicContact CB-CD1 4.08Å; D147-L232 HydrophobicContact CB-CD2 3.84Å; V148-L232 HydrophobicContact CG2-CB 4.03Å; L151-L232 HydrophobicContact CD2-CD1 4.03Å; E190-L232 HydrophobicContact CB-CD2 4.13Å; E190-L232 HydrophobicContact CG-CD2 3.5Å; E190-L232 VanDerWaalsContact CG-CD2 3.5Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 2.93Å; L232-C235 WeakPolarHBondContact O-CB 3.31Å; L232-C235 PolarHBondContact O-N 3.4Å; L232-C235 VanDerWaalsContact O-N 3.16Å; L232-Y236 HydrophobicContact CD1-CE1 3.99Å; L232-Y236 HydrophobicContact CD1-CE2 4.06Å; L232-Y236 HydrophobicContact CD2-CE2 3.9Å; L232-Y236 HydrophobicContact CG-CD2 4.17Å; L232-Y236 HydrophobicContact CG-CE1 4.5Å; L232-Y236 HydrophobicContact CG-CE2 3.71Å; L232-Y236 PolarHBondContact O-N 3.11Å |
| 233 | K | 97.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 22% | 0.217 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.2 | -41.8 | 172.2 | 176 | 166.9 | 168.5 | 167.1 | 0 | 112 | I224 D225 T228 S229 G230 T231 T237 | I224-K233 HydrophobicContact CG2-CG 4.25Å; D225-K233 VanDerWaalsContact CG-CE 3.49Å; D225-K233 PolarHBondContact O-NZ 3.39Å; D225-K233 WeakPolarHBondContact OD1-CE 3.13Å; D225-K233 IonicContact OD1-NZ 2.73Å; D225-K233 PolarHBondContact OD1-NZ 3.22Å; D225-K233 IonicContact OD2-NZ 2.68Å; D225-K233 PolarHBondContact OD2-NZ 2.94Å; T228-K233 WeakPolarHBondContact O-CD 3.25Å; T228-K233 WeakPolarHBondContact OG1-CA 3.19Å; T228-K233 VanDerWaalsContact OG1-CB 3.29Å; T228-K233 WeakPolarHBondContact OG1-CB 3.43Å; S229-K233 PolarHBondContact O-N 3.23Å; G230-K233 PolarHBondContact O-N 3.15Å; T231-K233 VanDerWaalsContact C-N 3.34Å; T231-K233 PolarHBondContact O-N 3.44Å; K233-T237 WeakPolarHBondContact O-CB 3.41Å; K233-T237 PolarHBondContact O-N 3.29Å; K233-T237 PolarHBondContact O-OG1 3.45Å |
| 234 | K | 98.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 37.2 Ų | 37.2 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.6 | -63.2 | 177.1 | 179.7 | -175 | 0 | 111.3 | D107 V110 G230 T231 L232 T237 A238 | D107-K234 VanDerWaalsContact OD1-CD 3.3Å; D107-K234 WeakPolarHBondContact OD1-CD 3.46Å; D107-K234 WeakPolarHBondContact OD1-CE 3.43Å; D107-K234 IonicContact OD1-NZ 2.99Å; D107-K234 PolarHBondContact OD1-NZ 2.91Å; D107-K234 IonicContact OD2-NZ 3.34Å; D107-K234 PolarHBondContact OD2-NZ 3.24Å; V110-K234 HydrophobicContact CG1-CB 4.33Å; V110-K234 HydrophobicContact CG2-CB 4.1Å; G230-K234 PolarHBondContact O-N 3.47Å; T231-K234 WeakPolarHBondContact O-CA 3.27Å; T231-K234 WeakPolarHBondContact O-CB 3.36Å; T231-K234 PolarHBondContact O-N 3.27Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 2.93Å; K234-T237 PolarHBondContact O-N 2.86Å; K234-A238 WeakPolarHBondContact O-CB 3.34Å; K234-A238 PolarHBondContact O-N 3.2Å |
| 235 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -54 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | V110 L151 T231 L232 T237 A238 L239 | V110-C235 VanDerWaalsContact CG2-SG 3.58Å; L151-C235 HydrophobicContact CD2-CB 3.35Å; T231-C235 PolarHBondContact O-N 3.43Å; T231-C235 PolarHBondContact O-SG 3.47Å; T231-C235 VanDerWaalsContact O-SG 3.39Å; L232-C235 WeakPolarHBondContact O-CB 3.31Å; L232-C235 PolarHBondContact O-N 3.4Å; L232-C235 VanDerWaalsContact O-N 3.16Å; C235-T237 VanDerWaalsContact C-N 3.33Å; C235-T237 PolarHBondContact O-N 3.49Å; C235-A238 WeakPolarHBondContact O-CB 3.34Å; C235-A238 PolarHBondContact O-N 3.04Å; C235-A238 VanDerWaalsContact O-N 3.1Å; C235-L239 WeakPolarHBondContact O-CG 3.42Å; C235-L239 PolarHBondContact O-N 2.82Å |
| 236 | Y | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | -179.8 | -67.3 | -20.4 | 0 | 0 | 0 | 112.1 | L151 E190 F193 S194 L197 T228 L232 A238 L239 V240 | L151-Y236 HydrophobicContact CD1-CE1 4.35Å; L151-Y236 HydrophobicContact CD2-CD1 3.79Å; L151-Y236 HydrophobicContact CD2-CE1 3.58Å; E190-Y236 PolarHBondContact O-OH 3.35Å; F193-Y236 HydrophobicContact CB-CD2 4.46Å; F193-Y236 HydrophobicContact CB-CE1 4.13Å; F193-Y236 HydrophobicContact CB-CE2 3.73Å; F193-Y236 HydrophobicContact CD1-CD2 4.38Å; F193-Y236 HydrophobicContact CD1-CE2 4.34Å; F193-Y236 HydrophobicContact CG-CE2 4.25Å; S194-Y236 PolarHBondContact N-OH 2.87Å; S194-Y236 PolarHBondContact OG-OH 3.33Å; L197-Y236 HydrophobicContact CD1-CD1 3.45Å; L197-Y236 VanDerWaalsContact CD1-CD1 3.45Å; L197-Y236 HydrophobicContact CD1-CE1 4.06Å; L197-Y236 HydrophobicContact CD1-CG 3.77Å; T228-Y236 HydrophobicContact CG2-CD2 4.03Å; T228-Y236 HydrophobicContact CG2-CE2 4.04Å; L232-Y236 HydrophobicContact CD1-CE1 3.99Å; L232-Y236 HydrophobicContact CD1-CE2 4.06Å; L232-Y236 HydrophobicContact CD2-CE2 3.9Å; L232-Y236 HydrophobicContact CG-CD2 4.17Å; L232-Y236 HydrophobicContact CG-CE1 4.5Å; L232-Y236 HydrophobicContact CG-CE2 3.71Å; L232-Y236 PolarHBondContact O-N 3.11Å; Y236-A238 VanDerWaalsContact C-N 3.3Å; Y236-A238 PolarHBondContact O-N 3.33Å; Y236-L239 PolarHBondContact O-N 3.5Å; Y236-V240 WeakPolarHBondContact O-CB 3.28Å; Y236-V240 VanDerWaalsContact O-CG2 3.32Å; Y236-V240 WeakPolarHBondContact O-CG2 3.5Å; Y236-V240 PolarHBondContact O-N 3.4Å |
| 237 | T | 98.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 174.5 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | L221 K233 K234 C235 R241 | L221-T237 HydrophobicContact CD2-CG2 4.21Å; K233-T237 WeakPolarHBondContact O-CB 3.41Å; K233-T237 PolarHBondContact O-N 3.29Å; K233-T237 PolarHBondContact O-OG1 3.45Å; K234-T237 PolarHBondContact O-N 2.86Å; C235-T237 VanDerWaalsContact C-N 3.33Å; C235-T237 PolarHBondContact O-N 3.49Å; T237-R241 HydrophobicContact CG2-CG 4.46Å; T237-R241 VanDerWaalsContact O-CB 3.3Å; T237-R241 WeakPolarHBondContact O-CB 3.39Å; T237-R241 WeakPolarHBondContact O-CG 3.44Å; T237-R241 PolarHBondContact O-N 3.3Å |
| 238 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.3 | -50.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | V110 C114 K234 C235 Y236 V240 R241 V242 Y249 | V110-A238 HydrophobicContact CG1-CB 3.74Å; C114-A238 HydrophobicContact CB-CB 3.83Å; K234-A238 WeakPolarHBondContact O-CB 3.34Å; K234-A238 PolarHBondContact O-N 3.2Å; C235-A238 WeakPolarHBondContact O-CB 3.34Å; C235-A238 PolarHBondContact O-N 3.04Å; C235-A238 VanDerWaalsContact O-N 3.1Å; Y236-A238 VanDerWaalsContact C-N 3.3Å; Y236-A238 PolarHBondContact O-N 3.33Å; A238-V240 PolarHBondContact O-N 3.15Å; A238-R241 PolarHBondContact O-N 3.06Å; A238-R241 VanDerWaalsContact O-N 3.15Å; A238-V242 WeakPolarHBondContact O-CB 3.46Å; A238-V242 VanDerWaalsContact O-CG2 3.24Å; A238-V242 WeakPolarHBondContact O-CG2 3.39Å; A238-V242 PolarHBondContact O-N 2.97Å; A238-Y249 HydrophobicContact CB-CD2 4.49Å; A238-Y249 HydrophobicContact CB-CE2 3.67Å |
| 239 | L | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 179.5 | -68.7 | 170.5 | 0 | 0 | 0 | 112.3 | C114 L151 L155 L197 C235 Y236 A243 | C114-L239 HydrophobicContact CB-CD2 3.87Å; C114-L239 HydrophobicContact CB-CG 4.09Å; L151-L239 HydrophobicContact CD1-CD1 4.1Å; L151-L239 HydrophobicContact CD2-CD1 4.26Å; L155-L239 HydrophobicContact CD1-CD2 4.42Å; L155-L239 HydrophobicContact CD2-CD2 3.96Å; L197-L239 HydrophobicContact CB-CB 4.34Å; L197-L239 HydrophobicContact CB-CD1 3.88Å; C235-L239 WeakPolarHBondContact O-CG 3.42Å; C235-L239 PolarHBondContact O-N 2.82Å; Y236-L239 PolarHBondContact O-N 3.5Å; L239-A243 VanDerWaalsContact O-CB 3.28Å; L239-A243 WeakPolarHBondContact O-CB 3.32Å; L239-A243 PolarHBondContact O-N 3.26Å |
| 240 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.3 | L197 F209 I220 L221 I224 Y236 A238 A243 K244 | L197-V240 HydrophobicContact CD2-CG2 3.89Å; F209-V240 HydrophobicContact CD2-CG1 4.24Å; F209-V240 HydrophobicContact CE1-CG2 4.24Å; F209-V240 HydrophobicContact CE2-CB 4.23Å; F209-V240 HydrophobicContact CE2-CG1 3.86Å; F209-V240 HydrophobicContact CE2-CG2 4.13Å; F209-V240 HydrophobicContact CZ-CB 4.3Å; F209-V240 HydrophobicContact CZ-CG1 4.29Å; F209-V240 HydrophobicContact CZ-CG2 3.72Å; I220-V240 HydrophobicContact CG1-CG2 4.46Å; I220-V240 HydrophobicContact CG2-CG1 3.83Å; I220-V240 HydrophobicContact CG2-CG2 4.48Å; L221-V240 HydrophobicContact CD1-CG1 4.4Å; L221-V240 HydrophobicContact CD2-CB 3.8Å; L221-V240 HydrophobicContact CD2-CG1 3.54Å; L221-V240 HydrophobicContact CD2-CG2 4.47Å; L221-V240 HydrophobicContact CG-CG1 3.76Å; I224-V240 HydrophobicContact CD1-CG2 3.64Å; Y236-V240 WeakPolarHBondContact O-CB 3.28Å; Y236-V240 VanDerWaalsContact O-CG2 3.32Å; Y236-V240 WeakPolarHBondContact O-CG2 3.5Å; Y236-V240 PolarHBondContact O-N 3.4Å; A238-V240 PolarHBondContact O-N 3.15Å; V240-A243 PolarHBondContact O-N 2.9Å; V240-K244 HydrophobicContact CG1-CD 4.39Å; V240-K244 WeakPolarHBondContact O-CG 3.37Å; V240-K244 PolarHBondContact O-N 2.88Å |
| 241 | R | 98.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 24 Ų | 24 | 33% | 0.325 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66.4 | -40.5 | -179.3 | -76.6 | 176.4 | 178.2 | 161.7 | 4.8 | 112.1 | T237 A238 K244 N245 Y249 | T237-R241 HydrophobicContact CG2-CG 4.46Å; T237-R241 VanDerWaalsContact O-CB 3.3Å; T237-R241 WeakPolarHBondContact O-CB 3.39Å; T237-R241 WeakPolarHBondContact O-CG 3.44Å; T237-R241 PolarHBondContact O-N 3.3Å; A238-R241 PolarHBondContact O-N 3.06Å; A238-R241 VanDerWaalsContact O-N 3.15Å; R241-K244 PolarHBondContact O-N 3.09Å; R241-N245 CarbonylContact O-C 3.15Å; R241-N245 PolarHBondContact O-N 3.04Å; R241-N245 VanDerWaalsContact O-O 3.11Å; R241-Y249 HydrophobicContact CB-CD2 3.92Å |
| 242 | V | 97.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | T115 Y202 A238 K244 N245 P246 Y249 | T115-V242 HydrophobicContact CG2-CG2 3.74Å; Y202-V242 HydrophobicContact CE1-CG1 4.33Å; Y202-V242 HydrophobicContact CE2-CG1 4.3Å; A238-V242 WeakPolarHBondContact O-CB 3.46Å; A238-V242 VanDerWaalsContact O-CG2 3.24Å; A238-V242 WeakPolarHBondContact O-CG2 3.39Å; A238-V242 PolarHBondContact O-N 2.97Å; V242-K244 VanDerWaalsContact C-N 3.26Å; V242-K244 PolarHBondContact O-N 3.34Å; V242-N245 PolarHBondContact O-N 3.39Å; V242-P246 HydrophobicContact CG1-CB 4.27Å; V242-P246 HydrophobicContact CG1-CG 4.14Å; V242-P246 WeakPolarHBondContact O-CD 3.47Å; V242-P246 VanDerWaalsContact O-CG 3.28Å; V242-P246 WeakPolarHBondContact O-CG 3.41Å; V242-Y249 HydrophobicContact CG2-CD1 4.01Å; V242-Y249 HydrophobicContact CG2-CD2 4.31Å; V242-Y249 HydrophobicContact CG2-CG 3.87Å |
| 243 | A | 97.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.6 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y202 L205 Q206 F209 L239 V240 | Y202-A243 HydrophobicContact CD1-CB 3.98Å; Y202-A243 HydrophobicContact CG-CB 4.44Å; L205-A243 HydrophobicContact CB-CB 4Å; L205-A243 HydrophobicContact CD1-CB 3.76Å; Q206-A243 PolarHBondContact NE2-O 3.48Å; F209-A243 HydrophobicContact CE2-CB 4.13Å; L239-A243 VanDerWaalsContact O-CB 3.28Å; L239-A243 WeakPolarHBondContact O-CB 3.32Å; L239-A243 PolarHBondContact O-N 3.26Å; V240-A243 PolarHBondContact O-N 2.9Å |
| 244 | K | 96.7 | Very high | 98 | Very high | 88 Ų | 88 | 24.3 Ų | 24.3 | 38% | 0.383 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -72.4 | -51.5 | 175.9 | -71.8 | -174.6 | 177.5 | -168.5 | 0 | 112.6 | V240 R241 V242 | V240-K244 HydrophobicContact CG1-CD 4.39Å; V240-K244 WeakPolarHBondContact O-CG 3.37Å; V240-K244 PolarHBondContact O-N 2.88Å; R241-K244 PolarHBondContact O-N 3.09Å; V242-K244 VanDerWaalsContact C-N 3.26Å; V242-K244 PolarHBondContact O-N 3.34Å |
| 245 | N | 96.3 | Very high | 98 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 24% | 0.241 | 11% | 0.105 | C | C | . | . | trans | -163.8 | 103.7 | -179.9 | -176.2 | -35.1 | 0 | 0 | 0 | 110.3 | R241 V242 Q247 L248 Y249 M286 | R241-N245 CarbonylContact O-C 3.15Å; R241-N245 PolarHBondContact O-N 3.04Å; R241-N245 VanDerWaalsContact O-O 3.11Å; V242-N245 PolarHBondContact O-N 3.39Å; N245-Q247 PolarHBondContact O-N 2.81Å; N245-Q247 PolarHBondContact OD1-N 3.27Å; N245-Q247 VanDerWaalsContact OD1-N 3.14Å; N245-L248 HydrophobicContact CB-CB 3.88Å; N245-L248 PolarHBondContact O-N 3.39Å; N245-L248 WeakPolarHBondContact OD1-CB 3.22Å; N245-L248 PolarHBondContact OD1-N 2.93Å; N245-Y249 PolarHBondContact O-N 2.84Å; N245-Y249 VanDerWaalsContact O-N 3.15Å; N245-M286 PolarHBondContact ND2-SD 3.15Å; N245-M286 VanDerWaalsContact ND2-SD 3.42Å | ||
| 246 | P | 95.3 | Very high | 98 | Very high | 32 Ų | 32 | 29 Ų | 29 | 21% | 0.208 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | -178.9 | -22.9 | 32.5 | 0 | 0 | 0 | 113.7 | V242 L248 Y249 F250 | V242-P246 HydrophobicContact CG1-CB 4.27Å; V242-P246 HydrophobicContact CG1-CG 4.14Å; V242-P246 WeakPolarHBondContact O-CD 3.47Å; V242-P246 VanDerWaalsContact O-CG 3.28Å; V242-P246 WeakPolarHBondContact O-CG 3.41Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 3.32Å; P246-Y249 VanDerWaalsContact O-CB 3.3Å; P246-Y249 WeakPolarHBondContact O-CB 3.48Å; P246-Y249 PolarHBondContact O-N 3.11Å; P246-Y249 VanDerWaalsContact O-N 3.12Å; P246-F250 VanDerWaalsContact O-CD2 3.29Å; P246-F250 WeakPolarHBondContact O-CD2 3.43Å; P246-F250 PolarHBondContact O-N 3.4Å |
| 247 | Q | 97.4 | Very high | 98 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | -177.5 | -69 | 72.4 | 31.2 | 0 | 0 | 111.2 | N245 Y249 F250 A251 D279 T282 I283 M286 | N245-Q247 PolarHBondContact O-N 2.81Å; N245-Q247 PolarHBondContact OD1-N 3.27Å; N245-Q247 VanDerWaalsContact OD1-N 3.14Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 2.74Å; Q247-F250 PolarHBondContact O-N 3.3Å; Q247-A251 PolarHBondContact O-N 2.98Å; Q247-D279 HydrophobicContact CG-CB 4.31Å; Q247-D279 WeakPolarHBondContact CG-OD2 3.25Å; Q247-D279 PolarHBondContact NE2-OD2 3.29Å; Q247-T282 HydrophobicContact CB-CG2 4.27Å; Q247-T282 HydrophobicContact CG-CG2 3.78Å; Q247-I283 HydrophobicContact CB-CG1 3.95Å; Q247-I283 HydrophobicContact CG-CG1 4.08Å; Q247-M286 HydrophobicContact CB-CG 3.74Å |
| 248 | L | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.1 | -24.7 | 175.1 | -163.9 | 68.2 | 0 | 0 | 0 | 112.6 | N245 P246 R252 M286 K290 | N245-L248 HydrophobicContact CB-CB 3.88Å; N245-L248 PolarHBondContact O-N 3.39Å; N245-L248 WeakPolarHBondContact OD1-CB 3.22Å; N245-L248 PolarHBondContact OD1-N 2.93Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 3.32Å; L248-R252 VanDerWaalsContact CD2-NH1 3.28Å; L248-R252 VanDerWaalsContact O-CG 3.31Å; L248-R252 WeakPolarHBondContact O-CG 3.37Å; L248-R252 PolarHBondContact O-N 3.34Å; L248-R252 VanDerWaalsContact O-N 3.13Å; L248-R252 PolarHBondContact O-NH1 3.33Å; L248-M286 HydrophobicContact CB-CB 4.46Å; L248-M286 HydrophobicContact CB-CG 4.49Å; L248-M286 HydrophobicContact CB-SD 4.48Å; L248-M286 HydrophobicContact CD1-CB 3.89Å; L248-M286 HydrophobicContact CD1-SD 4.4Å; L248-K290 HydrophobicContact CD1-CB 3.99Å; L248-K290 HydrophobicContact CD1-CD 3.74Å; L248-K290 HydrophobicContact CD1-CG 4.39Å; L248-K290 HydrophobicContact CG-CD 4.27Å |
| 249 | Y | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -50.2 | 169.4 | 167.6 | -94.2 | 0 | 0 | 0 | 110.7 | E111 T115 A238 R241 V242 N245 P246 Q247 A251 R252 R253 | E111-Y249 HydrophobicContact CG-CE1 4.47Å; T115-Y249 HydrophobicContact CG2-CD1 3.84Å; T115-Y249 HydrophobicContact CG2-CE1 3.47Å; T115-Y249 VanDerWaalsContact CG2-CE1 3.47Å; A238-Y249 HydrophobicContact CB-CD2 4.49Å; A238-Y249 HydrophobicContact CB-CE2 3.67Å; R241-Y249 HydrophobicContact CB-CD2 3.92Å; V242-Y249 HydrophobicContact CG2-CD1 4.01Å; V242-Y249 HydrophobicContact CG2-CD2 4.31Å; V242-Y249 HydrophobicContact CG2-CG 3.87Å; N245-Y249 PolarHBondContact O-N 2.84Å; N245-Y249 VanDerWaalsContact O-N 3.15Å; P246-Y249 VanDerWaalsContact O-CB 3.3Å; P246-Y249 WeakPolarHBondContact O-CB 3.48Å; P246-Y249 PolarHBondContact O-N 3.11Å; P246-Y249 VanDerWaalsContact O-N 3.12Å; Q247-Y249 VanDerWaalsContact C-N 3.27Å; Q247-Y249 PolarHBondContact O-N 2.74Å; Y249-A251 PolarHBondContact O-N 3.17Å; Y249-R252 WeakPolarHBondContact O-CB 3.29Å; Y249-R252 PolarHBondContact O-N 2.65Å; Y249-R252 VanDerWaalsContact O-N 3.16Å; Y249-R253 HydrophobicContact CD1-CG 4.42Å; Y249-R253 HydrophobicContact CE1-CG 3.87Å; Y249-R253 HydrophobicContact CE2-CG 4.28Å; Y249-R253 PolarHBondContact O-N 3.46Å |
| 250 | F | 98.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 178 | -70.6 | -68.1 | 0 | 0 | 0 | 112.5 | E111 T115 P246 Q247 R252 R253 L254 I271 I283 | E111-F250 HydrophobicContact CG-CE1 4.35Å; T115-F250 HydrophobicContact CG2-CE1 4.26Å; T115-F250 HydrophobicContact CG2-CE2 4.29Å; T115-F250 HydrophobicContact CG2-CZ 3.68Å; P246-F250 VanDerWaalsContact O-CD2 3.29Å; P246-F250 WeakPolarHBondContact O-CD2 3.43Å; P246-F250 PolarHBondContact O-N 3.4Å; Q247-F250 PolarHBondContact O-N 3.3Å; F250-R252 VanDerWaalsContact C-N 3.29Å; F250-R252 PolarHBondContact O-N 2.66Å; F250-R253 WeakPolarHBondContact O-CB 3.34Å; F250-R253 PolarHBondContact O-N 3.27Å; F250-R253 VanDerWaalsContact O-N 3.11Å; F250-L254 WeakPolarHBondContact O-CG 3.41Å; F250-L254 PolarHBondContact O-N 3.3Å; F250-I271 HydrophobicContact CB-CG2 4.19Å; F250-I271 HydrophobicContact CD1-CD1 4.2Å; F250-I271 HydrophobicContact CD1-CG1 4.15Å; F250-I271 HydrophobicContact CD1-CG2 3.97Å; F250-I271 HydrophobicContact CG-CG2 4.4Å; F250-I283 HydrophobicContact CB-CD1 3.64Å; F250-I283 HydrophobicContact CB-CG1 4.07Å; F250-I283 HydrophobicContact CB-CG2 4.26Å; F250-I283 HydrophobicContact CD2-CD1 4.11Å; F250-I283 HydrophobicContact CG-CD1 4.08Å |
| 251 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -40.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q247 Y249 H255 I283 M286 Y287 | Q247-A251 PolarHBondContact O-N 2.98Å; Y249-A251 PolarHBondContact O-N 3.17Å; A251-H255 WeakPolarHBondContact O-CB 3.48Å; A251-H255 PolarHBondContact O-N 3.03Å; A251-I283 HydrophobicContact CB-CG2 4.3Å; A251-M286 HydrophobicContact CB-CB 4.17Å; A251-Y287 HydrophobicContact CB-CD2 4.25Å; A251-Y287 WeakPolarHBondContact O-CD2 3.48Å |
| 252 | R | 98.7 | Very high | 96.7 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 173 | -74.1 | 177.9 | -178.2 | 98.3 | -2.6 | 113 | L248 Y249 F250 K256 K290 Y291 | L248-R252 VanDerWaalsContact CD2-NH1 3.28Å; L248-R252 VanDerWaalsContact O-CG 3.31Å; L248-R252 WeakPolarHBondContact O-CG 3.37Å; L248-R252 PolarHBondContact O-N 3.34Å; L248-R252 VanDerWaalsContact O-N 3.13Å; L248-R252 PolarHBondContact O-NH1 3.33Å; Y249-R252 WeakPolarHBondContact O-CB 3.29Å; Y249-R252 PolarHBondContact O-N 2.65Å; Y249-R252 VanDerWaalsContact O-N 3.16Å; F250-R252 VanDerWaalsContact C-N 3.29Å; F250-R252 PolarHBondContact O-N 2.66Å; R252-K256 WeakPolarHBondContact O-CB 3.46Å; R252-K256 PolarHBondContact O-N 3.06Å; R252-K290 HydrophobicContact CG-CD 3.88Å; R252-Y291 WeakPolarHBondContact CA-OH 3.4Å; R252-Y291 WeakPolarHBondContact CG-OH 3.27Å |
| 253 | R | 98.6 | Very high | 96.6 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 9% | 0.087 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63 | -49.1 | 176.1 | -75.2 | -70.1 | -46.5 | 161.6 | 18.6 | 111.5 | E111 Y249 F250 H255 K256 A257 T267 I271 | E111-R253 IonicContact OE2-CZ 3.13Å; E111-R253 IonicContact OE2-NE 3.4Å; E111-R253 PolarHBondContact OE2-NE 2.88Å; E111-R253 IonicContact OE2-NH2 2.65Å; Y249-R253 HydrophobicContact CD1-CG 4.42Å; Y249-R253 HydrophobicContact CE1-CG 3.87Å; Y249-R253 HydrophobicContact CE2-CG 4.28Å; Y249-R253 PolarHBondContact O-N 3.46Å; F250-R253 WeakPolarHBondContact O-CB 3.34Å; F250-R253 PolarHBondContact O-N 3.27Å; F250-R253 VanDerWaalsContact O-N 3.11Å; R253-H255 VanDerWaalsContact C-N 3.33Å; R253-H255 PolarHBondContact O-N 3.22Å; R253-K256 PolarHBondContact O-N 2.92Å; R253-A257 PolarHBondContact O-N 3.01Å; R253-T267 VanDerWaalsContact NH2-CG2 3.29Å; R253-T267 PolarHBondContact NH2-OG1 3.07Å; R253-I271 HydrophobicContact CB-CD1 3.39Å; R253-I271 HydrophobicContact CG-CD1 4.24Å |
| 254 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 176.8 | -71.4 | 170.3 | 0 | 0 | 0 | 111.7 | F250 A257 M258 L268 I271 I272 I283 Y287 L295 | F250-L254 WeakPolarHBondContact O-CG 3.41Å; F250-L254 PolarHBondContact O-N 3.3Å; L254-A257 PolarHBondContact O-N 3.36Å; L254-M258 HydrophobicContact CB-CE 4.37Å; L254-M258 VanDerWaalsContact O-CE 3.29Å; L254-M258 WeakPolarHBondContact O-CE 3.35Å; L254-M258 PolarHBondContact O-N 2.65Å; L254-L268 HydrophobicContact CD2-CD2 3.58Å; L254-I271 HydrophobicContact CD1-CG2 4Å; L254-I271 HydrophobicContact CD2-CB 3.83Å; L254-I271 HydrophobicContact CD2-CD1 4.21Å; L254-I271 HydrophobicContact CD2-CG2 3.77Å; L254-I271 HydrophobicContact CG-CB 4.35Å; L254-I271 HydrophobicContact CG-CD1 4.25Å; L254-I271 HydrophobicContact CG-CG2 3.83Å; L254-I272 HydrophobicContact CD2-CD1 4.45Å; L254-I272 HydrophobicContact CD2-CG1 4.07Å; L254-I283 HydrophobicContact CD1-CG2 3.69Å; L254-Y287 HydrophobicContact CB-CD2 4.26Å; L254-Y287 HydrophobicContact CB-CE2 4.11Å; L254-L295 HydrophobicContact CB-CD1 4.22Å; L254-L295 HydrophobicContact CD1-CD1 3.97Å; L254-L295 HydrophobicContact CD1-CD2 3.79Å |
| 255 | H | 98.6 | Very high | 96.7 | Very high | 42 Ų | 42 | 45 Ų | 45 | 19% | 0.194 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 176.7 | -178.8 | 77 | 0 | 0 | 0 | 111.5 | A251 R253 A257 M258 K259 Y287 Y291 | A251-H255 WeakPolarHBondContact O-CB 3.48Å; A251-H255 PolarHBondContact O-N 3.03Å; R253-H255 VanDerWaalsContact C-N 3.33Å; R253-H255 PolarHBondContact O-N 3.22Å; H255-A257 VanDerWaalsContact C-N 3.27Å; H255-A257 PolarHBondContact O-N 3.37Å; H255-M258 PolarHBondContact O-N 3.44Å; H255-M258 VanDerWaalsContact O-N 3.17Å; H255-K259 WeakPolarHBondContact O-CB 3.42Å; H255-K259 PolarHBondContact O-N 3.29Å; H255-Y287 HydrophobicContact CB-CE2 3.65Å; H255-Y287 AromaticContact ND1-CZ 3.93Å; H255-Y287 PolarHBondContact ND1-OH 2.85Å; H255-Y291 HydrophobicContact CB-CD2 4Å; H255-Y291 HydrophobicContact CB-CE1 4.11Å; H255-Y291 HydrophobicContact CB-CE2 3.36Å; H255-Y291 VanDerWaalsContact CB-CZ 3.42Å; H255-Y291 AromaticContact CD2-CE1 3.44Å; H255-Y291 VanDerWaalsContact CD2-CE1 3.44Å; H255-Y291 WeakPolarHBondContact CD2-CE1 3.39Å; H255-Y291 AromaticContact CD2-CZ 3.62Å; H255-Y291 AromaticContact CE1-CD1 3.8Å; H255-Y291 AromaticContact CE1-CE1 4Å; H255-Y291 AromaticContact CG-CD1 3.92Å; H255-Y291 AromaticContact CG-CE1 3.55Å; H255-Y291 AromaticContact CG-CE2 3.68Å; H255-Y291 AromaticContact CG-CZ 3.42Å; H255-Y291 VanDerWaalsContact CG-CZ 3.42Å; H255-Y291 AromaticContact ND1-CD1 3.78Å; H255-Y291 AromaticContact ND1-CE1 3.91Å; H255-Y291 AromaticContact ND1-CG 3.84Å; H255-Y291 AromaticContact NE2-CD1 3.95Å; H255-Y291 AromaticContact NE2-CE1 3.74Å |
| 256 | K | 98.2 | Very high | 96.8 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.2 | -38.7 | 176.6 | -173.9 | -176 | 174.9 | -168.1 | 0 | 111.8 | R252 R253 M258 K259 | R252-K256 WeakPolarHBondContact O-CB 3.46Å; R252-K256 PolarHBondContact O-N 3.06Å; R253-K256 PolarHBondContact O-N 2.92Å; K256-M258 PolarHBondContact O-N 3.39Å; K256-K259 PolarHBondContact O-N 3.27Å |
| 257 | A | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -25.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R253 L254 H255 T263 D264 T267 L268 | R253-A257 PolarHBondContact O-N 3.01Å; L254-A257 PolarHBondContact O-N 3.36Å; H255-A257 VanDerWaalsContact C-N 3.27Å; H255-A257 PolarHBondContact O-N 3.37Å; A257-T263 CarbonylContact O-C 3.44Å; A257-T263 WeakPolarHBondContact O-CA 3.42Å; A257-D264 HydrophobicContact CB-CB 3.96Å; A257-D264 PolarHBondContact O-N 3.24Å; A257-T267 HydrophobicContact CB-CG2 3.84Å; A257-L268 HydrophobicContact CB-CD2 3.97Å; A257-L268 HydrophobicContact CB-CG 4.11Å |
| 258 | M | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -102 | -10.7 | -179.8 | -82 | -176.8 | -61 | 0 | 0 | 113.7 | L254 H255 K256 T263 L268 Y287 L295 A298 I299 E302 | L254-M258 HydrophobicContact CB-CE 4.37Å; L254-M258 VanDerWaalsContact O-CE 3.29Å; L254-M258 WeakPolarHBondContact O-CE 3.35Å; L254-M258 PolarHBondContact O-N 2.65Å; H255-M258 PolarHBondContact O-N 3.44Å; H255-M258 VanDerWaalsContact O-N 3.17Å; K256-M258 PolarHBondContact O-N 3.39Å; M258-T263 HydrophobicContact CG-CG2 4.37Å; M258-L268 HydrophobicContact CE-CD2 4.27Å; M258-L268 HydrophobicContact CG-CD1 3.88Å; M258-L268 HydrophobicContact CG-CD2 3.99Å; M258-L268 HydrophobicContact CG-CG 4.41Å; M258-L268 HydrophobicContact SD-CD1 4.33Å; M258-L268 HydrophobicContact SD-CD2 4.22Å; M258-Y287 HydrophobicContact CE-CE2 3.96Å; M258-L295 HydrophobicContact CE-CD1 3.67Å; M258-A298 HydrophobicContact CE-CB 3.77Å; M258-A298 HydrophobicContact SD-CB 3.88Å; M258-I299 HydrophobicContact SD-CG1 3.96Å; M258-E302 HydrophobicContact CB-CB 4.33Å; M258-E302 HydrophobicContact CB-CG 3.93Å; M258-E302 HydrophobicContact CG-CB 4Å; M258-E302 HydrophobicContact CG-CG 4.13Å; M258-E302 HydrophobicContact SD-CB 4.37Å |
| 259 | K | 94.8 | Very high | 97 | Very high | 151 Ų | 151 | 41.6 Ų | 41.6 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -87.8 | 119.5 | -172.7 | -177.3 | -175.1 | -174.5 | 171 | 0 | 110.9 | H255 K256 | H255-K259 WeakPolarHBondContact O-CB 3.42Å; H255-K259 PolarHBondContact O-N 3.29Å; K256-K259 PolarHBondContact O-N 3.27Å |
| 260 | G | 91.1 | Very high | 97 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 58% | 0.577 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 119.6 | -152.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 261 | A | 89 | Confident | 97 | Very high | 116 Ų | 116 | 41 Ų | 41 | 96% | 0.959 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -86.6 | 116.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 262 | G | 92.3 | Very high | 96.9 | Very high | 55 Ų | 55 | 41 Ų | 41 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 85.6 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 263 | T | 96.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | trans | -128.8 | 142.5 | -174 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | A257 M258 E265 L268 E302 | A257-T263 CarbonylContact O-C 3.44Å; A257-T263 WeakPolarHBondContact O-CA 3.42Å; M258-T263 HydrophobicContact CG-CG2 4.37Å; T263-E265 HydrophobicContact CG2-CG 4.07Å; T263-E265 PolarHBondContact O-N 3.41Å; T263-L268 HydrophobicContact CG2-CD1 3.39Å; T263-L268 HydrophobicContact CG2-CG 4.24Å; T263-E302 PolarHBondContact OG1-O 3.37Å | ||
| 264 | D | 97.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 39 Ų | 39 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | trans | -89.2 | 84.2 | 167.2 | 175.2 | -4 | 0 | 0 | 0 | 108 | A257 D266 T267 L268 | A257-D264 HydrophobicContact CB-CB 3.96Å; A257-D264 PolarHBondContact O-N 3.24Å; D264-D266 VanDerWaalsContact C-N 3.29Å; D264-D266 PolarHBondContact O-N 3.4Å; D264-T267 VanDerWaalsContact CG-CB 3.46Å; D264-T267 VanDerWaalsContact CG-OG1 3.25Å; D264-T267 PolarHBondContact O-N 3.04Å; D264-T267 WeakPolarHBondContact OD1-CB 3.46Å; D264-T267 PolarHBondContact OD1-N 3.09Å; D264-T267 PolarHBondContact OD1-OG1 2.82Å; D264-T267 VanDerWaalsContact OD2-CB 3.27Å; D264-T267 WeakPolarHBondContact OD2-CB 3.42Å; D264-T267 PolarHBondContact OD2-OG1 3.35Å; D264-L268 PolarHBondContact O-N 3.49Å; D264-L268 VanDerWaalsContact O-N 3.13Å | ||
| 265 | E | 97.9 | Very high | 96.7 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -30 | -175.6 | -61.6 | 96.5 | 159.8 | 0 | 0 | 112.9 | N75 T263 L268 I269 F307 | N75-E265 HydrophobicContact CB-CB 4.32Å; N75-E265 HydrophobicContact CB-CG 4.42Å; N75-E265 WeakPolarHBondContact ND2-CG 3.35Å; N75-E265 PolarHBondContact ND2-OE1 2.96Å; T263-E265 HydrophobicContact CG2-CG 4.07Å; T263-E265 PolarHBondContact O-N 3.41Å; E265-L268 PolarHBondContact O-N 2.86Å; E265-I269 WeakPolarHBondContact O-CB 3.06Å; E265-I269 WeakPolarHBondContact O-CD1 3.45Å; E265-I269 WeakPolarHBondContact O-CG1 3.09Å; E265-I269 PolarHBondContact O-N 3.18Å; E265-F307 HydrophobicContact CB-CE1 4Å; E265-F307 HydrophobicContact CB-CZ 3.86Å; E265-F307 HydrophobicContact CG-CD1 4.44Å; E265-F307 HydrophobicContact CG-CE1 3.58Å; E265-F307 HydrophobicContact CG-CZ 4Å |
| 266 | D | 97.6 | Very high | 96.6 | Very high | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.8 | -83.4 | -0.2 | 0 | 0 | 0 | 110.7 | K97 D264 R270 | K97-D266 IonicContact NZ-OD1 3.88Å; K97-D266 IonicContact NZ-OD2 2.65Å; K97-D266 PolarHBondContact NZ-OD2 2.88Å; D264-D266 VanDerWaalsContact C-N 3.29Å; D264-D266 PolarHBondContact O-N 3.4Å; D266-R270 VanDerWaalsContact O-CB 3.31Å; D266-R270 WeakPolarHBondContact O-CB 3.38Å; D266-R270 PolarHBondContact O-N 2.65Å |
| 267 | T | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 173.2 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | R253 A257 D264 R270 I271 | R253-T267 VanDerWaalsContact NH2-CG2 3.29Å; R253-T267 PolarHBondContact NH2-OG1 3.07Å; A257-T267 HydrophobicContact CB-CG2 3.84Å; D264-T267 VanDerWaalsContact CG-CB 3.46Å; D264-T267 VanDerWaalsContact CG-OG1 3.25Å; D264-T267 PolarHBondContact O-N 3.04Å; D264-T267 WeakPolarHBondContact OD1-CB 3.46Å; D264-T267 PolarHBondContact OD1-N 3.09Å; D264-T267 PolarHBondContact OD1-OG1 2.82Å; D264-T267 VanDerWaalsContact OD2-CB 3.27Å; D264-T267 WeakPolarHBondContact OD2-CB 3.42Å; D264-T267 PolarHBondContact OD2-OG1 3.35Å; T267-R270 PolarHBondContact O-N 3.41Å; T267-R270 PolarHBondContact OG1-NH2 2.76Å; T267-R270 VanDerWaalsContact OG1-NH2 3.14Å; T267-I271 HydrophobicContact CG2-CD1 3.58Å; T267-I271 HydrophobicContact CG2-CG1 4.28Å; T267-I271 WeakPolarHBondContact O-CG1 3.33Å; T267-I271 PolarHBondContact O-N 2.96Å |
| 268 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 177.8 | -74.3 | -173.6 | 0 | 0 | 0 | 111.7 | L254 A257 M258 T263 D264 E265 I272 L311 | L254-L268 HydrophobicContact CD2-CD2 3.58Å; A257-L268 HydrophobicContact CB-CD2 3.97Å; A257-L268 HydrophobicContact CB-CG 4.11Å; M258-L268 HydrophobicContact CE-CD2 4.27Å; M258-L268 HydrophobicContact CG-CD1 3.88Å; M258-L268 HydrophobicContact CG-CD2 3.99Å; M258-L268 HydrophobicContact CG-CG 4.41Å; M258-L268 HydrophobicContact SD-CD1 4.33Å; M258-L268 HydrophobicContact SD-CD2 4.22Å; T263-L268 HydrophobicContact CG2-CD1 3.39Å; T263-L268 HydrophobicContact CG2-CG 4.24Å; D264-L268 PolarHBondContact O-N 3.49Å; D264-L268 VanDerWaalsContact O-N 3.13Å; E265-L268 PolarHBondContact O-N 2.86Å; L268-I272 VanDerWaalsContact O-CB 3.24Å; L268-I272 WeakPolarHBondContact O-CB 3.15Å; L268-I272 VanDerWaalsContact O-CG1 3.29Å; L268-I272 WeakPolarHBondContact O-CG1 3.34Å; L268-I272 PolarHBondContact O-N 2.91Å; L268-L311 HydrophobicContact CB-CD1 4.48Å; L268-L311 HydrophobicContact CD1-CD1 4.37Å |
| 269 | I | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -52.5 | 177.8 | -70.4 | 165.2 | 0 | 0 | 0 | 109.3 | N78 A79 A82 E265 I271 I272 V273 F307 | N78-I269 HydrophobicContact CB-CD1 3.82Å; A79-I269 HydrophobicContact CB-CD1 4.09Å; A79-I269 HydrophobicContact CB-CG1 3.9Å; A79-I269 HydrophobicContact CB-CG2 4.41Å; A82-I269 HydrophobicContact CB-CG2 3.64Å; E265-I269 WeakPolarHBondContact O-CB 3.06Å; E265-I269 WeakPolarHBondContact O-CD1 3.45Å; E265-I269 WeakPolarHBondContact O-CG1 3.09Å; E265-I269 PolarHBondContact O-N 3.18Å; I269-I271 PolarHBondContact O-N 2.65Å; I269-I272 PolarHBondContact O-N 3.5Å; I269-V273 HydrophobicContact CG2-CG2 4.19Å; I269-V273 VanDerWaalsContact O-CB 3.24Å; I269-V273 WeakPolarHBondContact O-CB 3.48Å; I269-V273 VanDerWaalsContact O-CG2 3.25Å; I269-V273 WeakPolarHBondContact O-CG2 3.43Å; I269-V273 PolarHBondContact O-N 3.35Å; I269-F307 HydrophobicContact CD1-CE2 3.78Å; I269-F307 HydrophobicContact CD1-CZ 4.19Å; I269-F307 HydrophobicContact CG1-CE2 3.52Å; I269-F307 HydrophobicContact CG1-CZ 3.89Å |
| 270 | R | 98.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | -174.8 | -174.5 | 175.1 | 60.6 | -99.4 | -9.3 | 112.9 | Y90 E94 E111 D266 T267 C274 | Y90-R270 HydrophobicContact CE1-CB 4.16Å; Y90-R270 HydrophobicContact CE1-CG 4.09Å; E94-R270 HydrophobicContact CG-CG 4.41Å; E94-R270 IonicContact OE2-NH1 2.86Å; E94-R270 PolarHBondContact OE2-NH1 3.31Å; E111-R270 VanDerWaalsContact CD-NH2 3.32Å; E111-R270 IonicContact OE1-CZ 3.83Å; E111-R270 IonicContact OE1-NE 2.84Å; E111-R270 PolarHBondContact OE1-NE 3.09Å; E111-R270 IonicContact OE1-NH2 3.32Å; E111-R270 PolarHBondContact OE1-NH2 3.45Å; E111-R270 VanDerWaalsContact OE1-NH2 3.1Å; E111-R270 IonicContact OE2-NH2 2.74Å; E111-R270 PolarHBondContact OE2-NH2 3.08Å; D266-R270 VanDerWaalsContact O-CB 3.31Å; D266-R270 WeakPolarHBondContact O-CB 3.38Å; D266-R270 PolarHBondContact O-N 2.65Å; T267-R270 PolarHBondContact O-N 3.41Å; T267-R270 PolarHBondContact OG1-NH2 2.76Å; T267-R270 VanDerWaalsContact OG1-NH2 3.14Å; R270-C274 WeakPolarHBondContact O-CB 3.26Å; R270-C274 PolarHBondContact O-N 2.57Å; R270-C274 PolarHBondContact O-SG 3.17Å |
| 271 | I | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.1 | -49.2 | 179.8 | -62.9 | 173.8 | 0 | 0 | 0 | 110.9 | E111 F250 R253 L254 T267 I269 V273 R275 | E111-I271 WeakPolarHBondContact OE1-CG1 3.26Å; F250-I271 HydrophobicContact CB-CG2 4.19Å; F250-I271 HydrophobicContact CD1-CD1 4.2Å; F250-I271 HydrophobicContact CD1-CG1 4.15Å; F250-I271 HydrophobicContact CD1-CG2 3.97Å; F250-I271 HydrophobicContact CG-CG2 4.4Å; R253-I271 HydrophobicContact CB-CD1 3.39Å; R253-I271 HydrophobicContact CG-CD1 4.24Å; L254-I271 HydrophobicContact CD1-CG2 4Å; L254-I271 HydrophobicContact CD2-CB 3.83Å; L254-I271 HydrophobicContact CD2-CD1 4.21Å; L254-I271 HydrophobicContact CD2-CG2 3.77Å; L254-I271 HydrophobicContact CG-CB 4.35Å; L254-I271 HydrophobicContact CG-CD1 4.25Å; L254-I271 HydrophobicContact CG-CG2 3.83Å; T267-I271 HydrophobicContact CG2-CD1 3.58Å; T267-I271 HydrophobicContact CG2-CG1 4.28Å; T267-I271 WeakPolarHBondContact O-CG1 3.33Å; T267-I271 PolarHBondContact O-N 2.96Å; I269-I271 PolarHBondContact O-N 2.65Å; I271-V273 VanDerWaalsContact C-N 3.34Å; I271-V273 PolarHBondContact O-N 3.09Å; I271-R275 HydrophobicContact CG2-CG 4.03Å; I271-R275 VanDerWaalsContact O-CB 3.24Å; I271-R275 WeakPolarHBondContact O-CB 3.06Å; I271-R275 WeakPolarHBondContact O-CG 3.26Å; I271-R275 PolarHBondContact O-N 2.84Å |
| 272 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | -176.1 | -69.8 | 170.2 | 0 | 0 | 0 | 110.4 | L254 L268 I269 S276 L280 I299 L311 I314 | L254-I272 HydrophobicContact CD2-CD1 4.45Å; L254-I272 HydrophobicContact CD2-CG1 4.07Å; L268-I272 VanDerWaalsContact O-CB 3.24Å; L268-I272 WeakPolarHBondContact O-CB 3.15Å; L268-I272 VanDerWaalsContact O-CG1 3.29Å; L268-I272 WeakPolarHBondContact O-CG1 3.34Å; L268-I272 PolarHBondContact O-N 2.91Å; I269-I272 PolarHBondContact O-N 3.5Å; I272-S276 VanDerWaalsContact O-CB 3.25Å; I272-S276 WeakPolarHBondContact O-CB 3.38Å; I272-S276 PolarHBondContact O-N 2.78Å; I272-S276 VanDerWaalsContact O-N 3.14Å; I272-L280 HydrophobicContact CG2-CD2 4.01Å; I272-I299 HydrophobicContact CD1-CD1 3.83Å; I272-L311 HydrophobicContact CB-CD2 4.39Å; I272-L311 HydrophobicContact CD1-CB 4.33Å; I272-L311 HydrophobicContact CD1-CD1 3.95Å; I272-L311 HydrophobicContact CD1-CD2 3.88Å; I272-L311 HydrophobicContact CD1-CG 4.27Å; I272-L311 HydrophobicContact CG2-CD2 4.12Å; I272-I314 HydrophobicContact CG2-CB 3.97Å; I272-I314 HydrophobicContact CG2-CD1 3.94Å; I272-I314 HydrophobicContact CG2-CG2 3.6Å |
| 273 | V | 96.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.036 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.1 | -52.9 | 179.5 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | A82 M83 I269 I271 R275 S276 | A82-V273 HydrophobicContact CB-CG1 4.35Å; A82-V273 HydrophobicContact CB-CG2 4.24Å; M83-V273 HydrophobicContact CG-CB 4.5Å; M83-V273 HydrophobicContact CG-CG1 4.01Å; M83-V273 HydrophobicContact CG-CG2 3.68Å; I269-V273 HydrophobicContact CG2-CG2 4.19Å; I269-V273 VanDerWaalsContact O-CB 3.24Å; I269-V273 WeakPolarHBondContact O-CB 3.48Å; I269-V273 VanDerWaalsContact O-CG2 3.25Å; I269-V273 WeakPolarHBondContact O-CG2 3.43Å; I269-V273 PolarHBondContact O-N 3.35Å; I271-V273 VanDerWaalsContact C-N 3.34Å; I271-V273 PolarHBondContact O-N 3.09Å; V273-R275 VanDerWaalsContact C-N 3.29Å; V273-R275 PolarHBondContact O-N 3.49Å; V273-S276 PolarHBondContact O-N 3.33Å; V273-S276 PolarHBondContact O-OG 2.64Å |
| 274 | C | 96.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 26 Ų | 26 | 23% | 0.23 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.4 | -26.9 | -175.1 | -69.4 | 0 | 0 | 0 | 0 | 113.8 | R270 | R270-C274 WeakPolarHBondContact O-CB 3.26Å; R270-C274 PolarHBondContact O-N 2.57Å; R270-C274 PolarHBondContact O-SG 3.17Å |
| 275 | R | 97.3 | Very high | 97.7 | Very high | 40 Ų | 40 | 27 Ų | 27 | 15% | 0.151 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -96.4 | -11.8 | -178.1 | -52.9 | -53.6 | -71.6 | -166.2 | -10.3 | 113.6 | I271 V273 E277 F278 D279 L280 I283 | I271-R275 HydrophobicContact CG2-CG 4.03Å; I271-R275 VanDerWaalsContact O-CB 3.24Å; I271-R275 WeakPolarHBondContact O-CB 3.06Å; I271-R275 WeakPolarHBondContact O-CG 3.26Å; I271-R275 PolarHBondContact O-N 2.84Å; V273-R275 VanDerWaalsContact C-N 3.29Å; V273-R275 PolarHBondContact O-N 3.49Å; R275-E277 VanDerWaalsContact C-N 3.3Å; R275-E277 PolarHBondContact O-N 3.11Å; R275-F278 PolarHBondContact O-N 2.97Å; R275-D279 IonicContact CZ-OD1 3.77Å; R275-D279 VanDerWaalsContact CZ-OD1 3.29Å; R275-D279 IonicContact CZ-OD2 3.27Å; R275-D279 IonicContact NE-OD1 2.66Å; R275-D279 PolarHBondContact NE-OD1 3.45Å; R275-D279 IonicContact NE-OD2 3.68Å; R275-D279 IonicContact NH2-OD1 3.8Å; R275-D279 PolarHBondContact NH2-OD1 3.39Å; R275-D279 VanDerWaalsContact NH2-OD1 3.17Å; R275-D279 IonicContact NH2-OD2 3.43Å; R275-D279 PolarHBondContact NH2-OD2 2.87Å; R275-D279 PolarHBondContact O-N 3.45Å; R275-L280 HydrophobicContact CB-CB 4.32Å; R275-L280 HydrophobicContact CB-CD1 4.5Å; R275-L280 WeakPolarHBondContact O-CB 3.33Å; R275-L280 PolarHBondContact O-N 3.21Å; R275-I283 HydrophobicContact CB-CD1 3.79Å; R275-I283 HydrophobicContact CG-CD1 3.82Å |
| 276 | S | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -38.6 | -174.8 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | P6 T7 V8 I272 V273 | P6-S276 WeakPolarHBondContact CA-O 3.42Å; P6-S276 WeakPolarHBondContact CB-O 3.49Å; T7-S276 PolarHBondContact N-O 3.35Å; T7-S276 PolarHBondContact OG1-O 3.04Å; V8-S276 PolarHBondContact N-O 3.35Å; I272-S276 VanDerWaalsContact O-CB 3.25Å; I272-S276 WeakPolarHBondContact O-CB 3.38Å; I272-S276 PolarHBondContact O-N 2.78Å; I272-S276 VanDerWaalsContact O-N 3.14Å; V273-S276 PolarHBondContact O-N 3.33Å; V273-S276 PolarHBondContact O-OG 2.64Å |
| 277 | E | 96.9 | Very high | 97.8 | Very high | 63 Ų | 63 | 23.2 Ų | 23.2 | 29% | 0.294 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 12.4 | -179.7 | -70.4 | 178.4 | -134.3 | 0 | 0 | 113.3 | P6 V8 S45 S46 R49 R275 | P6-E277 VanDerWaalsContact CB-C 3.42Å; V8-E277 HydrophobicContact CB-CG 3.89Å; V8-E277 HydrophobicContact CG1-CG 3.95Å; S45-E277 WeakPolarHBondContact CA-OE1 3.04Å; S46-E277 WeakPolarHBondContact CA-OE1 3.46Å; S46-E277 WeakPolarHBondContact CB-OE1 3.35Å; S46-E277 VanDerWaalsContact N-CD 3.3Å; S46-E277 PolarHBondContact N-OE1 2.99Å; S46-E277 PolarHBondContact N-OE2 3.16Å; S46-E277 VanDerWaalsContact N-OE2 3.17Å; R49-E277 IonicContact CZ-OE1 2.65Å; R49-E277 IonicContact NH2-OE1 3.77Å; R49-E277 PolarHBondContact NH2-OE1 3.26Å; R275-E277 VanDerWaalsContact C-N 3.3Å; R275-E277 PolarHBondContact O-N 3.11Å |
| 278 | F | 95.8 | Very high | 97.8 | Very high | 110 Ų | 110 | 27 Ų | 27 | 48% | 0.482 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -66.7 | -179.1 | -175.8 | -118.4 | 0 | 0 | 0 | 113.3 | Q5 R275 | Q5-F278 CarbonylContact C-O 3.53Å; R275-F278 PolarHBondContact O-N 2.97Å |
| 279 | D | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.8 | 18.9 | -170.1 | 70.1 | -12.4 | 0 | 0 | 0 | 114.6 | C4 Q5 Q247 R275 E281 T282 I283 | C4-D279 HydrophobicContact CB-CB 3.94Å; Q5-D279 CarbonylContact O-C 3.36Å; Q5-D279 WeakPolarHBondContact O-CA 3.41Å; Q247-D279 HydrophobicContact CG-CB 4.31Å; Q247-D279 WeakPolarHBondContact CG-OD2 3.25Å; Q247-D279 PolarHBondContact NE2-OD2 3.29Å; R275-D279 IonicContact CZ-OD1 3.77Å; R275-D279 VanDerWaalsContact CZ-OD1 3.29Å; R275-D279 IonicContact CZ-OD2 3.27Å; R275-D279 IonicContact NE-OD1 2.66Å; R275-D279 PolarHBondContact NE-OD1 3.45Å; R275-D279 IonicContact NE-OD2 3.68Å; R275-D279 IonicContact NH2-OD1 3.8Å; R275-D279 PolarHBondContact NH2-OD1 3.39Å; R275-D279 VanDerWaalsContact NH2-OD1 3.17Å; R275-D279 IonicContact NH2-OD2 3.43Å; R275-D279 PolarHBondContact NH2-OD2 2.87Å; R275-D279 PolarHBondContact O-N 3.45Å; D279-E281 PolarHBondContact O-N 3.45Å; D279-T282 PolarHBondContact O-N 3.19Å; D279-T282 VanDerWaalsContact O-N 3.12Å; D279-I283 WeakPolarHBondContact O-CG1 3.31Å; D279-I283 PolarHBondContact O-N 3.27Å; D279-I283 VanDerWaalsContact OD1-CD1 3.28Å; D279-I283 WeakPolarHBondContact OD1-CD1 3.43Å |
| 280 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -30.9 | -178.3 | -172.7 | 60.8 | 0 | 0 | 0 | 113.2 | Q5 T7 I272 R275 I283 K284 L295 I314 | Q5-L280 PolarHBondContact O-N 2.95Å; T7-L280 HydrophobicContact CG2-CB 3.88Å; T7-L280 HydrophobicContact CG2-CD2 4.09Å; T7-L280 HydrophobicContact CG2-CG 3.92Å; T7-L280 WeakPolarHBondContact OG1-CD2 3.5Å; I272-L280 HydrophobicContact CG2-CD2 4.01Å; R275-L280 HydrophobicContact CB-CB 4.32Å; R275-L280 HydrophobicContact CB-CD1 4.5Å; R275-L280 WeakPolarHBondContact O-CB 3.33Å; R275-L280 PolarHBondContact O-N 3.21Å; L280-I283 HydrophobicContact CD1-CB 4.35Å; L280-I283 HydrophobicContact CD1-CG2 4.4Å; L280-I283 PolarHBondContact O-N 2.96Å; L280-K284 WeakPolarHBondContact O-CG 3.45Å; L280-K284 PolarHBondContact O-N 3.03Å; L280-L295 HydrophobicContact CD1-CD2 4.32Å; L280-I314 HydrophobicContact CD2-CG2 4.04Å |
| 281 | E | 98 | Very high | 97.7 | Very high | 52 Ų | 52 | 40 Ų | 40 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | 175.1 | -168.2 | 64.3 | -148.8 | 0 | 0 | 110.3 | Q5 T7 D279 I283 K284 D285 | Q5-E281 HydrophobicContact CB-CB 3.78Å; Q5-E281 HydrophobicContact CB-CG 4.26Å; Q5-E281 WeakPolarHBondContact O-CA 3.27Å; Q5-E281 WeakPolarHBondContact O-CB 3.46Å; Q5-E281 PolarHBondContact O-N 3.32Å; T7-E281 HydrophobicContact CG2-CB 4.23Å; T7-E281 WeakPolarHBondContact CG2-OE2 3.46Å; D279-E281 PolarHBondContact O-N 3.45Å; E281-I283 VanDerWaalsContact C-N 3.29Å; E281-I283 PolarHBondContact O-N 3.03Å; E281-K284 VanDerWaalsContact O-CB 3.31Å; E281-K284 WeakPolarHBondContact O-CB 3.5Å; E281-K284 PolarHBondContact O-N 3.49Å; E281-K284 VanDerWaalsContact O-N 3.09Å; E281-K284 IonicContact OE1-NZ 2.81Å; E281-K284 PolarHBondContact OE1-NZ 3.06Å; E281-K284 IonicContact OE2-NZ 3.94Å; E281-K284 PolarHBondContact OE2-NZ 2.87Å; E281-D285 PolarHBondContact O-N 2.87Å; E281-D285 VanDerWaalsContact O-N 3.09Å |
| 282 | T | 97.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -35.1 | 175.4 | -42.7 | 0 | 0 | 0 | 0 | 111.8 | N3 Q5 Q247 D279 K284 D285 M286 | N3-T282 PolarHBondContact O-OG1 3.1Å; Q5-T282 PolarHBondContact N-OG1 2.87Å; Q247-T282 HydrophobicContact CB-CG2 4.27Å; Q247-T282 HydrophobicContact CG-CG2 3.78Å; D279-T282 PolarHBondContact O-N 3.19Å; D279-T282 VanDerWaalsContact O-N 3.12Å; T282-K284 VanDerWaalsContact C-N 3.34Å; T282-D285 PolarHBondContact O-N 3.42Å; T282-M286 VanDerWaalsContact O-CG 3.31Å; T282-M286 WeakPolarHBondContact O-CG 3.3Å; T282-M286 PolarHBondContact O-N 3.05Å |
| 283 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 173.5 | -68.7 | 166.5 | 0 | 0 | 0 | 110.9 | Q247 F250 A251 L254 R275 D279 L280 E281 D285 M286 Y287 | Q247-I283 HydrophobicContact CB-CG1 3.95Å; Q247-I283 HydrophobicContact CG-CG1 4.08Å; F250-I283 HydrophobicContact CB-CD1 3.64Å; F250-I283 HydrophobicContact CB-CG1 4.07Å; F250-I283 HydrophobicContact CB-CG2 4.26Å; F250-I283 HydrophobicContact CD2-CD1 4.11Å; F250-I283 HydrophobicContact CG-CD1 4.08Å; A251-I283 HydrophobicContact CB-CG2 4.3Å; L254-I283 HydrophobicContact CD1-CG2 3.69Å; R275-I283 HydrophobicContact CB-CD1 3.79Å; R275-I283 HydrophobicContact CG-CD1 3.82Å; D279-I283 WeakPolarHBondContact O-CG1 3.31Å; D279-I283 PolarHBondContact O-N 3.27Å; D279-I283 VanDerWaalsContact OD1-CD1 3.28Å; D279-I283 WeakPolarHBondContact OD1-CD1 3.43Å; L280-I283 HydrophobicContact CD1-CB 4.35Å; L280-I283 HydrophobicContact CD1-CG2 4.4Å; L280-I283 PolarHBondContact O-N 2.96Å; E281-I283 VanDerWaalsContact C-N 3.29Å; E281-I283 PolarHBondContact O-N 3.03Å; I283-D285 VanDerWaalsContact C-N 3.34Å; I283-M286 PolarHBondContact O-N 3.03Å; I283-Y287 WeakPolarHBondContact O-CB 3.27Å; I283-Y287 PolarHBondContact O-N 3.21Å |
| 284 | K | 98.3 | Very high | 97.8 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.6 | -72.4 | 163.1 | 47.9 | -170.4 | 0 | 111.2 | T7 L280 E281 T282 Y287 L288 L295 C315 | T7-K284 HydrophobicContact CG2-CD 4.01Å; L280-K284 WeakPolarHBondContact O-CG 3.45Å; L280-K284 PolarHBondContact O-N 3.03Å; E281-K284 VanDerWaalsContact O-CB 3.31Å; E281-K284 WeakPolarHBondContact O-CB 3.5Å; E281-K284 PolarHBondContact O-N 3.49Å; E281-K284 VanDerWaalsContact O-N 3.09Å; E281-K284 IonicContact OE1-NZ 2.81Å; E281-K284 PolarHBondContact OE1-NZ 3.06Å; E281-K284 IonicContact OE2-NZ 3.94Å; E281-K284 PolarHBondContact OE2-NZ 2.87Å; T282-K284 VanDerWaalsContact C-N 3.34Å; K284-Y287 WeakPolarHBondContact O-CB 3.44Å; K284-Y287 PolarHBondContact O-N 3.47Å; K284-L288 PolarHBondContact O-N 3.31Å; K284-L295 HydrophobicContact CG-CB 4.13Å; K284-L295 HydrophobicContact CG-CD2 3.78Å; K284-C315 HydrophobicContact CD-CB 4.41Å; K284-C315 WeakPolarHBondContact CE-O 3.44Å; K284-C315 PolarHBondContact NZ-O 3.34Å |
| 285 | D | 97.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.8 | -69.9 | -21.9 | 0 | 0 | 0 | 111.4 | E281 T282 I283 Y287 L288 E289 | E281-D285 PolarHBondContact O-N 2.87Å; E281-D285 VanDerWaalsContact O-N 3.09Å; T282-D285 PolarHBondContact O-N 3.42Å; I283-D285 VanDerWaalsContact C-N 3.34Å; D285-Y287 VanDerWaalsContact C-N 3.27Å; D285-Y287 PolarHBondContact O-N 2.77Å; D285-L288 PolarHBondContact O-N 3.08Å; D285-E289 WeakPolarHBondContact O-CB 3.36Å; D285-E289 PolarHBondContact O-N 3.2Å |
| 286 | M | 97.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -33.4 | 176.8 | -68.9 | -61.6 | 96.5 | 0 | 0 | 112.7 | N245 Q247 L248 A251 T282 I283 E289 K290 | N245-M286 PolarHBondContact ND2-SD 3.15Å; N245-M286 VanDerWaalsContact ND2-SD 3.42Å; Q247-M286 HydrophobicContact CB-CG 3.74Å; L248-M286 HydrophobicContact CB-CB 4.46Å; L248-M286 HydrophobicContact CB-CG 4.49Å; L248-M286 HydrophobicContact CB-SD 4.48Å; L248-M286 HydrophobicContact CD1-CB 3.89Å; L248-M286 HydrophobicContact CD1-SD 4.4Å; A251-M286 HydrophobicContact CB-CB 4.17Å; T282-M286 VanDerWaalsContact O-CG 3.31Å; T282-M286 WeakPolarHBondContact O-CG 3.3Å; T282-M286 PolarHBondContact O-N 3.05Å; I283-M286 PolarHBondContact O-N 3.03Å; M286-E289 VanDerWaalsContact CE-OE2 3.28Å; M286-E289 WeakPolarHBondContact CE-OE2 3.39Å; M286-K290 WeakPolarHBondContact O-CB 3.35Å; M286-K290 PolarHBondContact O-N 3.45Å; M286-K290 VanDerWaalsContact O-N 3.16Å |
| 287 | Y | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -48.9 | 175 | -168.7 | -72.4 | 0 | 0 | 0 | 110.7 | A251 L254 H255 M258 I283 K284 D285 K290 Y291 V293 L295 A298 | A251-Y287 HydrophobicContact CB-CD2 4.25Å; A251-Y287 WeakPolarHBondContact O-CD2 3.48Å; L254-Y287 HydrophobicContact CB-CD2 4.26Å; L254-Y287 HydrophobicContact CB-CE2 4.11Å; H255-Y287 HydrophobicContact CB-CE2 3.65Å; H255-Y287 AromaticContact ND1-CZ 3.93Å; H255-Y287 PolarHBondContact ND1-OH 2.85Å; M258-Y287 HydrophobicContact CE-CE2 3.96Å; I283-Y287 WeakPolarHBondContact O-CB 3.27Å; I283-Y287 PolarHBondContact O-N 3.21Å; K284-Y287 WeakPolarHBondContact O-CB 3.44Å; K284-Y287 PolarHBondContact O-N 3.47Å; D285-Y287 VanDerWaalsContact C-N 3.27Å; D285-Y287 PolarHBondContact O-N 2.77Å; Y287-K290 PolarHBondContact O-N 3.01Å; Y287-Y291 AromaticContact CD1-CD2 3.88Å; Y287-Y291 HydrophobicContact CD1-CD2 3.88Å; Y287-Y291 HydrophobicContact CD2-CD2 4.03Å; Y287-Y291 HydrophobicContact CD2-CE2 4.19Å; Y287-Y291 AromaticContact CE1-CD2 3.84Å; Y287-Y291 HydrophobicContact CE1-CD2 3.84Å; Y287-Y291 HydrophobicContact CE1-CG 4.37Å; Y287-Y291 HydrophobicContact CE2-CD2 4.04Å; Y287-Y291 HydrophobicContact CE2-CE2 4.21Å; Y287-Y291 AromaticContact CG-CD2 3.95Å; Y287-Y291 HydrophobicContact CG-CD2 3.95Å; Y287-Y291 HydrophobicContact CG-CE2 4.47Å; Y287-Y291 AromaticContact CZ-CD2 3.91Å; Y287-Y291 WeakPolarHBondContact O-CD2 3.46Å; Y287-Y291 PolarHBondContact O-N 3.38Å; Y287-V293 VanDerWaalsContact CD1-O 3.22Å; Y287-V293 WeakPolarHBondContact CD1-O 3.42Å; Y287-V293 WeakPolarHBondContact CE1-O 3.24Å; Y287-L295 HydrophobicContact CD1-CB 4.23Å; Y287-L295 HydrophobicContact CD2-CB 4.49Å; Y287-L295 HydrophobicContact CD2-CD1 3.93Å; Y287-L295 HydrophobicContact CE2-CD1 3.91Å; Y287-L295 HydrophobicContact CG-CB 4.12Å; Y287-L295 HydrophobicContact CG-CD1 4.38Å; Y287-A298 HydrophobicContact CE1-CB 4.19Å; Y287-A298 WeakPolarHBondContact OH-CB 3.37Å |
| 288 | L | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 44% | 0.44 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 178.7 | 177.5 | 61.8 | 0 | 0 | 0 | 111.3 | K284 D285 K290 Y291 D292 | K284-L288 PolarHBondContact O-N 3.31Å; D285-L288 PolarHBondContact O-N 3.08Å; L288-K290 PolarHBondContact O-N 3.48Å; L288-Y291 PolarHBondContact O-N 3.25Å; L288-D292 WeakPolarHBondContact O-CA 3.38Å; L288-D292 PolarHBondContact O-N 2.87Å |
| 289 | E | 98.3 | Very high | 98.1 | Very high | 144 Ų | 144 | 45.1 Ų | 45.1 | 67% | 0.673 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59 | -36 | 178.3 | -174.1 | -176.3 | 163 | 0 | 0 | 112.1 | D285 M286 | D285-E289 WeakPolarHBondContact O-CB 3.36Å; D285-E289 PolarHBondContact O-N 3.2Å; M286-E289 VanDerWaalsContact CE-OE2 3.28Å; M286-E289 WeakPolarHBondContact CE-OE2 3.39Å |
| 290 | K | 98.3 | Very high | 98.2 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82.8 | -33.5 | -175.2 | -174.2 | 166.5 | -174.8 | 64.3 | 0 | 114.3 | L248 R252 M286 Y287 L288 | L248-K290 HydrophobicContact CD1-CB 3.99Å; L248-K290 HydrophobicContact CD1-CD 3.74Å; L248-K290 HydrophobicContact CD1-CG 4.39Å; L248-K290 HydrophobicContact CG-CD 4.27Å; R252-K290 HydrophobicContact CG-CD 3.88Å; M286-K290 WeakPolarHBondContact O-CB 3.35Å; M286-K290 PolarHBondContact O-N 3.45Å; M286-K290 VanDerWaalsContact O-N 3.16Å; Y287-K290 PolarHBondContact O-N 3.01Å; L288-K290 PolarHBondContact O-N 3.48Å |
| 291 | Y | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 56.1 Ų | 56.1 | 21% | 0.212 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -121.1 | -1.2 | -167.5 | -60.2 | -63.6 | 0 | 0 | 0 | 114.4 | R252 H255 Y287 L288 V293 | R252-Y291 WeakPolarHBondContact CA-OH 3.4Å; R252-Y291 WeakPolarHBondContact CG-OH 3.27Å; H255-Y291 HydrophobicContact CB-CD2 4Å; H255-Y291 HydrophobicContact CB-CE1 4.11Å; H255-Y291 HydrophobicContact CB-CE2 3.36Å; H255-Y291 VanDerWaalsContact CB-CZ 3.42Å; H255-Y291 AromaticContact CD2-CE1 3.44Å; H255-Y291 VanDerWaalsContact CD2-CE1 3.44Å; H255-Y291 WeakPolarHBondContact CD2-CE1 3.39Å; H255-Y291 AromaticContact CD2-CZ 3.62Å; H255-Y291 AromaticContact CE1-CD1 3.8Å; H255-Y291 AromaticContact CE1-CE1 4Å; H255-Y291 AromaticContact CG-CD1 3.92Å; H255-Y291 AromaticContact CG-CE1 3.55Å; H255-Y291 AromaticContact CG-CE2 3.68Å; H255-Y291 AromaticContact CG-CZ 3.42Å; H255-Y291 VanDerWaalsContact CG-CZ 3.42Å; H255-Y291 AromaticContact ND1-CD1 3.78Å; H255-Y291 AromaticContact ND1-CE1 3.91Å; H255-Y291 AromaticContact ND1-CG 3.84Å; H255-Y291 AromaticContact NE2-CD1 3.95Å; H255-Y291 AromaticContact NE2-CE1 3.74Å; Y287-Y291 AromaticContact CD1-CD2 3.88Å; Y287-Y291 HydrophobicContact CD1-CD2 3.88Å; Y287-Y291 HydrophobicContact CD2-CD2 4.03Å; Y287-Y291 HydrophobicContact CD2-CE2 4.19Å; Y287-Y291 AromaticContact CE1-CD2 3.84Å; Y287-Y291 HydrophobicContact CE1-CD2 3.84Å; Y287-Y291 HydrophobicContact CE1-CG 4.37Å; Y287-Y291 HydrophobicContact CE2-CD2 4.04Å; Y287-Y291 HydrophobicContact CE2-CE2 4.21Å; Y287-Y291 AromaticContact CG-CD2 3.95Å; Y287-Y291 HydrophobicContact CG-CD2 3.95Å; Y287-Y291 HydrophobicContact CG-CE2 4.47Å; Y287-Y291 AromaticContact CZ-CD2 3.91Å; Y287-Y291 WeakPolarHBondContact O-CD2 3.46Å; Y287-Y291 PolarHBondContact O-N 3.38Å; L288-Y291 PolarHBondContact O-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.46Å |
| 292 | D | 97.9 | Very high | 98 | Very high | 144 Ų | 144 | 57.4 Ų | 57.4 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 55.8 | 22.1 | -178.7 | -60.4 | -56.4 | 0 | 0 | 0 | 113.9 | L288 | L288-D292 WeakPolarHBondContact O-CA 3.38Å; L288-D292 PolarHBondContact O-N 2.87Å |
| 293 | V | 97.9 | Very high | 98 | Very high | 66 Ų | 66 | 57 Ų | 57 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -139.2 | 135.9 | 177 | 176.5 | 0 | 0 | 0 | 0 | 107.5 | Y287 Y291 D297 | Y287-V293 VanDerWaalsContact CD1-O 3.22Å; Y287-V293 WeakPolarHBondContact CD1-O 3.42Å; Y287-V293 WeakPolarHBondContact CE1-O 3.24Å; Y291-V293 PolarHBondContact O-N 3.46Å; V293-D297 HydrophobicContact CG1-CB 3.95Å |
| 294 | S | 98.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | trans | -70.2 | 148.5 | 178.5 | 80.6 | 0 | 0 | 0 | 0 | 110.9 | K296 D297 A298 | S294-K296 PolarHBondContact O-N 2.99Å; S294-D297 PolarHBondContact O-N 3.48Å; S294-D297 PolarHBondContact OG-N 3.19Å; S294-D297 VanDerWaalsContact OG-N 3.1Å; S294-D297 PolarHBondContact OG-OD2 3.46Å; S294-A298 PolarHBondContact O-N 3.02Å | ||
| 295 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.2 | -36.2 | 175 | 177.4 | 60.2 | 0 | 0 | 0 | 111.7 | L254 M258 L280 K284 Y287 A298 I299 | L254-L295 HydrophobicContact CB-CD1 4.22Å; L254-L295 HydrophobicContact CD1-CD1 3.97Å; L254-L295 HydrophobicContact CD1-CD2 3.79Å; M258-L295 HydrophobicContact CE-CD1 3.67Å; L280-L295 HydrophobicContact CD1-CD2 4.32Å; K284-L295 HydrophobicContact CG-CB 4.13Å; K284-L295 HydrophobicContact CG-CD2 3.78Å; Y287-L295 HydrophobicContact CD1-CB 4.23Å; Y287-L295 HydrophobicContact CD2-CB 4.49Å; Y287-L295 HydrophobicContact CD2-CD1 3.93Å; Y287-L295 HydrophobicContact CE2-CD1 3.91Å; Y287-L295 HydrophobicContact CG-CB 4.12Å; Y287-L295 HydrophobicContact CG-CD1 4.38Å; L295-A298 PolarHBondContact O-N 2.89Å; L295-I299 HydrophobicContact CD1-CD1 4.09Å; L295-I299 HydrophobicContact CD1-CG1 4.3Å; L295-I299 HydrophobicContact CG-CD1 3.89Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.31Å; L295-I299 PolarHBondContact O-N 3.42Å |
| 296 | K | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 177.7 | -69.3 | 179 | 74.9 | 179.4 | 0 | 112.6 | S294 R300 L312 C315 H316 | S294-K296 PolarHBondContact O-N 2.99Å; K296-R300 WeakPolarHBondContact O-CB 3.26Å; K296-R300 PolarHBondContact O-N 2.93Å; K296-L312 HydrophobicContact CB-CD2 3.98Å; K296-L312 HydrophobicContact CG-CD2 4.27Å; K296-L312 WeakPolarHBondContact O-CD2 3.41Å; K296-C315 HydrophobicContact CD-CB 4.41Å; K296-C315 HydrophobicContact CG-CB 3.92Å; K296-H316 VanDerWaalsContact CD-O 3.3Å; K296-H316 WeakPolarHBondContact CD-O 3.35Å; K296-H316 WeakPolarHBondContact CE-O 3.32Å; K296-H316 PolarHBondContact NZ-O 2.97Å; K296-H316 PolarHBondContact NZ-OXT 2.79Å |
| 297 | D | 98.2 | Very high | 97.9 | Very high | 59 Ų | 59 | 59 Ų | 59 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.4 | -43.3 | 177.7 | -60.1 | -33.4 | 0 | 0 | 0 | 110.4 | V293 S294 I299 R300 D301 | V293-D297 HydrophobicContact CG1-CB 3.95Å; S294-D297 PolarHBondContact O-N 3.48Å; S294-D297 PolarHBondContact OG-N 3.19Å; S294-D297 VanDerWaalsContact OG-N 3.1Å; S294-D297 PolarHBondContact OG-OD2 3.46Å; D297-I299 PolarHBondContact O-N 3.2Å; D297-R300 WeakPolarHBondContact O-CA 3.29Å; D297-R300 WeakPolarHBondContact O-CB 3.43Å; D297-R300 PolarHBondContact O-N 3.4Å; D297-R300 IonicContact OD1-CZ 3.03Å; D297-R300 IonicContact OD1-NH1 2.58Å; D297-R300 PolarHBondContact OD1-NH1 3.06Å; D297-R300 IonicContact OD1-NH2 3.33Å; D297-R300 PolarHBondContact OD1-NH2 3.33Å; D297-R300 VanDerWaalsContact OD1-NH2 3.13Å; D297-D301 PolarHBondContact O-N 3.28Å |
| 298 | A | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M258 Y287 S294 L295 R300 D301 E302 | M258-A298 HydrophobicContact CE-CB 3.77Å; M258-A298 HydrophobicContact SD-CB 3.88Å; Y287-A298 HydrophobicContact CE1-CB 4.19Å; Y287-A298 WeakPolarHBondContact OH-CB 3.37Å; S294-A298 PolarHBondContact O-N 3.02Å; L295-A298 PolarHBondContact O-N 2.89Å; A298-R300 VanDerWaalsContact C-N 3.27Å; A298-R300 PolarHBondContact O-N 3.23Å; A298-D301 PolarHBondContact O-N 2.93Å; A298-E302 WeakPolarHBondContact O-CB 3.42Å; A298-E302 WeakPolarHBondContact O-CG 3.42Å; A298-E302 PolarHBondContact O-N 2.97Å |
| 299 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 174.1 | -69.5 | 165.4 | 0 | 0 | 0 | 111.1 | M258 I272 L295 D297 D301 C303 L311 L312 | M258-I299 HydrophobicContact SD-CG1 3.96Å; I272-I299 HydrophobicContact CD1-CD1 3.83Å; L295-I299 HydrophobicContact CD1-CD1 4.09Å; L295-I299 HydrophobicContact CD1-CG1 4.3Å; L295-I299 HydrophobicContact CG-CD1 3.89Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.31Å; L295-I299 PolarHBondContact O-N 3.42Å; D297-I299 PolarHBondContact O-N 3.2Å; I299-D301 VanDerWaalsContact C-N 3.26Å; I299-D301 PolarHBondContact O-N 3.09Å; I299-C303 HydrophobicContact CG2-CB 4.34Å; I299-C303 VanDerWaalsContact O-CB 3.27Å; I299-C303 WeakPolarHBondContact O-CB 3.2Å; I299-C303 PolarHBondContact O-N 2.9Å; I299-L311 HydrophobicContact CD1-CB 4.4Å; I299-L311 HydrophobicContact CG2-CB 3.88Å; I299-L311 HydrophobicContact CG2-CD1 4.26Å; I299-L312 HydrophobicContact CB-CD2 4.11Å; I299-L312 HydrophobicContact CG2-CD2 3.84Å; I299-L312 HydrophobicContact CG2-CG 4.04Å |
| 300 | R | 97.5 | Very high | 97.9 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 41% | 0.408 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | -178.7 | -165 | 179.3 | -52.5 | 102 | 4.9 | 112.3 | K296 D297 A298 K308 | K296-R300 WeakPolarHBondContact O-CB 3.26Å; K296-R300 PolarHBondContact O-N 2.93Å; D297-R300 WeakPolarHBondContact O-CA 3.29Å; D297-R300 WeakPolarHBondContact O-CB 3.43Å; D297-R300 PolarHBondContact O-N 3.4Å; D297-R300 IonicContact OD1-CZ 3.03Å; D297-R300 IonicContact OD1-NH1 2.58Å; D297-R300 PolarHBondContact OD1-NH1 3.06Å; D297-R300 IonicContact OD1-NH2 3.33Å; D297-R300 PolarHBondContact OD1-NH2 3.33Å; D297-R300 VanDerWaalsContact OD1-NH2 3.13Å; A298-R300 VanDerWaalsContact C-N 3.27Å; A298-R300 PolarHBondContact O-N 3.23Å; R300-K308 HydrophobicContact CB-CD 4.43Å; R300-K308 HydrophobicContact CG-CD 4.13Å; R300-K308 WeakPolarHBondContact O-CD 3.49Å; R300-K308 PolarHBondContact O-NZ 2.89Å |
| 301 | D | 96.6 | Very high | 98 | Very high | 123 Ų | 123 | 51.1 Ų | 51.1 | 66% | 0.658 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -81.3 | -39.7 | -177 | -66.7 | -12.9 | 0 | 0 | 0 | 111.6 | D297 A298 I299 | D297-D301 PolarHBondContact O-N 3.28Å; A298-D301 PolarHBondContact O-N 2.93Å; I299-D301 VanDerWaalsContact C-N 3.26Å; I299-D301 PolarHBondContact O-N 3.09Å |
| 302 | E | 96.9 | Very high | 98 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -94.6 | -14.6 | -172.8 | -62.4 | -60.3 | 150.7 | 0 | 0 | 114.7 | M258 T263 A298 | M258-E302 HydrophobicContact CB-CB 4.33Å; M258-E302 HydrophobicContact CB-CG 3.93Å; M258-E302 HydrophobicContact CG-CB 4Å; M258-E302 HydrophobicContact CG-CG 4.13Å; M258-E302 HydrophobicContact SD-CB 4.37Å; T263-E302 PolarHBondContact OG1-O 3.37Å; A298-E302 WeakPolarHBondContact O-CB 3.42Å; A298-E302 WeakPolarHBondContact O-CG 3.42Å; A298-E302 PolarHBondContact O-N 2.97Å |
| 303 | C | 96.6 | Very high | 98 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | trans | -116.4 | 159.1 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | I299 F307 K308 | I299-C303 HydrophobicContact CG2-CB 4.34Å; I299-C303 VanDerWaalsContact O-CB 3.27Å; I299-C303 WeakPolarHBondContact O-CB 3.2Å; I299-C303 PolarHBondContact O-N 2.9Å; C303-F307 HydrophobicContact CB-CD1 4.17Å; C303-F307 HydrophobicContact CB-CE1 4.42Å; C303-K308 HydrophobicContact CB-CB 3.77Å; C303-K308 HydrophobicContact CB-CG 4.45Å; C303-K308 VanDerWaalsContact O-CD 3.29Å; C303-K308 WeakPolarHBondContact O-CD 3.46Å; C303-K308 VanDerWaalsContact O-CE 3.29Å; C303-K308 WeakPolarHBondContact O-CE 3.26Å; C303-K308 PolarHBondContact O-NZ 3.43Å | ||
| 304 | S | 96.8 | Very high | 98 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 63% | 0.629 | 22% | 0.223 | S | C | * | . | trans | -138.6 | 170.8 | 178.1 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | K308 | S304-K308 PolarHBondContact O-N 3.19Å; S304-K308 VanDerWaalsContact O-N 3.16Å | ||
| 305 | G | 97.9 | Very high | 97.9 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | 55.3 | -144.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K308 R309 | G305-K308 WeakPolarHBondContact O-CB 3.36Å; G305-K308 PolarHBondContact O-N 3.02Å; G305-R309 PolarHBondContact O-N 3.41Å; G305-R309 VanDerWaalsContact O-N 3.15Å |
| 306 | D | 98.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.1 | -26.2 | -169.1 | -59.6 | -11.8 | 0 | 0 | 0 | 112.2 | E34 I38 F76 R309 L310 | E34-D306 HydrophobicContact CB-CB 4.36Å; E34-D306 WeakPolarHBondContact CB-OD2 3.23Å; E34-D306 VanDerWaalsContact CG-OD2 3.25Å; E34-D306 WeakPolarHBondContact CG-OD2 3.46Å; I38-D306 HydrophobicContact CD1-CB 4.47Å; F76-D306 HydrophobicContact CB-CB 4.25Å; F76-D306 HydrophobicContact CD1-CB 3.75Å; F76-D306 HydrophobicContact CD2-CB 3.82Å; F76-D306 WeakPolarHBondContact CD2-O 3.46Å; F76-D306 HydrophobicContact CE1-CB 4.01Å; F76-D306 HydrophobicContact CE2-CB 4.1Å; F76-D306 HydrophobicContact CG-CB 3.66Å; F76-D306 HydrophobicContact CZ-CB 4.18Å; D306-R309 PolarHBondContact O-N 3.49Å; D306-R309 IonicContact OD1-CZ 3.25Å; D306-R309 IonicContact OD1-NE 2.88Å; D306-R309 PolarHBondContact OD1-NE 3.5Å; D306-R309 IonicContact OD1-NH2 3.76Å; D306-R309 PolarHBondContact OD1-NH2 3.26Å; D306-R309 IonicContact OD2-NH2 2.71Å; D306-R309 PolarHBondContact OD2-NH2 3.49Å; D306-L310 WeakPolarHBondContact O-CB 3.47Å; D306-L310 PolarHBondContact O-N 2.89Å |
| 307 | F | 98.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 167.1 | -178.8 | -123.1 | 0 | 0 | 0 | 111 | N75 F76 A79 E265 I269 C303 R309 L310 L311 | N75-F307 HydrophobicContact CB-CB 4.35Å; N75-F307 HydrophobicContact CB-CD1 4Å; N75-F307 HydrophobicContact CB-CD2 3.85Å; N75-F307 HydrophobicContact CB-CE1 4.22Å; N75-F307 HydrophobicContact CB-CE2 4.09Å; N75-F307 HydrophobicContact CB-CG 3.8Å; N75-F307 HydrophobicContact CB-CZ 4.25Å; N75-F307 VanDerWaalsContact O-CD2 3.26Å; N75-F307 WeakPolarHBondContact O-CD2 3.36Å; F76-F307 HydrophobicContact CB-CB 4.23Å; A79-F307 HydrophobicContact CB-CD2 4.08Å; A79-F307 HydrophobicContact CB-CE2 4Å; E265-F307 HydrophobicContact CB-CE1 4Å; E265-F307 HydrophobicContact CB-CZ 3.86Å; E265-F307 HydrophobicContact CG-CD1 4.44Å; E265-F307 HydrophobicContact CG-CE1 3.58Å; E265-F307 HydrophobicContact CG-CZ 4Å; I269-F307 HydrophobicContact CD1-CE2 3.78Å; I269-F307 HydrophobicContact CD1-CZ 4.19Å; I269-F307 HydrophobicContact CG1-CE2 3.52Å; I269-F307 HydrophobicContact CG1-CZ 3.89Å; C303-F307 HydrophobicContact CB-CD1 4.17Å; C303-F307 HydrophobicContact CB-CE1 4.42Å; F307-R309 PolarHBondContact O-N 3.37Å; F307-L310 PolarHBondContact O-N 3.16Å; F307-L311 HydrophobicContact CD1-CD1 4.43Å; F307-L311 HydrophobicContact CD2-CD1 4.48Å; F307-L311 HydrophobicContact CD2-CG 4.28Å; F307-L311 HydrophobicContact CE1-CD1 3.82Å; F307-L311 HydrophobicContact CE2-CD1 3.86Å; F307-L311 HydrophobicContact CE2-CD2 4.01Å; F307-L311 HydrophobicContact CE2-CG 3.92Å; F307-L311 HydrophobicContact CZ-CD1 3.52Å; F307-L311 HydrophobicContact CZ-CD2 4.42Å; F307-L311 HydrophobicContact CZ-CG 4.12Å; F307-L311 WeakPolarHBondContact O-CG 3.41Å; F307-L311 PolarHBondContact O-N 3.5Å |
| 308 | K | 98.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 173.1 | 168.6 | 164.4 | 60.9 | -158.4 | 0 | 111.9 | R300 C303 S304 G305 L310 L311 L312 | R300-K308 HydrophobicContact CB-CD 4.43Å; R300-K308 HydrophobicContact CG-CD 4.13Å; R300-K308 WeakPolarHBondContact O-CD 3.49Å; R300-K308 PolarHBondContact O-NZ 2.89Å; C303-K308 HydrophobicContact CB-CB 3.77Å; C303-K308 HydrophobicContact CB-CG 4.45Å; C303-K308 VanDerWaalsContact O-CD 3.29Å; C303-K308 WeakPolarHBondContact O-CD 3.46Å; C303-K308 VanDerWaalsContact O-CE 3.29Å; C303-K308 WeakPolarHBondContact O-CE 3.26Å; C303-K308 PolarHBondContact O-NZ 3.43Å; S304-K308 PolarHBondContact O-N 3.19Å; S304-K308 VanDerWaalsContact O-N 3.16Å; G305-K308 WeakPolarHBondContact O-CB 3.36Å; G305-K308 PolarHBondContact O-N 3.02Å; K308-L310 VanDerWaalsContact C-N 3.26Å; K308-L310 PolarHBondContact O-N 2.98Å; K308-L311 PolarHBondContact O-N 3Å; K308-L312 HydrophobicContact CD-CD1 4.13Å; K308-L312 HydrophobicContact CG-CD1 3.66Å; K308-L312 HydrophobicContact CG-CG 4.13Å; K308-L312 WeakPolarHBondContact O-CB 3.2Å; K308-L312 VanDerWaalsContact O-CG 3.28Å; K308-L312 WeakPolarHBondContact O-CG 3.31Å; K308-L312 PolarHBondContact O-N 2.72Å |
| 309 | R | 98.6 | Very high | 97 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.5 | -44.1 | -178.4 | -67.9 | -165.4 | -76.6 | 165.6 | -6.5 | 111 | I38 G305 D306 F307 A313 | I38-R309 HydrophobicContact CD1-CB 3.75Å; G305-R309 PolarHBondContact O-N 3.41Å; G305-R309 VanDerWaalsContact O-N 3.15Å; D306-R309 PolarHBondContact O-N 3.49Å; D306-R309 IonicContact OD1-CZ 3.25Å; D306-R309 IonicContact OD1-NE 2.88Å; D306-R309 PolarHBondContact OD1-NE 3.5Å; D306-R309 IonicContact OD1-NH2 3.76Å; D306-R309 PolarHBondContact OD1-NH2 3.26Å; D306-R309 IonicContact OD2-NH2 2.71Å; D306-R309 PolarHBondContact OD2-NH2 3.49Å; F307-R309 PolarHBondContact O-N 3.37Å; R309-A313 WeakPolarHBondContact O-CB 3.45Å; R309-A313 PolarHBondContact O-N 3Å |
| 310 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -52.2 | 177.7 | 179.2 | 63.2 | 0 | 0 | 0 | 112.6 | I38 A42 F76 A79 I80 M83 D306 F307 K308 L312 A313 I314 | I38-L310 HydrophobicContact CD1-CB 4.31Å; I38-L310 HydrophobicContact CG1-CB 4.14Å; I38-L310 HydrophobicContact CG1-CD1 4.14Å; I38-L310 HydrophobicContact CG2-CD1 4.24Å; A42-L310 HydrophobicContact CB-CD1 4.11Å; F76-L310 HydrophobicContact CD2-CB 4.13Å; F76-L310 HydrophobicContact CD2-CD2 3.95Å; F76-L310 HydrophobicContact CE2-CB 3.97Å; F76-L310 HydrophobicContact CE2-CD2 3.92Å; F76-L310 HydrophobicContact CE2-CG 4.43Å; A79-L310 HydrophobicContact CB-CD2 3.48Å; A79-L310 VanDerWaalsContact CB-CD2 3.48Å; I80-L310 HydrophobicContact CD1-CD1 3.88Å; I80-L310 HydrophobicContact CD1-CD2 3.64Å; I80-L310 HydrophobicContact CD1-CG 4.39Å; I80-L310 HydrophobicContact CG1-CD2 3.89Å; M83-L310 HydrophobicContact CE-CD1 4.45Å; M83-L310 HydrophobicContact SD-CD1 3.85Å; M83-L310 HydrophobicContact SD-CD2 4.14Å; M83-L310 HydrophobicContact SD-CG 4.28Å; D306-L310 WeakPolarHBondContact O-CB 3.47Å; D306-L310 PolarHBondContact O-N 2.89Å; F307-L310 PolarHBondContact O-N 3.16Å; K308-L310 VanDerWaalsContact C-N 3.26Å; K308-L310 PolarHBondContact O-N 2.98Å; L310-L312 PolarHBondContact O-N 3.02Å; L310-A313 WeakPolarHBondContact O-CA 3.19Å; L310-A313 WeakPolarHBondContact O-CB 3.25Å; L310-A313 PolarHBondContact O-N 3.15Å; L310-I314 HydrophobicContact CD1-CD1 4.3Å; L310-I314 HydrophobicContact CD1-CG1 4.41Å; L310-I314 HydrophobicContact CG-CD1 4.12Å; L310-I314 WeakPolarHBondContact O-CG1 3.17Å; L310-I314 PolarHBondContact O-N 3.43Å |
| 311 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | -179 | -66.8 | -170.2 | 0 | 0 | 0 | 111.8 | L268 I272 I299 F307 K308 I314 C315 | L268-L311 HydrophobicContact CB-CD1 4.48Å; L268-L311 HydrophobicContact CD1-CD1 4.37Å; I272-L311 HydrophobicContact CB-CD2 4.39Å; I272-L311 HydrophobicContact CD1-CB 4.33Å; I272-L311 HydrophobicContact CD1-CD1 3.95Å; I272-L311 HydrophobicContact CD1-CD2 3.88Å; I272-L311 HydrophobicContact CD1-CG 4.27Å; I272-L311 HydrophobicContact CG2-CD2 4.12Å; I299-L311 HydrophobicContact CD1-CB 4.4Å; I299-L311 HydrophobicContact CG2-CB 3.88Å; I299-L311 HydrophobicContact CG2-CD1 4.26Å; F307-L311 HydrophobicContact CD1-CD1 4.43Å; F307-L311 HydrophobicContact CD2-CD1 4.48Å; F307-L311 HydrophobicContact CD2-CG 4.28Å; F307-L311 HydrophobicContact CE1-CD1 3.82Å; F307-L311 HydrophobicContact CE2-CD1 3.86Å; F307-L311 HydrophobicContact CE2-CD2 4.01Å; F307-L311 HydrophobicContact CE2-CG 3.92Å; F307-L311 HydrophobicContact CZ-CD1 3.52Å; F307-L311 HydrophobicContact CZ-CD2 4.42Å; F307-L311 HydrophobicContact CZ-CG 4.12Å; F307-L311 WeakPolarHBondContact O-CG 3.41Å; F307-L311 PolarHBondContact O-N 3.5Å; K308-L311 PolarHBondContact O-N 3Å; L311-I314 HydrophobicContact CD2-CD1 4.49Å; L311-I314 PolarHBondContact O-N 3.05Å; L311-C315 WeakPolarHBondContact O-CB 3.28Å; L311-C315 PolarHBondContact O-N 3.43Å; L311-C315 VanDerWaalsContact O-N 3.1Å; L311-C315 PolarHBondContact O-SG 3.14Å |
| 312 | L | 98.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -36.6 | 174.7 | -68.7 | 178.5 | 0 | 0 | 0 | 112.5 | K296 I299 K308 L310 C315 H316 | K296-L312 HydrophobicContact CB-CD2 3.98Å; K296-L312 HydrophobicContact CG-CD2 4.27Å; K296-L312 WeakPolarHBondContact O-CD2 3.41Å; I299-L312 HydrophobicContact CB-CD2 4.11Å; I299-L312 HydrophobicContact CG2-CD2 3.84Å; I299-L312 HydrophobicContact CG2-CG 4.04Å; K308-L312 HydrophobicContact CD-CD1 4.13Å; K308-L312 HydrophobicContact CG-CD1 3.66Å; K308-L312 HydrophobicContact CG-CG 4.13Å; K308-L312 WeakPolarHBondContact O-CB 3.2Å; K308-L312 VanDerWaalsContact O-CG 3.28Å; K308-L312 WeakPolarHBondContact O-CG 3.31Å; K308-L312 PolarHBondContact O-N 2.72Å; L310-L312 PolarHBondContact O-N 3.02Å; L312-C315 PolarHBondContact O-N 2.84Å; L312-H316 PolarHBondContact O-N 3.28Å |
| 313 | A | 98.3 | Very high | 96.9 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I38 A42 R309 L310 C315 H316 | I38-A313 HydrophobicContact CG2-CB 3.7Å; A42-A313 HydrophobicContact CB-CB 3.71Å; R309-A313 WeakPolarHBondContact O-CB 3.45Å; R309-A313 PolarHBondContact O-N 3Å; L310-A313 WeakPolarHBondContact O-CA 3.19Å; L310-A313 WeakPolarHBondContact O-CB 3.25Å; L310-A313 PolarHBondContact O-N 3.15Å; A313-C315 VanDerWaalsContact C-N 3.26Å; A313-C315 PolarHBondContact O-N 3.12Å; A313-H316 PolarHBondContact O-N 3.39Å |
| 314 | I | 98 | Very high | 97 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -34.1 | 175.9 | -59.9 | 165.1 | 0 | 0 | 0 | 111.3 | T7 V8 A42 M83 I272 L280 L310 L311 H316 | T7-I314 WeakPolarHBondContact CB-O 3.43Å; T7-I314 PolarHBondContact OG1-O 2.97Å; V8-I314 HydrophobicContact CG2-CG2 4.12Å; A42-I314 HydrophobicContact CB-CG1 4.24Å; M83-I314 HydrophobicContact CE-CD1 3.95Å; M83-I314 HydrophobicContact CE-CG1 3.96Å; M83-I314 HydrophobicContact SD-CD1 3.59Å; M83-I314 VanDerWaalsContact SD-CD1 3.59Å; M83-I314 HydrophobicContact SD-CG1 4.23Å; I272-I314 HydrophobicContact CG2-CB 3.97Å; I272-I314 HydrophobicContact CG2-CD1 3.94Å; I272-I314 HydrophobicContact CG2-CG2 3.6Å; L280-I314 HydrophobicContact CD2-CG2 4.04Å; L310-I314 HydrophobicContact CD1-CD1 4.3Å; L310-I314 HydrophobicContact CD1-CG1 4.41Å; L310-I314 HydrophobicContact CG-CD1 4.12Å; L310-I314 WeakPolarHBondContact O-CG1 3.17Å; L310-I314 PolarHBondContact O-N 3.43Å; L311-I314 HydrophobicContact CD2-CD1 4.49Å; L311-I314 PolarHBondContact O-N 3.05Å; I314-H316 VanDerWaalsContact C-N 3.32Å |
| 315 | C | 95.9 | Very high | 97 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.8 | -178.7 | -68.1 | 0 | 0 | 0 | 0 | 114.4 | K284 K296 L311 L312 A313 | K284-C315 HydrophobicContact CD-CB 4.41Å; K284-C315 WeakPolarHBondContact CE-O 3.44Å; K284-C315 PolarHBondContact NZ-O 3.34Å; K296-C315 HydrophobicContact CD-CB 4.41Å; K296-C315 HydrophobicContact CG-CB 3.92Å; L311-C315 WeakPolarHBondContact O-CB 3.28Å; L311-C315 PolarHBondContact O-N 3.43Å; L311-C315 VanDerWaalsContact O-N 3.1Å; L311-C315 PolarHBondContact O-SG 3.14Å; L312-C315 PolarHBondContact O-N 2.84Å; A313-C315 VanDerWaalsContact C-N 3.26Å; A313-C315 PolarHBondContact O-N 3.12Å |
| 316 | H | 84.3 | Confident | 96.9 | Very high | 114 Ų | 114 | 33.7 Ų | 33.7 | 53% | 0.528 | 16% | 0.16 | S | C | . | . | trans | 49.4 | 0 | -173.7 | -71.1 | -69.9 | 0 | 0 | 0 | 117.5 | T7 N43 K296 L312 A313 I314 | T7-H316 PolarHBondContact O-CD2 3.16Å; T7-H316 PolarHBondContact O-NE2 2.81Å; T7-H316 VanDerWaalsContact O-NE2 3.1Å; N43-H316 PolarHBondContact OD1-CE1 2.82Å; K296-H316 VanDerWaalsContact CD-O 3.3Å; K296-H316 WeakPolarHBondContact CD-O 3.35Å; K296-H316 WeakPolarHBondContact CE-O 3.32Å; K296-H316 PolarHBondContact NZ-O 2.97Å; K296-H316 PolarHBondContact NZ-OXT 2.79Å; L312-H316 PolarHBondContact O-N 3.28Å; A313-H316 PolarHBondContact O-N 3.39Å; I314-H316 VanDerWaalsContact C-N 3.32Å |
Retrieved 316 of 316 residues in 161.8 ms
(Link to these results)