| 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 | 47.9 | Very low | 84.8 | Confident | 136 Ų | 136 | 65.1 Ų | 65.1 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | 0 | 142 | 0 | -73.7 | 179 | -178.2 | 0 | 0 | 108.1 | Y164 Y202 M203 | M1-Y164 HydrophobicContact CE-CE1 3.89Å; M1-Y164 HydrophobicContact CG-CE1 4.14Å; M1-Y164 HydrophobicContact SD-CE1 3.88Å; M1-Y202 HydrophobicContact CE-CD2 3.73Å; M1-Y202 HydrophobicContact CE-CG 4.4Å; M1-M203 HydrophobicContact CE-CE 4.43Å | |||
| 2 | G | 55.2 | Low | 85.6 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 62% | 0.619 | 44% | 0.436 | S | S | * | . | trans | -63.4 | -178.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V4 | G2-V4 WeakPolarHBondContact O-CG2 3.25Å; G2-V4 PolarHBondContact O-N 3.47Å; G2-V4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | N | 67.4 | Low | 86.3 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 54% | 0.535 | 47% | 0.465 | S | S | . | . | trans | -56 | 114.6 | 172.3 | -164.5 | 20.7 | 0 | 0 | 0 | 108.9 | Q5 T282 | N3-Q5 PolarHBondContact ND2-NE2 2.98Å; N3-Q5 PolarHBondContact ND2-OE1 3.01Å; N3-Q5 VanDerWaalsContact OD1-CG 3.3Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.48Å; N3-Q5 PolarHBondContact OD1-NE2 3.41Å; N3-Q5 VanDerWaalsContact OD1-NE2 3.14Å; N3-T282 WeakPolarHBondContact O-CB 3.37Å; N3-T282 WeakPolarHBondContact O-CG2 3.46Å; N3-T282 PolarHBondContact O-OG1 3.18Å | ||
| 4 | V | 86.4 | Confident | 87.1 | Confident | 77 Ų | 77 | 79 Ų | 79 | 47% | 0.467 | 45% | 0.447 | S | S | . | . | trans | -102.1 | 101.7 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 105.9 | G2 I278 D279 | G2-V4 WeakPolarHBondContact O-CG2 3.25Å; G2-V4 PolarHBondContact O-N 3.47Å; G2-V4 VanDerWaalsContact O-N 3.12Å; V4-I278 WeakPolarHBondContact CG1-O 3.23Å; V4-D279 HydrophobicContact CG1-CB 3.65Å | ||
| 5 | Q | 93.9 | Very high | 87.8 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | trans | -121.3 | 126 | -173.3 | -73.9 | -172.2 | -18.7 | 0 | 0 | 111.6 | N3 I278 D279 L280 E281 T282 | N3-Q5 PolarHBondContact ND2-NE2 2.98Å; N3-Q5 PolarHBondContact ND2-OE1 3.01Å; N3-Q5 VanDerWaalsContact OD1-CG 3.3Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.48Å; N3-Q5 PolarHBondContact OD1-NE2 3.41Å; N3-Q5 VanDerWaalsContact OD1-NE2 3.14Å; Q5-I278 CarbonylContact C-O 3.59Å; Q5-D279 CarbonylContact O-C 3.37Å; Q5-D279 WeakPolarHBondContact O-CA 3.49Å; Q5-L280 PolarHBondContact O-N 2.93Å; Q5-E281 HydrophobicContact CB-CB 3.68Å; Q5-E281 HydrophobicContact CB-CG 4.13Å; Q5-E281 WeakPolarHBondContact O-CB 3.31Å; Q5-E281 PolarHBondContact O-N 3.3Å; Q5-T282 PolarHBondContact N-OG1 2.87Å; Q5-T282 VanDerWaalsContact N-OG1 3.12Å | ||
| 6 | P | 96.6 | Very high | 88.5 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | trans | -77.3 | 159.1 | 173.1 | 34.5 | -36.3 | 0 | 0 | 0 | 110.7 | V9 S276 | P6-V9 HydrophobicContact CG-CG1 3.87Å; P6-S276 WeakPolarHBondContact CB-O 3.37Å | ||
| 7 | T | 97.6 | Very high | 89.1 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 5% | 0.049 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -88.6 | -44.9 | 165.5 | 55.1 | 0 | 0 | 0 | 0 | 110 | S276 L280 E281 K284 I314 H316 | T7-S276 PolarHBondContact N-O 3.24Å; T7-S276 PolarHBondContact OG1-O 3.06Å; T7-L280 HydrophobicContact CG2-CB 3.92Å; T7-L280 HydrophobicContact CG2-CD2 4.19Å; T7-L280 HydrophobicContact CG2-CG 4Å; T7-E281 HydrophobicContact CG2-CB 4.27Å; T7-E281 WeakPolarHBondContact CG2-OE2 3.35Å; T7-K284 HydrophobicContact CG2-CD 3.96Å; T7-I314 WeakPolarHBondContact CB-O 3.29Å; T7-I314 PolarHBondContact OG1-O 3.19Å; T7-H316 PolarHBondContact O-CD2 2.88Å; T7-H316 PolarHBondContact O-NE2 2.82Å |
| 8 | V | 97.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | trans | -90.5 | 129.8 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | S276 E277 I314 | V8-S276 PolarHBondContact N-O 3.04Å; V8-E277 HydrophobicContact CB-CG 3.84Å; V8-E277 HydrophobicContact CG1-CG 3.91Å; V8-I314 HydrophobicContact CG2-CG2 4.3Å | ||
| 9 | V | 96.4 | Very high | 90.1 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | trans | -129.9 | 159 | 176.1 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | P6 C11 | P6-V9 HydrophobicContact CG-CG1 3.87Å; V9-C11 PolarHBondContact O-N 2.86Å | ||
| 10 | P | 97.3 | Very high | 90.5 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | trans | -56.6 | 133 | 176.3 | -24.6 | 34.4 | 0 | 0 | 0 | 112.1 | E12 | P10-E12 PolarHBondContact O-N 3.24Š| ||
| 11 | C | 96.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | trans | -69.2 | 125.3 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | V9 F14 N43 R44 Q48 | V9-C11 PolarHBondContact O-N 2.86Å; C11-F14 HydrophobicContact CB-CB 4.45Å; C11-N43 WeakPolarHBondContact CB-O 3.18Å; C11-R44 PolarHBondContact SG-NH1 3.12Å; C11-Q48 PolarHBondContact O-NE2 3.44Å | ||
| 12 | E | 94.9 | Very high | 93.3 | Very high | 191 Ų | 191 | 65.6 Ų | 65.6 | 89% | 0.893 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -44.3 | -179.9 | -63.6 | -170.2 | 160.8 | 0 | 0 | 112.2 | P10 F14 | P10-E12 PolarHBondContact O-N 3.24Å; E12-F14 VanDerWaalsContact C-N 3.28Å; E12-F14 PolarHBondContact O-N 3.16Å |
| 13 | D | 94.2 | Very high | 95.3 | Very high | 151 Ų | 151 | 62.8 Ų | 62.8 | 81% | 0.807 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 44.9 | -179.3 | -66.4 | -43.1 | 0 | 0 | 0 | 112.1 | D15 | D13-D15 PolarHBondContact O-N 3.49Š|
| 14 | F | 97.8 | Very high | 96.7 | Very high | 48 Ų | 48 | 62 Ų | 62 | 21% | 0.211 | 33% | 0.332 | C | S | . | . | trans | -65.8 | 114.7 | -176.4 | 178.4 | -129 | 0 | 0 | 0 | 112.5 | C11 E12 V16 D19 Q48 E51 I52 | C11-F14 HydrophobicContact CB-CB 4.45Å; E12-F14 VanDerWaalsContact C-N 3.28Å; E12-F14 PolarHBondContact O-N 3.16Å; F14-V16 HydrophobicContact CE1-CB 3.93Å; F14-V16 HydrophobicContact CE1-CG2 4.46Å; F14-V16 HydrophobicContact CE2-CB 4.14Å; F14-V16 HydrophobicContact CZ-CB 3.58Å; F14-V16 HydrophobicContact CZ-CG2 3.84Å; F14-D19 VanDerWaalsContact CE2-OD2 3.31Å; F14-D19 WeakPolarHBondContact CE2-OD2 3.2Å; F14-Q48 HydrophobicContact CD1-CG 3.96Å; F14-Q48 HydrophobicContact CD2-CB 4.34Å; F14-Q48 HydrophobicContact CD2-CG 4.29Å; F14-Q48 HydrophobicContact CE1-CB 4.21Å; F14-Q48 HydrophobicContact CE1-CG 4.02Å; F14-Q48 HydrophobicContact CE2-CB 3.99Å; F14-Q48 HydrophobicContact CE2-CG 4.35Å; F14-Q48 HydrophobicContact CG-CG 4.09Å; F14-Q48 HydrophobicContact CZ-CB 3.91Å; F14-Q48 HydrophobicContact CZ-CG 4.21Å; F14-E51 HydrophobicContact CE1-CB 4.05Å; F14-E51 WeakPolarHBondContact CE1-OE2 3.39Å; F14-E51 HydrophobicContact CZ-CB 4.05Å; F14-I52 HydrophobicContact CE2-CD1 4.07Å; F14-I52 HydrophobicContact CE2-CG1 3.93Å; F14-I52 HydrophobicContact CZ-CG1 4Å | ||
| 15 | D | 97.9 | Very high | 97.3 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -117.1 | 90.9 | 170.8 | -177.3 | -11.3 | 0 | 0 | 0 | 110 | D13 T17 A18 D19 | D13-D15 PolarHBondContact O-N 3.49Å; D15-T17 PolarHBondContact O-N 3.12Å; D15-T17 VanDerWaalsContact O-N 3.16Å; D15-T17 WeakPolarHBondContact OD1-CA 3.49Å; D15-T17 WeakPolarHBondContact OD1-CB 3.43Å; D15-T17 PolarHBondContact OD1-N 2.73Å; D15-A18 HydrophobicContact CB-CB 3.89Å; D15-A18 WeakPolarHBondContact O-CB 3.29Å; D15-A18 PolarHBondContact O-N 3.03Å; D15-A18 VanDerWaalsContact O-N 3.08Å; D15-A18 PolarHBondContact OD1-N 3.32Å; D15-A18 WeakPolarHBondContact OD2-CB 3.38Å; D15-D19 PolarHBondContact O-N 2.84Å | ||
| 16 | V | 98.4 | Very high | 97.4 | Very high | 33 Ų | 33 | 62.5 Ų | 62.5 | 20% | 0.2 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.6 | -33 | 177.1 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | F14 D19 I20 E51 I52 A55 | F14-V16 HydrophobicContact CE1-CB 3.93Å; F14-V16 HydrophobicContact CE1-CG2 4.46Å; F14-V16 HydrophobicContact CE2-CB 4.14Å; F14-V16 HydrophobicContact CZ-CB 3.58Å; F14-V16 HydrophobicContact CZ-CG2 3.84Å; V16-D19 PolarHBondContact O-N 2.97Å; V16-I20 HydrophobicContact CG2-CG2 4.47Å; V16-I20 WeakPolarHBondContact O-CG1 3.42Å; V16-I20 WeakPolarHBondContact O-CG2 3.45Å; V16-I20 PolarHBondContact O-N 3.43Å; V16-E51 HydrophobicContact CG2-CB 4.46Å; V16-I52 HydrophobicContact CG2-CG1 4.08Å; V16-A55 HydrophobicContact CG1-CB 4.45Å; V16-A55 HydrophobicContact CG2-CB 3.52Å |
| 17 | T | 98.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 40% | 0.399 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.6 | -35.2 | -179.3 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | D15 I20 K21 | D15-T17 PolarHBondContact O-N 3.12Å; D15-T17 VanDerWaalsContact O-N 3.16Å; D15-T17 WeakPolarHBondContact OD1-CA 3.49Å; D15-T17 WeakPolarHBondContact OD1-CB 3.43Å; D15-T17 PolarHBondContact OD1-N 2.73Å; T17-I20 WeakPolarHBondContact O-CG1 3.5Å; T17-K21 HydrophobicContact CG2-CD 4.47Å; T17-K21 WeakPolarHBondContact O-CD 3.43Å; T17-K21 WeakPolarHBondContact O-CG 3.41Å; T17-K21 PolarHBondContact O-N 3.14Å |
| 18 | A | 98.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 68.7 Ų | 68.7 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -46.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D15 I20 K21 N22 | D15-A18 HydrophobicContact CB-CB 3.89Å; D15-A18 WeakPolarHBondContact O-CB 3.29Å; D15-A18 PolarHBondContact O-N 3.03Å; D15-A18 VanDerWaalsContact O-N 3.08Å; D15-A18 PolarHBondContact OD1-N 3.32Å; D15-A18 WeakPolarHBondContact OD2-CB 3.38Å; A18-I20 PolarHBondContact O-N 3.01Å; A18-K21 WeakPolarHBondContact O-CB 3.5Å; A18-K21 PolarHBondContact O-N 3.01Å; A18-N22 WeakPolarHBondContact O-CB 3.48Å; A18-N22 VanDerWaalsContact O-CG 3.27Å; A18-N22 PolarHBondContact O-N 2.94Å; A18-N22 PolarHBondContact O-ND2 3.1Å |
| 19 | D | 98.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.032 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.1 | -50.7 | -178.2 | -70.1 | -21.4 | 0 | 0 | 0 | 111.8 | F14 D15 V16 K21 N22 I23 I40 R44 I52 | F14-D19 VanDerWaalsContact CE2-OD2 3.31Å; F14-D19 WeakPolarHBondContact CE2-OD2 3.2Å; D15-D19 PolarHBondContact O-N 2.84Å; V16-D19 PolarHBondContact O-N 2.97Å; D19-K21 VanDerWaalsContact C-N 3.26Å; D19-K21 PolarHBondContact O-N 2.76Å; D19-N22 PolarHBondContact O-N 3.27Å; D19-N22 VanDerWaalsContact O-N 3.09Å; D19-I23 WeakPolarHBondContact O-CG1 3.49Å; D19-I23 PolarHBondContact O-N 3.28Å; D19-I40 HydrophobicContact CB-CG2 4.05Å; D19-R44 IonicContact OD1-CZ 3.29Å; D19-R44 IonicContact OD1-NE 2.73Å; D19-R44 IonicContact OD1-NH2 2.94Å; D19-R44 PolarHBondContact OD1-NH2 3.4Å; D19-R44 IonicContact OD2-CZ 3.02Å; D19-R44 IonicContact OD2-NE 3.59Å; D19-R44 PolarHBondContact OD2-NE 3.22Å; D19-R44 IonicContact OD2-NH2 2.66Å; D19-R44 PolarHBondContact OD2-NH2 2.92Å; D19-R44 VanDerWaalsContact OD2-NH2 3.12Å; D19-I52 HydrophobicContact CB-CD1 3.91Å; D19-I52 HydrophobicContact CB-CG1 4.07Å |
| 20 | I | 98.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.015 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.5 | -31.4 | 179.3 | 67.6 | -174.5 | 0 | 0 | 0 | 112.7 | V16 T17 A18 R24 I52 A55 Y56 K59 Y60 | V16-I20 HydrophobicContact CG2-CG2 4.47Å; V16-I20 WeakPolarHBondContact O-CG1 3.42Å; V16-I20 WeakPolarHBondContact O-CG2 3.45Å; V16-I20 PolarHBondContact O-N 3.43Å; T17-I20 WeakPolarHBondContact O-CG1 3.5Å; A18-I20 PolarHBondContact O-N 3.01Å; I20-R24 VanDerWaalsContact O-CB 3.29Å; I20-R24 WeakPolarHBondContact O-CB 3.41Å; I20-R24 PolarHBondContact O-N 2.99Å; I20-I52 HydrophobicContact CG2-CG2 3.93Å; I20-I52 WeakPolarHBondContact CG2-O 3.3Å; I20-A55 HydrophobicContact CD1-CB 4.09Å; I20-A55 HydrophobicContact CG2-CB 4.17Å; I20-Y56 HydrophobicContact CB-CD2 3.93Å; I20-Y56 HydrophobicContact CG2-CD2 4.23Å; I20-K59 HydrophobicContact CD1-CB 4.16Å; I20-K59 HydrophobicContact CD1-CD 3.41Å; I20-K59 VanDerWaalsContact CD1-CD 3.41Å; I20-K59 HydrophobicContact CD1-CG 4.47Å; I20-K59 HydrophobicContact CG1-CD 4.12Å; I20-Y60 HydrophobicContact CB-CE2 4.2Å; I20-Y60 HydrophobicContact CG1-CE2 4.21Å |
| 21 | K | 98.3 | Very high | 96 | Very high | 112 Ų | 112 | 75.2 Ų | 75.2 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 174.5 | -75 | 172.3 | -174.2 | 169.3 | 0 | 111 | T17 A18 D19 R24 K25 K59 | T17-K21 HydrophobicContact CG2-CD 4.47Å; T17-K21 WeakPolarHBondContact O-CD 3.43Å; T17-K21 WeakPolarHBondContact O-CG 3.41Å; T17-K21 PolarHBondContact O-N 3.14Å; A18-K21 WeakPolarHBondContact O-CB 3.5Å; A18-K21 PolarHBondContact O-N 3.01Å; D19-K21 VanDerWaalsContact C-N 3.26Å; D19-K21 PolarHBondContact O-N 2.76Å; K21-R24 PolarHBondContact O-N 3.44Å; K21-K25 WeakPolarHBondContact O-CB 3.26Å; K21-K25 PolarHBondContact O-N 2.91Å; K21-K59 VanDerWaalsContact CE-NZ 3.34Å |
| 22 | N | 98.4 | Very high | 96 | Very high | 77 Ų | 77 | 74.6 Ų | 74.6 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | -178.7 | -70.2 | -22.1 | 0 | 0 | 0 | 110.8 | A18 D19 K25 A26 I40 | A18-N22 WeakPolarHBondContact O-CB 3.48Å; A18-N22 VanDerWaalsContact O-CG 3.27Å; A18-N22 PolarHBondContact O-N 2.94Å; A18-N22 PolarHBondContact O-ND2 3.1Å; D19-N22 PolarHBondContact O-N 3.27Å; D19-N22 VanDerWaalsContact O-N 3.09Å; N22-K25 WeakPolarHBondContact O-CB 3.4Å; N22-K25 PolarHBondContact O-N 2.85Å; N22-A26 WeakPolarHBondContact O-CB 3.27Å; N22-A26 PolarHBondContact O-N 2.87Å; N22-I40 HydrophobicContact CB-CD1 3.63Å |
| 23 | I | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 172 | -65.1 | 168.4 | 0 | 0 | 0 | 110.4 | D19 K25 A26 C27 I40 I52 Y56 L64 | D19-I23 WeakPolarHBondContact O-CG1 3.49Å; D19-I23 PolarHBondContact O-N 3.28Å; I23-K25 PolarHBondContact O-N 3.05Å; I23-A26 WeakPolarHBondContact O-CB 3.48Å; I23-A26 PolarHBondContact O-N 3.38Å; I23-C27 PolarHBondContact O-N 2.99Å; I23-C27 PolarHBondContact O-SG 2.9Å; I23-C27 VanDerWaalsContact O-SG 3.4Å; I23-I40 HydrophobicContact CD1-CG2 4.1Å; I23-I40 HydrophobicContact CG1-CD1 3.72Å; I23-I40 HydrophobicContact CG1-CG2 4.32Å; I23-I52 HydrophobicContact CD1-CG2 3.62Å; I23-Y56 HydrophobicContact CG2-CE2 4.17Å; I23-L64 HydrophobicContact CD1-CD2 4.37Å; I23-L64 HydrophobicContact CG2-CD1 3.67Å |
| 24 | R | 97.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 65 Ų | 65 | 32% | 0.317 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -33.8 | 178.4 | -173 | 62.5 | 169.7 | -163.2 | -6.1 | 112.4 | I20 K21 K28 Y56 Y60 D62 | I20-R24 VanDerWaalsContact O-CB 3.29Å; I20-R24 WeakPolarHBondContact O-CB 3.41Å; I20-R24 PolarHBondContact O-N 2.99Å; K21-R24 PolarHBondContact O-N 3.44Å; R24-K28 WeakPolarHBondContact O-CB 3.42Å; R24-Y56 HydrophobicContact CB-CE2 4.08Å; R24-Y56 VanDerWaalsContact CD-OH 3.28Å; R24-Y56 WeakPolarHBondContact CD-OH 3.25Å; R24-Y56 PolarHBondContact NH1-OH 3.31Å; R24-Y60 HydrophobicContact CB-CE2 4.03Å; R24-Y60 HydrophobicContact CG-CD1 4.49Å; R24-Y60 HydrophobicContact CG-CE1 4.09Å; R24-Y60 HydrophobicContact CG-CE2 4.3Å; R24-D62 IonicContact CZ-OD2 3.73Å; R24-D62 VanDerWaalsContact CZ-OD2 3.29Å; R24-D62 IonicContact NH1-OD2 2.97Å; R24-D62 PolarHBondContact NH1-OD2 2.81Å; R24-D62 IonicContact NH2-OD2 3.93Å; R24-D62 PolarHBondContact NH2-OD2 3.33Å |
| 25 | K | 97.8 | Very high | 96.3 | Very high | 159 Ų | 159 | 65.6 Ų | 65.6 | 69% | 0.691 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.9 | -41.5 | 175.6 | -178.1 | -172.9 | 171.2 | -163.5 | 0 | 111.3 | K21 N22 I23 C27 K28 | K21-K25 WeakPolarHBondContact O-CB 3.26Å; K21-K25 PolarHBondContact O-N 2.91Å; N22-K25 WeakPolarHBondContact O-CB 3.4Å; N22-K25 PolarHBondContact O-N 2.85Å; I23-K25 PolarHBondContact O-N 3.05Å; K25-C27 VanDerWaalsContact C-N 3.26Å; K25-C27 PolarHBondContact O-N 3.21Å; K25-K28 PolarHBondContact O-N 3.46Å; K25-K28 VanDerWaalsContact O-N 3.12Å |
| 26 | A | 97.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.1 | -35 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N22 I23 K28 T32 D33 A36 I37 | N22-A26 WeakPolarHBondContact O-CB 3.27Å; N22-A26 PolarHBondContact O-N 2.87Å; I23-A26 WeakPolarHBondContact O-CB 3.48Å; I23-A26 PolarHBondContact O-N 3.38Å; A26-K28 VanDerWaalsContact C-N 3.33Å; A26-K28 PolarHBondContact O-N 3.48Å; A26-T32 WeakPolarHBondContact O-CA 3.03Å; A26-D33 HydrophobicContact CB-CB 3.9Å; A26-D33 PolarHBondContact O-N 2.97Å; A26-A36 HydrophobicContact CB-CB 4.06Å; A26-I37 HydrophobicContact CB-CD1 4.36Å; A26-I37 HydrophobicContact CB-CG1 3.93Å |
| 27 | C | 96.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 10% | 0.101 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.3 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | I23 K25 V67 E71 | I23-C27 PolarHBondContact O-N 2.99Å; I23-C27 PolarHBondContact O-SG 2.9Å; I23-C27 VanDerWaalsContact O-SG 3.4Å; K25-C27 VanDerWaalsContact C-N 3.26Å; K25-C27 PolarHBondContact O-N 3.21Å; C27-V67 HydrophobicContact CB-CG1 4.22Å; C27-E71 HydrophobicContact CB-CG 3.93Å |
| 28 | K | 92.8 | Very high | 96.2 | Very high | 173 Ų | 173 | 58.4 Ų | 58.4 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -109.8 | 117.6 | -173.6 | -173.5 | -178.9 | -179.1 | -179.8 | 0 | 112 | R24 K25 A26 | R24-K28 WeakPolarHBondContact O-CB 3.42Å; K25-K28 PolarHBondContact O-N 3.46Å; K25-K28 VanDerWaalsContact O-N 3.12Å; A26-K28 VanDerWaalsContact C-N 3.33Å; A26-K28 PolarHBondContact O-N 3.48Å |
| 29 | G | 88.7 | Confident | 96.2 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 131.5 | -151.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 30 | L | 86.4 | Confident | 96.2 | Very high | 189 Ų | 189 | 60.5 Ų | 60.5 | 99% | 0.99 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -91.9 | 110.6 | 168.5 | -67.5 | 177.6 | 0 | 0 | 0 | 107.8 | ||
| 31 | G | 90.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 60.3 Ų | 60.3 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 89.9 | 170.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 32 | T | 96.5 | Very high | 96.1 | Very high | 23 Ų | 23 | 55 Ų | 55 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | trans | -112.5 | 149.4 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 108.8 | A26 E34 I37 E71 L72 | A26-T32 WeakPolarHBondContact O-CA 3.03Å; T32-E34 HydrophobicContact CG2-CG 4.41Å; T32-I37 HydrophobicContact CG2-CD1 3.5Å; T32-E71 HydrophobicContact CG2-CB 4.15Å; T32-E71 PolarHBondContact OG1-O 3.43Å; T32-E71 PolarHBondContact OG1-OE2 3.13Å; T32-L72 HydrophobicContact CG2-CD2 4.1Å | ||
| 33 | D | 97.8 | Very high | 96 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | trans | -95.6 | 82.3 | 167.9 | -172 | -16.9 | 0 | 0 | 0 | 108.5 | A26 E35 A36 I37 | A26-D33 HydrophobicContact CB-CB 3.9Å; A26-D33 PolarHBondContact O-N 2.97Å; D33-E35 PolarHBondContact O-N 2.9Å; D33-A36 HydrophobicContact CB-CB 4.13Å; D33-A36 VanDerWaalsContact CG-CB 3.49Å; D33-A36 PolarHBondContact O-N 3.16Å; D33-A36 WeakPolarHBondContact OD1-CB 3.45Å; D33-A36 PolarHBondContact OD1-N 2.96Å; D33-A36 VanDerWaalsContact OD1-N 3.07Å; D33-I37 PolarHBondContact O-N 3.49Å | ||
| 34 | E | 97.9 | Very high | 96 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -34.8 | -176.6 | -62.1 | 83.6 | -179.6 | 0 | 0 | 111.6 | T32 I37 I38 L72 F76 D306 | T32-E34 HydrophobicContact CG2-CG 4.41Å; E34-I37 PolarHBondContact O-N 3.05Å; E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.39Å; E34-I38 PolarHBondContact O-N 3.46Å; E34-L72 HydrophobicContact CG-CD2 4.16Å; E34-F76 HydrophobicContact CB-CE1 3.72Å; E34-F76 HydrophobicContact CB-CZ 3.95Å; E34-F76 HydrophobicContact CG-CD1 4.38Å; E34-F76 HydrophobicContact CG-CE1 3.56Å; E34-F76 HydrophobicContact CG-CZ 4.31Å; E34-D306 HydrophobicContact CB-CB 4.17Å; E34-D306 HydrophobicContact CG-CB 4.49Å |
| 35 | E | 97.3 | Very high | 96.1 | Very high | 60 Ų | 60 | 52 Ų | 52 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.1 | -174.8 | 60.4 | -151.4 | 0 | 0 | 111.5 | D33 I37 I38 Q39 R309 | D33-E35 PolarHBondContact O-N 2.9Å; E35-I37 VanDerWaalsContact C-N 3.26Å; E35-I37 PolarHBondContact O-N 3.47Å; E35-I38 PolarHBondContact O-N 3.34Å; E35-Q39 HydrophobicContact CG-CG 4.36Å; E35-Q39 WeakPolarHBondContact O-CB 3.46Å; E35-Q39 WeakPolarHBondContact O-CG 3.24Å; E35-Q39 PolarHBondContact O-N 2.9Å; E35-Q39 WeakPolarHBondContact OE1-CG 3.3Å; E35-Q39 PolarHBondContact OE1-NE2 2.83Å; E35-R309 WeakPolarHBondContact OE2-CD 3.41Å; E35-R309 IonicContact OE2-CZ 2.9Å; E35-R309 IonicContact OE2-NE 2.65Å; E35-R309 PolarHBondContact OE2-NE 3.16Å; E35-R309 IonicContact OE2-NH1 3.16Å; E35-R309 PolarHBondContact OE2-NH1 3.26Å |
| 36 | A | 97.7 | Very high | 96.1 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A26 D33 I40 | A26-A36 HydrophobicContact CB-CB 4.06Å; D33-A36 HydrophobicContact CB-CB 4.13Å; D33-A36 VanDerWaalsContact CG-CB 3.49Å; D33-A36 PolarHBondContact O-N 3.16Å; D33-A36 WeakPolarHBondContact OD1-CB 3.45Å; D33-A36 PolarHBondContact OD1-N 2.96Å; D33-A36 VanDerWaalsContact OD1-N 3.07Å; A36-I40 WeakPolarHBondContact O-CD1 3.28Å; A36-I40 VanDerWaalsContact O-CG1 3.25Å; A36-I40 WeakPolarHBondContact O-CG1 3.31Å; A36-I40 PolarHBondContact O-N 2.77Å |
| 37 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.9 | -49.2 | 175.8 | -65.2 | 164.9 | 0 | 0 | 0 | 110.1 | A26 T32 D33 E34 E35 Q39 I40 L41 L68 L72 | A26-I37 HydrophobicContact CB-CD1 4.36Å; A26-I37 HydrophobicContact CB-CG1 3.93Å; T32-I37 HydrophobicContact CG2-CD1 3.5Å; D33-I37 PolarHBondContact O-N 3.49Å; E34-I37 PolarHBondContact O-N 3.05Å; E35-I37 VanDerWaalsContact C-N 3.26Å; E35-I37 PolarHBondContact O-N 3.47Å; I37-Q39 PolarHBondContact O-N 2.84Å; I37-I40 PolarHBondContact O-N 2.9Å; I37-L41 HydrophobicContact CG2-CD1 3.83Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 WeakPolarHBondContact O-CG 3.33Å; I37-L41 PolarHBondContact O-N 3.47Å; I37-L68 HydrophobicContact CD1-CD2 3.73Å; I37-L68 HydrophobicContact CG1-CD2 4.31Å; I37-L68 HydrophobicContact CG2-CD2 4.17Å; I37-L72 HydrophobicContact CD1-CD2 4.47Å |
| 38 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55 | -54.9 | 178.2 | -70.2 | 165.4 | 0 | 0 | 0 | 110 | E34 E35 I40 L41 V42 F76 D306 R309 L310 E313 | E34-I38 VanDerWaalsContact O-CG1 3.25Å; E34-I38 WeakPolarHBondContact O-CG1 3.39Å; E34-I38 PolarHBondContact O-N 3.46Å; E35-I38 PolarHBondContact O-N 3.34Å; I38-I40 PolarHBondContact O-N 2.61Å; I38-L41 PolarHBondContact O-N 3.29Å; I38-V42 HydrophobicContact CG2-CG1 4.01Å; I38-V42 WeakPolarHBondContact O-CG1 3.34Å; I38-V42 VanDerWaalsContact O-CG2 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.27Å; I38-V42 PolarHBondContact O-N 3.01Å; I38-F76 HydrophobicContact CD1-CE2 3.84Å; I38-F76 HydrophobicContact CD1-CZ 3.93Å; I38-F76 HydrophobicContact CG1-CE2 3.72Å; I38-F76 HydrophobicContact CG1-CZ 3.81Å; I38-D306 HydrophobicContact CD1-CB 4.26Å; I38-R309 HydrophobicContact CD1-CB 4.16Å; I38-R309 HydrophobicContact CD1-CG 4.35Å; I38-L310 HydrophobicContact CB-CD1 4.41Å; I38-L310 HydrophobicContact CD1-CB 4.25Å; I38-L310 HydrophobicContact CG1-CB 4.14Å; I38-L310 HydrophobicContact CG1-CD1 4.06Å; I38-L310 HydrophobicContact CG2-CD1 4.04Å; I38-E313 HydrophobicContact CG2-CB 3.97Å; I38-E313 HydrophobicContact CG2-CG 3.96Å |
| 39 | Q | 97.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.4 | -31.2 | -175.9 | -70.1 | -58.7 | -33.9 | 0 | 0 | 113.1 | E35 I37 N43 E313 | E35-Q39 HydrophobicContact CG-CG 4.36Å; E35-Q39 WeakPolarHBondContact O-CB 3.46Å; E35-Q39 WeakPolarHBondContact O-CG 3.24Å; E35-Q39 PolarHBondContact O-N 2.9Å; E35-Q39 WeakPolarHBondContact OE1-CG 3.3Å; E35-Q39 PolarHBondContact OE1-NE2 2.83Å; I37-Q39 PolarHBondContact O-N 2.84Å; Q39-N43 WeakPolarHBondContact O-CB 3.38Å; Q39-N43 PolarHBondContact O-ND2 2.69Å; Q39-N43 PolarHBondContact OE1-ND2 3.08Å; Q39-E313 PolarHBondContact NE2-OE2 2.73Å |
| 40 | I | 97.8 | Very high | 97 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.8 | -49.5 | 173.6 | -66.4 | 166.1 | 0 | 0 | 0 | 110.2 | D19 N22 I23 A36 I37 I38 R44 I52 | D19-I40 HydrophobicContact CB-CG2 4.05Å; N22-I40 HydrophobicContact CB-CD1 3.63Å; I23-I40 HydrophobicContact CD1-CG2 4.1Å; I23-I40 HydrophobicContact CG1-CD1 3.72Å; I23-I40 HydrophobicContact CG1-CG2 4.32Å; A36-I40 WeakPolarHBondContact O-CD1 3.28Å; A36-I40 VanDerWaalsContact O-CG1 3.25Å; A36-I40 WeakPolarHBondContact O-CG1 3.31Å; A36-I40 PolarHBondContact O-N 2.77Å; I37-I40 PolarHBondContact O-N 2.9Å; I38-I40 PolarHBondContact O-N 2.61Å; I40-R44 WeakPolarHBondContact O-CG 3.44Å; I40-I52 HydrophobicContact CG2-CD1 4.16Å |
| 41 | L | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.7 | -37.1 | -171.4 | -63.6 | -178.5 | 0 | 0 | 0 | 113.8 | I37 I38 N43 R49 V80 M83 L84 | I37-L41 HydrophobicContact CG2-CD1 3.83Å; I37-L41 HydrophobicContact CG2-CG 4.34Å; I37-L41 WeakPolarHBondContact O-CG 3.33Å; I37-L41 PolarHBondContact O-N 3.47Å; I38-L41 PolarHBondContact O-N 3.29Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-R49 HydrophobicContact CD2-CG 4.23Å; L41-R49 PolarHBondContact O-NH1 3.2Å; L41-V80 HydrophobicContact CD1-CB 4.49Å; L41-V80 HydrophobicContact CD1-CG1 3.72Å; L41-V80 HydrophobicContact CD1-CG2 4.38Å; L41-M83 HydrophobicContact CB-CE 4.06Å; L41-M83 WeakPolarHBondContact O-CE 3.49Å; L41-L84 HydrophobicContact CD2-CD2 3.88Å |
| 42 | V | 97.5 | Very high | 98 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.9 | -25.5 | -179.7 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | I38 M83 L310 E313 I314 | I38-V42 HydrophobicContact CG2-CG1 4.01Å; I38-V42 WeakPolarHBondContact O-CG1 3.34Å; I38-V42 VanDerWaalsContact O-CG2 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.27Å; I38-V42 PolarHBondContact O-N 3.01Å; V42-M83 HydrophobicContact CG1-CE 4.14Å; V42-L310 HydrophobicContact CG1-CD1 3.6Å; V42-E313 HydrophobicContact CB-CB 4.46Å; V42-E313 HydrophobicContact CG1-CB 4.05Å; V42-E313 HydrophobicContact CG2-CB 4.17Å; V42-I314 HydrophobicContact CG1-CG1 3.79Å |
| 43 | N | 97.3 | Very high | 98.1 | Very high | 62 Ų | 62 | 33.1 Ų | 33.1 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 20.9 | 179.7 | -68.4 | -68.3 | 0 | 0 | 0 | 112.8 | C11 Q39 L41 | C11-N43 WeakPolarHBondContact CB-O 3.18Å; Q39-N43 WeakPolarHBondContact O-CB 3.38Å; Q39-N43 PolarHBondContact O-ND2 2.69Å; Q39-N43 PolarHBondContact OE1-ND2 3.08Å; L41-N43 VanDerWaalsContact C-N 3.31Å |
| 44 | R | 98.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 11% | 0.113 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -134.5 | 134.4 | 177.5 | -63.5 | -66.1 | -179.3 | -85.6 | -3.4 | 108.9 | C11 D19 I40 Q48 R49 I52 | C11-R44 PolarHBondContact SG-NH1 3.12Å; D19-R44 IonicContact OD1-CZ 3.29Å; D19-R44 IonicContact OD1-NE 2.73Å; D19-R44 IonicContact OD1-NH2 2.94Å; D19-R44 PolarHBondContact OD1-NH2 3.4Å; D19-R44 IonicContact OD2-CZ 3.02Å; D19-R44 IonicContact OD2-NE 3.59Å; D19-R44 PolarHBondContact OD2-NE 3.22Å; D19-R44 IonicContact OD2-NH2 2.66Å; D19-R44 PolarHBondContact OD2-NH2 2.92Å; D19-R44 VanDerWaalsContact OD2-NH2 3.12Å; I40-R44 WeakPolarHBondContact O-CG 3.44Å; R44-Q48 HydrophobicContact CB-CB 3.97Å; R44-R49 HydrophobicContact CB-CG 3.92Å; R44-R49 PolarHBondContact O-NH1 3.3Å; R44-I52 HydrophobicContact CB-CD1 4.48Å; R44-I52 HydrophobicContact CG-CD1 4Å |
| 45 | S | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | trans | -64.3 | 163.5 | 172.7 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | A47 Q48 R49 E277 | S45-A47 PolarHBondContact O-N 3.5Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 WeakPolarHBondContact OG-CG 3.21Å; S45-Q48 PolarHBondContact OG-N 3.45Å; S45-R49 WeakPolarHBondContact O-CG 3.29Å; S45-R49 PolarHBondContact O-N 2.95Å; S45-E277 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 46 | A | 98.1 | Very high | 98.2 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.1 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q48 R49 L50 P87 E277 | A46-Q48 PolarHBondContact O-N 3.28Å; A46-R49 PolarHBondContact O-N 3.44Å; A46-L50 WeakPolarHBondContact O-CG 3.41Å; A46-L50 PolarHBondContact O-N 2.86Å; A46-P87 HydrophobicContact CB-CG 4.19Å; A46-E277 WeakPolarHBondContact CB-OE1 3.3Å; A46-E277 VanDerWaalsContact N-CD 3.28Å; A46-E277 PolarHBondContact N-OE1 2.89Å; A46-E277 PolarHBondContact N-OE2 3.46Å |
| 47 | A | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 32.9 Ų | 32.9 | 48% | 0.479 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S45 R49 L50 E51 | S45-A47 PolarHBondContact O-N 3.5Å; A47-R49 VanDerWaalsContact C-N 3.35Å; A47-R49 PolarHBondContact O-N 3.21Å; A47-L50 WeakPolarHBondContact O-CB 3.42Å; A47-L50 PolarHBondContact O-N 3.31Å; A47-E51 PolarHBondContact O-N 3.04Å |
| 48 | Q | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 176.7 | -71.4 | 174.5 | -28 | 0 | 0 | 111.9 | C11 F14 R44 S45 A46 L50 E51 I52 | C11-Q48 PolarHBondContact O-NE2 3.44Å; F14-Q48 HydrophobicContact CD1-CG 3.96Å; F14-Q48 HydrophobicContact CD2-CB 4.34Å; F14-Q48 HydrophobicContact CD2-CG 4.29Å; F14-Q48 HydrophobicContact CE1-CB 4.21Å; F14-Q48 HydrophobicContact CE1-CG 4.02Å; F14-Q48 HydrophobicContact CE2-CB 3.99Å; F14-Q48 HydrophobicContact CE2-CG 4.35Å; F14-Q48 HydrophobicContact CG-CG 4.09Å; F14-Q48 HydrophobicContact CZ-CB 3.91Å; F14-Q48 HydrophobicContact CZ-CG 4.21Å; R44-Q48 HydrophobicContact CB-CB 3.97Å; S45-Q48 PolarHBondContact O-N 3.27Å; S45-Q48 WeakPolarHBondContact OG-CG 3.21Å; S45-Q48 PolarHBondContact OG-N 3.45Å; A46-Q48 PolarHBondContact O-N 3.28Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.01Å; Q48-E51 WeakPolarHBondContact O-CB 3.45Å; Q48-E51 PolarHBondContact O-N 3.1Å; Q48-I52 VanDerWaalsContact O-CG1 3.3Å; Q48-I52 WeakPolarHBondContact O-CG1 3.2Å; Q48-I52 PolarHBondContact O-N 3.1Å |
| 49 | R | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -35.4 | 173.8 | -68.8 | -171.9 | -66.1 | -111 | -2.6 | 111.8 | L41 R44 S45 A46 A47 I52 K53 M83 E277 | L41-R49 HydrophobicContact CD2-CG 4.23Å; L41-R49 PolarHBondContact O-NH1 3.2Å; R44-R49 HydrophobicContact CB-CG 3.92Å; R44-R49 PolarHBondContact O-NH1 3.3Å; S45-R49 WeakPolarHBondContact O-CG 3.29Å; S45-R49 PolarHBondContact O-N 2.95Å; A46-R49 PolarHBondContact O-N 3.44Å; A47-R49 VanDerWaalsContact C-N 3.35Å; A47-R49 PolarHBondContact O-N 3.21Å; R49-I52 WeakPolarHBondContact O-CB 3.41Å; R49-I52 PolarHBondContact O-N 3.41Å; R49-K53 WeakPolarHBondContact O-CG 3.37Å; R49-K53 PolarHBondContact O-N 2.87Å; R49-M83 WeakPolarHBondContact CD-O 3.23Å; R49-M83 PolarHBondContact NE-O 3.38Å; R49-E277 IonicContact CZ-OE1 2.92Å; R49-E277 IonicContact NH1-OE1 2.83Å; R49-E277 IonicContact NH2-OE1 3.72Å; R49-E277 PolarHBondContact NH2-OE1 3.44Å |
| 50 | L | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 43.2 Ų | 43.2 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 172.2 | -64.1 | 177 | 0 | 0 | 0 | 112.1 | A46 A47 Q48 I52 K53 Q54 A86 | A46-L50 WeakPolarHBondContact O-CG 3.41Å; A46-L50 PolarHBondContact O-N 2.86Å; A47-L50 WeakPolarHBondContact O-CB 3.42Å; A47-L50 PolarHBondContact O-N 3.31Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.01Å; L50-I52 VanDerWaalsContact C-N 3.3Å; L50-I52 PolarHBondContact O-N 3.43Å; L50-K53 HydrophobicContact CD2-CD 4.18Å; L50-K53 WeakPolarHBondContact O-CB 3.43Å; L50-K53 PolarHBondContact O-N 2.94Å; L50-Q54 PolarHBondContact O-N 3.18Å; L50-A86 HydrophobicContact CD1-CB 3.96Å |
| 51 | E | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 173 | -69.8 | -177.5 | -126 | 0 | 0 | 111.7 | F14 V16 A47 Q48 Q54 A55 | F14-E51 HydrophobicContact CE1-CB 4.05Å; F14-E51 WeakPolarHBondContact CE1-OE2 3.39Å; F14-E51 HydrophobicContact CZ-CB 4.05Å; V16-E51 HydrophobicContact CG2-CB 4.46Å; A47-E51 PolarHBondContact O-N 3.04Å; Q48-E51 WeakPolarHBondContact O-CB 3.45Å; Q48-E51 PolarHBondContact O-N 3.1Å; E51-Q54 PolarHBondContact O-N 3.47Å; E51-A55 VanDerWaalsContact O-CB 3.29Å; E51-A55 WeakPolarHBondContact O-CB 3.26Å; E51-A55 PolarHBondContact O-N 3.07Å |
| 52 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 172.9 | -68 | 168.7 | 0 | 0 | 0 | 110.5 | F14 V16 D19 I20 I23 I40 R44 Q48 R49 L50 Q54 A55 Y56 L64 | F14-I52 HydrophobicContact CE2-CD1 4.07Å; F14-I52 HydrophobicContact CE2-CG1 3.93Å; F14-I52 HydrophobicContact CZ-CG1 4Å; V16-I52 HydrophobicContact CG2-CG1 4.08Å; D19-I52 HydrophobicContact CB-CD1 3.91Å; D19-I52 HydrophobicContact CB-CG1 4.07Å; I20-I52 HydrophobicContact CG2-CG2 3.93Å; I20-I52 WeakPolarHBondContact CG2-O 3.3Å; I23-I52 HydrophobicContact CD1-CG2 3.62Å; I40-I52 HydrophobicContact CG2-CD1 4.16Å; R44-I52 HydrophobicContact CB-CD1 4.48Å; R44-I52 HydrophobicContact CG-CD1 4Å; Q48-I52 VanDerWaalsContact O-CG1 3.3Å; Q48-I52 WeakPolarHBondContact O-CG1 3.2Å; Q48-I52 PolarHBondContact O-N 3.1Å; R49-I52 WeakPolarHBondContact O-CB 3.41Å; R49-I52 PolarHBondContact O-N 3.41Å; L50-I52 VanDerWaalsContact C-N 3.3Å; L50-I52 PolarHBondContact O-N 3.43Å; I52-Q54 PolarHBondContact O-N 3.27Å; I52-A55 PolarHBondContact O-N 3.41Å; I52-Y56 WeakPolarHBondContact O-CB 3.39Å; I52-Y56 PolarHBondContact O-N 3.1Å; I52-L64 HydrophobicContact CG2-CD2 3.76Å |
| 53 | K | 98.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -50.5 | 176.9 | -72.5 | 175.5 | 84.9 | 168.3 | 0 | 111.1 | R49 L50 Y56 F57 L64 E65 L84 D85 | R49-K53 WeakPolarHBondContact O-CG 3.37Å; R49-K53 PolarHBondContact O-N 2.87Å; L50-K53 HydrophobicContact CD2-CD 4.18Å; L50-K53 WeakPolarHBondContact O-CB 3.43Å; L50-K53 PolarHBondContact O-N 2.94Å; K53-Y56 PolarHBondContact O-N 3.42Å; K53-F57 PolarHBondContact O-N 3.4Å; K53-F57 VanDerWaalsContact O-N 3.13Å; K53-L64 HydrophobicContact CG-CB 4.41Å; K53-L64 HydrophobicContact CG-CD2 4.01Å; K53-E65 IonicContact NZ-OE2 3.85Å; K53-E65 PolarHBondContact NZ-OE2 3.25Å; K53-L84 HydrophobicContact CD-CB 4.02Å; K53-L84 HydrophobicContact CD-CD2 4.43Å; K53-L84 WeakPolarHBondContact CD-O 3.21Å; K53-L84 HydrophobicContact CG-CD2 4.26Å; K53-L84 PolarHBondContact NZ-O 3.23Å; K53-D85 IonicContact NZ-OD1 2.73Å |
| 54 | Q | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.3 | -51.2 | -179.3 | -177.8 | 178.9 | -8.1 | 0 | 0 | 111.7 | L50 E51 I52 Y56 F57 E58 | L50-Q54 PolarHBondContact O-N 3.18Å; E51-Q54 PolarHBondContact O-N 3.47Å; I52-Q54 PolarHBondContact O-N 3.27Å; Q54-Y56 VanDerWaalsContact C-N 3.28Å; Q54-Y56 PolarHBondContact O-N 3.07Å; Q54-F57 PolarHBondContact O-N 2.97Å; Q54-E58 HydrophobicContact CG-CG 4.47Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.28Å; Q54-E58 PolarHBondContact NE2-OE1 3.43Å; Q54-E58 WeakPolarHBondContact O-CG 3.35Å; Q54-E58 PolarHBondContact O-N 3.5Å |
| 55 | A | 98.6 | Very high | 98.1 | Very high | 17 Ų | 17 | 53 Ų | 53 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66 | -31.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V16 I20 E51 I52 K59 | V16-A55 HydrophobicContact CG1-CB 4.45Å; V16-A55 HydrophobicContact CG2-CB 3.52Å; I20-A55 HydrophobicContact CD1-CB 4.09Å; I20-A55 HydrophobicContact CG2-CB 4.17Å; E51-A55 VanDerWaalsContact O-CB 3.29Å; E51-A55 WeakPolarHBondContact O-CB 3.26Å; E51-A55 PolarHBondContact O-N 3.07Å; I52-A55 PolarHBondContact O-N 3.41Å; A55-K59 VanDerWaalsContact O-CB 3.26Å; A55-K59 WeakPolarHBondContact O-CB 3.27Å; A55-K59 PolarHBondContact O-N 2.87Å |
| 56 | Y | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 175.3 | -169.3 | -83.6 | 0 | 0 | 0 | 110.5 | I20 I23 R24 I52 K53 Q54 K59 Y60 D62 L64 V67 | I20-Y56 HydrophobicContact CB-CD2 3.93Å; I20-Y56 HydrophobicContact CG2-CD2 4.23Å; I23-Y56 HydrophobicContact CG2-CE2 4.17Å; R24-Y56 HydrophobicContact CB-CE2 4.08Å; R24-Y56 VanDerWaalsContact CD-OH 3.28Å; R24-Y56 WeakPolarHBondContact CD-OH 3.25Å; R24-Y56 PolarHBondContact NH1-OH 3.31Å; I52-Y56 WeakPolarHBondContact O-CB 3.39Å; I52-Y56 PolarHBondContact O-N 3.1Å; K53-Y56 PolarHBondContact O-N 3.42Å; Q54-Y56 VanDerWaalsContact C-N 3.28Å; Q54-Y56 PolarHBondContact O-N 3.07Å; Y56-K59 PolarHBondContact O-N 3.44Å; Y56-Y60 HydrophobicContact CD1-CD2 4.2Å; Y56-Y60 AromaticContact CD2-CD2 3.78Å; Y56-Y60 HydrophobicContact CD2-CD2 3.78Å; Y56-Y60 HydrophobicContact CD2-CE2 4.03Å; Y56-Y60 HydrophobicContact CE1-CD2 4.25Å; Y56-Y60 AromaticContact CE2-CD2 3.81Å; Y56-Y60 HydrophobicContact CE2-CD2 3.81Å; Y56-Y60 HydrophobicContact CE2-CE2 4.07Å; Y56-Y60 AromaticContact CG-CD2 3.98Å; Y56-Y60 HydrophobicContact CG-CD2 3.98Å; Y56-Y60 WeakPolarHBondContact O-CB 3.45Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.06Å; Y56-Y60 PolarHBondContact O-N 2.93Å; Y56-D62 VanDerWaalsContact CD1-O 3.31Å; Y56-D62 WeakPolarHBondContact CD1-O 3.33Å; Y56-D62 HydrophobicContact CE1-CB 3.91Å; Y56-L64 HydrophobicContact CD1-CB 3.9Å; Y56-L64 HydrophobicContact CD1-CD1 4.38Å; Y56-L64 HydrophobicContact CD2-CD1 4.07Å; Y56-L64 HydrophobicContact CE1-CB 4.44Å; Y56-L64 HydrophobicContact CE1-CD1 4.41Å; Y56-L64 HydrophobicContact CE2-CD1 4.13Å; Y56-L64 HydrophobicContact CG-CB 4.06Å; Y56-L64 HydrophobicContact CG-CD1 4.21Å; Y56-V67 HydrophobicContact CE1-CG2 3.95Å |
| 57 | F | 98.2 | Very high | 98 | Very high | 84 Ų | 84 | 57.4 Ų | 57.4 | 37% | 0.368 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 175.3 | 178.8 | -99.8 | 0 | 0 | 0 | 111.7 | K53 Q54 K59 Y60 D61 D62 E63 | K53-F57 PolarHBondContact O-N 3.4Å; K53-F57 VanDerWaalsContact O-N 3.13Å; Q54-F57 PolarHBondContact O-N 2.97Å; F57-K59 PolarHBondContact O-N 3.27Å; F57-K59 VanDerWaalsContact O-N 3.09Å; F57-Y60 PolarHBondContact O-N 2.82Å; F57-D61 VanDerWaalsContact O-CA 3.31Å; F57-D61 WeakPolarHBondContact O-CA 3.5Å; F57-D61 PolarHBondContact O-N 2.81Å; F57-D62 WeakPolarHBondContact CA-O 3.43Å; F57-E63 HydrophobicContact CD2-CG 4.46Å |
| 58 | E | 98.4 | Very high | 98 | Very high | 134 Ų | 134 | 54.7 Ų | 54.7 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.1 | -31.3 | -179 | -73 | 176.3 | -176.3 | 0 | 0 | 113.3 | Q54 | Q54-E58 HydrophobicContact CG-CG 4.47Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.28Å; Q54-E58 PolarHBondContact NE2-OE1 3.43Å; Q54-E58 WeakPolarHBondContact O-CG 3.35Å; Q54-E58 PolarHBondContact O-N 3.5Å |
| 59 | K | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 57 Ų | 57 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -91.7 | -37.5 | -176.4 | -175.2 | 173.8 | 179.7 | -174.2 | 0 | 114.3 | I20 K21 A55 Y56 F57 | I20-K59 HydrophobicContact CD1-CB 4.16Å; I20-K59 HydrophobicContact CD1-CD 3.41Å; I20-K59 VanDerWaalsContact CD1-CD 3.41Å; I20-K59 HydrophobicContact CD1-CG 4.47Å; I20-K59 HydrophobicContact CG1-CD 4.12Å; K21-K59 VanDerWaalsContact CE-NZ 3.34Å; A55-K59 VanDerWaalsContact O-CB 3.26Å; A55-K59 WeakPolarHBondContact O-CB 3.27Å; A55-K59 PolarHBondContact O-N 2.87Å; Y56-K59 PolarHBondContact O-N 3.44Å; F57-K59 PolarHBondContact O-N 3.27Å; F57-K59 VanDerWaalsContact O-N 3.09Å |
| 60 | Y | 97.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -112.6 | -8.7 | -170.5 | -60.7 | -62.4 | 0 | 0 | 0 | 113.8 | I20 R24 Y56 F57 D62 | I20-Y60 HydrophobicContact CB-CE2 4.2Å; I20-Y60 HydrophobicContact CG1-CE2 4.21Å; R24-Y60 HydrophobicContact CB-CE2 4.03Å; R24-Y60 HydrophobicContact CG-CD1 4.49Å; R24-Y60 HydrophobicContact CG-CE1 4.09Å; R24-Y60 HydrophobicContact CG-CE2 4.3Å; Y56-Y60 HydrophobicContact CD1-CD2 4.2Å; Y56-Y60 AromaticContact CD2-CD2 3.78Å; Y56-Y60 HydrophobicContact CD2-CD2 3.78Å; Y56-Y60 HydrophobicContact CD2-CE2 4.03Å; Y56-Y60 HydrophobicContact CE1-CD2 4.25Å; Y56-Y60 AromaticContact CE2-CD2 3.81Å; Y56-Y60 HydrophobicContact CE2-CD2 3.81Å; Y56-Y60 HydrophobicContact CE2-CE2 4.07Å; Y56-Y60 AromaticContact CG-CD2 3.98Å; Y56-Y60 HydrophobicContact CG-CD2 3.98Å; Y56-Y60 WeakPolarHBondContact O-CB 3.45Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.06Å; Y56-Y60 PolarHBondContact O-N 2.93Å; F57-Y60 PolarHBondContact O-N 2.82Å; Y60-D62 PolarHBondContact O-N 2.92Å |
| 61 | D | 97.2 | Very high | 97.7 | Very high | 129 Ų | 129 | 64.7 Ų | 64.7 | 69% | 0.69 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 56.3 | 31.3 | -175.3 | -158 | 39.9 | 0 | 0 | 0 | 112.4 | F57 | F57-D61 VanDerWaalsContact O-CA 3.31Å; F57-D61 WeakPolarHBondContact O-CA 3.5Å; F57-D61 PolarHBondContact O-N 2.81Å |
| 62 | D | 96.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -128.8 | 137.3 | -178.2 | -80.3 | -30.5 | 0 | 0 | 0 | 109 | R24 Y56 F57 Y60 L64 V67 | R24-D62 IonicContact CZ-OD2 3.73Å; R24-D62 VanDerWaalsContact CZ-OD2 3.29Å; R24-D62 IonicContact NH1-OD2 2.97Å; R24-D62 PolarHBondContact NH1-OD2 2.81Å; R24-D62 IonicContact NH2-OD2 3.93Å; R24-D62 PolarHBondContact NH2-OD2 3.33Å; Y56-D62 VanDerWaalsContact CD1-O 3.31Å; Y56-D62 WeakPolarHBondContact CD1-O 3.33Å; Y56-D62 HydrophobicContact CE1-CB 3.91Å; F57-D62 WeakPolarHBondContact CA-O 3.43Å; Y60-D62 PolarHBondContact O-N 2.92Å; D62-L64 PolarHBondContact O-N 3.3Å; D62-V67 HydrophobicContact CB-CG2 4Å |
| 63 | E | 97.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | trans | -76.8 | 118.6 | 174.3 | -70 | -65.9 | 168.9 | 0 | 0 | 110.8 | F57 E65 E66 V67 | F57-E63 HydrophobicContact CD2-CG 4.46Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 3.28Å; E63-E66 HydrophobicContact CB-CB 4.05Å; E63-E66 HydrophobicContact CB-CG 3.97Å; E63-E66 PolarHBondContact O-N 3.48Å; E63-E66 VanDerWaalsContact O-N 3.1Å; E63-V67 WeakPolarHBondContact O-CG2 3.46Å; E63-V67 PolarHBondContact O-N 3.2Å | ||
| 64 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.8 | -43 | -174.6 | 174.1 | 58.5 | 0 | 0 | 0 | 112.7 | I23 I52 K53 Y56 D62 E66 V67 L68 L84 | I23-L64 HydrophobicContact CD1-CD2 4.37Å; I23-L64 HydrophobicContact CG2-CD1 3.67Å; I52-L64 HydrophobicContact CG2-CD2 3.76Å; K53-L64 HydrophobicContact CG-CB 4.41Å; K53-L64 HydrophobicContact CG-CD2 4.01Å; Y56-L64 HydrophobicContact CD1-CB 3.9Å; Y56-L64 HydrophobicContact CD1-CD1 4.38Å; Y56-L64 HydrophobicContact CD2-CD1 4.07Å; Y56-L64 HydrophobicContact CE1-CB 4.44Å; Y56-L64 HydrophobicContact CE1-CD1 4.41Å; Y56-L64 HydrophobicContact CE2-CD1 4.13Å; Y56-L64 HydrophobicContact CG-CB 4.06Å; Y56-L64 HydrophobicContact CG-CD1 4.21Å; D62-L64 PolarHBondContact O-N 3.3Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 2.88Å; L64-V67 PolarHBondContact O-N 3.46Å; L64-L68 HydrophobicContact CD1-CD1 3.73Å; L64-L68 HydrophobicContact CD1-CG 4.01Å; L64-L68 HydrophobicContact CG-CD1 3.97Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.32Å; L64-L84 HydrophobicContact CD2-CD2 4.12Å |
| 65 | E | 97.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 178.5 | -172.8 | 179.6 | 143.9 | 0 | 0 | 111.3 | K53 E63 V67 L68 K69 V81 L84 K93 | K53-E65 IonicContact NZ-OE2 3.85Å; K53-E65 PolarHBondContact NZ-OE2 3.25Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 3.28Å; E65-V67 PolarHBondContact O-N 3.03Å; E65-L68 PolarHBondContact O-N 3.39Å; E65-K69 WeakPolarHBondContact O-CG 3.32Å; E65-K69 PolarHBondContact O-N 3.17Å; E65-K69 WeakPolarHBondContact OE1-CE 3.39Å; E65-K69 IonicContact OE1-NZ 3.35Å; E65-K69 PolarHBondContact OE1-NZ 3.36Å; E65-V81 HydrophobicContact CG-CG1 4.06Å; E65-V81 HydrophobicContact CG-CG2 4.23Å; E65-L84 HydrophobicContact CB-CD1 4.41Å; E65-K93 IonicContact OE1-NZ 3.12Å |
| 66 | E | 97.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 61.2 Ų | 61.2 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.3 | -28 | 179.1 | -63.8 | -58.9 | 120.7 | 0 | 0 | 113 | E63 L64 K69 K70 | E63-E66 HydrophobicContact CB-CB 4.05Å; E63-E66 HydrophobicContact CB-CG 3.97Å; E63-E66 PolarHBondContact O-N 3.48Å; E63-E66 VanDerWaalsContact O-N 3.1Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 2.88Å; E66-K69 IonicContact OE1-NZ 2.7Å; E66-K69 PolarHBondContact OE1-NZ 3.48Å; E66-K70 WeakPolarHBondContact O-CD 3.31Å; E66-K70 VanDerWaalsContact O-CG 3.3Å; E66-K70 WeakPolarHBondContact O-CG 3.46Å; E66-K70 PolarHBondContact O-N 3.24Å |
| 67 | V | 97.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -50.6 | 168.6 | 176.5 | 0 | 0 | 0 | 0 | 109.5 | C27 Y56 D62 E63 L64 E65 K69 K70 E71 | C27-V67 HydrophobicContact CB-CG1 4.22Å; Y56-V67 HydrophobicContact CE1-CG2 3.95Å; D62-V67 HydrophobicContact CB-CG2 4Å; E63-V67 WeakPolarHBondContact O-CG2 3.46Å; E63-V67 PolarHBondContact O-N 3.2Å; L64-V67 PolarHBondContact O-N 3.46Å; E65-V67 PolarHBondContact O-N 3.03Å; V67-K69 PolarHBondContact O-N 3.12Å; V67-K70 WeakPolarHBondContact O-CB 3.46Å; V67-K70 PolarHBondContact O-N 2.83Å; V67-K70 VanDerWaalsContact O-N 3.1Å; V67-E71 WeakPolarHBondContact O-CG 3.48Å; V67-E71 PolarHBondContact O-N 3.43Å |
| 68 | L | 97.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.3 | -36.6 | -175.9 | -68.6 | 169.7 | 0 | 0 | 0 | 112.6 | I37 L64 E65 K70 E71 L72 V80 L84 | I37-L68 HydrophobicContact CD1-CD2 3.73Å; I37-L68 HydrophobicContact CG1-CD2 4.31Å; I37-L68 HydrophobicContact CG2-CD2 4.17Å; L64-L68 HydrophobicContact CD1-CD1 3.73Å; L64-L68 HydrophobicContact CD1-CG 4.01Å; L64-L68 HydrophobicContact CG-CD1 3.97Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.32Å; E65-L68 PolarHBondContact O-N 3.39Å; L68-K70 PolarHBondContact O-N 2.91Å; L68-E71 PolarHBondContact O-N 3.45Å; L68-E71 VanDerWaalsContact O-N 3.13Å; L68-L72 HydrophobicContact CB-CD1 4.36Å; L68-L72 HydrophobicContact CD2-CD1 4.42Å; L68-L72 VanDerWaalsContact O-CB 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.06Å; L68-V80 HydrophobicContact CB-CG1 4.35Å; L68-V80 HydrophobicContact CD1-CG1 3.86Å; L68-L84 HydrophobicContact CD1-CD1 3.61Å |
| 69 | K | 97.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -23.2 | 172.3 | -71.1 | 178.6 | -174 | 154.2 | 0 | 114.5 | E65 E66 V67 E77 V81 | E65-K69 WeakPolarHBondContact O-CG 3.32Å; E65-K69 PolarHBondContact O-N 3.17Å; E65-K69 WeakPolarHBondContact OE1-CE 3.39Å; E65-K69 IonicContact OE1-NZ 3.35Å; E65-K69 PolarHBondContact OE1-NZ 3.36Å; E66-K69 IonicContact OE1-NZ 2.7Å; E66-K69 PolarHBondContact OE1-NZ 3.48Å; V67-K69 PolarHBondContact O-N 3.12Å; K69-E77 WeakPolarHBondContact CB-OE1 3.49Å; K69-E77 HydrophobicContact CG-CG 4.25Å; K69-E77 WeakPolarHBondContact CG-OE1 3.46Å; K69-V81 HydrophobicContact CD-CG2 4.43Å; K69-V81 HydrophobicContact CG-CG2 3.76Å |
| 70 | K | 96.5 | Very high | 97.4 | Very high | 161 Ų | 161 | 52.1 Ų | 52.1 | 70% | 0.7 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -83.5 | -28.5 | 175.7 | -70 | 168.8 | -169.9 | 168.9 | 0 | 112.6 | E66 V67 L68 | E66-K70 WeakPolarHBondContact O-CD 3.31Å; E66-K70 VanDerWaalsContact O-CG 3.3Å; E66-K70 WeakPolarHBondContact O-CG 3.46Å; E66-K70 PolarHBondContact O-N 3.24Å; V67-K70 WeakPolarHBondContact O-CB 3.46Å; V67-K70 PolarHBondContact O-N 2.83Å; V67-K70 VanDerWaalsContact O-N 3.1Å; L68-K70 PolarHBondContact O-N 2.91Å |
| 71 | E | 96.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -93.3 | -26.1 | -175.6 | -63.5 | -55.1 | 150.1 | 0 | 0 | 112.8 | C27 T32 V67 L68 | C27-E71 HydrophobicContact CB-CG 3.93Å; T32-E71 HydrophobicContact CG2-CB 4.15Å; T32-E71 PolarHBondContact OG1-O 3.43Å; T32-E71 PolarHBondContact OG1-OE2 3.13Å; V67-E71 WeakPolarHBondContact O-CG 3.48Å; V67-E71 PolarHBondContact O-N 3.43Å; L68-E71 PolarHBondContact O-N 3.45Å; L68-E71 VanDerWaalsContact O-N 3.13Å |
| 72 | L | 97.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -111.7 | 159.9 | -175.8 | -52.1 | -175 | 0 | 0 | 0 | 110.3 | T32 E34 I37 L68 F76 E77 V80 | T32-L72 HydrophobicContact CG2-CD2 4.1Å; E34-L72 HydrophobicContact CG-CD2 4.16Å; I37-L72 HydrophobicContact CD1-CD2 4.47Å; L68-L72 HydrophobicContact CB-CD1 4.36Å; L68-L72 HydrophobicContact CD2-CD1 4.42Å; L68-L72 VanDerWaalsContact O-CB 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.06Å; L72-F76 HydrophobicContact CB-CD1 4.39Å; L72-F76 HydrophobicContact CD1-CD1 4.18Å; L72-F76 HydrophobicContact CD1-CE1 3.84Å; L72-F76 HydrophobicContact CD1-CZ 4.26Å; L72-F76 HydrophobicContact CD2-CD1 3.91Å; L72-F76 HydrophobicContact CD2-CE1 3.46Å; L72-F76 VanDerWaalsContact CD2-CE1 3.46Å; L72-F76 HydrophobicContact CD2-CZ 4.43Å; L72-F76 HydrophobicContact CG-CD1 4.38Å; L72-F76 HydrophobicContact CG-CE1 4.17Å; L72-E77 HydrophobicContact CB-CB 3.84Å; L72-E77 HydrophobicContact CB-CG 4.17Å; L72-V80 HydrophobicContact CD1-CB 3.85Å; L72-V80 HydrophobicContact CD1-CG1 3.79Å; L72-V80 HydrophobicContact CD1-CG2 3.75Å | ||
| 73 | T | 96.4 | Very high | 97.6 | Very high | 114 Ų | 114 | 41.7 Ų | 41.7 | 70% | 0.699 | 22% | 0.219 | S | C | * | . | trans | -141.4 | 158.4 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | E77 | T73-E77 VanDerWaalsContact CA-OE2 3.32Å; T73-E77 WeakPolarHBondContact CA-OE2 3.33Å; T73-E77 PolarHBondContact O-N 3.19Å | ||
| 74 | G | 97.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 37 Ų | 37 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | 65.5 | -146.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F76 E77 N78 | G74-F76 VanDerWaalsContact C-N 3.26Å; G74-F76 PolarHBondContact O-N 3.36Å; G74-E77 WeakPolarHBondContact O-CB 3.49Å; G74-E77 PolarHBondContact O-N 3.07Å; G74-E77 VanDerWaalsContact O-N 3.12Å; G74-N78 PolarHBondContact O-N 3.32Å |
| 75 | S | 97.4 | Very high | 97.6 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.8 | -24.4 | -172.7 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | A79 E265 F307 | S75-A79 VanDerWaalsContact O-CB 3.32Å; S75-A79 WeakPolarHBondContact O-CB 3.11Å; S75-A79 PolarHBondContact O-N 3.26Å; S75-E265 WeakPolarHBondContact CB-OE2 3.49Å; S75-E265 PolarHBondContact OG-OE2 3.06Å; S75-F307 VanDerWaalsContact O-CD2 3.3Å; S75-F307 WeakPolarHBondContact O-CD2 3.46Å |
| 76 | F | 98.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -45 | 170 | -179.2 | -131.9 | 0 | 0 | 0 | 111.7 | E34 I38 L72 G74 A79 V80 D306 F307 L310 | E34-F76 HydrophobicContact CB-CE1 3.72Å; E34-F76 HydrophobicContact CB-CZ 3.95Å; E34-F76 HydrophobicContact CG-CD1 4.38Å; E34-F76 HydrophobicContact CG-CE1 3.56Å; E34-F76 HydrophobicContact CG-CZ 4.31Å; I38-F76 HydrophobicContact CD1-CE2 3.84Å; I38-F76 HydrophobicContact CD1-CZ 3.93Å; I38-F76 HydrophobicContact CG1-CE2 3.72Å; I38-F76 HydrophobicContact CG1-CZ 3.81Å; L72-F76 HydrophobicContact CB-CD1 4.39Å; L72-F76 HydrophobicContact CD1-CD1 4.18Å; L72-F76 HydrophobicContact CD1-CE1 3.84Å; L72-F76 HydrophobicContact CD1-CZ 4.26Å; L72-F76 HydrophobicContact CD2-CD1 3.91Å; L72-F76 HydrophobicContact CD2-CE1 3.46Å; L72-F76 VanDerWaalsContact CD2-CE1 3.46Å; L72-F76 HydrophobicContact CD2-CZ 4.43Å; L72-F76 HydrophobicContact CG-CD1 4.38Å; L72-F76 HydrophobicContact CG-CE1 4.17Å; G74-F76 VanDerWaalsContact C-N 3.26Å; G74-F76 PolarHBondContact O-N 3.36Å; F76-A79 PolarHBondContact O-N 3.17Å; F76-V80 HydrophobicContact CD2-CG2 4.02Å; F76-V80 HydrophobicContact CE2-CG2 3.58Å; F76-V80 HydrophobicContact CZ-CG2 3.91Å; F76-V80 WeakPolarHBondContact O-CG2 3.15Å; F76-V80 PolarHBondContact O-N 3.04Å; F76-D306 HydrophobicContact CD1-CB 3.84Å; F76-D306 HydrophobicContact CD2-CB 4.08Å; F76-D306 HydrophobicContact CE1-CB 3.85Å; F76-D306 HydrophobicContact CE2-CB 4.1Å; F76-D306 HydrophobicContact CG-CB 3.96Å; F76-D306 HydrophobicContact CZ-CB 4Å; F76-F307 HydrophobicContact CB-CB 4.05Å; F76-L310 HydrophobicContact CD2-CB 4.19Å; F76-L310 HydrophobicContact CD2-CD2 3.98Å; F76-L310 HydrophobicContact CE2-CB 3.98Å; F76-L310 HydrophobicContact CE2-CD2 3.91Å; F76-L310 HydrophobicContact CE2-CG 4.45Å |
| 77 | E | 98.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 173.2 | -176.5 | -166.5 | 158.2 | 0 | 0 | 111.1 | K69 L72 T73 G74 A79 V80 V81 | K69-E77 WeakPolarHBondContact CB-OE1 3.49Å; K69-E77 HydrophobicContact CG-CG 4.25Å; K69-E77 WeakPolarHBondContact CG-OE1 3.46Å; L72-E77 HydrophobicContact CB-CB 3.84Å; L72-E77 HydrophobicContact CB-CG 4.17Å; T73-E77 VanDerWaalsContact CA-OE2 3.32Å; T73-E77 WeakPolarHBondContact CA-OE2 3.33Å; T73-E77 PolarHBondContact O-N 3.19Å; G74-E77 WeakPolarHBondContact O-CB 3.49Å; G74-E77 PolarHBondContact O-N 3.07Å; G74-E77 VanDerWaalsContact O-N 3.12Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.15Å; E77-V80 PolarHBondContact O-N 2.98Å; E77-V81 HydrophobicContact CG-CG2 4.41Å; E77-V81 WeakPolarHBondContact O-CB 3.42Å; E77-V81 VanDerWaalsContact O-CG2 3.31Å; E77-V81 WeakPolarHBondContact O-CG2 3.06Å; E77-V81 PolarHBondContact O-N 3.16Å |
| 78 | N | 98.2 | Very high | 97.7 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 180 | -68.1 | -17.5 | 0 | 0 | 0 | 112 | G74 V81 A82 I269 | G74-N78 PolarHBondContact O-N 3.32Å; N78-V81 PolarHBondContact O-N 3.26Å; N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 3.48Å; N78-I269 HydrophobicContact CB-CD1 3.82Å |
| 79 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | S75 F76 E77 A82 M83 I269 F307 L310 | S75-A79 VanDerWaalsContact O-CB 3.32Å; S75-A79 WeakPolarHBondContact O-CB 3.11Å; S75-A79 PolarHBondContact O-N 3.26Å; F76-A79 PolarHBondContact O-N 3.17Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.15Å; A79-A82 WeakPolarHBondContact O-CB 3.23Å; A79-A82 PolarHBondContact O-N 2.65Å; A79-M83 WeakPolarHBondContact O-CG 3.36Å; A79-M83 PolarHBondContact O-N 3.42Å; A79-M83 VanDerWaalsContact O-N 3.1Å; A79-I269 HydrophobicContact CB-CD1 4.04Å; A79-I269 HydrophobicContact CB-CG1 3.85Å; A79-I269 HydrophobicContact CB-CG2 4.48Å; A79-F307 HydrophobicContact CB-CD2 4.12Å; A79-F307 HydrophobicContact CB-CE2 4.05Å; A79-L310 HydrophobicContact CB-CD2 3.49Å; A79-L310 VanDerWaalsContact CB-CD2 3.49Å |
| 80 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 176.4 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | L41 L68 L72 F76 E77 A82 M83 L84 L310 | L41-V80 HydrophobicContact CD1-CB 4.49Å; L41-V80 HydrophobicContact CD1-CG1 3.72Å; L41-V80 HydrophobicContact CD1-CG2 4.38Å; L68-V80 HydrophobicContact CB-CG1 4.35Å; L68-V80 HydrophobicContact CD1-CG1 3.86Å; L72-V80 HydrophobicContact CD1-CB 3.85Å; L72-V80 HydrophobicContact CD1-CG1 3.79Å; L72-V80 HydrophobicContact CD1-CG2 3.75Å; F76-V80 HydrophobicContact CD2-CG2 4.02Å; F76-V80 HydrophobicContact CE2-CG2 3.58Å; F76-V80 HydrophobicContact CZ-CG2 3.91Å; F76-V80 WeakPolarHBondContact O-CG2 3.15Å; F76-V80 PolarHBondContact O-N 3.04Å; E77-V80 PolarHBondContact O-N 2.98Å; V80-A82 VanDerWaalsContact C-N 3.35Å; V80-A82 PolarHBondContact O-N 3.41Å; V80-M83 PolarHBondContact O-N 3.38Å; V80-L84 HydrophobicContact CG1-CD1 4.41Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.33Å; V80-L310 HydrophobicContact CG2-CD2 3.9Å |
| 81 | V | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | E65 K69 E77 N78 M83 L84 D85 | E65-V81 HydrophobicContact CG-CG1 4.06Å; E65-V81 HydrophobicContact CG-CG2 4.23Å; K69-V81 HydrophobicContact CD-CG2 4.43Å; K69-V81 HydrophobicContact CG-CG2 3.76Å; E77-V81 HydrophobicContact CG-CG2 4.41Å; E77-V81 WeakPolarHBondContact O-CB 3.42Å; E77-V81 VanDerWaalsContact O-CG2 3.31Å; E77-V81 WeakPolarHBondContact O-CG2 3.06Å; E77-V81 PolarHBondContact O-N 3.16Å; N78-V81 PolarHBondContact O-N 3.26Å; V81-M83 VanDerWaalsContact C-N 3.3Å; V81-M83 PolarHBondContact O-N 3.16Å; V81-L84 WeakPolarHBondContact O-CB 3.32Å; V81-L84 PolarHBondContact O-N 2.9Å; V81-D85 PolarHBondContact O-N 2.99Å |
| 82 | A | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 5% | 0.05 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.8 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N78 A79 V80 L84 D85 F90 I269 V273 | N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 3.48Å; A79-A82 WeakPolarHBondContact O-CB 3.23Å; A79-A82 PolarHBondContact O-N 2.65Å; V80-A82 VanDerWaalsContact C-N 3.35Å; V80-A82 PolarHBondContact O-N 3.41Å; A82-L84 VanDerWaalsContact C-N 3.25Å; A82-L84 PolarHBondContact O-N 3.05Å; A82-D85 PolarHBondContact O-N 2.72Å; A82-F90 HydrophobicContact CB-CD2 3.75Å; A82-F90 HydrophobicContact CB-CE2 3.44Å; A82-F90 VanDerWaalsContact CB-CE2 3.44Å; A82-F90 HydrophobicContact CB-CZ 4.08Å; A82-I269 HydrophobicContact CB-CG2 3.74Å; A82-V273 HydrophobicContact CB-CG1 4.27Å; A82-V273 HydrophobicContact CB-CG2 4.43Å |
| 83 | M | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -24.3 | 177.2 | -68.4 | 179.8 | 76.1 | 0 | 0 | 113.5 | L41 V42 R49 A79 V80 V81 D85 V273 L310 I314 | L41-M83 HydrophobicContact CB-CE 4.06Å; L41-M83 WeakPolarHBondContact O-CE 3.49Å; V42-M83 HydrophobicContact CG1-CE 4.14Å; R49-M83 WeakPolarHBondContact CD-O 3.23Å; R49-M83 PolarHBondContact NE-O 3.38Å; A79-M83 WeakPolarHBondContact O-CG 3.36Å; A79-M83 PolarHBondContact O-N 3.42Å; A79-M83 VanDerWaalsContact O-N 3.1Å; V80-M83 PolarHBondContact O-N 3.38Å; V81-M83 VanDerWaalsContact C-N 3.3Å; V81-M83 PolarHBondContact O-N 3.16Å; M83-D85 VanDerWaalsContact C-N 3.31Å; M83-V273 HydrophobicContact CG-CG1 3.88Å; M83-V273 HydrophobicContact CG-CG2 3.84Å; M83-L310 HydrophobicContact SD-CD1 3.74Å; M83-L310 HydrophobicContact SD-CD2 4.23Å; M83-L310 HydrophobicContact SD-CG 4.31Å; M83-I314 HydrophobicContact CE-CD1 4.19Å; M83-I314 HydrophobicContact CE-CG1 4.15Å; M83-I314 HydrophobicContact SD-CD1 3.79Å; M83-I314 HydrophobicContact SD-CG1 4.33Å |
| 84 | L | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.4 | 179.5 | -67.4 | 174.7 | 0 | 0 | 0 | 113.3 | L41 K53 L64 E65 L68 V80 V81 A82 | L41-L84 HydrophobicContact CD2-CD2 3.88Å; K53-L84 HydrophobicContact CD-CB 4.02Å; K53-L84 HydrophobicContact CD-CD2 4.43Å; K53-L84 WeakPolarHBondContact CD-O 3.21Å; K53-L84 HydrophobicContact CG-CD2 4.26Å; K53-L84 PolarHBondContact NZ-O 3.23Å; L64-L84 HydrophobicContact CD2-CD2 4.12Å; E65-L84 HydrophobicContact CB-CD1 4.41Å; L68-L84 HydrophobicContact CD1-CD1 3.61Å; V80-L84 HydrophobicContact CG1-CD1 4.41Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.33Å; V81-L84 WeakPolarHBondContact O-CB 3.32Å; V81-L84 PolarHBondContact O-N 2.9Å; A82-L84 VanDerWaalsContact C-N 3.25Å; A82-L84 PolarHBondContact O-N 3.05Å |
| 85 | D | 97.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -85.5 | 149.2 | 175.2 | -79.4 | -31.4 | 0 | 0 | 0 | 111.4 | K53 V81 A82 M83 V89 F90 K93 | K53-D85 IonicContact NZ-OD1 2.73Å; V81-D85 PolarHBondContact O-N 2.99Å; A82-D85 PolarHBondContact O-N 2.72Å; M83-D85 VanDerWaalsContact C-N 3.31Å; D85-V89 HydrophobicContact CB-CB 4.44Å; D85-V89 HydrophobicContact CB-CG1 4.27Å; D85-F90 HydrophobicContact CB-CB 3.83Å; D85-K93 IonicContact OD1-NZ 2.92Å; D85-K93 PolarHBondContact OD1-NZ 3.32Å; D85-K93 VanDerWaalsContact OD2-CD 3.28Å; D85-K93 WeakPolarHBondContact OD2-CD 3.46Å; D85-K93 WeakPolarHBondContact OD2-CE 3.23Å; D85-K93 IonicContact OD2-NZ 3.22Å; D85-K93 PolarHBondContact OD2-NZ 2.96Å |
| 86 | A | 97.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | trans | -61.2 | 142.1 | 161 | 0 | 0 | 0 | 0 | 0 | 108.2 | L50 Q88 V89 F90 | L50-A86 HydrophobicContact CD1-CB 3.96Å; A86-Q88 VanDerWaalsContact C-N 3.28Å; A86-Q88 PolarHBondContact O-N 2.87Å; A86-Q88 VanDerWaalsContact O-N 3.13Å; A86-V89 HydrophobicContact CB-CB 4.28Å; A86-V89 HydrophobicContact CB-CG2 4.13Å; A86-V89 WeakPolarHBondContact O-CA 3.39Å; A86-V89 WeakPolarHBondContact O-CB 3.5Å; A86-V89 PolarHBondContact O-N 3.4Å; A86-F90 PolarHBondContact O-N 2.91Å | ||
| 87 | P | 96.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 44% | 0.435 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -51.2 | -44.6 | -174 | -29.9 | 35.9 | 0 | 0 | 0 | 113.8 | A46 V89 F90 F91 | A46-P87 HydrophobicContact CB-CG 4.19Å; P87-V89 VanDerWaalsContact C-N 3.33Å; P87-V89 PolarHBondContact O-N 3.43Å; P87-F90 WeakPolarHBondContact O-CB 3.42Å; P87-F90 PolarHBondContact O-N 3.29Å; P87-F91 WeakPolarHBondContact O-CD2 3.47Å; P87-F91 PolarHBondContact O-N 3.44Å; P87-F91 VanDerWaalsContact O-N 3.09Å |
| 88 | Q | 98.2 | Very high | 98.2 | Very high | 73 Ų | 73 | 27.1 Ų | 27.1 | 34% | 0.341 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66 | -31.6 | 177.4 | 69 | -78.6 | 12.2 | 0 | 0 | 113.7 | A86 A92 S123 Y124 A127 | A86-Q88 VanDerWaalsContact C-N 3.28Å; A86-Q88 PolarHBondContact O-N 2.87Å; A86-Q88 VanDerWaalsContact O-N 3.13Å; Q88-A92 VanDerWaalsContact O-CB 3.26Å; Q88-A92 WeakPolarHBondContact O-CB 3.45Å; Q88-A92 PolarHBondContact O-N 3.47Å; Q88-S123 WeakPolarHBondContact CB-OG 3.3Å; Q88-Y124 HydrophobicContact CB-CD1 4.09Å; Q88-Y124 HydrophobicContact CB-CE1 4.41Å; Q88-A127 HydrophobicContact CB-CB 4.2Å; Q88-A127 HydrophobicContact CG-CB 3.94Å; Q88-A127 WeakPolarHBondContact O-CB 3.33Å |
| 89 | V | 98.6 | Very high | 98.2 | Very high | 23 Ų | 23 | 23.9 Ų | 23.9 | 14% | 0.139 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.1 | -41.5 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | D85 A86 P87 A92 K93 A127 V131 | D85-V89 HydrophobicContact CB-CB 4.44Å; D85-V89 HydrophobicContact CB-CG1 4.27Å; A86-V89 HydrophobicContact CB-CB 4.28Å; A86-V89 HydrophobicContact CB-CG2 4.13Å; A86-V89 WeakPolarHBondContact O-CA 3.39Å; A86-V89 WeakPolarHBondContact O-CB 3.5Å; A86-V89 PolarHBondContact O-N 3.4Å; P87-V89 VanDerWaalsContact C-N 3.33Å; P87-V89 PolarHBondContact O-N 3.43Å; V89-A92 PolarHBondContact O-N 3.17Å; V89-K93 HydrophobicContact CG1-CD 4.27Å; V89-K93 WeakPolarHBondContact O-CG 3.29Å; V89-K93 PolarHBondContact O-N 2.81Å; V89-A127 HydrophobicContact CG2-CB 4.23Å; V89-V131 HydrophobicContact CG1-CG1 4.01Å; V89-V131 HydrophobicContact CG2-CG1 4.28Å |
| 90 | F | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 31 Ų | 31 | 6% | 0.057 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -53.1 | 175.6 | 172.2 | -118.4 | 0 | 0 | 0 | 111.1 | A82 D85 A86 P87 A92 K93 E94 I269 R270 | A82-F90 HydrophobicContact CB-CD2 3.75Å; A82-F90 HydrophobicContact CB-CE2 3.44Å; A82-F90 VanDerWaalsContact CB-CE2 3.44Å; A82-F90 HydrophobicContact CB-CZ 4.08Å; D85-F90 HydrophobicContact CB-CB 3.83Å; A86-F90 PolarHBondContact O-N 2.91Å; P87-F90 WeakPolarHBondContact O-CB 3.42Å; P87-F90 PolarHBondContact O-N 3.29Å; F90-A92 PolarHBondContact O-N 2.92Å; F90-K93 WeakPolarHBondContact O-CB 3.33Å; F90-K93 PolarHBondContact O-N 3.11Å; F90-K93 VanDerWaalsContact O-N 3.17Å; F90-E94 HydrophobicContact CD2-CG 4.27Å; F90-E94 HydrophobicContact CE1-CG 4.35Å; F90-E94 HydrophobicContact CE2-CG 3.7Å; F90-E94 HydrophobicContact CZ-CG 3.75Å; F90-E94 PolarHBondContact O-N 3.31Å; F90-I269 HydrophobicContact CZ-CG2 4.44Å; F90-R270 HydrophobicContact CE1-CB 4.3Å; F90-R270 HydrophobicContact CE1-CG 3.95Å; F90-R270 HydrophobicContact CZ-CB 4.05Å; F90-R270 HydrophobicContact CZ-CG 4.06Å |
| 91 | F | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 10% | 0.096 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -34.7 | 179 | -72.8 | -64.8 | 0 | 0 | 0 | 113.1 | P87 K93 E94 L95 I112 Y124 R270 | P87-F91 WeakPolarHBondContact O-CD2 3.47Å; P87-F91 PolarHBondContact O-N 3.44Å; P87-F91 VanDerWaalsContact O-N 3.09Å; F91-K93 VanDerWaalsContact C-N 3.34Å; F91-K93 PolarHBondContact O-N 3.45Å; F91-E94 PolarHBondContact O-N 2.74Å; F91-L95 WeakPolarHBondContact O-CB 3.35Å; F91-L95 VanDerWaalsContact O-CG 3.29Å; F91-L95 WeakPolarHBondContact O-CG 3.23Å; F91-L95 PolarHBondContact O-N 3.46Å; F91-I112 HydrophobicContact CB-CG2 4.44Å; F91-I112 HydrophobicContact CD1-CD1 4.03Å; F91-I112 HydrophobicContact CD1-CG1 3.96Å; F91-I112 HydrophobicContact CD1-CG2 4.15Å; F91-I112 HydrophobicContact CE1-CG1 4.38Å; F91-Y124 HydrophobicContact CB-CD1 3.95Å; F91-Y124 HydrophobicContact CB-CD2 4.34Å; F91-Y124 HydrophobicContact CB-CE1 3.68Å; F91-Y124 HydrophobicContact CB-CE2 4.06Å; F91-Y124 HydrophobicContact CB-CG 4.3Å; F91-Y124 AromaticContact CD2-CE1 3.7Å; F91-Y124 HydrophobicContact CD2-CE1 3.7Å; F91-Y124 AromaticContact CD2-CZ 3.6Å; F91-Y124 VanDerWaalsContact CD2-OH 3.28Å; F91-Y124 WeakPolarHBondContact CD2-OH 3.45Å; F91-Y124 HydrophobicContact CG-CE1 4Å; F91-Y124 HydrophobicContact CG-CE2 4.31Å; F91-Y124 AromaticContact CG-CZ 3.76Å; F91-R270 HydrophobicContact CD1-CG 4.44Å; F91-R270 HydrophobicContact CE1-CG 3.88Å |
| 92 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -37.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q88 V89 F90 R96 A127 Y128 V131 | Q88-A92 VanDerWaalsContact O-CB 3.26Å; Q88-A92 WeakPolarHBondContact O-CB 3.45Å; Q88-A92 PolarHBondContact O-N 3.47Å; V89-A92 PolarHBondContact O-N 3.17Å; F90-A92 PolarHBondContact O-N 2.92Å; A92-R96 WeakPolarHBondContact O-CB 3.24Å; A92-R96 PolarHBondContact O-N 3.37Å; A92-A127 HydrophobicContact CB-CB 3.88Å; A92-Y128 HydrophobicContact CB-CD2 4.2Å; A92-Y128 WeakPolarHBondContact O-CD2 3.46Å; A92-V131 HydrophobicContact CB-CG2 4.35Å |
| 93 | K | 98.5 | Very high | 97.2 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.9 | -41.1 | 173.4 | -73 | 176.2 | -177.2 | 175.2 | 0 | 111.7 | E65 D85 V89 F90 F91 R96 K97 V131 | E65-K93 IonicContact OE1-NZ 3.12Å; D85-K93 IonicContact OD1-NZ 2.92Å; D85-K93 PolarHBondContact OD1-NZ 3.32Å; D85-K93 VanDerWaalsContact OD2-CD 3.28Å; D85-K93 WeakPolarHBondContact OD2-CD 3.46Å; D85-K93 WeakPolarHBondContact OD2-CE 3.23Å; D85-K93 IonicContact OD2-NZ 3.22Å; D85-K93 PolarHBondContact OD2-NZ 2.96Å; V89-K93 HydrophobicContact CG1-CD 4.27Å; V89-K93 WeakPolarHBondContact O-CG 3.29Å; V89-K93 PolarHBondContact O-N 2.81Å; F90-K93 WeakPolarHBondContact O-CB 3.33Å; F90-K93 PolarHBondContact O-N 3.11Å; F90-K93 VanDerWaalsContact O-N 3.17Å; F91-K93 VanDerWaalsContact C-N 3.34Å; F91-K93 PolarHBondContact O-N 3.45Å; K93-R96 PolarHBondContact O-N 3.44Å; K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.48Å; K93-V131 HydrophobicContact CG-CG2 4.44Å |
| 94 | E | 98.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.4 | -75.5 | -68.2 | 98.5 | 0 | 0 | 112.1 | F90 F91 R96 K97 A98 I112 R270 | F90-E94 HydrophobicContact CD2-CG 4.27Å; F90-E94 HydrophobicContact CE1-CG 4.35Å; F90-E94 HydrophobicContact CE2-CG 3.7Å; F90-E94 HydrophobicContact CZ-CG 3.75Å; F90-E94 PolarHBondContact O-N 3.31Å; F91-E94 PolarHBondContact O-N 2.74Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3.33Å; E94-K97 WeakPolarHBondContact O-CB 3.24Å; E94-K97 PolarHBondContact O-N 3.49Å; E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 3.14Å; E94-I112 HydrophobicContact CB-CD1 3.77Å; E94-R270 HydrophobicContact CG-CG 4.44Å; E94-R270 IonicContact OE2-NH1 3.23Å; E94-R270 PolarHBondContact OE2-NH1 2.98Å; E94-R270 VanDerWaalsContact OE2-NH1 3.16Å |
| 95 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 172.6 | -72.2 | 167.9 | 0 | 0 | 0 | 111.2 | F91 A98 M99 L109 I112 L113 Y124 Y128 L136 | F91-L95 WeakPolarHBondContact O-CB 3.35Å; F91-L95 VanDerWaalsContact O-CG 3.29Å; F91-L95 WeakPolarHBondContact O-CG 3.23Å; F91-L95 PolarHBondContact O-N 3.46Å; L95-A98 PolarHBondContact O-N 3.12Å; L95-M99 HydrophobicContact CB-CE 4.45Å; L95-M99 VanDerWaalsContact O-CE 3.29Å; L95-M99 WeakPolarHBondContact O-CE 3.32Å; L95-M99 PolarHBondContact O-N 3.04Å; L95-L109 HydrophobicContact CD2-CD2 3.65Å; L95-I112 HydrophobicContact CD1-CG2 4.17Å; L95-I112 HydrophobicContact CD2-CB 4.08Å; L95-I112 HydrophobicContact CD2-CD1 3.97Å; L95-I112 HydrophobicContact CD2-CG2 3.99Å; L95-I112 HydrophobicContact CG-CD1 3.95Å; L95-I112 HydrophobicContact CG-CG2 4.11Å; L95-L113 HydrophobicContact CD1-CD2 4.22Å; L95-L113 HydrophobicContact CD2-CD1 4.4Å; L95-L113 HydrophobicContact CD2-CD2 4.07Å; L95-L113 HydrophobicContact CD2-CG 4.06Å; L95-Y124 HydrophobicContact CD1-CD2 4.35Å; L95-Y128 HydrophobicContact CB-CD2 4.36Å; L95-Y128 HydrophobicContact CB-CE2 4.09Å; L95-L136 HydrophobicContact CB-CD1 4.24Å; L95-L136 HydrophobicContact CD1-CD1 4.02Å; L95-L136 HydrophobicContact CD1-CD2 3.87Å |
| 96 | R | 98.4 | Very high | 97.1 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.1 | -179.1 | 63.9 | -172.2 | 128.4 | -6.4 | 111.2 | A92 K93 E94 A98 M99 K100 Y128 N132 | A92-R96 WeakPolarHBondContact O-CB 3.24Å; A92-R96 PolarHBondContact O-N 3.37Å; K93-R96 PolarHBondContact O-N 3.44Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 3.33Å; R96-A98 VanDerWaalsContact C-N 3.28Å; R96-A98 PolarHBondContact O-N 2.86Å; R96-M99 PolarHBondContact O-N 3.29Å; R96-K100 WeakPolarHBondContact O-CB 3.48Å; R96-K100 PolarHBondContact O-N 2.89Å; R96-Y128 HydrophobicContact CB-CE2 3.75Å; R96-Y128 WeakPolarHBondContact CD-OH 3.46Å; R96-N132 WeakPolarHBondContact CG-OD1 3.48Å |
| 97 | K | 98 | Very high | 97.1 | Very high | 101 Ų | 101 | 50.2 Ų | 50.2 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 177.8 | -177.2 | -174.3 | 170.5 | -168.8 | 0 | 110.5 | K93 E94 M99 K100 D266 | K93-K97 WeakPolarHBondContact O-CB 3.27Å; K93-K97 PolarHBondContact O-N 3.48Å; E94-K97 WeakPolarHBondContact O-CB 3.24Å; E94-K97 PolarHBondContact O-N 3.49Å; K97-M99 VanDerWaalsContact C-N 3.32Å; K97-M99 PolarHBondContact O-N 2.93Å; K97-K100 PolarHBondContact O-N 3.09Å; K97-D266 IonicContact NZ-OD1 3.85Å; K97-D266 PolarHBondContact NZ-OD1 2.85Å; K97-D266 IonicContact NZ-OD2 3.97Å; K97-D266 PolarHBondContact NZ-OD2 3.13Å |
| 98 | A | 98.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 7% | 0.066 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | E94 L95 R96 T104 D105 V108 L109 | E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 3.14Å; L95-A98 PolarHBondContact O-N 3.12Å; R96-A98 VanDerWaalsContact C-N 3.28Å; R96-A98 PolarHBondContact O-N 2.86Å; A98-T104 CarbonylContact O-C 3.54Å; A98-T104 WeakPolarHBondContact O-CA 3.43Å; A98-D105 HydrophobicContact CB-CB 4.09Å; A98-D105 PolarHBondContact O-N 3.37Å; A98-V108 HydrophobicContact CB-CB 3.91Å; A98-V108 HydrophobicContact CB-CG1 3.89Å; A98-L109 HydrophobicContact CB-CD2 3.87Å; A98-L109 HydrophobicContact CB-CG 4.31Å |
| 99 | M | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -100 | -8.9 | -179.2 | -64.2 | -178.4 | -74.3 | 0 | 0 | 113.7 | L95 R96 K97 G101 T104 L109 Y128 L136 D139 I140 D143 | L95-M99 HydrophobicContact CB-CE 4.45Å; L95-M99 VanDerWaalsContact O-CE 3.29Å; L95-M99 WeakPolarHBondContact O-CE 3.32Å; L95-M99 PolarHBondContact O-N 3.04Å; R96-M99 PolarHBondContact O-N 3.29Å; K97-M99 VanDerWaalsContact C-N 3.32Å; K97-M99 PolarHBondContact O-N 2.93Å; M99-G101 PolarHBondContact O-N 2.91Å; M99-T104 HydrophobicContact CG-CG2 4.19Å; M99-L109 HydrophobicContact CG-CD1 4.17Å; M99-L109 HydrophobicContact CG-CD2 4.07Å; M99-L109 HydrophobicContact SD-CD1 4.49Å; M99-L109 HydrophobicContact SD-CD2 4.38Å; M99-Y128 HydrophobicContact CE-CE2 4.12Å; M99-Y128 WeakPolarHBondContact CE-OH 3.38Å; M99-L136 HydrophobicContact CE-CD1 3.83Å; M99-D139 HydrophobicContact CE-CB 3.88Å; M99-D139 HydrophobicContact SD-CB 3.93Å; M99-I140 HydrophobicContact CE-CD1 4.11Å; M99-I140 HydrophobicContact CE-CG1 4.32Å; M99-I140 HydrophobicContact SD-CD1 3.54Å; M99-I140 VanDerWaalsContact SD-CD1 3.54Å; M99-I140 HydrophobicContact SD-CG1 3.95Å; M99-D143 HydrophobicContact CB-CB 4.16Å; M99-D143 HydrophobicContact CG-CB 3.99Å; M99-D143 HydrophobicContact SD-CB 4.16Å |
| 100 | K | 95.5 | Very high | 97.2 | Very high | 149 Ų | 149 | 43.2 Ų | 43.2 | 65% | 0.648 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -87.6 | 108.1 | -174.8 | -176.1 | -177.4 | 178 | -175.7 | 0 | 110.7 | R96 K97 | R96-K100 WeakPolarHBondContact O-CB 3.48Å; R96-K100 PolarHBondContact O-N 2.89Å; K97-K100 PolarHBondContact O-N 3.09Å |
| 101 | G | 93 | Very high | 97.2 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 136.2 | -151.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | M99 | M99-G101 PolarHBondContact O-N 2.91Š|
| 102 | A | 89.8 | Confident | 97.2 | Very high | 114 Ų | 114 | 41.9 Ų | 41.9 | 94% | 0.942 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -89.3 | 119.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 103 | G | 93.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 42 Ų | 42 | 59% | 0.588 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 85.7 | 173.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 104 | T | 96.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | trans | -130.7 | 130.8 | -175.9 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | A98 M99 E106 L109 D143 | A98-T104 CarbonylContact O-C 3.54Å; A98-T104 WeakPolarHBondContact O-CA 3.43Å; M99-T104 HydrophobicContact CG-CG2 4.19Å; T104-E106 VanDerWaalsContact C-N 3.27Å; T104-E106 HydrophobicContact CG2-CG 3.92Å; T104-E106 PolarHBondContact O-N 2.98Å; T104-L109 HydrophobicContact CG2-CD1 3.62Å; T104-L109 HydrophobicContact CG2-CG 4.44Å; T104-D143 HydrophobicContact CG2-CB 4.4Å; T104-D143 PolarHBondContact OG1-O 3.12Å | ||
| 105 | D | 97.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 38.8 Ų | 38.8 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | trans | -80.4 | 80.3 | 167.5 | -167.3 | -23.7 | 0 | 0 | 0 | 109.5 | A98 A107 V108 L109 | A98-D105 HydrophobicContact CB-CB 4.09Å; A98-D105 PolarHBondContact O-N 3.37Å; D105-A107 PolarHBondContact O-N 3.37Å; D105-A107 WeakPolarHBondContact OD1-CB 3.19Å; D105-A107 PolarHBondContact OD1-N 3.39Å; D105-V108 HydrophobicContact CB-CB 4.48Å; D105-V108 HydrophobicContact CB-CG2 4.33Å; D105-V108 PolarHBondContact O-N 3.42Å; D105-V108 PolarHBondContact OD1-N 3.01Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.34Å; D105-L109 PolarHBondContact O-N 2.98Å | ||
| 106 | E | 97.1 | Very high | 97.1 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 24% | 0.243 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.5 | -23.9 | -178.5 | -64.7 | -173.8 | 152.3 | 0 | 0 | 112.3 | T104 V108 L109 V110 T231 | T104-E106 VanDerWaalsContact C-N 3.27Å; T104-E106 HydrophobicContact CG2-CG 3.92Å; T104-E106 PolarHBondContact O-N 2.98Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.2Å; E106-L109 PolarHBondContact O-N 3.34Å; E106-V110 VanDerWaalsContact O-CG2 3.24Å; E106-V110 WeakPolarHBondContact O-CG2 3.5Å; E106-V110 PolarHBondContact O-N 3.2Å; E106-T231 HydrophobicContact CB-CG2 3.64Å; E106-T231 HydrophobicContact CG-CG2 4.33Å; E106-T231 WeakPolarHBondContact OE2-CB 3.31Å; E106-T231 WeakPolarHBondContact OE2-CG2 3.31Å; E106-T231 PolarHBondContact OE2-OG1 3.28Å |
| 107 | A | 97.7 | Very high | 97.1 | Very high | 48 Ų | 48 | 40 Ų | 40 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D105 E111 | D105-A107 PolarHBondContact O-N 3.37Å; D105-A107 WeakPolarHBondContact OD1-CB 3.19Å; D105-A107 PolarHBondContact OD1-N 3.39Å; A107-E111 WeakPolarHBondContact O-CB 3.15Å; A107-E111 PolarHBondContact O-N 3.07Å |
| 108 | V | 98.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | 173.3 | 174.4 | 0 | 0 | 0 | 0 | 111 | A98 D105 E106 V110 E111 I112 | A98-V108 HydrophobicContact CB-CB 3.91Å; A98-V108 HydrophobicContact CB-CG1 3.89Å; D105-V108 HydrophobicContact CB-CB 4.48Å; D105-V108 HydrophobicContact CB-CG2 4.33Å; D105-V108 PolarHBondContact O-N 3.42Å; D105-V108 PolarHBondContact OD1-N 3.01Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.34Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.2Å; V108-V110 VanDerWaalsContact C-N 3.33Å; V108-V110 PolarHBondContact O-N 3.35Å; V108-E111 PolarHBondContact O-N 2.88Å; V108-I112 HydrophobicContact CG1-CD1 3.64Å; V108-I112 HydrophobicContact CG1-CG1 4.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.45Å; V108-I112 PolarHBondContact O-N 3.13Å |
| 109 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.2 | -59.6 | -174.2 | 0 | 0 | 0 | 111.6 | L95 A98 M99 T104 D105 E106 L113 I140 T144 L152 | L95-L109 HydrophobicContact CD2-CD2 3.65Å; A98-L109 HydrophobicContact CB-CD2 3.87Å; A98-L109 HydrophobicContact CB-CG 4.31Å; M99-L109 HydrophobicContact CG-CD1 4.17Å; M99-L109 HydrophobicContact CG-CD2 4.07Å; M99-L109 HydrophobicContact SD-CD1 4.49Å; M99-L109 HydrophobicContact SD-CD2 4.38Å; T104-L109 HydrophobicContact CG2-CD1 3.62Å; T104-L109 HydrophobicContact CG2-CG 4.44Å; D105-L109 PolarHBondContact O-N 2.98Å; E106-L109 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.1Å; L109-I140 HydrophobicContact CD1-CD1 3.77Å; L109-I140 HydrophobicContact CD2-CD1 3.94Å; L109-I140 HydrophobicContact CG-CD1 4.38Å; L109-T144 HydrophobicContact CD1-CG2 3.89Å; L109-L152 HydrophobicContact CB-CD1 4.28Å; L109-L152 HydrophobicContact CD1-CD1 4.3Å |
| 110 | V | 98.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | E106 V108 I112 C114 T231 D234 C235 T238 | E106-V110 VanDerWaalsContact O-CG2 3.24Å; E106-V110 WeakPolarHBondContact O-CG2 3.5Å; E106-V110 PolarHBondContact O-N 3.2Å; V108-V110 VanDerWaalsContact C-N 3.33Å; V108-V110 PolarHBondContact O-N 3.35Å; V110-I112 VanDerWaalsContact C-N 3.34Å; V110-I112 PolarHBondContact O-N 2.86Å; V110-C114 WeakPolarHBondContact O-CB 3.45Å; V110-C114 PolarHBondContact O-N 3.5Å; V110-T231 HydrophobicContact CG2-CG2 3.77Å; V110-D234 HydrophobicContact CG1-CB 4.37Å; V110-C235 VanDerWaalsContact CG2-SG 3.56Å; V110-T238 HydrophobicContact CG1-CG2 4.4Å; V110-T238 WeakPolarHBondContact CG1-OG1 3.36Å |
| 111 | E | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | -178.8 | -172 | -173.2 | 107.7 | 0 | 0 | 111.9 | A107 V108 T115 R253 R270 | A107-E111 WeakPolarHBondContact O-CB 3.15Å; A107-E111 PolarHBondContact O-N 3.07Å; V108-E111 PolarHBondContact O-N 2.88Å; E111-T115 WeakPolarHBondContact O-CB 3.43Å; E111-T115 WeakPolarHBondContact O-CG2 3.4Å; E111-T115 PolarHBondContact O-OG1 3.23Å; E111-R253 IonicContact OE2-CZ 3.96Å; E111-R253 IonicContact OE2-NE 3.15Å; E111-R253 PolarHBondContact OE2-NE 2.81Å; E111-R253 IonicContact OE2-NH2 2.75Å; E111-R253 PolarHBondContact OE2-NH2 3.06Å; E111-R270 VanDerWaalsContact CD-NH2 3.29Å; E111-R270 IonicContact OE1-CZ 3.01Å; E111-R270 VanDerWaalsContact OE1-CZ 3.3Å; E111-R270 IonicContact OE1-NE 2.87Å; E111-R270 PolarHBondContact OE1-NE 3.43Å; E111-R270 IonicContact OE1-NH2 2.71Å; E111-R270 PolarHBondContact OE1-NH2 3.13Å; E111-R270 IonicContact OE2-CZ 3.3Å; E111-R270 IonicContact OE2-NE 3.08Å; E111-R270 IonicContact OE2-NH2 2.73Å; E111-R270 PolarHBondContact OE2-NH2 3.37Å |
| 112 | I | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.7 | -55.6 | -177.7 | -62.1 | 172.2 | 0 | 0 | 0 | 110.6 | F91 E94 L95 V108 V110 T115 A116 Y124 | F91-I112 HydrophobicContact CB-CG2 4.44Å; F91-I112 HydrophobicContact CD1-CD1 4.03Å; F91-I112 HydrophobicContact CD1-CG1 3.96Å; F91-I112 HydrophobicContact CD1-CG2 4.15Å; F91-I112 HydrophobicContact CE1-CG1 4.38Å; E94-I112 HydrophobicContact CB-CD1 3.77Å; L95-I112 HydrophobicContact CD1-CG2 4.17Å; L95-I112 HydrophobicContact CD2-CB 4.08Å; L95-I112 HydrophobicContact CD2-CD1 3.97Å; L95-I112 HydrophobicContact CD2-CG2 3.99Å; L95-I112 HydrophobicContact CG-CD1 3.95Å; L95-I112 HydrophobicContact CG-CG2 4.11Å; V108-I112 HydrophobicContact CG1-CD1 3.64Å; V108-I112 HydrophobicContact CG1-CG1 4.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.45Å; V108-I112 PolarHBondContact O-N 3.13Å; V110-I112 VanDerWaalsContact C-N 3.34Å; V110-I112 PolarHBondContact O-N 2.86Å; I112-T115 PolarHBondContact O-N 3.37Å; I112-T115 PolarHBondContact O-OG1 2.95Å; I112-A116 WeakPolarHBondContact O-CB 3.33Å; I112-A116 PolarHBondContact O-N 2.9Å; I112-A116 VanDerWaalsContact O-N 3.14Å; I112-Y124 HydrophobicContact CG2-CD2 4.05Å; I112-Y124 HydrophobicContact CG2-CE2 3.68Å |
| 113 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.3 | -32.2 | -168.8 | -59.6 | 179.3 | 0 | 0 | 0 | 113.2 | L95 L109 T115 I121 I140 L152 L155 L156 | L95-L113 HydrophobicContact CD1-CD2 4.22Å; L95-L113 HydrophobicContact CD2-CD1 4.4Å; L95-L113 HydrophobicContact CD2-CD2 4.07Å; L95-L113 HydrophobicContact CD2-CG 4.06Å; L109-L113 VanDerWaalsContact O-CB 3.29Å; L109-L113 WeakPolarHBondContact O-CB 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.4Å; L109-L113 PolarHBondContact O-N 3.1Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.9Å; L113-I121 HydrophobicContact CD2-CD1 3.71Å; L113-I140 HydrophobicContact CD1-CD1 3.93Å; L113-I140 HydrophobicContact CD1-CG1 4.48Å; L113-L152 HydrophobicContact CB-CD2 4.19Å; L113-L152 HydrophobicContact CD1-CB 4.35Å; L113-L152 HydrophobicContact CD1-CD2 4.05Å; L113-L155 HydrophobicContact CB-CD1 4.36Å; L113-L156 HydrophobicContact CD2-CD2 3.98Å |
| 114 | C | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.4 | 178.9 | -62.1 | 0 | 0 | 0 | 0 | 113.3 | V110 L155 T238 L239 | V110-C114 WeakPolarHBondContact O-CB 3.45Å; V110-C114 PolarHBondContact O-N 3.5Å; C114-L155 HydrophobicContact CB-CD1 4.4Å; C114-T238 HydrophobicContact CB-CG2 3.5Å; C114-T238 VanDerWaalsContact CB-CG2 3.5Å; C114-L239 HydrophobicContact CB-CD2 3.89Å; C114-L239 HydrophobicContact CB-CG 4.11Å |
| 115 | T | 98 | Very high | 98.4 | Very high | 22 Ų | 22 | 35 Ų | 35 | 14% | 0.135 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -12 | -180 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | E111 I112 L113 T238 Y249 F250 | E111-T115 WeakPolarHBondContact O-CB 3.43Å; E111-T115 WeakPolarHBondContact O-CG2 3.4Å; E111-T115 PolarHBondContact O-OG1 3.23Å; I112-T115 PolarHBondContact O-N 3.37Å; I112-T115 PolarHBondContact O-OG1 2.95Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.9Å; T115-T238 HydrophobicContact CG2-CG2 3.91Å; T115-Y249 HydrophobicContact CG2-CD1 4.07Å; T115-Y249 HydrophobicContact CG2-CE1 3.6Å; T115-F250 HydrophobicContact CG2-CE1 4.4Å; T115-F250 HydrophobicContact CG2-CZ 4.01Å |
| 116 | A | 98 | Very high | 98.4 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 12% | 0.116 | 19% | 0.19 | C | C | . | . | trans | -68.9 | 143.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I112 D120 I121 Y124 | I112-A116 WeakPolarHBondContact O-CB 3.33Å; I112-A116 PolarHBondContact O-N 2.9Å; I112-A116 VanDerWaalsContact O-N 3.14Å; A116-D120 HydrophobicContact CB-CB 3.79Å; A116-I121 HydrophobicContact CB-CD1 3.51Å; A116-I121 HydrophobicContact CB-CG1 3.79Å; A116-Y124 HydrophobicContact CB-CE2 3.99Å | ||
| 117 | T | 97.9 | Very high | 98.5 | Very high | 61 Ų | 61 | 34.9 Ų | 34.9 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | trans | -75.6 | 169.3 | 165.4 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | E119 D120 I121 E162 | T117-E119 PolarHBondContact O-N 3.23Å; T117-E119 PolarHBondContact OG1-N 2.73Å; T117-D120 WeakPolarHBondContact CB-OD2 3.43Å; T117-D120 WeakPolarHBondContact CG2-OD2 3.46Å; T117-D120 PolarHBondContact N-OD2 3.42Å; T117-D120 WeakPolarHBondContact O-CB 3.31Å; T117-D120 PolarHBondContact O-N 2.86Å; T117-D120 WeakPolarHBondContact OG1-CB 3.45Å; T117-D120 PolarHBondContact OG1-N 2.94Å; T117-D120 VanDerWaalsContact OG1-N 3.08Å; T117-D120 PolarHBondContact OG1-OD2 2.94Å; T117-I121 WeakPolarHBondContact O-CG1 3.47Å; T117-I121 PolarHBondContact O-N 3.18Å; T117-E162 VanDerWaalsContact CA-OE1 3.31Å; T117-E162 WeakPolarHBondContact CA-OE1 3.21Å; T117-E162 VanDerWaalsContact CB-OE1 3.26Å; T117-E162 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 118 | N | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -35.5 | 172.7 | -67.6 | -33.8 | 0 | 0 | 0 | 112.1 | R122 A158 S159 R160 E162 | N118-R122 VanDerWaalsContact O-CG 3.32Å; N118-R122 WeakPolarHBondContact O-CG 3.47Å; N118-R122 PolarHBondContact O-N 3.37Å; N118-A158 HydrophobicContact CB-CB 4.07Å; N118-A158 VanDerWaalsContact CG-C 3.47Å; N118-A158 VanDerWaalsContact OD1-CA 3.29Å; N118-A158 WeakPolarHBondContact OD1-CA 3.42Å; N118-A158 PolarHBondContact OD1-O 3.1Å; N118-S159 PolarHBondContact OD1-N 3.34Å; N118-R160 PolarHBondContact ND2-O 2.68Å; N118-R160 PolarHBondContact OD1-N 2.97Å; N118-R160 VanDerWaalsContact OD1-N 3.1Å; N118-E162 PolarHBondContact N-OE1 2.63Å; N118-E162 PolarHBondContact ND2-OE2 3.44Å |
| 119 | E | 98.3 | Very high | 98.5 | Very high | 148 Ų | 148 | 35.6 Ų | 35.6 | 69% | 0.692 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -68.2 | -45.7 | 176 | -176 | 169.9 | -171.1 | 0 | 0 | 111.1 | T117 I121 R122 S123 | T117-E119 PolarHBondContact O-N 3.23Å; T117-E119 PolarHBondContact OG1-N 2.73Å; E119-I121 PolarHBondContact O-N 2.89Å; E119-R122 PolarHBondContact O-N 3.37Å; E119-S123 WeakPolarHBondContact O-CB 2.95Å; E119-S123 PolarHBondContact O-N 3.12Å |
| 120 | D | 98.4 | Very high | 98.5 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 22% | 0.219 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.2 | -53.3 | 174.2 | -69.9 | -45.7 | 0 | 0 | 0 | 110.9 | A116 T117 R122 S123 Y124 | A116-D120 HydrophobicContact CB-CB 3.79Å; T117-D120 WeakPolarHBondContact CB-OD2 3.43Å; T117-D120 WeakPolarHBondContact CG2-OD2 3.46Å; T117-D120 PolarHBondContact N-OD2 3.42Å; T117-D120 WeakPolarHBondContact O-CB 3.31Å; T117-D120 PolarHBondContact O-N 2.86Å; T117-D120 WeakPolarHBondContact OG1-CB 3.45Å; T117-D120 PolarHBondContact OG1-N 2.94Å; T117-D120 VanDerWaalsContact OG1-N 3.08Å; T117-D120 PolarHBondContact OG1-OD2 2.94Å; D120-R122 VanDerWaalsContact C-N 3.32Å; D120-R122 PolarHBondContact O-N 2.84Å; D120-S123 CarbonylContact O-C 3.59Å; D120-S123 PolarHBondContact O-N 2.92Å; D120-S123 VanDerWaalsContact O-N 3.09Å; D120-S123 PolarHBondContact O-OG 3.47Å; D120-Y124 HydrophobicContact CB-CE1 4.12Å; D120-Y124 HydrophobicContact CB-CE2 3.95Å; D120-Y124 WeakPolarHBondContact O-CD1 3.44Å; D120-Y124 PolarHBondContact O-N 2.76Å |
| 121 | I | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.2 | -45 | -179.6 | -68 | -59.9 | 0 | 0 | 0 | 111.8 | L113 A116 T117 E119 Y124 K125 L156 A158 | L113-I121 HydrophobicContact CD2-CD1 3.71Å; A116-I121 HydrophobicContact CB-CD1 3.51Å; A116-I121 HydrophobicContact CB-CG1 3.79Å; T117-I121 WeakPolarHBondContact O-CG1 3.47Å; T117-I121 PolarHBondContact O-N 3.18Å; E119-I121 PolarHBondContact O-N 2.89Å; I121-Y124 PolarHBondContact O-N 3.4Å; I121-K125 HydrophobicContact CG2-CD 4.21Å; I121-K125 WeakPolarHBondContact O-CG 3.22Å; I121-K125 PolarHBondContact O-N 2.97Å; I121-L156 HydrophobicContact CD1-CD2 4.37Å; I121-L156 HydrophobicContact CG2-CD2 4.09Å; I121-A158 HydrophobicContact CB-CB 4.08Å; I121-A158 HydrophobicContact CG2-CB 3.86Å |
| 122 | R | 98.8 | Very high | 98.2 | Very high | 128 Ų | 128 | 46.8 Ų | 46.8 | 48% | 0.483 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 177.6 | -69.6 | 176.8 | -157.7 | 116.1 | 3 | 111 | N118 E119 D120 Y124 K125 E126 A158 | N118-R122 VanDerWaalsContact O-CG 3.32Å; N118-R122 WeakPolarHBondContact O-CG 3.47Å; N118-R122 PolarHBondContact O-N 3.37Å; E119-R122 PolarHBondContact O-N 3.37Å; D120-R122 VanDerWaalsContact C-N 3.32Å; D120-R122 PolarHBondContact O-N 2.84Å; R122-Y124 VanDerWaalsContact C-N 3.32Å; R122-Y124 PolarHBondContact O-N 3.41Å; R122-K125 PolarHBondContact O-N 3.45Å; R122-E126 WeakPolarHBondContact O-CG 3.32Å; R122-E126 PolarHBondContact O-N 3.49Å; R122-A158 HydrophobicContact CG-CB 4Å; R122-A158 PolarHBondContact NH2-O 3.05Å |
| 123 | S | 98.7 | Very high | 98.1 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 179 | 79.1 | 0 | 0 | 0 | 0 | 112.5 | Q88 E119 D120 E126 A127 | Q88-S123 WeakPolarHBondContact CB-OG 3.3Å; E119-S123 WeakPolarHBondContact O-CB 2.95Å; E119-S123 PolarHBondContact O-N 3.12Å; D120-S123 CarbonylContact O-C 3.59Å; D120-S123 PolarHBondContact O-N 2.92Å; D120-S123 VanDerWaalsContact O-N 3.09Å; D120-S123 PolarHBondContact O-OG 3.47Å; S123-E126 PolarHBondContact O-N 3.4Å; S123-A127 VanDerWaalsContact O-CB 3.27Å; S123-A127 WeakPolarHBondContact O-CB 3.48Å; S123-A127 PolarHBondContact O-N 3.29Å |
| 124 | Y | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 177.1 | -61.3 | -9.4 | 0 | 0 | 0 | 110.5 | Q88 F91 L95 I112 A116 D120 I121 R122 E126 A127 Y128 | Q88-Y124 HydrophobicContact CB-CD1 4.09Å; Q88-Y124 HydrophobicContact CB-CE1 4.41Å; F91-Y124 HydrophobicContact CB-CD1 3.95Å; F91-Y124 HydrophobicContact CB-CD2 4.34Å; F91-Y124 HydrophobicContact CB-CE1 3.68Å; F91-Y124 HydrophobicContact CB-CE2 4.06Å; F91-Y124 HydrophobicContact CB-CG 4.3Å; F91-Y124 AromaticContact CD2-CE1 3.7Å; F91-Y124 HydrophobicContact CD2-CE1 3.7Å; F91-Y124 AromaticContact CD2-CZ 3.6Å; F91-Y124 VanDerWaalsContact CD2-OH 3.28Å; F91-Y124 WeakPolarHBondContact CD2-OH 3.45Å; F91-Y124 HydrophobicContact CG-CE1 4Å; F91-Y124 HydrophobicContact CG-CE2 4.31Å; F91-Y124 AromaticContact CG-CZ 3.76Å; L95-Y124 HydrophobicContact CD1-CD2 4.35Å; I112-Y124 HydrophobicContact CG2-CD2 4.05Å; I112-Y124 HydrophobicContact CG2-CE2 3.68Å; A116-Y124 HydrophobicContact CB-CE2 3.99Å; D120-Y124 HydrophobicContact CB-CE1 4.12Å; D120-Y124 HydrophobicContact CB-CE2 3.95Å; D120-Y124 WeakPolarHBondContact O-CD1 3.44Å; D120-Y124 PolarHBondContact O-N 2.76Å; I121-Y124 PolarHBondContact O-N 3.4Å; R122-Y124 VanDerWaalsContact C-N 3.32Å; R122-Y124 PolarHBondContact O-N 3.41Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.29Å; Y124-A127 PolarHBondContact O-N 2.95Å; Y124-Y128 WeakPolarHBondContact O-CB 3.01Å; Y124-Y128 PolarHBondContact O-N 2.92Å |
| 125 | K | 98.8 | Very high | 98.1 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 175.4 | -72.4 | 177 | 70.8 | 155.8 | 0 | 111.2 | I121 R122 Y128 V129 L136 E137 L156 | I121-K125 HydrophobicContact CG2-CD 4.21Å; I121-K125 WeakPolarHBondContact O-CG 3.22Å; I121-K125 PolarHBondContact O-N 2.97Å; R122-K125 PolarHBondContact O-N 3.45Å; K125-Y128 PolarHBondContact O-N 2.66Å; K125-V129 WeakPolarHBondContact O-CG2 3.32Å; K125-V129 PolarHBondContact O-N 3.04Å; K125-L136 HydrophobicContact CG-CB 4.35Å; K125-L136 HydrophobicContact CG-CD2 3.94Å; K125-E137 IonicContact NZ-OE2 3.86Å; K125-E137 PolarHBondContact NZ-OE2 3.05Å; K125-L156 HydrophobicContact CD-CD2 4.47Å; K125-L156 HydrophobicContact CG-CD2 4.48Å; K125-L156 PolarHBondContact NZ-O 3.08Å |
| 126 | E | 98.7 | Very high | 98.1 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -49.9 | 177.6 | -71.4 | 177.8 | -174.2 | 0 | 0 | 112.3 | R122 S123 Y124 Y128 V129 Q130 | R122-E126 WeakPolarHBondContact O-CG 3.32Å; R122-E126 PolarHBondContact O-N 3.49Å; S123-E126 PolarHBondContact O-N 3.4Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.29Å; E126-Y128 VanDerWaalsContact C-N 3.31Å; E126-Y128 PolarHBondContact O-N 2.93Å; E126-V129 PolarHBondContact O-N 3.36Å; E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 2.68Å; E126-Q130 VanDerWaalsContact O-N 3.15Å |
| 127 | A | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q88 V89 A92 S123 Y124 V129 Q130 V131 | Q88-A127 HydrophobicContact CB-CB 4.2Å; Q88-A127 HydrophobicContact CG-CB 3.94Å; Q88-A127 WeakPolarHBondContact O-CB 3.33Å; V89-A127 HydrophobicContact CG2-CB 4.23Å; A92-A127 HydrophobicContact CB-CB 3.88Å; S123-A127 VanDerWaalsContact O-CB 3.27Å; S123-A127 WeakPolarHBondContact O-CB 3.48Å; S123-A127 PolarHBondContact O-N 3.29Å; Y124-A127 PolarHBondContact O-N 2.95Å; A127-V129 PolarHBondContact O-N 3.33Å; A127-Q130 PolarHBondContact O-N 2.87Å; A127-Q130 VanDerWaalsContact O-N 3.15Å; A127-V131 VanDerWaalsContact O-CG2 3.3Å; A127-V131 WeakPolarHBondContact O-CG2 3.39Å; A127-V131 PolarHBondContact O-N 3.01Å |
| 128 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 178.9 | -162.9 | -86.3 | 0 | 0 | 0 | 111.9 | A92 L95 R96 M99 Y124 K125 E126 N132 R134 L136 D139 | A92-Y128 HydrophobicContact CB-CD2 4.2Å; A92-Y128 WeakPolarHBondContact O-CD2 3.46Å; L95-Y128 HydrophobicContact CB-CD2 4.36Å; L95-Y128 HydrophobicContact CB-CE2 4.09Å; R96-Y128 HydrophobicContact CB-CE2 3.75Å; R96-Y128 WeakPolarHBondContact CD-OH 3.46Å; M99-Y128 HydrophobicContact CE-CE2 4.12Å; M99-Y128 WeakPolarHBondContact CE-OH 3.38Å; Y124-Y128 WeakPolarHBondContact O-CB 3.01Å; Y124-Y128 PolarHBondContact O-N 2.92Å; K125-Y128 PolarHBondContact O-N 2.66Å; E126-Y128 VanDerWaalsContact C-N 3.31Å; E126-Y128 PolarHBondContact O-N 2.93Å; Y128-N132 HydrophobicContact CD1-CB 4.37Å; Y128-N132 VanDerWaalsContact CD2-ND2 3.32Å; Y128-N132 WeakPolarHBondContact CD2-ND2 3.14Å; Y128-N132 HydrophobicContact CE1-CB 4.32Å; Y128-N132 VanDerWaalsContact O-CB 3.23Å; Y128-N132 WeakPolarHBondContact O-CB 3.11Å; Y128-N132 PolarHBondContact O-N 3.14Å; Y128-N132 PolarHBondContact O-ND2 3.26Å; Y128-R134 HydrophobicContact CD1-CB 4.3Å; Y128-R134 WeakPolarHBondContact CD1-O 3.38Å; Y128-R134 HydrophobicContact CE1-CB 3.78Å; Y128-L136 HydrophobicContact CD1-CB 3.83Å; Y128-L136 HydrophobicContact CD2-CB 4.33Å; Y128-L136 HydrophobicContact CD2-CD1 3.84Å; Y128-L136 HydrophobicContact CE1-CB 4.31Å; Y128-L136 HydrophobicContact CE2-CD1 3.79Å; Y128-L136 HydrophobicContact CG-CB 3.84Å; Y128-L136 HydrophobicContact CG-CD1 4.23Å; Y128-L136 HydrophobicContact CG-CG 4.5Å; Y128-D139 HydrophobicContact CE1-CB 4.49Å; Y128-D139 WeakPolarHBondContact CE1-OD2 3.5Å; Y128-D139 PolarHBondContact OH-OD2 2.75Å |
| 129 | V | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 173.5 | 175 | 0 | 0 | 0 | 0 | 110.8 | K125 E126 A127 E133 R134 | K125-V129 WeakPolarHBondContact O-CG2 3.32Å; K125-V129 PolarHBondContact O-N 3.04Å; E126-V129 PolarHBondContact O-N 3.36Å; A127-V129 PolarHBondContact O-N 3.33Å; V129-E133 VanDerWaalsContact O-CA 3.28Å; V129-E133 WeakPolarHBondContact O-CA 3.33Å; V129-E133 PolarHBondContact O-N 2.89Å; V129-R134 VanDerWaalsContact CA-O 3.29Å; V129-R134 WeakPolarHBondContact CA-O 3.41Å; V129-R134 WeakPolarHBondContact CG2-O 3.22Å |
| 130 | Q | 97.4 | Very high | 98.2 | Very high | 144 Ų | 144 | 56.5 Ų | 56.5 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | -177.2 | -70.3 | 174.3 | 13.6 | 0 | 0 | 113.1 | E126 A127 | E126-Q130 WeakPolarHBondContact O-CG 3.48Å; E126-Q130 PolarHBondContact O-N 2.68Å; E126-Q130 VanDerWaalsContact O-N 3.15Å; A127-Q130 PolarHBondContact O-N 2.87Å; A127-Q130 VanDerWaalsContact O-N 3.15Å |
| 131 | V | 96.9 | Very high | 98.1 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -96.5 | -20.9 | -171.7 | -53.1 | 0 | 0 | 0 | 0 | 113.9 | V89 A92 K93 A127 | V89-V131 HydrophobicContact CG1-CG1 4.01Å; V89-V131 HydrophobicContact CG2-CG1 4.28Å; A92-V131 HydrophobicContact CB-CG2 4.35Å; K93-V131 HydrophobicContact CG-CG2 4.44Å; A127-V131 VanDerWaalsContact O-CG2 3.3Å; A127-V131 WeakPolarHBondContact O-CG2 3.39Å; A127-V131 PolarHBondContact O-N 3.01Å |
| 132 | N | 95.1 | Very high | 98.1 | Very high | 40 Ų | 40 | 62.2 Ų | 62.2 | 21% | 0.214 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -113.6 | -12.3 | -178.1 | -55.7 | -59.3 | 0 | 0 | 0 | 113.9 | R96 Y128 R134 | R96-N132 WeakPolarHBondContact CG-OD1 3.48Å; Y128-N132 HydrophobicContact CD1-CB 4.37Å; Y128-N132 VanDerWaalsContact CD2-ND2 3.32Å; Y128-N132 WeakPolarHBondContact CD2-ND2 3.14Å; Y128-N132 HydrophobicContact CE1-CB 4.32Å; Y128-N132 VanDerWaalsContact O-CB 3.23Å; Y128-N132 WeakPolarHBondContact O-CB 3.11Å; Y128-N132 PolarHBondContact O-N 3.14Å; Y128-N132 PolarHBondContact O-ND2 3.26Å; N132-R134 HydrophobicContact CB-CB 4.27Å; N132-R134 WeakPolarHBondContact O-CG 3.49Å; N132-R134 PolarHBondContact O-N 3.23Å |
| 133 | E | 96.9 | Very high | 98 | Very high | 183 Ų | 183 | 58.6 Ų | 58.6 | 86% | 0.855 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 54.7 | 35.2 | -170.8 | -55.9 | -175.5 | 153 | 0 | 0 | 112.6 | V129 | V129-E133 VanDerWaalsContact O-CA 3.28Å; V129-E133 WeakPolarHBondContact O-CA 3.33Å; V129-E133 PolarHBondContact O-N 2.89Å |
| 134 | R | 97.7 | Very high | 98 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -136 | 159.2 | -176.8 | -67.3 | -178.9 | 76.3 | 77.3 | 3.1 | 110.8 | Y128 V129 N132 D139 | Y128-R134 HydrophobicContact CD1-CB 4.3Å; Y128-R134 WeakPolarHBondContact CD1-O 3.38Å; Y128-R134 HydrophobicContact CE1-CB 3.78Å; V129-R134 VanDerWaalsContact CA-O 3.29Å; V129-R134 WeakPolarHBondContact CA-O 3.41Å; V129-R134 WeakPolarHBondContact CG2-O 3.22Å; N132-R134 HydrophobicContact CB-CB 4.27Å; N132-R134 WeakPolarHBondContact O-CG 3.49Å; N132-R134 PolarHBondContact O-N 3.23Å; R134-D139 WeakPolarHBondContact CD-OD2 3.29Å; R134-D139 IonicContact CZ-OD1 2.77Å; R134-D139 IonicContact CZ-OD2 2.74Å; R134-D139 VanDerWaalsContact NE-CG 3.32Å; R134-D139 IonicContact NE-OD1 2.76Å; R134-D139 PolarHBondContact NE-OD1 2.7Å; R134-D139 IonicContact NE-OD2 3.24Å; R134-D139 PolarHBondContact NE-OD2 3Å; R134-D139 IonicContact NH2-OD1 3.98Å; R134-D139 PolarHBondContact NH2-OD1 3.02Å; R134-D139 IonicContact NH2-OD2 3.99Å |
| 135 | D | 98.3 | Very high | 97.9 | Very high | 75 Ų | 75 | 60.9 Ų | 60.9 | 40% | 0.401 | 33% | 0.329 | S | S | . | . | trans | -93 | 127.5 | 173.3 | 180 | -104.6 | 0 | 0 | 0 | 110 | E137 A138 D139 | D135-E137 VanDerWaalsContact C-N 3.33Å; D135-E137 PolarHBondContact O-N 2.92Å; D135-E137 WeakPolarHBondContact OD1-CB 3.37Å; D135-E137 PolarHBondContact OD1-N 3.36Å; D135-A138 HydrophobicContact CB-CB 4.01Å; D135-A138 WeakPolarHBondContact OD1-CB 3.41Å; D135-A138 PolarHBondContact OD1-N 3.47Å; D135-D139 PolarHBondContact O-N 2.49Å; D135-D139 VanDerWaalsContact O-N 3.1Å | ||
| 136 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | -177.4 | 175.1 | 58.7 | 0 | 0 | 0 | 111.7 | L95 M99 K125 Y128 D139 I140 L156 | L95-L136 HydrophobicContact CB-CD1 4.24Å; L95-L136 HydrophobicContact CD1-CD1 4.02Å; L95-L136 HydrophobicContact CD1-CD2 3.87Å; M99-L136 HydrophobicContact CE-CD1 3.83Å; K125-L136 HydrophobicContact CG-CB 4.35Å; K125-L136 HydrophobicContact CG-CD2 3.94Å; Y128-L136 HydrophobicContact CD1-CB 3.83Å; Y128-L136 HydrophobicContact CD2-CB 4.33Å; Y128-L136 HydrophobicContact CD2-CD1 3.84Å; Y128-L136 HydrophobicContact CE1-CB 4.31Å; Y128-L136 HydrophobicContact CE2-CD1 3.79Å; Y128-L136 HydrophobicContact CG-CB 3.84Å; Y128-L136 HydrophobicContact CG-CD1 4.23Å; Y128-L136 HydrophobicContact CG-CG 4.5Å; L136-D139 PolarHBondContact O-N 3.46Å; L136-I140 HydrophobicContact CD1-CG1 4.12Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.28Å; L136-I140 PolarHBondContact O-N 3.49Å; L136-L156 HydrophobicContact CD2-CD2 3.85Å; L136-L156 HydrophobicContact CG-CD1 4.41Å; L136-L156 HydrophobicContact CG-CD2 4.24Å |
| 137 | E | 98.5 | Very high | 97.8 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -46.2 | -178.5 | -164.3 | 166.1 | 152.1 | 0 | 0 | 110.6 | K125 D135 D139 I140 E141 I153 L156 Q157 | K125-E137 IonicContact NZ-OE2 3.86Å; K125-E137 PolarHBondContact NZ-OE2 3.05Å; D135-E137 VanDerWaalsContact C-N 3.33Å; D135-E137 PolarHBondContact O-N 2.92Å; D135-E137 WeakPolarHBondContact OD1-CB 3.37Å; D135-E137 PolarHBondContact OD1-N 3.36Å; E137-D139 VanDerWaalsContact C-N 3.33Å; E137-D139 PolarHBondContact O-N 3.33Å; E137-I140 PolarHBondContact O-N 3.15Å; E137-E141 WeakPolarHBondContact O-CG 3.35Å; E137-E141 PolarHBondContact O-N 3.4Å; E137-I153 HydrophobicContact CG-CD1 3.58Å; E137-L156 HydrophobicContact CB-CD1 4.11Å; E137-L156 HydrophobicContact CG-CD1 4.12Å; E137-Q157 PolarHBondContact OE1-NE2 3.41Å |
| 138 | A | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D135 G142 | D135-A138 HydrophobicContact CB-CB 4.01Å; D135-A138 WeakPolarHBondContact OD1-CB 3.41Å; D135-A138 PolarHBondContact OD1-N 3.47Å; A138-G142 PolarHBondContact O-N 2.96Å; A138-G142 VanDerWaalsContact O-N 3.1Å |
| 139 | D | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 174.7 | -81 | 1.2 | 0 | 0 | 0 | 110.7 | M99 Y128 R134 D135 L136 E137 E141 G142 D143 | M99-D139 HydrophobicContact CE-CB 3.88Å; M99-D139 HydrophobicContact SD-CB 3.93Å; Y128-D139 HydrophobicContact CE1-CB 4.49Å; Y128-D139 WeakPolarHBondContact CE1-OD2 3.5Å; Y128-D139 PolarHBondContact OH-OD2 2.75Å; R134-D139 WeakPolarHBondContact CD-OD2 3.29Å; R134-D139 IonicContact CZ-OD1 2.77Å; R134-D139 IonicContact CZ-OD2 2.74Å; R134-D139 VanDerWaalsContact NE-CG 3.32Å; R134-D139 IonicContact NE-OD1 2.76Å; R134-D139 PolarHBondContact NE-OD1 2.7Å; R134-D139 IonicContact NE-OD2 3.24Å; R134-D139 PolarHBondContact NE-OD2 3Å; R134-D139 IonicContact NH2-OD1 3.98Å; R134-D139 PolarHBondContact NH2-OD1 3.02Å; R134-D139 IonicContact NH2-OD2 3.99Å; D135-D139 PolarHBondContact O-N 2.49Å; D135-D139 VanDerWaalsContact O-N 3.1Å; L136-D139 PolarHBondContact O-N 3.46Å; E137-D139 VanDerWaalsContact C-N 3.33Å; E137-D139 PolarHBondContact O-N 3.33Å; D139-E141 VanDerWaalsContact C-N 3.33Å; D139-E141 PolarHBondContact O-N 2.94Å; D139-G142 PolarHBondContact O-N 3.12Å; D139-G142 VanDerWaalsContact O-N 3.13Å; D139-D143 WeakPolarHBondContact O-CB 3.43Å; D139-D143 PolarHBondContact O-N 2.61Å |
| 140 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 175.7 | -69.1 | -74 | 0 | 0 | 0 | 111.5 | M99 L109 L113 L136 E137 G142 T144 L152 I153 L156 | M99-I140 HydrophobicContact CE-CD1 4.11Å; M99-I140 HydrophobicContact CE-CG1 4.32Å; M99-I140 HydrophobicContact SD-CD1 3.54Å; M99-I140 VanDerWaalsContact SD-CD1 3.54Å; M99-I140 HydrophobicContact SD-CG1 3.95Å; L109-I140 HydrophobicContact CD1-CD1 3.77Å; L109-I140 HydrophobicContact CD2-CD1 3.94Å; L109-I140 HydrophobicContact CG-CD1 4.38Å; L113-I140 HydrophobicContact CD1-CD1 3.93Å; L113-I140 HydrophobicContact CD1-CG1 4.48Å; L136-I140 HydrophobicContact CD1-CG1 4.12Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.28Å; L136-I140 PolarHBondContact O-N 3.49Å; E137-I140 PolarHBondContact O-N 3.15Å; I140-G142 VanDerWaalsContact C-N 3.27Å; I140-G142 PolarHBondContact O-N 3.17Å; I140-T144 WeakPolarHBondContact O-CB 3.3Å; I140-T144 PolarHBondContact O-N 2.9Å; I140-T144 VanDerWaalsContact O-N 3.09Å; I140-T144 PolarHBondContact O-OG1 3Å; I140-L152 HydrophobicContact CD1-CD1 4.43Å; I140-L152 HydrophobicContact CG2-CB 3.83Å; I140-L152 HydrophobicContact CG2-CD1 4.28Å; I140-I153 HydrophobicContact CB-CD1 4.4Å; I140-I153 HydrophobicContact CG2-CD1 3.95Å; I140-I153 HydrophobicContact CG2-CG1 4.41Å; I140-L156 HydrophobicContact CB-CD1 4.21Å; I140-L156 HydrophobicContact CG1-CD1 4.06Å; I140-L156 HydrophobicContact CG2-CD1 4.42Å |
| 141 | E | 98.1 | Very high | 97.8 | Very high | 101 Ų | 101 | 55 Ų | 55 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 176.4 | -72.7 | -171.3 | 152 | 0 | 0 | 113.2 | E137 D139 R149 I153 | E137-E141 WeakPolarHBondContact O-CG 3.35Å; E137-E141 PolarHBondContact O-N 3.4Å; D139-E141 VanDerWaalsContact C-N 3.33Å; D139-E141 PolarHBondContact O-N 2.94Å; E141-R149 WeakPolarHBondContact O-CD 3.41Å; E141-I153 HydrophobicContact CG-CD1 3.48Å; E141-I153 VanDerWaalsContact CG-CD1 3.48Å; E141-I153 HydrophobicContact CG-CG1 4.11Å |
| 142 | G | 97.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 67% | 0.67 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -82.4 | -33.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A138 D139 I140 | A138-G142 PolarHBondContact O-N 2.96Å; A138-G142 VanDerWaalsContact O-N 3.1Å; D139-G142 PolarHBondContact O-N 3.12Å; D139-G142 VanDerWaalsContact O-N 3.13Å; I140-G142 VanDerWaalsContact C-N 3.27Å; I140-G142 PolarHBondContact O-N 3.17Å |
| 143 | D | 97.6 | Very high | 98 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -98.7 | -5.5 | -174.3 | -78.8 | -71.4 | 0 | 0 | 0 | 113.8 | M99 T104 D139 | M99-D143 HydrophobicContact CB-CB 4.16Å; M99-D143 HydrophobicContact CG-CB 3.99Å; M99-D143 HydrophobicContact SD-CB 4.16Å; T104-D143 HydrophobicContact CG2-CB 4.4Å; T104-D143 PolarHBondContact OG1-O 3.12Å; D139-D143 WeakPolarHBondContact O-CB 3.43Å; D139-D143 PolarHBondContact O-N 2.61Å |
| 144 | T | 97.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | trans | -129.5 | 166.1 | 175 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | L109 I140 R149 L152 | L109-T144 HydrophobicContact CD1-CG2 3.89Å; I140-T144 WeakPolarHBondContact O-CB 3.3Å; I140-T144 PolarHBondContact O-N 2.9Å; I140-T144 VanDerWaalsContact O-N 3.09Å; I140-T144 PolarHBondContact O-OG1 3Å; T144-R149 WeakPolarHBondContact OG1-CA 3.33Å; T144-R149 VanDerWaalsContact OG1-CB 3.26Å; T144-R149 WeakPolarHBondContact OG1-CB 3.35Å; T144-L152 HydrophobicContact CG2-CD1 4.06Å | ||
| 145 | S | 97.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 39.3 Ų | 39.3 | 57% | 0.573 | 24% | 0.239 | S | C | * | . | trans | -145.8 | 170.3 | -177.8 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | V148 R149 | S145-V148 PolarHBondContact O-N 2.66Å; S145-R149 PolarHBondContact O-N 2.82Å | ||
| 146 | G | 97.1 | Very high | 98.2 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 38% | 0.381 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | 56.6 | -143 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V148 R149 N150 | G146-V148 VanDerWaalsContact C-N 3.31Å; G146-V148 PolarHBondContact O-N 2.73Å; G146-R149 PolarHBondContact O-N 3.43Å; G146-N150 VanDerWaalsContact O-CG 3.31Å; G146-N150 PolarHBondContact O-N 3.39Å; G146-N150 VanDerWaalsContact O-N 3.15Å; G146-N150 PolarHBondContact O-ND2 3.43Å |
| 147 | D | 97.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.6 | -24.4 | -176.3 | -58 | -56.6 | 0 | 0 | 0 | 113.4 | N150 L151 E190 L232 | D147-N150 PolarHBondContact O-N 2.95Å; D147-N150 PolarHBondContact OD1-ND2 2.92Å; D147-L151 VanDerWaalsContact O-CB 3.3Å; D147-L151 WeakPolarHBondContact O-CB 3.26Å; D147-L151 PolarHBondContact O-N 3.32Å; D147-E190 HydrophobicContact CB-CB 4.03Å; D147-E190 HydrophobicContact CB-CG 4.27Å; D147-L232 HydrophobicContact CB-CD1 3.97Å; D147-L232 HydrophobicContact CB-CD2 3.81Å; D147-L232 HydrophobicContact CB-CG 4.49Å |
| 148 | V | 98.2 | Very high | 98.1 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -51.5 | 170.2 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | S145 G146 N150 L151 L152 T231 L232 | S145-V148 PolarHBondContact O-N 2.66Å; G146-V148 VanDerWaalsContact C-N 3.31Å; G146-V148 PolarHBondContact O-N 2.73Å; V148-N150 PolarHBondContact O-N 2.92Å; V148-L151 PolarHBondContact O-N 3.36Å; V148-L152 HydrophobicContact CG1-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CG 4.44Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.4Å; V148-T231 HydrophobicContact CG1-CG2 3.68Å; V148-T231 HydrophobicContact CG2-CG2 4.03Å; V148-L232 HydrophobicContact CG2-CB 4Å |
| 149 | R | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 32% | 0.317 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 175.8 | -177.9 | -179.8 | 59.4 | -146.9 | -1.1 | 111 | E141 T144 S145 G146 L151 L152 I153 | E141-R149 WeakPolarHBondContact O-CD 3.41Å; T144-R149 WeakPolarHBondContact OG1-CA 3.33Å; T144-R149 VanDerWaalsContact OG1-CB 3.26Å; T144-R149 WeakPolarHBondContact OG1-CB 3.35Å; S145-R149 PolarHBondContact O-N 2.82Å; G146-R149 PolarHBondContact O-N 3.43Å; R149-L151 VanDerWaalsContact C-N 3.25Å; R149-L151 PolarHBondContact O-N 3.29Å; R149-L152 PolarHBondContact O-N 3.1Å; R149-I153 HydrophobicContact CG-CG1 3.97Å; R149-I153 WeakPolarHBondContact O-CB 3.19Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 3.25Å |
| 150 | N | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.5 | -41.2 | -177.4 | -63 | -21.7 | 0 | 0 | 0 | 111.7 | G146 D147 V148 S154 | G146-N150 VanDerWaalsContact O-CG 3.31Å; G146-N150 PolarHBondContact O-N 3.39Å; G146-N150 VanDerWaalsContact O-N 3.15Å; G146-N150 PolarHBondContact O-ND2 3.43Å; D147-N150 PolarHBondContact O-N 2.95Å; D147-N150 PolarHBondContact OD1-ND2 2.92Å; V148-N150 PolarHBondContact O-N 2.92Å; N150-S154 WeakPolarHBondContact O-CB 3.3Å; N150-S154 PolarHBondContact O-N 2.84Å |
| 151 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.4 | -49 | 177.3 | -174.6 | 158.8 | 0 | 0 | 0 | 112.2 | D147 V148 R149 I153 S154 L155 T194 T198 L232 C235 Y236 L239 | D147-L151 VanDerWaalsContact O-CB 3.3Å; D147-L151 WeakPolarHBondContact O-CB 3.26Å; D147-L151 PolarHBondContact O-N 3.32Å; V148-L151 PolarHBondContact O-N 3.36Å; R149-L151 VanDerWaalsContact C-N 3.25Å; R149-L151 PolarHBondContact O-N 3.29Å; L151-I153 VanDerWaalsContact C-N 3.32Å; L151-I153 PolarHBondContact O-N 3.42Å; L151-S154 WeakPolarHBondContact O-CB 3.09Å; L151-S154 PolarHBondContact O-N 3.24Å; L151-S154 VanDerWaalsContact O-N 3.12Å; L151-L155 HydrophobicContact CD2-CD1 3.56Å; L151-L155 HydrophobicContact CD2-CG 4.23Å; L151-L155 PolarHBondContact O-N 2.98Å; L151-T194 HydrophobicContact CB-CG2 3.86Å; L151-T194 HydrophobicContact CG-CG2 4.03Å; L151-T198 HydrophobicContact CG-CG2 4.17Å; L151-L232 HydrophobicContact CD1-CD1 3.95Å; L151-C235 HydrophobicContact CD1-CB 3.55Å; L151-C235 HydrophobicContact CD2-CB 3.81Å; L151-C235 HydrophobicContact CG-CB 4.34Å; L151-Y236 HydrophobicContact CD1-CD1 3.69Å; L151-Y236 HydrophobicContact CD1-CE1 3.37Å; L151-L239 HydrophobicContact CD1-CD1 4.35Å; L151-L239 HydrophobicContact CD2-CD1 4.37Å |
| 152 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 179.6 | -64 | -178.4 | 0 | 0 | 0 | 111.5 | L109 L113 I140 T144 V148 R149 S154 L155 L156 | L109-L152 HydrophobicContact CB-CD1 4.28Å; L109-L152 HydrophobicContact CD1-CD1 4.3Å; L113-L152 HydrophobicContact CB-CD2 4.19Å; L113-L152 HydrophobicContact CD1-CB 4.35Å; L113-L152 HydrophobicContact CD1-CD2 4.05Å; I140-L152 HydrophobicContact CD1-CD1 4.43Å; I140-L152 HydrophobicContact CG2-CB 3.83Å; I140-L152 HydrophobicContact CG2-CD1 4.28Å; T144-L152 HydrophobicContact CG2-CD1 4.06Å; V148-L152 HydrophobicContact CG1-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CG 4.44Å; V148-L152 WeakPolarHBondContact O-CG 3.48Å; V148-L152 PolarHBondContact O-N 3.4Å; R149-L152 PolarHBondContact O-N 3.1Å; L152-S154 VanDerWaalsContact C-N 3.33Å; L152-S154 PolarHBondContact O-N 3.36Å; L152-L155 HydrophobicContact CD2-CD1 4.32Å; L152-L155 WeakPolarHBondContact O-CB 3.13Å; L152-L155 PolarHBondContact O-N 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.16Å; L152-L156 PolarHBondContact O-N 3.46Å |
| 153 | I | 98.5 | Very high | 97.8 | Very high | 28 Ų | 28 | 41.6 Ų | 41.6 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 173.8 | -63.5 | -65.1 | 0 | 0 | 0 | 111.3 | E137 I140 E141 R149 L151 L155 L156 Q157 | E137-I153 HydrophobicContact CG-CD1 3.58Å; I140-I153 HydrophobicContact CB-CD1 4.4Å; I140-I153 HydrophobicContact CG2-CD1 3.95Å; I140-I153 HydrophobicContact CG2-CG1 4.41Å; E141-I153 HydrophobicContact CG-CD1 3.48Å; E141-I153 VanDerWaalsContact CG-CD1 3.48Å; E141-I153 HydrophobicContact CG-CG1 4.11Å; R149-I153 HydrophobicContact CG-CG1 3.97Å; R149-I153 WeakPolarHBondContact O-CB 3.19Å; R149-I153 WeakPolarHBondContact O-CG1 3.4Å; R149-I153 PolarHBondContact O-N 3.25Å; L151-I153 VanDerWaalsContact C-N 3.32Å; L151-I153 PolarHBondContact O-N 3.42Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.22Å; I153-L156 HydrophobicContact CD1-CD1 4.3Å; I153-L156 PolarHBondContact O-N 3.44Å; I153-Q157 WeakPolarHBondContact O-CG 3.48Å; I153-Q157 PolarHBondContact O-N 2.9Å; I153-Q157 PolarHBondContact O-NE2 2.8Å; I153-Q157 VanDerWaalsContact O-NE2 3.15Å |
| 154 | S | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 16% | 0.161 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 173.5 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | N150 L151 L152 Q157 T198 H199 | N150-S154 WeakPolarHBondContact O-CB 3.3Å; N150-S154 PolarHBondContact O-N 2.84Å; L151-S154 WeakPolarHBondContact O-CB 3.09Å; L151-S154 PolarHBondContact O-N 3.24Å; L151-S154 VanDerWaalsContact O-N 3.12Å; L152-S154 VanDerWaalsContact C-N 3.33Å; L152-S154 PolarHBondContact O-N 3.36Å; S154-Q157 PolarHBondContact O-N 3.43Å; S154-T198 WeakPolarHBondContact OG-CB 3.42Å; S154-T198 PolarHBondContact OG-OG1 2.73Å; S154-H199 PolarHBondContact OG-CE1 2.87Å |
| 155 | L | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 175 | -68.2 | 168.5 | 0 | 0 | 0 | 111.6 | L113 C114 L151 L152 I153 Q157 A158 T198 L239 | L113-L155 HydrophobicContact CB-CD1 4.36Å; C114-L155 HydrophobicContact CB-CD1 4.4Å; L151-L155 HydrophobicContact CD2-CD1 3.56Å; L151-L155 HydrophobicContact CD2-CG 4.23Å; L151-L155 PolarHBondContact O-N 2.98Å; L152-L155 HydrophobicContact CD2-CD1 4.32Å; L152-L155 WeakPolarHBondContact O-CB 3.13Å; L152-L155 PolarHBondContact O-N 3.31Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.22Å; L155-Q157 PolarHBondContact O-N 2.93Å; L155-Q157 VanDerWaalsContact O-N 3.1Å; L155-A158 PolarHBondContact O-N 2.89Å; L155-T198 HydrophobicContact CD2-CG2 3.8Å; L155-T198 HydrophobicContact CG-CG2 3.96Å; L155-L239 HydrophobicContact CD2-CD2 4.24Å |
| 156 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -11.5 | 178.3 | -73.5 | -177 | 0 | 0 | 0 | 114.7 | L113 I121 K125 L136 E137 I140 L152 I153 A158 | L113-L156 HydrophobicContact CD2-CD2 3.98Å; I121-L156 HydrophobicContact CD1-CD2 4.37Å; I121-L156 HydrophobicContact CG2-CD2 4.09Å; K125-L156 HydrophobicContact CD-CD2 4.47Å; K125-L156 HydrophobicContact CG-CD2 4.48Å; K125-L156 PolarHBondContact NZ-O 3.08Å; L136-L156 HydrophobicContact CD2-CD2 3.85Å; L136-L156 HydrophobicContact CG-CD1 4.41Å; L136-L156 HydrophobicContact CG-CD2 4.24Å; E137-L156 HydrophobicContact CB-CD1 4.11Å; E137-L156 HydrophobicContact CG-CD1 4.12Å; I140-L156 HydrophobicContact CB-CD1 4.21Å; I140-L156 HydrophobicContact CG1-CD1 4.06Å; I140-L156 HydrophobicContact CG2-CD1 4.42Å; L152-L156 WeakPolarHBondContact O-CG 3.16Å; L152-L156 PolarHBondContact O-N 3.46Å; I153-L156 HydrophobicContact CD1-CD1 4.3Å; I153-L156 PolarHBondContact O-N 3.44Å; L156-A158 PolarHBondContact O-N 3.32Å |
| 157 | Q | 98.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.3 | 172.3 | -57.2 | -46.5 | -57.4 | 0 | 0 | 113.3 | E137 I153 S154 L155 S159 | E137-Q157 PolarHBondContact OE1-NE2 3.41Å; I153-Q157 WeakPolarHBondContact O-CG 3.48Å; I153-Q157 PolarHBondContact O-N 2.9Å; I153-Q157 PolarHBondContact O-NE2 2.8Å; I153-Q157 VanDerWaalsContact O-NE2 3.15Å; S154-Q157 PolarHBondContact O-N 3.43Å; L155-Q157 PolarHBondContact O-N 2.93Å; L155-Q157 VanDerWaalsContact O-N 3.1Å; Q157-S159 PolarHBondContact O-N 3.46Å |
| 158 | A | 98.2 | Very high | 97.8 | Very high | 7 Ų | 7 | 58.1 Ų | 58.1 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | trans | 49.7 | 46.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N118 I121 R122 L155 L156 | N118-A158 HydrophobicContact CB-CB 4.07Å; N118-A158 VanDerWaalsContact CG-C 3.47Å; N118-A158 VanDerWaalsContact OD1-CA 3.29Å; N118-A158 WeakPolarHBondContact OD1-CA 3.42Å; N118-A158 PolarHBondContact OD1-O 3.1Å; I121-A158 HydrophobicContact CB-CB 4.08Å; I121-A158 HydrophobicContact CG2-CB 3.86Å; R122-A158 HydrophobicContact CG-CB 4Å; R122-A158 PolarHBondContact NH2-O 3.05Å; L155-A158 PolarHBondContact O-N 2.89Å; L156-A158 PolarHBondContact O-N 3.32Å | ||
| 159 | S | 97.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | trans | -121.4 | 15.8 | -173.2 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | N118 Q157 | N118-S159 PolarHBondContact OD1-N 3.34Å; Q157-S159 PolarHBondContact O-N 3.46Å | ||
| 160 | R | 97.5 | Very high | 97.8 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | trans | -64 | 138.9 | 174.4 | -179.1 | -177.1 | -68 | -80.5 | -0.8 | 109.3 | N118 E162 L197 T198 R200 | N118-R160 PolarHBondContact ND2-O 2.68Å; N118-R160 PolarHBondContact OD1-N 2.97Å; N118-R160 VanDerWaalsContact OD1-N 3.1Å; R160-E162 PolarHBondContact O-N 2.69Å; R160-L197 VanDerWaalsContact CZ-O 3.25Å; R160-L197 PolarHBondContact NH1-O 3.06Å; R160-L197 PolarHBondContact NH2-O 3.16Å; R160-T198 WeakPolarHBondContact CB-O 2.76Å; R160-T198 VanDerWaalsContact CZ-O 3.3Å; R160-T198 PolarHBondContact NH2-O 3.14Å; R160-R200 PolarHBondContact NH1-O 2.88Å | ||
| 161 | D | 97.9 | Very high | 97.9 | Very high | 77 Ų | 77 | 57 Ų | 57 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | trans | -66.1 | 119.4 | 164 | 176.1 | 20 | 0 | 0 | 0 | 109.4 | G163 H199 N201 | D161-G163 PolarHBondContact OD1-N 3.45Å; D161-H199 PolarHBondContact N-O 2.75Å; D161-N201 HydrophobicContact CB-CB 4.09Å; D161-N201 WeakPolarHBondContact O-CA 3.41Å; D161-N201 WeakPolarHBondContact O-CB 3.37Å; D161-N201 PolarHBondContact O-N 3.27Å; D161-N201 PolarHBondContact OD2-ND2 2.98Å | ||
| 162 | E | 95.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 63 Ų | 63 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | trans | -106.3 | 14 | 179.2 | -68.6 | 175.9 | 147.4 | 0 | 0 | 112.1 | T117 N118 R160 | T117-E162 VanDerWaalsContact CA-OE1 3.31Å; T117-E162 WeakPolarHBondContact CA-OE1 3.21Å; T117-E162 VanDerWaalsContact CB-OE1 3.26Å; T117-E162 WeakPolarHBondContact CB-OE1 3.43Å; N118-E162 PolarHBondContact N-OE1 2.63Å; N118-E162 PolarHBondContact ND2-OE2 3.44Å; R160-E162 PolarHBondContact O-N 2.69Å | ||
| 163 | G | 95.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 68.6 Ų | 68.6 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -70.9 | -176.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | D161 N201 | D161-G163 PolarHBondContact OD1-N 3.45Å; G163-N201 VanDerWaalsContact O-CB 3.32Å; G163-N201 WeakPolarHBondContact O-CB 3.48Å |
| 164 | Y | 95.5 | Very high | 97.9 | Very high | 151 Ų | 151 | 67.7 Ų | 67.7 | 59% | 0.592 | 34% | 0.343 | S | S | * | . | trans | -119.8 | 3.9 | 178.9 | -58.1 | -82.6 | 0 | 0 | 0 | 112.5 | M1 M203 | M1-Y164 HydrophobicContact CE-CE1 3.89Å; M1-Y164 HydrophobicContact CG-CE1 4.14Å; M1-Y164 HydrophobicContact SD-CE1 3.88Å; Y164-M203 HydrophobicContact CD1-CG 4.18Å | ||
| 165 | E | 97.3 | Very high | 97.9 | Very high | 167 Ų | 167 | 66.6 Ų | 66.6 | 78% | 0.78 | 34% | 0.335 | S | S | * | . | trans | -74.1 | 141.1 | -178.2 | -63.7 | -170.7 | 170.3 | 0 | 0 | 110.3 | N201 | E165-N201 PolarHBondContact O-ND2 3.45Š| ||
| 166 | V | 98.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 69.4 Ų | 69.4 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | trans | -121.7 | 124.8 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | M203 A207 | V166-M203 HydrophobicContact CG2-CB 3.54Å; V166-A207 HydrophobicContact CG1-CB 3.6Å | ||
| 167 | D | 98.5 | Very high | 97.9 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | trans | -102.5 | 107.1 | 167.6 | -176.9 | -26.3 | 0 | 0 | 0 | 107.7 | D169 L170 A171 Q204 | D167-D169 PolarHBondContact OD1-N 2.87Å; D167-L170 HydrophobicContact CB-CB 3.81Å; D167-L170 PolarHBondContact O-N 2.92Å; D167-L170 PolarHBondContact OD1-N 2.77Å; D167-A171 PolarHBondContact O-N 3.32Å; D167-Q204 PolarHBondContact O-NE2 3.43Å; D167-Q204 PolarHBondContact O-OE1 3.01Å | ||
| 168 | E | 98.4 | Very high | 97.8 | Very high | 123 Ų | 123 | 66.9 Ų | 66.9 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67 | -35.3 | -177.5 | -63 | -71.3 | 174 | 0 | 0 | 111.8 | L170 A171 E172 | E168-L170 VanDerWaalsContact C-N 3.34Å; E168-A171 WeakPolarHBondContact O-CB 3.45Å; E168-A171 PolarHBondContact O-N 2.82Å; E168-E172 PolarHBondContact O-N 3.13Å |
| 169 | D | 98.5 | Very high | 97.8 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.4 | -40.1 | 177.3 | -70.9 | -22.3 | 0 | 0 | 0 | 110 | D167 A171 Q173 | D167-D169 PolarHBondContact OD1-N 2.87Å; D169-A171 VanDerWaalsContact C-N 3.34Å; D169-Q173 VanDerWaalsContact O-CG 3.23Å; D169-Q173 WeakPolarHBondContact O-CG 3.34Å; D169-Q173 PolarHBondContact O-N 3.44Å; D169-Q173 PolarHBondContact O-NE2 3.16Å |
| 170 | L | 98.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 71.6 Ų | 71.6 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 172.3 | -178 | 61.2 | 0 | 0 | 0 | 111.7 | D167 E168 Q173 D174 | D167-L170 HydrophobicContact CB-CB 3.81Å; D167-L170 PolarHBondContact O-N 2.92Å; D167-L170 PolarHBondContact OD1-N 2.77Å; E168-L170 VanDerWaalsContact C-N 3.34Å; L170-Q173 PolarHBondContact O-N 2.47Å; L170-D174 WeakPolarHBondContact O-CB 3.32Å; L170-D174 PolarHBondContact O-N 3.01Å |
| 171 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D167 E168 D169 A175 Q204 A207 | D167-A171 PolarHBondContact O-N 3.32Å; E168-A171 WeakPolarHBondContact O-CB 3.45Å; E168-A171 PolarHBondContact O-N 2.82Å; D169-A171 VanDerWaalsContact C-N 3.34Å; A171-A175 WeakPolarHBondContact O-CB 3.41Å; A171-A175 PolarHBondContact O-N 2.91Å; A171-Q204 VanDerWaalsContact CA-NE2 3.35Å; A171-Q204 VanDerWaalsContact N-NE2 3.15Å; A171-A207 HydrophobicContact CB-CB 3.8Å |
| 172 | E | 98.6 | Very high | 97.2 | Very high | 126 Ų | 126 | 66.9 Ų | 66.9 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 174.9 | -69.6 | -175.6 | -179.1 | 0 | 0 | 112.1 | E168 A175 L176 A211 | E168-E172 PolarHBondContact O-N 3.13Å; E172-A175 PolarHBondContact O-N 2.98Å; E172-L176 PolarHBondContact O-N 3.12Å; E172-A211 HydrophobicContact CG-CB 4.41Å |
| 173 | Q | 98.6 | Very high | 97 | Very high | 119 Ų | 119 | 66 Ų | 66 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.2 | -45.9 | 176.9 | -73.6 | 169.8 | 41.5 | 0 | 0 | 112.8 | D169 L170 A175 L176 S177 | D169-Q173 VanDerWaalsContact O-CG 3.23Å; D169-Q173 WeakPolarHBondContact O-CG 3.34Å; D169-Q173 PolarHBondContact O-N 3.44Å; D169-Q173 PolarHBondContact O-NE2 3.16Å; L170-Q173 PolarHBondContact O-N 2.47Å; Q173-A175 VanDerWaalsContact C-N 3.3Å; Q173-A175 PolarHBondContact O-N 3.4Å; Q173-L176 PolarHBondContact O-N 3.43Å; Q173-S177 WeakPolarHBondContact O-CB 3.37Å; Q173-S177 PolarHBondContact O-N 3.29Å; Q173-S177 PolarHBondContact O-OG 3.44Å |
| 174 | D | 98.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.5 | -78.1 | -18 | 0 | 0 | 0 | 110.1 | L170 S177 L178 I196 R200 T208 | L170-D174 WeakPolarHBondContact O-CB 3.32Å; L170-D174 PolarHBondContact O-N 3.01Å; D174-S177 PolarHBondContact O-N 3.35Å; D174-L178 WeakPolarHBondContact O-CG 3.23Å; D174-L178 PolarHBondContact O-N 3.44Å; D174-I196 HydrophobicContact CB-CD1 4.02Å; D174-I196 HydrophobicContact CB-CG2 4.31Å; D174-R200 IonicContact OD1-CZ 3.16Å; D174-R200 IonicContact OD1-NE 3.4Å; D174-R200 IonicContact OD1-NH2 2.72Å; D174-R200 PolarHBondContact OD1-NH2 3.26Å; D174-R200 IonicContact OD2-CZ 3.06Å; D174-R200 IonicContact OD2-NE 3.29Å; D174-R200 PolarHBondContact OD2-NE 3.26Å; D174-R200 IonicContact OD2-NH2 2.69Å; D174-R200 PolarHBondContact OD2-NH2 3.47Å; D174-T208 HydrophobicContact CB-CG2 3.66Å |
| 175 | A | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A171 E172 Q173 S177 L178 F179 T208 A211 Y212 | A171-A175 WeakPolarHBondContact O-CB 3.41Å; A171-A175 PolarHBondContact O-N 2.91Å; E172-A175 PolarHBondContact O-N 2.98Å; Q173-A175 VanDerWaalsContact C-N 3.3Å; Q173-A175 PolarHBondContact O-N 3.4Å; A175-S177 VanDerWaalsContact C-N 3.31Å; A175-S177 PolarHBondContact O-N 2.9Å; A175-L178 PolarHBondContact O-N 2.9Å; A175-F179 PolarHBondContact O-N 3Å; A175-T208 HydrophobicContact CB-CG2 4.36Å; A175-A211 HydrophobicContact CB-CB 3.73Å; A175-Y212 WeakPolarHBondContact O-CD2 3.43Å |
| 176 | L | 98.2 | Very high | 95.1 | Very high | 75 Ų | 75 | 68 Ų | 68 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 173.9 | 179.3 | 62.1 | 0 | 0 | 0 | 111.2 | E172 Q173 L178 F179 E180 L215 | E172-L176 PolarHBondContact O-N 3.12Å; Q173-L176 PolarHBondContact O-N 3.43Å; L176-L178 PolarHBondContact O-N 2.72Å; L176-F179 WeakPolarHBondContact O-CB 3.44Å; L176-F179 PolarHBondContact O-N 2.97Å; L176-F179 VanDerWaalsContact O-N 3.16Å; L176-E180 HydrophobicContact CD1-CG 4.18Å; L176-E180 HydrophobicContact CG-CG 4.46Å; L176-E180 WeakPolarHBondContact O-CG 3.26Å; L176-E180 PolarHBondContact O-N 3.27Å; L176-L215 HydrophobicContact CB-CD2 4.21Å; L176-L215 HydrophobicContact CD1-CD2 3.96Å |
| 177 | S | 98.1 | Very high | 94.3 | Very high | 47 Ų | 47 | 67 Ų | 67 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.4 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | Q173 D174 A175 F179 E180 A181 | Q173-S177 WeakPolarHBondContact O-CB 3.37Å; Q173-S177 PolarHBondContact O-N 3.29Å; Q173-S177 PolarHBondContact O-OG 3.44Å; D174-S177 PolarHBondContact O-N 3.35Å; A175-S177 VanDerWaalsContact C-N 3.31Å; A175-S177 PolarHBondContact O-N 2.9Å; S177-F179 VanDerWaalsContact C-N 3.33Å; S177-F179 PolarHBondContact O-N 3.25Å; S177-E180 PolarHBondContact O-N 3.15Å; S177-A181 WeakPolarHBondContact O-CB 3.24Å; S177-A181 PolarHBondContact O-N 3.37Å |
| 178 | L | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 174.3 | -71.5 | 173.4 | 0 | 0 | 0 | 112 | D174 A175 L176 A181 G182 F193 I196 T208 Y212 I220 | D174-L178 WeakPolarHBondContact O-CG 3.23Å; D174-L178 PolarHBondContact O-N 3.44Å; A175-L178 PolarHBondContact O-N 2.9Å; L176-L178 PolarHBondContact O-N 2.72Å; L178-A181 PolarHBondContact O-N 3.26Å; L178-G182 PolarHBondContact O-N 3.06Å; L178-F193 HydrophobicContact CB-CZ 4.48Å; L178-F193 HydrophobicContact CD2-CB 4.45Å; L178-F193 HydrophobicContact CD2-CD1 3.79Å; L178-F193 HydrophobicContact CD2-CD2 3.96Å; L178-F193 HydrophobicContact CD2-CE1 3.93Å; L178-F193 HydrophobicContact CD2-CE2 4.08Å; L178-F193 HydrophobicContact CD2-CG 3.81Å; L178-F193 HydrophobicContact CD2-CZ 4.07Å; L178-I196 HydrophobicContact CD1-CG2 4.4Å; L178-I196 HydrophobicContact CD2-CD1 3.86Å; L178-I196 HydrophobicContact CG-CD1 3.79Å; L178-T208 HydrophobicContact CD1-CG2 3.83Å; L178-Y212 HydrophobicContact CB-CD2 3.84Å; L178-Y212 HydrophobicContact CB-CE2 3.88Å; L178-I220 HydrophobicContact CD1-CD1 4.35Å |
| 179 | F | 96.7 | Very high | 93.5 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 25% | 0.254 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -49.4 | 177.1 | 177.8 | -97.7 | 0 | 0 | 0 | 111.1 | A175 L176 S177 A181 G182 E183 G184 Y212 L215 | A175-F179 PolarHBondContact O-N 3Å; L176-F179 WeakPolarHBondContact O-CB 3.44Å; L176-F179 PolarHBondContact O-N 2.97Å; L176-F179 VanDerWaalsContact O-N 3.16Å; S177-F179 VanDerWaalsContact C-N 3.33Å; S177-F179 PolarHBondContact O-N 3.25Å; F179-A181 PolarHBondContact O-N 3.18Å; F179-G182 CarbonylContact O-C 3.44Å; F179-G182 PolarHBondContact O-N 3.3Å; F179-G182 VanDerWaalsContact O-N 3.16Å; F179-E183 HydrophobicContact CD2-CB 4.03Å; F179-E183 HydrophobicContact CE2-CB 3.75Å; F179-E183 HydrophobicContact CZ-CB 4.47Å; F179-E183 PolarHBondContact O-N 3.31Å; F179-G184 PolarHBondContact O-N 3.45Å; F179-Y212 HydrophobicContact CB-CD2 4.48Å; F179-Y212 HydrophobicContact CB-CE2 3.96Å; F179-L215 HydrophobicContact CB-CD2 3.98Å; F179-L215 HydrophobicContact CG-CD2 4.29Å |
| 180 | E | 96 | Very high | 93.3 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -26.2 | 177.9 | -68.6 | -177.5 | 167.3 | 0 | 0 | 113.4 | L176 S177 R185 | L176-E180 HydrophobicContact CD1-CG 4.18Å; L176-E180 HydrophobicContact CG-CG 4.46Å; L176-E180 WeakPolarHBondContact O-CG 3.26Å; L176-E180 PolarHBondContact O-N 3.27Å; S177-E180 PolarHBondContact O-N 3.15Å; E180-R185 WeakPolarHBondContact O-CG 3.49Å; E180-R185 PolarHBondContact O-NE 3.14Å |
| 181 | A | 93.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -78.8 | -22.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S177 L178 F179 T188 D189 T192 F193 | S177-A181 WeakPolarHBondContact O-CB 3.24Å; S177-A181 PolarHBondContact O-N 3.37Å; L178-A181 PolarHBondContact O-N 3.26Å; F179-A181 PolarHBondContact O-N 3.18Å; A181-T188 CarbonylContact O-C 3.46Å; A181-T188 WeakPolarHBondContact O-CA 3.31Å; A181-D189 HydrophobicContact CB-CB 3.68Å; A181-D189 PolarHBondContact O-N 2.87Å; A181-T192 HydrophobicContact CB-CG2 3.89Å; A181-F193 HydrophobicContact CB-CD2 4Å; A181-F193 HydrophobicContact CB-CE2 3.82Å |
| 182 | G | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -102.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L178 F179 G184 R185 | L178-G182 PolarHBondContact O-N 3.06Å; F179-G182 CarbonylContact O-C 3.44Å; F179-G182 PolarHBondContact O-N 3.3Å; F179-G182 VanDerWaalsContact O-N 3.16Å; G182-G184 PolarHBondContact O-N 2.65Å; G182-R185 VanDerWaalsContact O-CG 3.28Å; G182-R185 WeakPolarHBondContact O-CG 3.26Å; G182-R185 PolarHBondContact O-N 3.09Å |
| 183 | E | 89.5 | Confident | 93 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27 | -173.5 | -61.1 | -175.4 | -155.9 | 0 | 0 | 115.1 | F179 R185 Y212 T218 T223 | F179-E183 HydrophobicContact CD2-CB 4.03Å; F179-E183 HydrophobicContact CE2-CB 3.75Å; F179-E183 HydrophobicContact CZ-CB 4.47Å; F179-E183 PolarHBondContact O-N 3.31Å; E183-R185 PolarHBondContact O-N 3.41Å; E183-Y212 PolarHBondContact OE1-OH 2.85Å; E183-Y212 VanDerWaalsContact OE1-OH 3.12Å; E183-T218 WeakPolarHBondContact OE1-CB 3.39Å; E183-T218 PolarHBondContact OE1-OG1 2.86Å; E183-T223 HydrophobicContact CG-CG2 3.86Å; E183-T223 PolarHBondContact OE1-OG1 2.94Å |
| 184 | G | 81.5 | Confident | 93 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -4.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | F179 G182 | F179-G184 PolarHBondContact O-N 3.45Å; G182-G184 PolarHBondContact O-N 2.65Å |
| 185 | R | 87.4 | Confident | 92.9 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -141.7 | 176.6 | -177.1 | 60.8 | 166.3 | 55.6 | -177.8 | -1.9 | 112.8 | E180 G182 E183 G187 D189 | E180-R185 WeakPolarHBondContact O-CG 3.49Å; E180-R185 PolarHBondContact O-NE 3.14Å; G182-R185 VanDerWaalsContact O-CG 3.28Å; G182-R185 WeakPolarHBondContact O-CG 3.26Å; G182-R185 PolarHBondContact O-N 3.09Å; E183-R185 PolarHBondContact O-N 3.41Å; R185-G187 VanDerWaalsContact CG-O 3.27Å; R185-G187 WeakPolarHBondContact CG-O 3.5Å; R185-D189 IonicContact CZ-OD2 2.61Å; R185-D189 IonicContact NH1-OD2 2.68Å; R185-D189 PolarHBondContact NH1-OD2 3.35Å; R185-D189 VanDerWaalsContact NH1-OD2 3.15Å |
| 186 | F | 79.4 | Confident | 92.9 | Very high | 215 Ų | 215 | 55.5 Ų | 55.5 | 94% | 0.943 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -94.1 | 119.8 | 169.6 | -178.3 | -96.8 | 0 | 0 | 0 | 109.5 | ||
| 187 | G | 82 | Confident | 92.9 | Very high | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 80.1 | -177.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R185 | R185-G187 VanDerWaalsContact CG-O 3.27Å; R185-G187 WeakPolarHBondContact CG-O 3.5Å |
| 188 | T | 87.3 | Confident | 92.9 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | trans | -115.2 | 151.3 | -174.1 | -41.2 | 0 | 0 | 0 | 0 | 111.1 | A181 E190 F193 E227 | A181-T188 CarbonylContact O-C 3.46Å; A181-T188 WeakPolarHBondContact O-CA 3.31Å; T188-E190 VanDerWaalsContact O-OE2 3.06Å; T188-F193 HydrophobicContact CG2-CD2 4.07Å; T188-F193 HydrophobicContact CG2-CE2 4.03Å; T188-E227 HydrophobicContact CG2-CB 4.24Å; T188-E227 WeakPolarHBondContact OG1-CB 3.29Å; T188-E227 PolarHBondContact OG1-O 2.9Å; T188-E227 PolarHBondContact OG1-OE2 3.16Å | ||
| 189 | D | 92.9 | Very high | 92.9 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | trans | -98 | 85.2 | 165.5 | -164.8 | -47.5 | 0 | 0 | 0 | 109.1 | A181 R185 S191 T192 F193 | A181-D189 HydrophobicContact CB-CB 3.68Å; A181-D189 PolarHBondContact O-N 2.87Å; R185-D189 IonicContact CZ-OD2 2.61Å; R185-D189 IonicContact NH1-OD2 2.68Å; R185-D189 PolarHBondContact NH1-OD2 3.35Å; R185-D189 VanDerWaalsContact NH1-OD2 3.15Å; D189-S191 PolarHBondContact O-N 3.26Å; D189-S191 PolarHBondContact OD1-N 3.37Å; D189-S191 PolarHBondContact OD1-OG 2.73Å; D189-T192 PolarHBondContact O-N 3Å; D189-T192 PolarHBondContact OD1-N 2.94Å; D189-T192 VanDerWaalsContact OD1-N 3.14Å; D189-T192 PolarHBondContact OD1-OG1 3.48Å; D189-T192 VanDerWaalsContact OD1-OG1 3.07Å; D189-F193 PolarHBondContact O-N 2.9Å | ||
| 190 | E | 94.6 | Very high | 93 | Very high | 61 Ų | 61 | 51 Ų | 51 | 29% | 0.285 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -28 | -175.9 | -61.3 | 80.7 | -177.1 | 0 | 0 | 111.4 | D147 T188 T194 L232 Y236 | D147-E190 HydrophobicContact CB-CB 4.03Å; D147-E190 HydrophobicContact CB-CG 4.27Å; T188-E190 VanDerWaalsContact O-OE2 3.06Å; E190-T194 WeakPolarHBondContact O-CB 3.32Å; E190-T194 PolarHBondContact O-N 3.22Å; E190-T194 PolarHBondContact O-OG1 2.9Å; E190-L232 HydrophobicContact CB-CD2 4.23Å; E190-L232 HydrophobicContact CG-CD2 3.62Å; E190-Y236 PolarHBondContact O-OH 3.3Å |
| 191 | S | 95.5 | Very high | 93.1 | Very high | 80 Ų | 80 | 46 Ų | 46 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.7 | -39.1 | 179.3 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | D189 Y195 | D189-S191 PolarHBondContact O-N 3.26Å; D189-S191 PolarHBondContact OD1-N 3.37Å; D189-S191 PolarHBondContact OD1-OG 2.73Å; S191-Y195 WeakPolarHBondContact O-CB 3.3Å; S191-Y195 PolarHBondContact O-N 2.71Å |
| 192 | T | 97.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.221 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.7 | -48.1 | 178 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | A181 D189 T194 Y195 I196 | A181-T192 HydrophobicContact CB-CG2 3.89Å; D189-T192 PolarHBondContact O-N 3Å; D189-T192 PolarHBondContact OD1-N 2.94Å; D189-T192 VanDerWaalsContact OD1-N 3.14Å; D189-T192 PolarHBondContact OD1-OG1 3.48Å; D189-T192 VanDerWaalsContact OD1-OG1 3.07Å; T192-T194 VanDerWaalsContact C-N 3.34Å; T192-T194 PolarHBondContact O-N 3.3Å; T192-Y195 PolarHBondContact O-N 3.01Å; T192-I196 HydrophobicContact CG2-CD1 3.95Å; T192-I196 WeakPolarHBondContact O-CG1 3.37Å; T192-I196 PolarHBondContact O-N 3.33Å; T192-I196 VanDerWaalsContact O-N 3.12Å |
| 193 | F | 97.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 174.8 | -87.8 | -102 | 0 | 0 | 0 | 111.3 | L178 A181 T188 D189 L197 I220 I224 Y236 | L178-F193 HydrophobicContact CB-CZ 4.48Å; L178-F193 HydrophobicContact CD2-CB 4.45Å; L178-F193 HydrophobicContact CD2-CD1 3.79Å; L178-F193 HydrophobicContact CD2-CD2 3.96Å; L178-F193 HydrophobicContact CD2-CE1 3.93Å; L178-F193 HydrophobicContact CD2-CE2 4.08Å; L178-F193 HydrophobicContact CD2-CG 3.81Å; L178-F193 HydrophobicContact CD2-CZ 4.07Å; A181-F193 HydrophobicContact CB-CD2 4Å; A181-F193 HydrophobicContact CB-CE2 3.82Å; T188-F193 HydrophobicContact CG2-CD2 4.07Å; T188-F193 HydrophobicContact CG2-CE2 4.03Å; D189-F193 PolarHBondContact O-N 2.9Å; F193-L197 HydrophobicContact CD1-CD1 4.31Å; F193-L197 VanDerWaalsContact O-CB 3.24Å; F193-L197 WeakPolarHBondContact O-CB 3.23Å; F193-L197 VanDerWaalsContact O-CG 3.23Å; F193-L197 WeakPolarHBondContact O-CG 3.21Å; F193-L197 PolarHBondContact O-N 3.21Å; F193-I220 HydrophobicContact CE1-CD1 4Å; F193-I220 HydrophobicContact CZ-CD1 4.49Å; F193-I224 HydrophobicContact CD1-CG1 4.46Å; F193-I224 HydrophobicContact CE1-CG1 4.03Å; F193-Y236 HydrophobicContact CB-CE1 3.89Å; F193-Y236 HydrophobicContact CB-CE2 3.94Å; F193-Y236 HydrophobicContact CD1-CD2 4.5Å; F193-Y236 HydrophobicContact CD1-CE2 4.45Å; F193-Y236 HydrophobicContact CG-CE2 4.38Å |
| 194 | T | 97.7 | Very high | 94 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -53.5 | 179 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | L151 E190 T192 I196 L197 T198 Y236 | L151-T194 HydrophobicContact CB-CG2 3.86Å; L151-T194 HydrophobicContact CG-CG2 4.03Å; E190-T194 WeakPolarHBondContact O-CB 3.32Å; E190-T194 PolarHBondContact O-N 3.22Å; E190-T194 PolarHBondContact O-OG1 2.9Å; T192-T194 VanDerWaalsContact C-N 3.34Å; T192-T194 PolarHBondContact O-N 3.3Å; T194-I196 PolarHBondContact O-N 3.18Å; T194-L197 PolarHBondContact O-N 2.97Å; T194-T198 HydrophobicContact CG2-CG2 4.16Å; T194-T198 WeakPolarHBondContact O-CB 3.35Å; T194-T198 VanDerWaalsContact O-CG2 3.28Å; T194-T198 WeakPolarHBondContact O-CG2 3.34Å; T194-T198 PolarHBondContact O-N 3.1Å; T194-T198 PolarHBondContact O-OG1 2.91Å; T194-Y236 PolarHBondContact OG1-OH 3.34Å |
| 195 | Y | 98 | Very high | 94.8 | Very high | 118 Ų | 118 | 44.5 Ų | 44.5 | 46% | 0.463 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.1 | -50.4 | -177.4 | 175.3 | -103.6 | 0 | 0 | 0 | 112.4 | S191 T192 H199 R200 | S191-Y195 WeakPolarHBondContact O-CB 3.3Å; S191-Y195 PolarHBondContact O-N 2.71Å; T192-Y195 PolarHBondContact O-N 3.01Å; Y195-H199 AromaticContact CD2-CE1 3.7Å; Y195-H199 AromaticContact CD2-ND1 3.55Å; Y195-H199 HydrophobicContact CE2-CB 4.49Å; Y195-H199 AromaticContact CE2-CG 3.9Å; Y195-H199 AromaticContact CE2-ND1 3.9Å; Y195-H199 WeakPolarHBondContact O-CB 3.29Å; Y195-H199 PolarHBondContact O-N 3.3Å; Y195-H199 VanDerWaalsContact O-N 3.13Å; Y195-H199 PolarHBondContact O-ND1 3.01Å; Y195-R200 PolarHBondContact OH-NH1 2.96Å |
| 196 | I | 98.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -50.1 | -178.6 | -66.2 | 170 | 0 | 0 | 0 | 110 | D174 L178 T192 T194 T198 R200 L205 | D174-I196 HydrophobicContact CB-CD1 4.02Å; D174-I196 HydrophobicContact CB-CG2 4.31Å; L178-I196 HydrophobicContact CD1-CG2 4.4Å; L178-I196 HydrophobicContact CD2-CD1 3.86Å; L178-I196 HydrophobicContact CG-CD1 3.79Å; T192-I196 HydrophobicContact CG2-CD1 3.95Å; T192-I196 WeakPolarHBondContact O-CG1 3.37Å; T192-I196 PolarHBondContact O-N 3.33Å; T192-I196 VanDerWaalsContact O-N 3.12Å; T194-I196 PolarHBondContact O-N 3.18Å; I196-T198 VanDerWaalsContact C-N 3.34Å; I196-T198 PolarHBondContact O-N 3.44Å; I196-R200 HydrophobicContact CG2-CG 4.15Å; I196-R200 WeakPolarHBondContact O-CB 3.42Å; I196-R200 WeakPolarHBondContact O-CG 3.5Å; I196-R200 PolarHBondContact O-N 3.46Å; I196-L205 HydrophobicContact CG2-CD2 3.97Å |
| 197 | L | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.6 | -26.7 | -175 | -66.9 | 174.5 | 0 | 0 | 0 | 113.5 | R160 F193 T194 L205 F209 Y236 L239 V240 | R160-L197 VanDerWaalsContact CZ-O 3.25Å; R160-L197 PolarHBondContact NH1-O 3.06Å; R160-L197 PolarHBondContact NH2-O 3.16Å; F193-L197 HydrophobicContact CD1-CD1 4.31Å; F193-L197 VanDerWaalsContact O-CB 3.24Å; F193-L197 WeakPolarHBondContact O-CB 3.23Å; F193-L197 VanDerWaalsContact O-CG 3.23Å; F193-L197 WeakPolarHBondContact O-CG 3.21Å; F193-L197 PolarHBondContact O-N 3.21Å; T194-L197 PolarHBondContact O-N 2.97Å; L197-L205 HydrophobicContact CD2-CD2 4.14Å; L197-F209 HydrophobicContact CD2-CE1 3.82Å; L197-F209 HydrophobicContact CD2-CZ 3.65Å; L197-Y236 HydrophobicContact CD1-CD1 3.38Å; L197-Y236 HydrophobicContact CD1-CE1 4Å; L197-Y236 HydrophobicContact CD1-CG 3.89Å; L197-L239 HydrophobicContact CB-CB 4.35Å; L197-L239 HydrophobicContact CB-CD1 3.86Å; L197-V240 HydrophobicContact CD2-CG2 3.91Å |
| 198 | T | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -90 | -24.4 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 114 | L151 S154 L155 R160 T194 I196 L239 | L151-T198 HydrophobicContact CG-CG2 4.17Å; S154-T198 WeakPolarHBondContact OG-CB 3.42Å; S154-T198 PolarHBondContact OG-OG1 2.73Å; L155-T198 HydrophobicContact CD2-CG2 3.8Å; L155-T198 HydrophobicContact CG-CG2 3.96Å; R160-T198 WeakPolarHBondContact CB-O 2.76Å; R160-T198 VanDerWaalsContact CZ-O 3.3Å; R160-T198 PolarHBondContact NH2-O 3.14Å; T194-T198 HydrophobicContact CG2-CG2 4.16Å; T194-T198 WeakPolarHBondContact O-CB 3.35Å; T194-T198 VanDerWaalsContact O-CG2 3.28Å; T194-T198 WeakPolarHBondContact O-CG2 3.34Å; T194-T198 PolarHBondContact O-N 3.1Å; T194-T198 PolarHBondContact O-OG1 2.91Å; I196-T198 VanDerWaalsContact C-N 3.34Å; I196-T198 PolarHBondContact O-N 3.44Å; T198-L239 HydrophobicContact CG2-CD1 4.28Å |
| 199 | H | 97.8 | Very high | 97.6 | Very high | 48 Ų | 48 | 30.3 Ų | 30.3 | 22% | 0.222 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -104.7 | -31.6 | -172.2 | -67.6 | 75.2 | 0 | 0 | 0 | 115 | S154 D161 Y195 | S154-H199 PolarHBondContact OG-CE1 2.87Å; D161-H199 PolarHBondContact N-O 2.75Å; Y195-H199 AromaticContact CD2-CE1 3.7Å; Y195-H199 AromaticContact CD2-ND1 3.55Å; Y195-H199 HydrophobicContact CE2-CB 4.49Å; Y195-H199 AromaticContact CE2-CG 3.9Å; Y195-H199 AromaticContact CE2-ND1 3.9Å; Y195-H199 WeakPolarHBondContact O-CB 3.29Å; Y195-H199 PolarHBondContact O-N 3.3Å; Y195-H199 VanDerWaalsContact O-N 3.13Å; Y195-H199 PolarHBondContact O-ND1 3.01Å |
| 200 | R | 98.3 | Very high | 97.9 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 13% | 0.132 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -75.3 | 147.3 | -176.1 | -60.6 | -58.1 | -174.4 | -100.7 | -7.1 | 111.7 | R160 D174 Y195 I196 Q204 L205 | R160-R200 PolarHBondContact NH1-O 2.88Å; D174-R200 IonicContact OD1-CZ 3.16Å; D174-R200 IonicContact OD1-NE 3.4Å; D174-R200 IonicContact OD1-NH2 2.72Å; D174-R200 PolarHBondContact OD1-NH2 3.26Å; D174-R200 IonicContact OD2-CZ 3.06Å; D174-R200 IonicContact OD2-NE 3.29Å; D174-R200 PolarHBondContact OD2-NE 3.26Å; D174-R200 IonicContact OD2-NH2 2.69Å; D174-R200 PolarHBondContact OD2-NH2 3.47Å; Y195-R200 PolarHBondContact OH-NH1 2.96Å; I196-R200 HydrophobicContact CG2-CG 4.15Å; I196-R200 WeakPolarHBondContact O-CB 3.42Å; I196-R200 WeakPolarHBondContact O-CG 3.5Å; I196-R200 PolarHBondContact O-N 3.46Å; R200-Q204 HydrophobicContact CB-CB 4.31Å; R200-Q204 HydrophobicContact CB-CG 4.16Å; R200-Q204 HydrophobicContact CG-CG 4.28Å; R200-L205 HydrophobicContact CB-CD2 3.71Å; R200-L205 HydrophobicContact CB-CG 3.73Å; R200-L205 HydrophobicContact CG-CD2 4.24Å |
| 201 | N | 97.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | trans | -68.3 | 161.4 | 171.1 | 76.8 | 69.2 | 0 | 0 | 0 | 111.5 | D161 G163 E165 M203 Q204 L205 | D161-N201 HydrophobicContact CB-CB 4.09Å; D161-N201 WeakPolarHBondContact O-CA 3.41Å; D161-N201 WeakPolarHBondContact O-CB 3.37Å; D161-N201 PolarHBondContact O-N 3.27Å; D161-N201 PolarHBondContact OD2-ND2 2.98Å; G163-N201 VanDerWaalsContact O-CB 3.32Å; G163-N201 WeakPolarHBondContact O-CB 3.48Å; E165-N201 PolarHBondContact O-ND2 3.45Å; N201-M203 VanDerWaalsContact C-N 3.33Å; N201-M203 PolarHBondContact O-N 2.74Å; N201-M203 WeakPolarHBondContact OD1-CA 3.29Å; N201-M203 WeakPolarHBondContact OD1-CB 3.36Å; N201-M203 PolarHBondContact OD1-N 2.95Å; N201-Q204 PolarHBondContact O-N 2.98Å; N201-Q204 PolarHBondContact OD1-N 3.14Å; N201-L205 WeakPolarHBondContact O-CG 3.46Å; N201-L205 PolarHBondContact O-N 3.12Å | ||
| 202 | Y | 97 | Very high | 98.2 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 16% | 0.157 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -34.1 | -174.7 | -68.6 | -10.3 | 0 | 0 | 0 | 113.3 | M1 L205 Q206 A243 P246 | M1-Y202 HydrophobicContact CE-CD2 3.73Å; M1-Y202 HydrophobicContact CE-CG 4.4Å; Y202-L205 HydrophobicContact CD1-CD1 4.47Å; Y202-L205 PolarHBondContact O-N 3.3Å; Y202-Q206 VanDerWaalsContact O-CG 3.3Å; Y202-Q206 WeakPolarHBondContact O-CG 3.39Å; Y202-Q206 PolarHBondContact O-N 3.35Å; Y202-A243 HydrophobicContact CD1-CB 4.05Å; Y202-A243 HydrophobicContact CG-CB 4.41Å; Y202-P246 HydrophobicContact CE2-CG 4.11Å |
| 203 | M | 97.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 33 Ų | 33 | 21% | 0.212 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.7 | -41.3 | 177.8 | -57.6 | -63.5 | 91.5 | 0 | 0 | 110.7 | M1 Y164 V166 N201 Q206 A207 | M1-M203 HydrophobicContact CE-CE 4.43Å; Y164-M203 HydrophobicContact CD1-CG 4.18Å; V166-M203 HydrophobicContact CG2-CB 3.54Å; N201-M203 VanDerWaalsContact C-N 3.33Å; N201-M203 PolarHBondContact O-N 2.74Å; N201-M203 WeakPolarHBondContact OD1-CA 3.29Å; N201-M203 WeakPolarHBondContact OD1-CB 3.36Å; N201-M203 PolarHBondContact OD1-N 2.95Å; M203-Q206 PolarHBondContact O-N 3.03Å; M203-A207 PolarHBondContact O-N 2.78Å; M203-A207 VanDerWaalsContact O-N 3.09Å |
| 204 | Q | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.4 | -175.3 | 63.7 | 37.9 | 0 | 0 | 111.4 | D167 A171 R200 N201 Q206 A207 T208 | D167-Q204 PolarHBondContact O-NE2 3.43Å; D167-Q204 PolarHBondContact O-OE1 3.01Å; A171-Q204 VanDerWaalsContact CA-NE2 3.35Å; A171-Q204 VanDerWaalsContact N-NE2 3.15Å; R200-Q204 HydrophobicContact CB-CB 4.31Å; R200-Q204 HydrophobicContact CB-CG 4.16Å; R200-Q204 HydrophobicContact CG-CG 4.28Å; N201-Q204 PolarHBondContact O-N 2.98Å; N201-Q204 PolarHBondContact OD1-N 3.14Å; Q204-Q206 VanDerWaalsContact C-N 3.31Å; Q204-Q206 PolarHBondContact O-N 2.96Å; Q204-A207 WeakPolarHBondContact O-CB 3.35Å; Q204-A207 PolarHBondContact O-N 3.24Å; Q204-A207 VanDerWaalsContact O-N 3.14Å; Q204-T208 PolarHBondContact O-N 3.1Å; Q204-T208 PolarHBondContact O-OG1 3.1Å; Q204-T208 VanDerWaalsContact O-OG1 3.12Å |
| 205 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 177.4 | -74.9 | 177.3 | 0 | 0 | 0 | 112.3 | I196 L197 R200 N201 Y202 A207 T208 F209 A243 | I196-L205 HydrophobicContact CG2-CD2 3.97Å; L197-L205 HydrophobicContact CD2-CD2 4.14Å; R200-L205 HydrophobicContact CB-CD2 3.71Å; R200-L205 HydrophobicContact CB-CG 3.73Å; R200-L205 HydrophobicContact CG-CD2 4.24Å; N201-L205 WeakPolarHBondContact O-CG 3.46Å; N201-L205 PolarHBondContact O-N 3.12Å; Y202-L205 HydrophobicContact CD1-CD1 4.47Å; Y202-L205 PolarHBondContact O-N 3.3Å; L205-A207 VanDerWaalsContact C-N 3.35Å; L205-A207 PolarHBondContact O-N 3Å; L205-T208 PolarHBondContact O-N 3.44Å; L205-F209 HydrophobicContact CB-CE2 3.94Å; L205-F209 HydrophobicContact CB-CZ 3.87Å; L205-F209 HydrophobicContact CD2-CE1 4.27Å; L205-F209 HydrophobicContact CD2-CZ 4.05Å; L205-F209 HydrophobicContact CG-CZ 4.38Å; L205-F209 WeakPolarHBondContact O-CD1 3.11Å; L205-F209 WeakPolarHBondContact O-CD2 3.4Å; L205-F209 WeakPolarHBondContact O-CG 3.28Å; L205-F209 PolarHBondContact O-N 3.5Å; L205-A243 HydrophobicContact CB-CB 3.86Å; L205-A243 HydrophobicContact CD1-CB 3.78Å; L205-A243 HydrophobicContact CG-CB 4.49Å |
| 206 | Q | 98.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 37 Ų | 37 | 36% | 0.36 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.3 | -73.3 | 178.9 | 18.7 | 0 | 0 | 112.1 | Y202 M203 Q204 F209 K210 A243 K244 | Y202-Q206 VanDerWaalsContact O-CG 3.3Å; Y202-Q206 WeakPolarHBondContact O-CG 3.39Å; Y202-Q206 PolarHBondContact O-N 3.35Å; M203-Q206 PolarHBondContact O-N 3.03Å; Q204-Q206 VanDerWaalsContact C-N 3.31Å; Q204-Q206 PolarHBondContact O-N 2.96Å; Q206-F209 PolarHBondContact O-N 3.19Å; Q206-K210 PolarHBondContact O-N 3.48Å; Q206-K210 VanDerWaalsContact O-N 3.1Å; Q206-A243 WeakPolarHBondContact CG-O 3.43Å; Q206-A243 PolarHBondContact NE2-O 2.88Å; Q206-K244 PolarHBondContact NE2-O 2.87Å |
| 207 | A | 98.8 | Very high | 98 | Very high | 16 Ų | 16 | 40 Ų | 40 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V166 A171 M203 Q204 L205 F209 K210 A211 | V166-A207 HydrophobicContact CG1-CB 3.6Å; A171-A207 HydrophobicContact CB-CB 3.8Å; M203-A207 PolarHBondContact O-N 2.78Å; M203-A207 VanDerWaalsContact O-N 3.09Å; Q204-A207 WeakPolarHBondContact O-CB 3.35Å; Q204-A207 PolarHBondContact O-N 3.24Å; Q204-A207 VanDerWaalsContact O-N 3.14Å; L205-A207 VanDerWaalsContact C-N 3.35Å; L205-A207 PolarHBondContact O-N 3Å; A207-F209 PolarHBondContact O-N 2.98Å; A207-K210 PolarHBondContact O-N 2.81Å; A207-A211 PolarHBondContact O-N 3.4Å |
| 208 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 175 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | D174 A175 L178 Q204 L205 K210 A211 Y212 | D174-T208 HydrophobicContact CB-CG2 3.66Å; A175-T208 HydrophobicContact CB-CG2 4.36Å; L178-T208 HydrophobicContact CD1-CG2 3.83Å; Q204-T208 PolarHBondContact O-N 3.1Å; Q204-T208 PolarHBondContact O-OG1 3.1Å; Q204-T208 VanDerWaalsContact O-OG1 3.12Å; L205-T208 PolarHBondContact O-N 3.44Å; T208-K210 VanDerWaalsContact C-N 3.33Å; T208-K210 PolarHBondContact O-N 3.22Å; T208-A211 PolarHBondContact O-N 2.92Å; T208-Y212 VanDerWaalsContact O-CB 3.29Å; T208-Y212 WeakPolarHBondContact O-CB 3.39Å; T208-Y212 PolarHBondContact O-N 3.44Å |
| 209 | F | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -34.8 | 179.9 | -56.8 | -28 | 0 | 0 | 0 | 112.7 | L197 L205 Q206 A207 Y212 E213 I220 V240 A243 K244 | L197-F209 HydrophobicContact CD2-CE1 3.82Å; L197-F209 HydrophobicContact CD2-CZ 3.65Å; L205-F209 HydrophobicContact CB-CE2 3.94Å; L205-F209 HydrophobicContact CB-CZ 3.87Å; L205-F209 HydrophobicContact CD2-CE1 4.27Å; L205-F209 HydrophobicContact CD2-CZ 4.05Å; L205-F209 HydrophobicContact CG-CZ 4.38Å; L205-F209 WeakPolarHBondContact O-CD1 3.11Å; L205-F209 WeakPolarHBondContact O-CD2 3.4Å; L205-F209 WeakPolarHBondContact O-CG 3.28Å; L205-F209 PolarHBondContact O-N 3.5Å; Q206-F209 PolarHBondContact O-N 3.19Å; A207-F209 PolarHBondContact O-N 2.98Å; F209-Y212 WeakPolarHBondContact O-CB 3.34Å; F209-Y212 PolarHBondContact O-N 3.37Å; F209-E213 PolarHBondContact O-N 3.15Å; F209-I220 HydrophobicContact CB-CG2 4.08Å; F209-I220 HydrophobicContact CD1-CB 4.2Å; F209-I220 HydrophobicContact CD1-CG1 4.04Å; F209-I220 HydrophobicContact CD1-CG2 3.84Å; F209-I220 HydrophobicContact CD2-CG2 4.3Å; F209-I220 HydrophobicContact CE1-CG1 4.24Å; F209-I220 HydrophobicContact CE1-CG2 4.39Å; F209-I220 HydrophobicContact CG-CG2 3.81Å; F209-V240 HydrophobicContact CD2-CG1 4.25Å; F209-V240 HydrophobicContact CE1-CG2 4.21Å; F209-V240 HydrophobicContact CE2-CB 4.23Å; F209-V240 HydrophobicContact CE2-CG1 3.84Å; F209-V240 HydrophobicContact CE2-CG2 4.15Å; F209-V240 HydrophobicContact CZ-CB 4.26Å; F209-V240 HydrophobicContact CZ-CG1 4.23Å; F209-V240 HydrophobicContact CZ-CG2 3.7Å; F209-A243 HydrophobicContact CE2-CB 3.98Å; F209-K244 HydrophobicContact CD2-CG 4.5Å |
| 210 | K | 98.6 | Very high | 97.8 | Very high | 151 Ų | 151 | 41.3 Ų | 41.3 | 66% | 0.657 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.4 | -42.1 | 174.8 | -175.3 | -173.3 | 175.5 | -168.8 | 0 | 111.9 | Q206 A207 T208 Y212 S214 | Q206-K210 PolarHBondContact O-N 3.48Å; Q206-K210 VanDerWaalsContact O-N 3.1Å; A207-K210 PolarHBondContact O-N 2.81Å; T208-K210 VanDerWaalsContact C-N 3.33Å; T208-K210 PolarHBondContact O-N 3.22Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; K210-S214 WeakPolarHBondContact O-CB 3.4Å; K210-S214 PolarHBondContact O-N 3.4Å; K210-S214 VanDerWaalsContact O-N 3.1Å; K210-S214 PolarHBondContact O-OG 2.89Å |
| 211 | A | 98.7 | Very high | 97.8 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | E172 A175 A207 T208 S214 L215 | E172-A211 HydrophobicContact CG-CB 4.41Å; A175-A211 HydrophobicContact CB-CB 3.73Å; A207-A211 PolarHBondContact O-N 3.4Å; T208-A211 PolarHBondContact O-N 2.92Å; A211-S214 WeakPolarHBondContact O-CB 3.41Å; A211-S214 PolarHBondContact O-N 3.41Å; A211-L215 WeakPolarHBondContact O-CB 3.48Å; A211-L215 PolarHBondContact O-N 3.35Å |
| 212 | Y | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -53.4 | 174.9 | -177.2 | -87 | 0 | 0 | 0 | 111.7 | A175 L178 F179 E183 T208 F209 K210 S214 L215 S216 T218 I220 T223 | A175-Y212 WeakPolarHBondContact O-CD2 3.43Å; L178-Y212 HydrophobicContact CB-CD2 3.84Å; L178-Y212 HydrophobicContact CB-CE2 3.88Å; F179-Y212 HydrophobicContact CB-CD2 4.48Å; F179-Y212 HydrophobicContact CB-CE2 3.96Å; E183-Y212 PolarHBondContact OE1-OH 2.85Å; E183-Y212 VanDerWaalsContact OE1-OH 3.12Å; T208-Y212 VanDerWaalsContact O-CB 3.29Å; T208-Y212 WeakPolarHBondContact O-CB 3.39Å; T208-Y212 PolarHBondContact O-N 3.44Å; F209-Y212 WeakPolarHBondContact O-CB 3.34Å; F209-Y212 PolarHBondContact O-N 3.37Å; K210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 3.38Å; Y212-L215 WeakPolarHBondContact O-CB 3.28Å; Y212-L215 PolarHBondContact O-N 3.26Å; Y212-S216 VanDerWaalsContact CE1-OG 3.29Å; Y212-S216 WeakPolarHBondContact CE1-OG 3.5Å; Y212-S216 PolarHBondContact O-N 3.13Å; Y212-S216 PolarHBondContact O-OG 3.38Å; Y212-T218 WeakPolarHBondContact CD1-O 3.38Å; Y212-T218 WeakPolarHBondContact CE1-O 3.5Å; Y212-I220 HydrophobicContact CD1-CB 4.15Å; Y212-I220 HydrophobicContact CD1-CD1 4.11Å; Y212-I220 HydrophobicContact CD2-CD1 4.24Å; Y212-I220 HydrophobicContact CE1-CB 4.44Å; Y212-I220 HydrophobicContact CE1-CD1 3.98Å; Y212-I220 HydrophobicContact CE2-CD1 4.09Å; Y212-I220 HydrophobicContact CG-CD1 4.26Å; Y212-T223 WeakPolarHBondContact CE1-OG1 3.49Å; Y212-T223 VanDerWaalsContact OH-CG2 3.26Å; Y212-T223 WeakPolarHBondContact OH-CG2 3.46Å; Y212-T223 PolarHBondContact OH-OG1 3.05Å |
| 213 | E | 98.1 | Very high | 97.6 | Very high | 101 Ų | 101 | 44.3 Ų | 44.3 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 178.4 | -174.1 | -179 | -166.1 | 0 | 0 | 111.7 | F209 L215 G217 | F209-E213 PolarHBondContact O-N 3.15Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 2.88Å; E213-G217 VanDerWaalsContact O-CA 3.25Å; E213-G217 WeakPolarHBondContact O-CA 3.25Å; E213-G217 PolarHBondContact O-N 3.3Å |
| 214 | S | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 70% | 0.699 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.9 | -30.9 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 113 | K210 A211 Y212 | K210-S214 WeakPolarHBondContact O-CB 3.4Å; K210-S214 PolarHBondContact O-N 3.4Å; K210-S214 VanDerWaalsContact O-N 3.1Å; K210-S214 PolarHBondContact O-OG 2.89Å; A211-S214 WeakPolarHBondContact O-CB 3.41Å; A211-S214 PolarHBondContact O-N 3.41Å; Y212-S214 PolarHBondContact O-N 3.38Å |
| 215 | L | 96.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 46.9 Ų | 46.9 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -82.9 | -49.7 | -179.6 | 176.1 | 66.6 | 0 | 0 | 0 | 112.4 | L176 F179 A211 Y212 E213 | L176-L215 HydrophobicContact CB-CD2 4.21Å; L176-L215 HydrophobicContact CD1-CD2 3.96Å; F179-L215 HydrophobicContact CB-CD2 3.98Å; F179-L215 HydrophobicContact CG-CD2 4.29Å; A211-L215 WeakPolarHBondContact O-CB 3.48Å; A211-L215 PolarHBondContact O-N 3.35Å; Y212-L215 WeakPolarHBondContact O-CB 3.28Å; Y212-L215 PolarHBondContact O-N 3.26Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 2.88Å |
| 216 | S | 95.1 | Very high | 97.2 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -89.6 | -28 | -173.3 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | Y212 T218 | Y212-S216 VanDerWaalsContact CE1-OG 3.29Å; Y212-S216 WeakPolarHBondContact CE1-OG 3.5Å; Y212-S216 PolarHBondContact O-N 3.13Å; Y212-S216 PolarHBondContact O-OG 3.38Å; S216-T218 VanDerWaalsContact C-N 3.29Å; S216-T218 PolarHBondContact OG-N 3.39Å; S216-T218 PolarHBondContact OG-O 3.1Å |
| 217 | G | 96.5 | Very high | 96.9 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 78 | 10.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E213 | E213-G217 VanDerWaalsContact O-CA 3.25Å; E213-G217 WeakPolarHBondContact O-CA 3.25Å; E213-G217 PolarHBondContact O-N 3.3Å |
| 218 | T | 95.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -125 | 139 | -175.8 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | E183 Y212 S216 D222 | E183-T218 WeakPolarHBondContact OE1-CB 3.39Å; E183-T218 PolarHBondContact OE1-OG1 2.86Å; Y212-T218 WeakPolarHBondContact CD1-O 3.38Å; Y212-T218 WeakPolarHBondContact CE1-O 3.5Å; S216-T218 VanDerWaalsContact C-N 3.29Å; S216-T218 PolarHBondContact OG-N 3.39Å; S216-T218 PolarHBondContact OG-O 3.1Å; T218-D222 HydrophobicContact CG2-CB 3.82Å |
| 219 | D | 96.9 | Very high | 96.5 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | trans | -68.9 | 137.9 | 170.7 | -177.5 | -88.1 | 0 | 0 | 0 | 109.6 | L221 D222 T223 K244 | D219-L221 PolarHBondContact O-N 3.4Å; D219-L221 WeakPolarHBondContact OD1-CB 3.28Å; D219-L221 WeakPolarHBondContact OD1-CG 3.18Å; D219-L221 PolarHBondContact OD1-N 2.94Å; D219-D222 WeakPolarHBondContact O-CB 3.36Å; D219-D222 PolarHBondContact O-N 3.21Å; D219-T223 PolarHBondContact O-N 2.79Å; D219-K244 IonicContact OD1-NZ 2.76Å; D219-K244 PolarHBondContact OD1-NZ 2.95Å; D219-K244 IonicContact OD2-NZ 3.79Å; D219-K244 PolarHBondContact OD2-NZ 3.31Å | ||
| 220 | I | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.8 | -30.2 | -178.2 | -171.6 | 59.3 | 0 | 0 | 0 | 113.6 | L178 F193 F209 Y212 T223 I224 V240 | L178-I220 HydrophobicContact CD1-CD1 4.35Å; F193-I220 HydrophobicContact CE1-CD1 4Å; F193-I220 HydrophobicContact CZ-CD1 4.49Å; F209-I220 HydrophobicContact CB-CG2 4.08Å; F209-I220 HydrophobicContact CD1-CB 4.2Å; F209-I220 HydrophobicContact CD1-CG1 4.04Å; F209-I220 HydrophobicContact CD1-CG2 3.84Å; F209-I220 HydrophobicContact CD2-CG2 4.3Å; F209-I220 HydrophobicContact CE1-CG1 4.24Å; F209-I220 HydrophobicContact CE1-CG2 4.39Å; F209-I220 HydrophobicContact CG-CG2 3.81Å; Y212-I220 HydrophobicContact CD1-CB 4.15Å; Y212-I220 HydrophobicContact CD1-CD1 4.11Å; Y212-I220 HydrophobicContact CD2-CD1 4.24Å; Y212-I220 HydrophobicContact CE1-CB 4.44Å; Y212-I220 HydrophobicContact CE1-CD1 3.98Å; Y212-I220 HydrophobicContact CE2-CD1 4.09Å; Y212-I220 HydrophobicContact CG-CD1 4.26Å; I220-T223 PolarHBondContact O-N 3.17Å; I220-I224 HydrophobicContact CG1-CD1 4.03Å; I220-I224 WeakPolarHBondContact O-CD1 3.2Å; I220-I224 VanDerWaalsContact O-CG1 3.27Å; I220-I224 WeakPolarHBondContact O-CG1 3.47Å; I220-I224 PolarHBondContact O-N 2.95Å; I220-V240 HydrophobicContact CG2-CG1 3.82Å; I220-V240 HydrophobicContact CG2-CG2 4.46Å |
| 221 | L | 97.7 | Very high | 96.4 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.5 | -34.2 | 176.1 | -68.2 | 172.1 | 0 | 0 | 0 | 112 | D219 I224 D225 V237 V240 | D219-L221 PolarHBondContact O-N 3.4Å; D219-L221 WeakPolarHBondContact OD1-CB 3.28Å; D219-L221 WeakPolarHBondContact OD1-CG 3.18Å; D219-L221 PolarHBondContact OD1-N 2.94Å; L221-I224 PolarHBondContact O-N 2.96Å; L221-D225 WeakPolarHBondContact O-CB 3.36Å; L221-D225 PolarHBondContact O-N 2.93Å; L221-V237 HydrophobicContact CD2-CB 4.49Å; L221-V237 HydrophobicContact CD2-CG1 4.37Å; L221-V237 HydrophobicContact CD2-CG2 4.26Å; L221-V240 HydrophobicContact CD1-CG1 4.42Å; L221-V240 HydrophobicContact CD2-CB 3.81Å; L221-V240 HydrophobicContact CD2-CG1 3.53Å; L221-V240 HydrophobicContact CD2-CG2 4.47Å; L221-V240 HydrophobicContact CG-CG1 3.81Å |
| 222 | D | 96.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 50.7 Ų | 50.7 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 176.7 | -65.4 | -26.7 | 0 | 0 | 0 | 110.1 | T218 D219 D225 A226 | T218-D222 HydrophobicContact CG2-CB 3.82Å; D219-D222 WeakPolarHBondContact O-CB 3.36Å; D219-D222 PolarHBondContact O-N 3.21Å; D222-D225 WeakPolarHBondContact O-CB 3.32Å; D222-D225 PolarHBondContact O-N 3.47Å; D222-A226 PolarHBondContact O-N 2.9Å; D222-A226 VanDerWaalsContact O-N 3.16Å |
| 223 | T | 95.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 171.5 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | E183 Y212 D219 I220 D225 A226 E227 | E183-T223 HydrophobicContact CG-CG2 3.86Å; E183-T223 PolarHBondContact OE1-OG1 2.94Å; Y212-T223 WeakPolarHBondContact CE1-OG1 3.49Å; Y212-T223 VanDerWaalsContact OH-CG2 3.26Å; Y212-T223 WeakPolarHBondContact OH-CG2 3.46Å; Y212-T223 PolarHBondContact OH-OG1 3.05Å; D219-T223 PolarHBondContact O-N 2.79Å; I220-T223 PolarHBondContact O-N 3.17Å; T223-D225 PolarHBondContact O-N 3.31Å; T223-A226 PolarHBondContact O-N 3.25Å; T223-A226 VanDerWaalsContact O-N 3.14Å; T223-E227 HydrophobicContact CG2-CG 4.02Å; T223-E227 VanDerWaalsContact O-CB 3.3Å; T223-E227 WeakPolarHBondContact O-CB 3.32Å; T223-E227 WeakPolarHBondContact O-CG 3.31Å; T223-E227 PolarHBondContact O-N 3.25Å |
| 224 | I | 96.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 177.2 | -70.8 | 160.5 | 0 | 0 | 0 | 110.9 | F193 I220 L221 A226 A228 K233 Y236 V237 V240 | F193-I224 HydrophobicContact CD1-CG1 4.46Å; F193-I224 HydrophobicContact CE1-CG1 4.03Å; I220-I224 HydrophobicContact CG1-CD1 4.03Å; I220-I224 WeakPolarHBondContact O-CD1 3.2Å; I220-I224 VanDerWaalsContact O-CG1 3.27Å; I220-I224 WeakPolarHBondContact O-CG1 3.47Å; I220-I224 PolarHBondContact O-N 2.95Å; L221-I224 PolarHBondContact O-N 2.96Å; I224-A226 VanDerWaalsContact C-N 3.29Å; I224-A226 PolarHBondContact O-N 3.37Å; I224-A228 HydrophobicContact CG2-CB 4.35Å; I224-A228 PolarHBondContact O-N 3.07Å; I224-K233 HydrophobicContact CG2-CG 4.08Å; I224-Y236 HydrophobicContact CG2-CD2 4.4Å; I224-V237 HydrophobicContact CG2-CG2 3.87Å; I224-V240 HydrophobicContact CD1-CG2 3.68Å |
| 225 | D | 95.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 47 Ų | 47 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 178.6 | -162.9 | 72.5 | 0 | 0 | 0 | 112.5 | L221 D222 T223 K233 | L221-D225 WeakPolarHBondContact O-CB 3.36Å; L221-D225 PolarHBondContact O-N 2.93Å; D222-D225 WeakPolarHBondContact O-CB 3.32Å; D222-D225 PolarHBondContact O-N 3.47Å; T223-D225 PolarHBondContact O-N 3.31Å; D225-K233 PolarHBondContact O-NZ 3.35Å; D225-K233 WeakPolarHBondContact OD1-CE 3.36Å; D225-K233 IonicContact OD1-NZ 3.4Å; D225-K233 PolarHBondContact OD1-NZ 3.27Å; D225-K233 IonicContact OD2-NZ 3.98Å |
| 226 | A | 93.4 | Very high | 96.5 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 65% | 0.653 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -82.5 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D222 T223 I224 | D222-A226 PolarHBondContact O-N 2.9Å; D222-A226 VanDerWaalsContact O-N 3.16Å; T223-A226 PolarHBondContact O-N 3.25Å; T223-A226 VanDerWaalsContact O-N 3.14Å; I224-A226 VanDerWaalsContact C-N 3.29Å; I224-A226 PolarHBondContact O-N 3.37Å |
| 227 | E | 92.2 | Very high | 96.7 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -95.9 | -32.9 | -169.3 | -71.2 | -59.6 | 135.6 | 0 | 0 | 113.5 | T188 T223 | T188-E227 HydrophobicContact CG2-CB 4.24Å; T188-E227 WeakPolarHBondContact OG1-CB 3.29Å; T188-E227 PolarHBondContact OG1-O 2.9Å; T188-E227 PolarHBondContact OG1-OE2 3.16Å; T223-E227 HydrophobicContact CG2-CG 4.02Å; T223-E227 VanDerWaalsContact O-CB 3.3Å; T223-E227 WeakPolarHBondContact O-CB 3.32Å; T223-E227 WeakPolarHBondContact O-CG 3.31Å; T223-E227 PolarHBondContact O-N 3.25Å |
| 228 | A | 94.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | trans | -109.2 | 156.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I224 K233 Y236 | I224-A228 HydrophobicContact CG2-CB 4.35Å; I224-A228 PolarHBondContact O-N 3.07Å; A228-K233 HydrophobicContact CB-CB 3.81Å; A228-K233 HydrophobicContact CB-CG 4.46Å; A228-K233 WeakPolarHBondContact O-CD 3.46Å; A228-Y236 HydrophobicContact CB-CD2 4.11Å; A228-Y236 HydrophobicContact CB-CE2 4.42Å | ||
| 229 | T | 95.4 | Very high | 97 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 71% | 0.712 | 23% | 0.228 | S | C | * | . | trans | -138.9 | 165.7 | 174.2 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | K233 | T229-K233 PolarHBondContact O-N 3.34Š| ||
| 230 | G | 97.3 | Very high | 97 | Very high | 49 Ų | 49 | 36 Ų | 36 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | 56.2 | -146.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L232 K233 D234 | G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 2.67Å; G230-K233 VanDerWaalsContact O-CB 3.32Å; G230-K233 WeakPolarHBondContact O-CB 3.49Å; G230-K233 PolarHBondContact O-N 3.02Å; G230-K233 VanDerWaalsContact O-N 3.13Å; G230-D234 PolarHBondContact O-N 3.49Å; G230-D234 VanDerWaalsContact O-N 3.17Å |
| 231 | T | 98.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 17% | 0.166 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -32.2 | -174.7 | -55.1 | 0 | 0 | 0 | 0 | 113.5 | E106 V110 V148 K233 D234 C235 | E106-T231 HydrophobicContact CB-CG2 3.64Å; E106-T231 HydrophobicContact CG-CG2 4.33Å; E106-T231 WeakPolarHBondContact OE2-CB 3.31Å; E106-T231 WeakPolarHBondContact OE2-CG2 3.31Å; E106-T231 PolarHBondContact OE2-OG1 3.28Å; V110-T231 HydrophobicContact CG2-CG2 3.77Å; V148-T231 HydrophobicContact CG1-CG2 3.68Å; V148-T231 HydrophobicContact CG2-CG2 4.03Å; T231-K233 VanDerWaalsContact C-N 3.32Å; T231-K233 PolarHBondContact O-N 2.89Å; T231-D234 WeakPolarHBondContact O-CB 3.34Å; T231-D234 PolarHBondContact O-N 3Å; T231-D234 VanDerWaalsContact O-N 3.12Å; T231-C235 PolarHBondContact O-N 3.1Å; T231-C235 PolarHBondContact O-SG 3.34Å; T231-C235 VanDerWaalsContact O-SG 3.33Å |
| 232 | L | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.3 | -175.9 | 66 | 0 | 0 | 0 | 111.1 | D147 V148 L151 E190 G230 D234 C235 Y236 | D147-L232 HydrophobicContact CB-CD1 3.97Å; D147-L232 HydrophobicContact CB-CD2 3.81Å; D147-L232 HydrophobicContact CB-CG 4.49Å; V148-L232 HydrophobicContact CG2-CB 4Å; L151-L232 HydrophobicContact CD1-CD1 3.95Å; E190-L232 HydrophobicContact CB-CD2 4.23Å; E190-L232 HydrophobicContact CG-CD2 3.62Å; G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 2.67Å; L232-D234 VanDerWaalsContact C-N 3.31Å; L232-D234 PolarHBondContact O-N 3.26Å; L232-C235 WeakPolarHBondContact O-CB 3.48Å; L232-C235 PolarHBondContact O-N 3.08Å; L232-Y236 HydrophobicContact CD1-CE1 4.18Å; L232-Y236 HydrophobicContact CD1-CE2 4.04Å; L232-Y236 HydrophobicContact CD2-CE2 3.99Å; L232-Y236 HydrophobicContact CG-CD2 4.25Å; L232-Y236 HydrophobicContact CG-CE2 3.71Å; L232-Y236 PolarHBondContact O-N 3.5Å |
| 233 | K | 98.2 | Very high | 97.1 | Very high | 43 Ų | 43 | 33.7 Ų | 33.7 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 171.9 | 176.6 | -177.9 | -177.5 | 154 | 0 | 110.8 | I224 D225 A228 T229 G230 T231 C235 Y236 V237 | I224-K233 HydrophobicContact CG2-CG 4.08Å; D225-K233 PolarHBondContact O-NZ 3.35Å; D225-K233 WeakPolarHBondContact OD1-CE 3.36Å; D225-K233 IonicContact OD1-NZ 3.4Å; D225-K233 PolarHBondContact OD1-NZ 3.27Å; D225-K233 IonicContact OD2-NZ 3.98Å; A228-K233 HydrophobicContact CB-CB 3.81Å; A228-K233 HydrophobicContact CB-CG 4.46Å; A228-K233 WeakPolarHBondContact O-CD 3.46Å; T229-K233 PolarHBondContact O-N 3.34Å; G230-K233 VanDerWaalsContact O-CB 3.32Å; G230-K233 WeakPolarHBondContact O-CB 3.49Å; G230-K233 PolarHBondContact O-N 3.02Å; G230-K233 VanDerWaalsContact O-N 3.13Å; T231-K233 VanDerWaalsContact C-N 3.32Å; T231-K233 PolarHBondContact O-N 2.89Å; K233-C235 VanDerWaalsContact C-N 3.33Å; K233-C235 PolarHBondContact O-N 3.49Å; K233-Y236 PolarHBondContact O-N 3.31Å; K233-V237 HydrophobicContact CG-CG2 4.13Å; K233-V237 WeakPolarHBondContact O-CB 3.47Å; K233-V237 VanDerWaalsContact O-CG2 3.27Å; K233-V237 WeakPolarHBondContact O-CG2 3.5Å; K233-V237 PolarHBondContact O-N 2.93Å |
| 234 | D | 98.6 | Very high | 97.2 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 43% | 0.433 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 179.1 | -65.9 | -29.2 | 0 | 0 | 0 | 112.3 | V110 G230 T231 L232 T238 | V110-D234 HydrophobicContact CG1-CB 4.37Å; G230-D234 PolarHBondContact O-N 3.49Å; G230-D234 VanDerWaalsContact O-N 3.17Å; T231-D234 WeakPolarHBondContact O-CB 3.34Å; T231-D234 PolarHBondContact O-N 3Å; T231-D234 VanDerWaalsContact O-N 3.12Å; L232-D234 VanDerWaalsContact C-N 3.31Å; L232-D234 PolarHBondContact O-N 3.26Å; D234-T238 VanDerWaalsContact O-CB 3.23Å; D234-T238 WeakPolarHBondContact O-CB 3.35Å; D234-T238 PolarHBondContact O-N 3.09Å; D234-T238 PolarHBondContact O-OG1 2.8Å |
| 235 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -55.9 | 170.3 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | V110 L151 T231 L232 K233 V237 T238 L239 | V110-C235 VanDerWaalsContact CG2-SG 3.56Å; L151-C235 HydrophobicContact CD1-CB 3.55Å; L151-C235 HydrophobicContact CD2-CB 3.81Å; L151-C235 HydrophobicContact CG-CB 4.34Å; T231-C235 PolarHBondContact O-N 3.1Å; T231-C235 PolarHBondContact O-SG 3.34Å; T231-C235 VanDerWaalsContact O-SG 3.33Å; L232-C235 WeakPolarHBondContact O-CB 3.48Å; L232-C235 PolarHBondContact O-N 3.08Å; K233-C235 VanDerWaalsContact C-N 3.33Å; K233-C235 PolarHBondContact O-N 3.49Å; C235-V237 PolarHBondContact O-N 3.41Å; C235-T238 PolarHBondContact O-N 3.3Å; C235-L239 WeakPolarHBondContact O-CG 3.32Å; C235-L239 PolarHBondContact O-N 2.74Å |
| 236 | Y | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | -177.2 | -66.9 | -27.1 | 0 | 0 | 0 | 112.3 | L151 E190 F193 T194 L197 I224 A228 L232 K233 T238 L239 V240 | L151-Y236 HydrophobicContact CD1-CD1 3.69Å; L151-Y236 HydrophobicContact CD1-CE1 3.37Å; E190-Y236 PolarHBondContact O-OH 3.3Å; F193-Y236 HydrophobicContact CB-CE1 3.89Å; F193-Y236 HydrophobicContact CB-CE2 3.94Å; F193-Y236 HydrophobicContact CD1-CD2 4.5Å; F193-Y236 HydrophobicContact CD1-CE2 4.45Å; F193-Y236 HydrophobicContact CG-CE2 4.38Å; T194-Y236 PolarHBondContact OG1-OH 3.34Å; L197-Y236 HydrophobicContact CD1-CD1 3.38Å; L197-Y236 HydrophobicContact CD1-CE1 4Å; L197-Y236 HydrophobicContact CD1-CG 3.89Å; I224-Y236 HydrophobicContact CG2-CD2 4.4Å; A228-Y236 HydrophobicContact CB-CD2 4.11Å; A228-Y236 HydrophobicContact CB-CE2 4.42Å; L232-Y236 HydrophobicContact CD1-CE1 4.18Å; L232-Y236 HydrophobicContact CD1-CE2 4.04Å; L232-Y236 HydrophobicContact CD2-CE2 3.99Å; L232-Y236 HydrophobicContact CG-CD2 4.25Å; L232-Y236 HydrophobicContact CG-CE2 3.71Å; L232-Y236 PolarHBondContact O-N 3.5Å; K233-Y236 PolarHBondContact O-N 3.31Å; Y236-T238 VanDerWaalsContact C-N 3.29Å; Y236-T238 PolarHBondContact O-N 3.39Å; Y236-L239 PolarHBondContact O-N 3.36Å; Y236-V240 WeakPolarHBondContact O-CB 3.36Å; Y236-V240 VanDerWaalsContact O-CG2 3.28Å; Y236-V240 WeakPolarHBondContact O-CG2 3.11Å; Y236-V240 PolarHBondContact O-N 3.09Å |
| 237 | V | 98.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L221 I224 K233 C235 R241 | L221-V237 HydrophobicContact CD2-CB 4.49Å; L221-V237 HydrophobicContact CD2-CG1 4.37Å; L221-V237 HydrophobicContact CD2-CG2 4.26Å; I224-V237 HydrophobicContact CG2-CG2 3.87Å; K233-V237 HydrophobicContact CG-CG2 4.13Å; K233-V237 WeakPolarHBondContact O-CB 3.47Å; K233-V237 VanDerWaalsContact O-CG2 3.27Å; K233-V237 WeakPolarHBondContact O-CG2 3.5Å; K233-V237 PolarHBondContact O-N 2.93Å; C235-V237 PolarHBondContact O-N 3.41Å; V237-R241 HydrophobicContact CG1-CG 4.37Å; V237-R241 VanDerWaalsContact O-CB 3.26Å; V237-R241 WeakPolarHBondContact O-CB 3.5Å; V237-R241 WeakPolarHBondContact O-CG 3.45Å; V237-R241 PolarHBondContact O-N 3.21Å |
| 238 | T | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -50.1 | 177 | -63.5 | 0 | 0 | 0 | 0 | 111 | V110 C114 T115 D234 C235 Y236 V240 R241 C242 Y249 | V110-T238 HydrophobicContact CG1-CG2 4.4Å; V110-T238 WeakPolarHBondContact CG1-OG1 3.36Å; C114-T238 HydrophobicContact CB-CG2 3.5Å; C114-T238 VanDerWaalsContact CB-CG2 3.5Å; T115-T238 HydrophobicContact CG2-CG2 3.91Å; D234-T238 VanDerWaalsContact O-CB 3.23Å; D234-T238 WeakPolarHBondContact O-CB 3.35Å; D234-T238 PolarHBondContact O-N 3.09Å; D234-T238 PolarHBondContact O-OG1 2.8Å; C235-T238 PolarHBondContact O-N 3.3Å; Y236-T238 VanDerWaalsContact C-N 3.29Å; Y236-T238 PolarHBondContact O-N 3.39Å; T238-V240 PolarHBondContact O-N 3.3Å; T238-R241 PolarHBondContact O-N 3.26Å; T238-C242 WeakPolarHBondContact O-CB 3.38Å; T238-C242 PolarHBondContact O-N 2.96Å; T238-C242 PolarHBondContact O-SG 3.23Å; T238-C242 VanDerWaalsContact O-SG 3.37Å; T238-Y249 HydrophobicContact CG2-CD2 4.27Å; T238-Y249 HydrophobicContact CG2-CE1 4.24Å; T238-Y249 HydrophobicContact CG2-CE2 3.51Å; T238-Y249 VanDerWaalsContact CG2-CZ 3.49Å; T238-Y249 WeakPolarHBondContact CG2-OH 3.38Å; T238-Y249 WeakPolarHBondContact OG1-CE2 3.41Å; T238-Y249 PolarHBondContact OG1-OH 3.49Å |
| 239 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 179.2 | -69.5 | 171.7 | 0 | 0 | 0 | 112.2 | C114 L151 L155 L197 T198 C235 Y236 C242 A243 | C114-L239 HydrophobicContact CB-CD2 3.89Å; C114-L239 HydrophobicContact CB-CG 4.11Å; L151-L239 HydrophobicContact CD1-CD1 4.35Å; L151-L239 HydrophobicContact CD2-CD1 4.37Å; L155-L239 HydrophobicContact CD2-CD2 4.24Å; L197-L239 HydrophobicContact CB-CB 4.35Å; L197-L239 HydrophobicContact CB-CD1 3.86Å; T198-L239 HydrophobicContact CG2-CD1 4.28Å; C235-L239 WeakPolarHBondContact O-CG 3.32Å; C235-L239 PolarHBondContact O-N 2.74Å; Y236-L239 PolarHBondContact O-N 3.36Å; L239-C242 PolarHBondContact O-N 3.45Å; L239-A243 WeakPolarHBondContact O-CB 3.11Å; L239-A243 PolarHBondContact O-N 3.22Å |
| 240 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L197 F209 I220 L221 I224 Y236 T238 A243 K244 | L197-V240 HydrophobicContact CD2-CG2 3.91Å; F209-V240 HydrophobicContact CD2-CG1 4.25Å; F209-V240 HydrophobicContact CE1-CG2 4.21Å; F209-V240 HydrophobicContact CE2-CB 4.23Å; F209-V240 HydrophobicContact CE2-CG1 3.84Å; F209-V240 HydrophobicContact CE2-CG2 4.15Å; F209-V240 HydrophobicContact CZ-CB 4.26Å; F209-V240 HydrophobicContact CZ-CG1 4.23Å; F209-V240 HydrophobicContact CZ-CG2 3.7Å; I220-V240 HydrophobicContact CG2-CG1 3.82Å; I220-V240 HydrophobicContact CG2-CG2 4.46Å; L221-V240 HydrophobicContact CD1-CG1 4.42Å; L221-V240 HydrophobicContact CD2-CB 3.81Å; L221-V240 HydrophobicContact CD2-CG1 3.53Å; L221-V240 HydrophobicContact CD2-CG2 4.47Å; L221-V240 HydrophobicContact CG-CG1 3.81Å; I224-V240 HydrophobicContact CD1-CG2 3.68Å; Y236-V240 WeakPolarHBondContact O-CB 3.36Å; Y236-V240 VanDerWaalsContact O-CG2 3.28Å; Y236-V240 WeakPolarHBondContact O-CG2 3.11Å; Y236-V240 PolarHBondContact O-N 3.09Å; T238-V240 PolarHBondContact O-N 3.3Å; V240-A243 PolarHBondContact O-N 3.24Å; V240-K244 HydrophobicContact CG1-CD 4.3Å; V240-K244 WeakPolarHBondContact O-CG 3.47Å; V240-K244 PolarHBondContact O-N 3.46Å |
| 241 | R | 98.4 | Very high | 98 | Very high | 91 Ų | 91 | 25.1 Ų | 25.1 | 34% | 0.343 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 179.7 | -77.2 | 176.2 | 177.8 | 165.4 | 4.5 | 111.8 | V237 T238 K244 N245 Y249 | V237-R241 HydrophobicContact CG1-CG 4.37Å; V237-R241 VanDerWaalsContact O-CB 3.26Å; V237-R241 WeakPolarHBondContact O-CB 3.5Å; V237-R241 WeakPolarHBondContact O-CG 3.45Å; V237-R241 PolarHBondContact O-N 3.21Å; T238-R241 PolarHBondContact O-N 3.26Å; R241-K244 PolarHBondContact O-N 3.05Å; R241-N245 CarbonylContact O-C 3.1Å; R241-N245 PolarHBondContact O-N 3.17Å; R241-Y249 HydrophobicContact CB-CD2 4.02Å |
| 242 | C | 97.8 | Very high | 98 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.5 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | T238 L239 K244 N245 P246 | T238-C242 WeakPolarHBondContact O-CB 3.38Å; T238-C242 PolarHBondContact O-N 2.96Å; T238-C242 PolarHBondContact O-SG 3.23Å; T238-C242 VanDerWaalsContact O-SG 3.37Å; L239-C242 PolarHBondContact O-N 3.45Å; C242-K244 VanDerWaalsContact C-N 3.26Å; C242-K244 PolarHBondContact O-N 3.47Å; C242-N245 PolarHBondContact O-N 3.42Å; C242-P246 WeakPolarHBondContact O-CD 3.25Å; C242-P246 VanDerWaalsContact O-CG 3.23Å; C242-P246 WeakPolarHBondContact O-CG 3.43Å |
| 243 | A | 97.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -38.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y202 L205 Q206 F209 L239 V240 | Y202-A243 HydrophobicContact CD1-CB 4.05Å; Y202-A243 HydrophobicContact CG-CB 4.41Å; L205-A243 HydrophobicContact CB-CB 3.86Å; L205-A243 HydrophobicContact CD1-CB 3.78Å; L205-A243 HydrophobicContact CG-CB 4.49Å; Q206-A243 WeakPolarHBondContact CG-O 3.43Å; Q206-A243 PolarHBondContact NE2-O 2.88Å; F209-A243 HydrophobicContact CE2-CB 3.98Å; L239-A243 WeakPolarHBondContact O-CB 3.11Å; L239-A243 PolarHBondContact O-N 3.22Å; V240-A243 PolarHBondContact O-N 3.24Å |
| 244 | K | 96.8 | Very high | 98.1 | Very high | 83 Ų | 83 | 26.9 Ų | 26.9 | 36% | 0.361 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -71.8 | -52.4 | 176.1 | -71.4 | -177.6 | 177.2 | -175.4 | 0 | 112.4 | Q206 F209 D219 V240 R241 C242 | Q206-K244 PolarHBondContact NE2-O 2.87Å; F209-K244 HydrophobicContact CD2-CG 4.5Å; D219-K244 IonicContact OD1-NZ 2.76Å; D219-K244 PolarHBondContact OD1-NZ 2.95Å; D219-K244 IonicContact OD2-NZ 3.79Å; D219-K244 PolarHBondContact OD2-NZ 3.31Å; V240-K244 HydrophobicContact CG1-CD 4.3Å; V240-K244 WeakPolarHBondContact O-CG 3.47Å; V240-K244 PolarHBondContact O-N 3.46Å; R241-K244 PolarHBondContact O-N 3.05Å; C242-K244 VanDerWaalsContact C-N 3.26Å; C242-K244 PolarHBondContact O-N 3.47Å |
| 245 | N | 96.4 | Very high | 98.1 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 25% | 0.251 | 11% | 0.112 | S | C | . | . | trans | -164.8 | 103.7 | 179.2 | -176.7 | -32.6 | 0 | 0 | 0 | 110.4 | R241 C242 Q247 L248 Y249 M286 | R241-N245 CarbonylContact O-C 3.1Å; R241-N245 PolarHBondContact O-N 3.17Å; C242-N245 PolarHBondContact O-N 3.42Å; N245-Q247 PolarHBondContact O-N 3.06Å; N245-Q247 PolarHBondContact OD1-N 3.34Å; N245-Q247 VanDerWaalsContact OD1-N 3.11Å; N245-Q247 PolarHBondContact OD1-OE1 2.94Å; N245-L248 HydrophobicContact CB-CB 3.91Å; N245-L248 VanDerWaalsContact CG-CB 3.48Å; N245-L248 PolarHBondContact O-N 2.71Å; N245-L248 WeakPolarHBondContact OD1-CB 3.45Å; N245-L248 PolarHBondContact OD1-N 3.25Å; N245-Y249 PolarHBondContact O-N 3.47Å; N245-Y249 VanDerWaalsContact O-N 3.17Å; N245-M286 PolarHBondContact ND2-SD 3.25Å | ||
| 246 | P | 95.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | -179.8 | -21.4 | 31.7 | 0 | 0 | 0 | 113.6 | Y202 C242 L248 Y249 F250 | Y202-P246 HydrophobicContact CE2-CG 4.11Å; C242-P246 WeakPolarHBondContact O-CD 3.25Å; C242-P246 VanDerWaalsContact O-CG 3.23Å; C242-P246 WeakPolarHBondContact O-CG 3.43Å; P246-L248 VanDerWaalsContact C-N 3.33Å; P246-L248 PolarHBondContact O-N 3.06Å; P246-Y249 WeakPolarHBondContact O-CA 3.44Å; P246-Y249 VanDerWaalsContact O-CB 3.29Å; P246-Y249 WeakPolarHBondContact O-CB 3.48Å; P246-Y249 PolarHBondContact O-N 3.19Å; P246-F250 VanDerWaalsContact O-CD2 3.3Å; P246-F250 WeakPolarHBondContact O-CD2 3.45Å; P246-F250 PolarHBondContact O-N 3.46Å; P246-F250 VanDerWaalsContact O-N 3.13Å |
| 247 | Q | 97.4 | Very high | 98 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | -177.2 | -67.7 | 71.9 | 32.9 | 0 | 0 | 111.2 | N245 Y249 F250 A251 D279 T282 V283 M286 | N245-Q247 PolarHBondContact O-N 3.06Å; N245-Q247 PolarHBondContact OD1-N 3.34Å; N245-Q247 VanDerWaalsContact OD1-N 3.11Å; N245-Q247 PolarHBondContact OD1-OE1 2.94Å; Q247-Y249 VanDerWaalsContact C-N 3.28Å; Q247-Y249 PolarHBondContact O-N 2.89Å; Q247-F250 PolarHBondContact O-N 3.01Å; Q247-A251 WeakPolarHBondContact O-CB 3.39Å; Q247-A251 PolarHBondContact O-N 3.35Å; Q247-D279 HydrophobicContact CG-CB 4.31Å; Q247-D279 VanDerWaalsContact CG-OD2 3.31Å; Q247-D279 WeakPolarHBondContact CG-OD2 3.41Å; Q247-D279 PolarHBondContact NE2-OD2 3.31Å; Q247-T282 HydrophobicContact CB-CG2 4.24Å; Q247-T282 HydrophobicContact CG-CG2 3.75Å; Q247-V283 HydrophobicContact CB-CG2 4.05Å; Q247-V283 HydrophobicContact CG-CG2 4.17Å; Q247-M286 HydrophobicContact CB-CB 4.48Å; Q247-M286 HydrophobicContact CB-CG 3.71Å |
| 248 | L | 98 | Very high | 98 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 18% | 0.178 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.7 | -23.5 | 175 | -164.8 | 69 | 0 | 0 | 0 | 112.5 | N245 P246 R252 M286 K290 | N245-L248 HydrophobicContact CB-CB 3.91Å; N245-L248 VanDerWaalsContact CG-CB 3.48Å; N245-L248 PolarHBondContact O-N 2.71Å; N245-L248 WeakPolarHBondContact OD1-CB 3.45Å; N245-L248 PolarHBondContact OD1-N 3.25Å; P246-L248 VanDerWaalsContact C-N 3.33Å; P246-L248 PolarHBondContact O-N 3.06Å; L248-R252 VanDerWaalsContact CD2-NH1 3.31Å; L248-R252 VanDerWaalsContact O-CG 3.3Å; L248-R252 WeakPolarHBondContact O-CG 3.44Å; L248-R252 PolarHBondContact O-N 3.19Å; L248-R252 PolarHBondContact O-NH1 2.65Å; L248-M286 HydrophobicContact CB-CB 4.48Å; L248-M286 HydrophobicContact CD1-CB 3.96Å; L248-M286 HydrophobicContact CD1-SD 4.42Å; L248-K290 HydrophobicContact CD1-CB 4.01Å; L248-K290 HydrophobicContact CD1-CD 3.78Å; L248-K290 HydrophobicContact CD1-CG 4.4Å; L248-K290 HydrophobicContact CG-CD 4.36Å |
| 249 | Y | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.1 | -51.1 | 168.5 | 167.2 | -91.8 | 0 | 0 | 0 | 110.5 | T115 T238 R241 N245 P246 Q247 A251 R252 R253 | T115-Y249 HydrophobicContact CG2-CD1 4.07Å; T115-Y249 HydrophobicContact CG2-CE1 3.6Å; T238-Y249 HydrophobicContact CG2-CD2 4.27Å; T238-Y249 HydrophobicContact CG2-CE1 4.24Å; T238-Y249 HydrophobicContact CG2-CE2 3.51Å; T238-Y249 VanDerWaalsContact CG2-CZ 3.49Å; T238-Y249 WeakPolarHBondContact CG2-OH 3.38Å; T238-Y249 WeakPolarHBondContact OG1-CE2 3.41Å; T238-Y249 PolarHBondContact OG1-OH 3.49Å; R241-Y249 HydrophobicContact CB-CD2 4.02Å; N245-Y249 PolarHBondContact O-N 3.47Å; N245-Y249 VanDerWaalsContact O-N 3.17Å; P246-Y249 WeakPolarHBondContact O-CA 3.44Å; P246-Y249 VanDerWaalsContact O-CB 3.29Å; P246-Y249 WeakPolarHBondContact O-CB 3.48Å; P246-Y249 PolarHBondContact O-N 3.19Å; Q247-Y249 VanDerWaalsContact C-N 3.28Å; Q247-Y249 PolarHBondContact O-N 2.89Å; Y249-A251 VanDerWaalsContact C-N 3.35Å; Y249-A251 PolarHBondContact O-N 3Å; Y249-R252 WeakPolarHBondContact O-CB 3.37Å; Y249-R252 PolarHBondContact O-N 2.87Å; Y249-R252 VanDerWaalsContact O-N 3.1Å; Y249-R253 HydrophobicContact CD1-CG 4.25Å; Y249-R253 HydrophobicContact CE1-CG 3.7Å; Y249-R253 HydrophobicContact CE2-CG 4.08Å; Y249-R253 PolarHBondContact O-N 3.1Å |
| 250 | F | 98.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 178.7 | -70.3 | -63.7 | 0 | 0 | 0 | 112.3 | T115 P246 Q247 R252 R253 L254 I271 R275 V283 | T115-F250 HydrophobicContact CG2-CE1 4.4Å; T115-F250 HydrophobicContact CG2-CZ 4.01Å; P246-F250 VanDerWaalsContact O-CD2 3.3Å; P246-F250 WeakPolarHBondContact O-CD2 3.45Å; P246-F250 PolarHBondContact O-N 3.46Å; P246-F250 VanDerWaalsContact O-N 3.13Å; Q247-F250 PolarHBondContact O-N 3.01Å; F250-R252 VanDerWaalsContact C-N 3.29Å; F250-R252 PolarHBondContact O-N 2.58Å; F250-R253 PolarHBondContact O-N 3.4Å; F250-R253 VanDerWaalsContact O-N 3.13Å; F250-L254 WeakPolarHBondContact O-CG 3.1Å; F250-L254 PolarHBondContact O-N 3.3Å; F250-I271 HydrophobicContact CB-CG2 4.12Å; F250-I271 HydrophobicContact CD1-CD1 4.24Å; F250-I271 HydrophobicContact CD1-CG1 4.15Å; F250-I271 HydrophobicContact CD1-CG2 3.98Å; F250-I271 HydrophobicContact CG-CG2 4.35Å; F250-R275 HydrophobicContact CG-CG 4.5Å; F250-V283 HydrophobicContact CB-CG1 4.14Å; F250-V283 HydrophobicContact CB-CG2 4.08Å |
| 251 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q247 Y249 N255 V283 M286 Y287 | Q247-A251 WeakPolarHBondContact O-CB 3.39Å; Q247-A251 PolarHBondContact O-N 3.35Å; Y249-A251 VanDerWaalsContact C-N 3.35Å; Y249-A251 PolarHBondContact O-N 3Å; A251-N255 PolarHBondContact O-N 3.24Å; A251-V283 HydrophobicContact CB-CG1 4.33Å; A251-M286 HydrophobicContact CB-CB 4.18Å; A251-Y287 HydrophobicContact CB-CD2 4.19Å; A251-Y287 WeakPolarHBondContact O-CD2 3.4Å |
| 252 | R | 98.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 174.3 | -76.3 | 177.9 | -177.1 | 99.4 | -2.6 | 112.6 | L248 Y249 F250 N255 A256 K290 Y291 | L248-R252 VanDerWaalsContact CD2-NH1 3.31Å; L248-R252 VanDerWaalsContact O-CG 3.3Å; L248-R252 WeakPolarHBondContact O-CG 3.44Å; L248-R252 PolarHBondContact O-N 3.19Å; L248-R252 PolarHBondContact O-NH1 2.65Å; Y249-R252 WeakPolarHBondContact O-CB 3.37Å; Y249-R252 PolarHBondContact O-N 2.87Å; Y249-R252 VanDerWaalsContact O-N 3.1Å; F250-R252 VanDerWaalsContact C-N 3.29Å; F250-R252 PolarHBondContact O-N 2.58Å; R252-N255 PolarHBondContact O-N 2.97Å; R252-A256 WeakPolarHBondContact O-CB 3.47Å; R252-A256 PolarHBondContact O-N 2.9Å; R252-K290 HydrophobicContact CG-CD 3.8Å; R252-K290 VanDerWaalsContact CG-CE 3.49Å; R252-Y291 WeakPolarHBondContact CA-OH 3.48Å |
| 253 | R | 98.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.6 | -73 | -72.8 | -61.4 | 148.7 | 5.3 | 111.5 | E111 Y249 F250 N255 A256 A257 T267 I271 | E111-R253 IonicContact OE2-CZ 3.96Å; E111-R253 IonicContact OE2-NE 3.15Å; E111-R253 PolarHBondContact OE2-NE 2.81Å; E111-R253 IonicContact OE2-NH2 2.75Å; E111-R253 PolarHBondContact OE2-NH2 3.06Å; Y249-R253 HydrophobicContact CD1-CG 4.25Å; Y249-R253 HydrophobicContact CE1-CG 3.7Å; Y249-R253 HydrophobicContact CE2-CG 4.08Å; Y249-R253 PolarHBondContact O-N 3.1Å; F250-R253 PolarHBondContact O-N 3.4Å; F250-R253 VanDerWaalsContact O-N 3.13Å; R253-N255 VanDerWaalsContact C-N 3.35Å; R253-N255 PolarHBondContact O-N 3.03Å; R253-A256 PolarHBondContact O-N 3.26Å; R253-A257 WeakPolarHBondContact O-CB 3.47Å; R253-A257 PolarHBondContact O-N 2.88Å; R253-T267 PolarHBondContact NH2-OG1 3.4Å; R253-I271 HydrophobicContact CB-CD1 3.42Å; R253-I271 VanDerWaalsContact CB-CD1 3.42Å; R253-I271 HydrophobicContact CG-CD1 4.35Å |
| 254 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175 | -71.5 | 169.2 | 0 | 0 | 0 | 111.8 | F250 A257 M258 L268 I271 I272 V283 Y287 L295 | F250-L254 WeakPolarHBondContact O-CG 3.1Å; F250-L254 PolarHBondContact O-N 3.3Å; L254-A257 PolarHBondContact O-N 3.37Å; L254-M258 HydrophobicContact CB-CE 4.29Å; L254-M258 WeakPolarHBondContact O-CE 3.42Å; L254-M258 PolarHBondContact O-N 3.28Å; L254-L268 HydrophobicContact CD2-CD2 3.65Å; L254-I271 HydrophobicContact CD1-CG2 3.98Å; L254-I271 HydrophobicContact CD2-CB 3.86Å; L254-I271 HydrophobicContact CD2-CD1 4.28Å; L254-I271 HydrophobicContact CD2-CG2 3.77Å; L254-I271 HydrophobicContact CG-CB 4.36Å; L254-I271 HydrophobicContact CG-CD1 4.3Å; L254-I271 HydrophobicContact CG-CG2 3.8Å; L254-I272 HydrophobicContact CD2-CD1 4.33Å; L254-I272 HydrophobicContact CD2-CG1 3.98Å; L254-V283 HydrophobicContact CD1-CG1 3.74Å; L254-Y287 HydrophobicContact CB-CD2 4.26Å; L254-Y287 HydrophobicContact CB-CE2 4.06Å; L254-L295 HydrophobicContact CB-CD1 4.21Å; L254-L295 HydrophobicContact CD1-CD1 3.99Å; L254-L295 HydrophobicContact CD1-CD2 3.75Å |
| 255 | N | 98.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.6 | -177.7 | -101.6 | 0 | 0 | 0 | 111.8 | A251 R252 R253 A257 M258 K259 Y287 Y291 | A251-N255 PolarHBondContact O-N 3.24Å; R252-N255 PolarHBondContact O-N 2.97Å; R253-N255 VanDerWaalsContact C-N 3.35Å; R253-N255 PolarHBondContact O-N 3.03Å; N255-A257 VanDerWaalsContact C-N 3.33Å; N255-A257 PolarHBondContact O-N 2.85Å; N255-M258 PolarHBondContact O-N 2.74Å; N255-K259 VanDerWaalsContact O-CB 3.25Å; N255-K259 WeakPolarHBondContact O-CB 3.43Å; N255-K259 PolarHBondContact O-N 3.38Å; N255-Y287 HydrophobicContact CB-CE2 3.72Å; N255-Y287 PolarHBondContact ND2-OH 3.2Å; N255-Y287 VanDerWaalsContact ND2-OH 3.1Å; N255-Y291 HydrophobicContact CB-CD2 4.07Å; N255-Y291 HydrophobicContact CB-CE1 3.93Å; N255-Y291 HydrophobicContact CB-CE2 3.42Å; N255-Y291 VanDerWaalsContact CB-CE2 3.42Å; N255-Y291 WeakPolarHBondContact CB-OH 3.45Å; N255-Y291 VanDerWaalsContact OD1-CE1 3.29Å; N255-Y291 WeakPolarHBondContact OD1-CE1 3.48Å |
| 256 | A | 98.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R252 R253 M258 K259 | R252-A256 WeakPolarHBondContact O-CB 3.47Å; R252-A256 PolarHBondContact O-N 2.9Å; R253-A256 PolarHBondContact O-N 3.26Å; A256-M258 PolarHBondContact O-N 2.89Å; A256-K259 PolarHBondContact O-N 3.3Å |
| 257 | A | 98.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -27.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R253 L254 N255 T263 D264 T267 L268 | R253-A257 WeakPolarHBondContact O-CB 3.47Å; R253-A257 PolarHBondContact O-N 2.88Å; L254-A257 PolarHBondContact O-N 3.37Å; N255-A257 VanDerWaalsContact C-N 3.33Å; N255-A257 PolarHBondContact O-N 2.85Å; A257-T263 WeakPolarHBondContact O-CA 3.41Å; A257-D264 HydrophobicContact CB-CB 3.98Å; A257-D264 PolarHBondContact O-N 3.06Å; A257-T267 HydrophobicContact CB-CG2 3.86Å; A257-L268 HydrophobicContact CB-CD2 3.83Å; A257-L268 HydrophobicContact CB-CG 4.16Å |
| 258 | M | 97.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -95.2 | -8.6 | 178.4 | -80.8 | -176 | -69.1 | 0 | 0 | 113.9 | L254 N255 A256 T263 L268 Y287 L295 A298 L299 E302 | L254-M258 HydrophobicContact CB-CE 4.29Å; L254-M258 WeakPolarHBondContact O-CE 3.42Å; L254-M258 PolarHBondContact O-N 3.28Å; N255-M258 PolarHBondContact O-N 2.74Å; A256-M258 PolarHBondContact O-N 2.89Å; M258-T263 HydrophobicContact CG-CG2 4.42Å; M258-L268 HydrophobicContact CE-CD2 4.5Å; M258-L268 HydrophobicContact CG-CD1 4.11Å; M258-L268 HydrophobicContact CG-CD2 4.07Å; M258-Y287 HydrophobicContact CE-CE2 3.87Å; M258-Y287 WeakPolarHBondContact CE-OH 3.37Å; M258-L295 HydrophobicContact CE-CD1 3.68Å; M258-A298 HydrophobicContact CE-CB 3.86Å; M258-A298 HydrophobicContact SD-CB 3.8Å; M258-L299 HydrophobicContact SD-CD2 3.77Å; M258-L299 HydrophobicContact SD-CG 4.08Å; M258-E302 HydrophobicContact CB-CB 4.32Å; M258-E302 HydrophobicContact CB-CG 3.94Å; M258-E302 HydrophobicContact CG-CB 4.02Å; M258-E302 HydrophobicContact CG-CG 4.12Å; M258-E302 HydrophobicContact SD-CB 4.4Å; M258-E302 HydrophobicContact SD-CG 4.42Å |
| 259 | K | 92.9 | Very high | 96.6 | Very high | 168 Ų | 168 | 45.5 Ų | 45.5 | 73% | 0.73 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -93.3 | 121.3 | -171.7 | -175.8 | -178.2 | -178.7 | -178.2 | 0 | 111.2 | N255 A256 | N255-K259 VanDerWaalsContact O-CB 3.25Å; N255-K259 WeakPolarHBondContact O-CB 3.43Å; N255-K259 PolarHBondContact O-N 3.38Å; A256-K259 PolarHBondContact O-N 3.3Å |
| 260 | G | 88.9 | Confident | 96.7 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 124.4 | -150.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 261 | L | 85.9 | Confident | 96.7 | Very high | 189 Ų | 189 | 45 Ų | 45 | 99% | 0.99 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -90.9 | 111.6 | 172.3 | -68.2 | 178.3 | 0 | 0 | 0 | 108.8 | ||
| 262 | G | 91.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 45 Ų | 45 | 57% | 0.567 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 90 | 175.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 263 | T | 96.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | trans | -129.8 | 131.8 | -172.8 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | A257 M258 E265 L268 E302 | A257-T263 WeakPolarHBondContact O-CA 3.41Å; M258-T263 HydrophobicContact CG-CG2 4.42Å; T263-E265 VanDerWaalsContact C-N 3.26Å; T263-E265 HydrophobicContact CG2-CG 4.12Å; T263-E265 PolarHBondContact O-N 3.02Å; T263-L268 HydrophobicContact CG2-CD1 3.38Å; T263-L268 HydrophobicContact CG2-CG 4.28Å; T263-E302 PolarHBondContact OG1-O 3.45Å | ||
| 264 | D | 97.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | trans | -79.7 | 79.6 | 170.4 | 179.2 | -1.8 | 0 | 0 | 0 | 108.9 | A257 D266 T267 L268 | A257-D264 HydrophobicContact CB-CB 3.98Å; A257-D264 PolarHBondContact O-N 3.06Å; D264-D266 VanDerWaalsContact C-N 3.25Å; D264-D266 PolarHBondContact O-N 2.71Å; D264-D266 PolarHBondContact OD1-N 3.5Å; D264-T267 VanDerWaalsContact CG-OG1 3.28Å; D264-T267 PolarHBondContact O-N 2.94Å; D264-T267 PolarHBondContact OD1-N 3.49Å; D264-T267 PolarHBondContact OD1-OG1 2.86Å; D264-T267 VanDerWaalsContact OD2-CB 3.27Å; D264-T267 WeakPolarHBondContact OD2-CB 3.49Å; D264-T267 PolarHBondContact OD2-OG1 2.93Å; D264-L268 PolarHBondContact O-N 3.13Å; D264-L268 VanDerWaalsContact O-N 3.1Å | ||
| 265 | E | 98.1 | Very high | 96.6 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -30.5 | -175.5 | -60.9 | -178.3 | 140.5 | 0 | 0 | 112.1 | S75 T263 L268 I269 F307 | S75-E265 WeakPolarHBondContact CB-OE2 3.49Å; S75-E265 PolarHBondContact OG-OE2 3.06Å; T263-E265 VanDerWaalsContact C-N 3.26Å; T263-E265 HydrophobicContact CG2-CG 4.12Å; T263-E265 PolarHBondContact O-N 3.02Å; E265-L268 PolarHBondContact O-N 3.31Å; E265-I269 WeakPolarHBondContact O-CD1 3.45Å; E265-I269 WeakPolarHBondContact O-CG1 3.34Å; E265-I269 PolarHBondContact O-N 3.45Å; E265-F307 HydrophobicContact CB-CE1 3.86Å; E265-F307 HydrophobicContact CB-CZ 3.75Å; E265-F307 HydrophobicContact CG-CD1 4.46Å; E265-F307 HydrophobicContact CG-CE1 3.61Å; E265-F307 HydrophobicContact CG-CZ 4.06Å |
| 266 | D | 98.1 | Very high | 96.6 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 175.9 | -81.4 | -14.6 | 0 | 0 | 0 | 111.4 | K97 D264 I269 R270 | K97-D266 IonicContact NZ-OD1 3.85Å; K97-D266 PolarHBondContact NZ-OD1 2.85Å; K97-D266 IonicContact NZ-OD2 3.97Å; K97-D266 PolarHBondContact NZ-OD2 3.13Å; D264-D266 VanDerWaalsContact C-N 3.25Å; D264-D266 PolarHBondContact O-N 2.71Å; D264-D266 PolarHBondContact OD1-N 3.5Å; D266-I269 PolarHBondContact O-N 2.92Å; D266-R270 WeakPolarHBondContact O-CB 3.38Å; D266-R270 PolarHBondContact O-N 3.22Å; D266-R270 PolarHBondContact O-NH1 2.93Å |
| 267 | T | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 173.6 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | R253 A257 D264 R270 I271 | R253-T267 PolarHBondContact NH2-OG1 3.4Å; A257-T267 HydrophobicContact CB-CG2 3.86Å; D264-T267 VanDerWaalsContact CG-OG1 3.28Å; D264-T267 PolarHBondContact O-N 2.94Å; D264-T267 PolarHBondContact OD1-N 3.49Å; D264-T267 PolarHBondContact OD1-OG1 2.86Å; D264-T267 VanDerWaalsContact OD2-CB 3.27Å; D264-T267 WeakPolarHBondContact OD2-CB 3.49Å; D264-T267 PolarHBondContact OD2-OG1 2.93Å; T267-R270 PolarHBondContact O-N 3.42Å; T267-R270 PolarHBondContact OG1-NH2 3.15Å; T267-I271 HydrophobicContact CG2-CD1 3.61Å; T267-I271 HydrophobicContact CG2-CG1 4.31Å; T267-I271 WeakPolarHBondContact O-CG1 3.28Å; T267-I271 PolarHBondContact O-N 3.26Å |
| 268 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | 174.7 | -68 | -173.8 | 0 | 0 | 0 | 111.7 | L254 A257 M258 T263 D264 E265 I272 L299 L311 | L254-L268 HydrophobicContact CD2-CD2 3.65Å; A257-L268 HydrophobicContact CB-CD2 3.83Å; A257-L268 HydrophobicContact CB-CG 4.16Å; M258-L268 HydrophobicContact CE-CD2 4.5Å; M258-L268 HydrophobicContact CG-CD1 4.11Å; M258-L268 HydrophobicContact CG-CD2 4.07Å; T263-L268 HydrophobicContact CG2-CD1 3.38Å; T263-L268 HydrophobicContact CG2-CG 4.28Å; D264-L268 PolarHBondContact O-N 3.13Å; D264-L268 VanDerWaalsContact O-N 3.1Å; E265-L268 PolarHBondContact O-N 3.31Å; L268-I272 HydrophobicContact CB-CD1 4.48Å; L268-I272 VanDerWaalsContact O-CB 3.22Å; L268-I272 WeakPolarHBondContact O-CB 3.4Å; L268-I272 WeakPolarHBondContact O-CG1 3.3Å; L268-I272 PolarHBondContact O-N 3.5Å; L268-L299 HydrophobicContact CD1-CD2 3.84Å; L268-L299 HydrophobicContact CD2-CD2 4.33Å; L268-L311 HydrophobicContact CB-CD1 4.16Å; L268-L311 HydrophobicContact CD1-CD1 4.25Å |
| 269 | I | 98.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -52.8 | 177.6 | -69.8 | 164.3 | 0 | 0 | 0 | 110 | N78 A79 A82 F90 E265 D266 I271 I272 V273 F307 | N78-I269 HydrophobicContact CB-CD1 3.82Å; A79-I269 HydrophobicContact CB-CD1 4.04Å; A79-I269 HydrophobicContact CB-CG1 3.85Å; A79-I269 HydrophobicContact CB-CG2 4.48Å; A82-I269 HydrophobicContact CB-CG2 3.74Å; F90-I269 HydrophobicContact CZ-CG2 4.44Å; E265-I269 WeakPolarHBondContact O-CD1 3.45Å; E265-I269 WeakPolarHBondContact O-CG1 3.34Å; E265-I269 PolarHBondContact O-N 3.45Å; D266-I269 PolarHBondContact O-N 2.92Å; I269-I271 VanDerWaalsContact C-N 3.33Å; I269-I271 PolarHBondContact O-N 3.1Å; I269-I272 PolarHBondContact O-N 3.24Å; I269-V273 HydrophobicContact CG2-CG2 4.21Å; I269-V273 VanDerWaalsContact O-CB 3.23Å; I269-V273 WeakPolarHBondContact O-CB 3.41Å; I269-V273 WeakPolarHBondContact O-CG2 3.27Å; I269-V273 PolarHBondContact O-N 2.74Å; I269-F307 HydrophobicContact CD1-CE2 3.79Å; I269-F307 HydrophobicContact CD1-CZ 4.27Å; I269-F307 HydrophobicContact CG1-CE2 3.59Å; I269-F307 HydrophobicContact CG1-CZ 4.01Å |
| 270 | R | 98.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | -174.5 | -172.7 | 173.3 | 56.8 | -93.5 | -11.8 | 112.9 | F90 F91 E94 E111 D266 T267 G274 | F90-R270 HydrophobicContact CE1-CB 4.3Å; F90-R270 HydrophobicContact CE1-CG 3.95Å; F90-R270 HydrophobicContact CZ-CB 4.05Å; F90-R270 HydrophobicContact CZ-CG 4.06Å; F91-R270 HydrophobicContact CD1-CG 4.44Å; F91-R270 HydrophobicContact CE1-CG 3.88Å; E94-R270 HydrophobicContact CG-CG 4.44Å; E94-R270 IonicContact OE2-NH1 3.23Å; E94-R270 PolarHBondContact OE2-NH1 2.98Å; E94-R270 VanDerWaalsContact OE2-NH1 3.16Å; E111-R270 VanDerWaalsContact CD-NH2 3.29Å; E111-R270 IonicContact OE1-CZ 3.01Å; E111-R270 VanDerWaalsContact OE1-CZ 3.3Å; E111-R270 IonicContact OE1-NE 2.87Å; E111-R270 PolarHBondContact OE1-NE 3.43Å; E111-R270 IonicContact OE1-NH2 2.71Å; E111-R270 PolarHBondContact OE1-NH2 3.13Å; E111-R270 IonicContact OE2-CZ 3.3Å; E111-R270 IonicContact OE2-NE 3.08Å; E111-R270 IonicContact OE2-NH2 2.73Å; E111-R270 PolarHBondContact OE2-NH2 3.37Å; D266-R270 WeakPolarHBondContact O-CB 3.38Å; D266-R270 PolarHBondContact O-N 3.22Å; D266-R270 PolarHBondContact O-NH1 2.93Å; T267-R270 PolarHBondContact O-N 3.42Å; T267-R270 PolarHBondContact OG1-NH2 3.15Å; R270-G274 VanDerWaalsContact O-CA 3.26Å; R270-G274 WeakPolarHBondContact O-CA 3.26Å; R270-G274 PolarHBondContact O-N 2.76Å |
| 271 | I | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.7 | -48.7 | 178.7 | -62.2 | 173.8 | 0 | 0 | 0 | 111.3 | F250 R253 L254 T267 I269 R275 | F250-I271 HydrophobicContact CB-CG2 4.12Å; F250-I271 HydrophobicContact CD1-CD1 4.24Å; F250-I271 HydrophobicContact CD1-CG1 4.15Å; F250-I271 HydrophobicContact CD1-CG2 3.98Å; F250-I271 HydrophobicContact CG-CG2 4.35Å; R253-I271 HydrophobicContact CB-CD1 3.42Å; R253-I271 VanDerWaalsContact CB-CD1 3.42Å; R253-I271 HydrophobicContact CG-CD1 4.35Å; L254-I271 HydrophobicContact CD1-CG2 3.98Å; L254-I271 HydrophobicContact CD2-CB 3.86Å; L254-I271 HydrophobicContact CD2-CD1 4.28Å; L254-I271 HydrophobicContact CD2-CG2 3.77Å; L254-I271 HydrophobicContact CG-CB 4.36Å; L254-I271 HydrophobicContact CG-CD1 4.3Å; L254-I271 HydrophobicContact CG-CG2 3.8Å; T267-I271 HydrophobicContact CG2-CD1 3.61Å; T267-I271 HydrophobicContact CG2-CG1 4.31Å; T267-I271 WeakPolarHBondContact O-CG1 3.28Å; T267-I271 PolarHBondContact O-N 3.26Å; I269-I271 VanDerWaalsContact C-N 3.33Å; I269-I271 PolarHBondContact O-N 3.1Å; I271-R275 HydrophobicContact CG2-CG 4.18Å; I271-R275 VanDerWaalsContact O-CB 3.23Å; I271-R275 WeakPolarHBondContact O-CB 3.13Å; I271-R275 VanDerWaalsContact O-CG 3.24Å; I271-R275 WeakPolarHBondContact O-CG 3.43Å; I271-R275 PolarHBondContact O-N 2.77Å |
| 272 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | -175.8 | -69.1 | 171.3 | 0 | 0 | 0 | 110.4 | L254 L268 I269 S276 L280 L299 L311 I314 | L254-I272 HydrophobicContact CD2-CD1 4.33Å; L254-I272 HydrophobicContact CD2-CG1 3.98Å; L268-I272 HydrophobicContact CB-CD1 4.48Å; L268-I272 VanDerWaalsContact O-CB 3.22Å; L268-I272 WeakPolarHBondContact O-CB 3.4Å; L268-I272 WeakPolarHBondContact O-CG1 3.3Å; L268-I272 PolarHBondContact O-N 3.5Å; I269-I272 PolarHBondContact O-N 3.24Å; I272-S276 WeakPolarHBondContact O-CB 3.46Å; I272-S276 PolarHBondContact O-N 2.81Å; I272-L280 HydrophobicContact CG2-CD2 4.09Å; I272-L280 WeakPolarHBondContact O-CD2 3.48Å; I272-L299 HydrophobicContact CD1-CD1 3.82Å; I272-L299 HydrophobicContact CD1-CD2 4.03Å; I272-L311 HydrophobicContact CB-CD2 4.23Å; I272-L311 HydrophobicContact CD1-CB 4.13Å; I272-L311 HydrophobicContact CD1-CD1 3.98Å; I272-L311 HydrophobicContact CD1-CD2 3.97Å; I272-L311 HydrophobicContact CD1-CG 4.25Å; I272-L311 HydrophobicContact CG2-CD2 4.01Å; I272-I314 HydrophobicContact CG2-CB 3.94Å; I272-I314 HydrophobicContact CG2-CD1 3.92Å; I272-I314 HydrophobicContact CG2-CG2 3.61Å |
| 273 | V | 98.4 | Very high | 98 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 9% | 0.085 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.1 | -45.3 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | A82 M83 I269 R275 S276 I314 | A82-V273 HydrophobicContact CB-CG1 4.27Å; A82-V273 HydrophobicContact CB-CG2 4.43Å; M83-V273 HydrophobicContact CG-CG1 3.88Å; M83-V273 HydrophobicContact CG-CG2 3.84Å; I269-V273 HydrophobicContact CG2-CG2 4.21Å; I269-V273 VanDerWaalsContact O-CB 3.23Å; I269-V273 WeakPolarHBondContact O-CB 3.41Å; I269-V273 WeakPolarHBondContact O-CG2 3.27Å; I269-V273 PolarHBondContact O-N 2.74Å; V273-R275 VanDerWaalsContact C-N 3.27Å; V273-R275 PolarHBondContact O-N 2.92Å; V273-S276 PolarHBondContact O-N 3.42Å; V273-S276 PolarHBondContact O-OG 3.4Å; V273-I314 HydrophobicContact CG2-CD1 4.3Å |
| 274 | G | 97.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 10% | 0.103 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.6 | -23 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R270 I278 | R270-G274 VanDerWaalsContact O-CA 3.26Å; R270-G274 WeakPolarHBondContact O-CA 3.26Å; R270-G274 PolarHBondContact O-N 2.76Å; G274-I278 WeakPolarHBondContact O-CD1 3.46Å |
| 275 | R | 98.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 13% | 0.128 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -107 | -6.7 | -180 | -55.3 | -56.5 | -68.8 | -173.5 | -7.2 | 114.1 | F250 I271 V273 E277 I278 D279 L280 | F250-R275 HydrophobicContact CG-CG 4.5Å; I271-R275 HydrophobicContact CG2-CG 4.18Å; I271-R275 VanDerWaalsContact O-CB 3.23Å; I271-R275 WeakPolarHBondContact O-CB 3.13Å; I271-R275 VanDerWaalsContact O-CG 3.24Å; I271-R275 WeakPolarHBondContact O-CG 3.43Å; I271-R275 PolarHBondContact O-N 2.77Å; V273-R275 VanDerWaalsContact C-N 3.27Å; V273-R275 PolarHBondContact O-N 2.92Å; R275-E277 PolarHBondContact O-N 3.15Å; R275-E277 VanDerWaalsContact O-N 3.16Å; R275-I278 PolarHBondContact O-N 3.45Å; R275-D279 IonicContact CZ-OD1 2.89Å; R275-D279 VanDerWaalsContact CZ-OD1 3.3Å; R275-D279 IonicContact CZ-OD2 3.35Å; R275-D279 IonicContact NE-OD1 3.99Å; R275-D279 PolarHBondContact NE-OD1 3.06Å; R275-D279 IonicContact NE-OD2 3.14Å; R275-D279 IonicContact NH2-OD1 3.74Å; R275-D279 PolarHBondContact NH2-OD1 3.24Å; R275-D279 VanDerWaalsContact NH2-OD1 3.14Å; R275-D279 IonicContact NH2-OD2 2.73Å; R275-D279 PolarHBondContact NH2-OD2 3.5Å; R275-D279 PolarHBondContact O-N 3.49Å; R275-D279 VanDerWaalsContact O-N 3.1Å; R275-L280 HydrophobicContact CB-CB 4.32Å; R275-L280 HydrophobicContact CB-CD1 4.44Å; R275-L280 WeakPolarHBondContact O-CB 3.42Å; R275-L280 PolarHBondContact O-N 2.92Å |
| 276 | S | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -33.9 | -172 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | P6 T7 V8 I272 V273 | P6-S276 WeakPolarHBondContact CB-O 3.37Å; T7-S276 PolarHBondContact N-O 3.24Å; T7-S276 PolarHBondContact OG1-O 3.06Å; V8-S276 PolarHBondContact N-O 3.04Å; I272-S276 WeakPolarHBondContact O-CB 3.46Å; I272-S276 PolarHBondContact O-N 2.81Å; V273-S276 PolarHBondContact O-N 3.42Å; V273-S276 PolarHBondContact O-OG 3.4Å |
| 277 | E | 97.6 | Very high | 98.1 | Very high | 67 Ų | 67 | 20.6 Ų | 20.6 | 31% | 0.313 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 12.1 | -179.5 | -67.2 | 175.7 | -134.4 | 0 | 0 | 112.6 | V8 S45 A46 R49 R275 | V8-E277 HydrophobicContact CB-CG 3.84Å; V8-E277 HydrophobicContact CG1-CG 3.91Å; S45-E277 WeakPolarHBondContact CB-OE2 3.43Å; A46-E277 WeakPolarHBondContact CB-OE1 3.3Å; A46-E277 VanDerWaalsContact N-CD 3.28Å; A46-E277 PolarHBondContact N-OE1 2.89Å; A46-E277 PolarHBondContact N-OE2 3.46Å; R49-E277 IonicContact CZ-OE1 2.92Å; R49-E277 IonicContact NH1-OE1 2.83Å; R49-E277 IonicContact NH2-OE1 3.72Å; R49-E277 PolarHBondContact NH2-OE1 3.44Å; R275-E277 PolarHBondContact O-N 3.15Å; R275-E277 VanDerWaalsContact O-N 3.16Å |
| 278 | I | 96.6 | Very high | 98 | Very high | 69 Ų | 69 | 24.1 Ų | 24.1 | 35% | 0.354 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -74.4 | -179.3 | -54.3 | 174.8 | 0 | 0 | 0 | 109.8 | V4 Q5 G274 R275 | V4-I278 WeakPolarHBondContact CG1-O 3.23Å; Q5-I278 CarbonylContact C-O 3.59Å; G274-I278 WeakPolarHBondContact O-CD1 3.46Å; R275-I278 PolarHBondContact O-N 3.45Å |
| 279 | D | 97.4 | Very high | 98 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | 17.2 | -166.5 | 71 | -12.5 | 0 | 0 | 0 | 114.6 | V4 Q5 Q247 R275 E281 T282 V283 | V4-D279 HydrophobicContact CG1-CB 3.65Å; Q5-D279 CarbonylContact O-C 3.37Å; Q5-D279 WeakPolarHBondContact O-CA 3.49Å; Q247-D279 HydrophobicContact CG-CB 4.31Å; Q247-D279 VanDerWaalsContact CG-OD2 3.31Å; Q247-D279 WeakPolarHBondContact CG-OD2 3.41Å; Q247-D279 PolarHBondContact NE2-OD2 3.31Å; R275-D279 IonicContact CZ-OD1 2.89Å; R275-D279 VanDerWaalsContact CZ-OD1 3.3Å; R275-D279 IonicContact CZ-OD2 3.35Å; R275-D279 IonicContact NE-OD1 3.99Å; R275-D279 PolarHBondContact NE-OD1 3.06Å; R275-D279 IonicContact NE-OD2 3.14Å; R275-D279 IonicContact NH2-OD1 3.74Å; R275-D279 PolarHBondContact NH2-OD1 3.24Å; R275-D279 VanDerWaalsContact NH2-OD1 3.14Å; R275-D279 IonicContact NH2-OD2 2.73Å; R275-D279 PolarHBondContact NH2-OD2 3.5Å; R275-D279 PolarHBondContact O-N 3.49Å; R275-D279 VanDerWaalsContact O-N 3.1Å; D279-E281 PolarHBondContact O-N 2.98Å; D279-T282 WeakPolarHBondContact O-CA 3.46Å; D279-T282 WeakPolarHBondContact O-CB 3.3Å; D279-T282 PolarHBondContact O-N 3.43Å; D279-V283 WeakPolarHBondContact O-CG2 3.34Å; D279-V283 PolarHBondContact O-N 3.36Å |
| 280 | L | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -28 | -175.5 | -171 | 61.3 | 0 | 0 | 0 | 113.1 | Q5 T7 I272 R275 V283 K284 I314 L315 | Q5-L280 PolarHBondContact O-N 2.93Å; T7-L280 HydrophobicContact CG2-CB 3.92Å; T7-L280 HydrophobicContact CG2-CD2 4.19Å; T7-L280 HydrophobicContact CG2-CG 4Å; I272-L280 HydrophobicContact CG2-CD2 4.09Å; I272-L280 WeakPolarHBondContact O-CD2 3.48Å; R275-L280 HydrophobicContact CB-CB 4.32Å; R275-L280 HydrophobicContact CB-CD1 4.44Å; R275-L280 WeakPolarHBondContact O-CB 3.42Å; R275-L280 PolarHBondContact O-N 2.92Å; L280-V283 HydrophobicContact CD1-CB 4.27Å; L280-V283 HydrophobicContact CD1-CG1 4.38Å; L280-V283 PolarHBondContact O-N 2.83Å; L280-K284 WeakPolarHBondContact O-CG 3.37Å; L280-K284 PolarHBondContact O-N 3.12Å; L280-I314 HydrophobicContact CD2-CG2 3.86Å; L280-L315 HydrophobicContact CD1-CD2 4.27Å; L280-L315 HydrophobicContact CD2-CD2 3.62Å; L280-L315 HydrophobicContact CG-CD2 3.91Å |
| 281 | E | 97.8 | Very high | 97.9 | Very high | 50 Ų | 50 | 37 Ų | 37 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 173.6 | -168.8 | 63.2 | -151.9 | 0 | 0 | 110.4 | Q5 T7 D279 V283 K284 D285 | Q5-E281 HydrophobicContact CB-CB 3.68Å; Q5-E281 HydrophobicContact CB-CG 4.13Å; Q5-E281 WeakPolarHBondContact O-CB 3.31Å; Q5-E281 PolarHBondContact O-N 3.3Å; T7-E281 HydrophobicContact CG2-CB 4.27Å; T7-E281 WeakPolarHBondContact CG2-OE2 3.35Å; D279-E281 PolarHBondContact O-N 2.98Å; E281-V283 VanDerWaalsContact C-N 3.31Å; E281-V283 PolarHBondContact O-N 3.31Å; E281-K284 VanDerWaalsContact O-CB 3.32Å; E281-K284 WeakPolarHBondContact O-CB 3.48Å; E281-K284 PolarHBondContact O-N 3.24Å; E281-K284 VanDerWaalsContact O-N 3.15Å; E281-K284 IonicContact OE1-NZ 3.41Å; E281-K284 PolarHBondContact OE1-NZ 3.45Å; E281-K284 IonicContact OE2-NZ 2.72Å; E281-K284 PolarHBondContact OE2-NZ 2.85Å; E281-D285 PolarHBondContact O-N 3.2Å; E281-D285 VanDerWaalsContact O-N 3.16Å |
| 282 | T | 97.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 176.1 | -42.8 | 0 | 0 | 0 | 0 | 111.9 | N3 Q5 Q247 D279 K284 D285 M286 | N3-T282 WeakPolarHBondContact O-CB 3.37Å; N3-T282 WeakPolarHBondContact O-CG2 3.46Å; N3-T282 PolarHBondContact O-OG1 3.18Å; Q5-T282 PolarHBondContact N-OG1 2.87Å; Q5-T282 VanDerWaalsContact N-OG1 3.12Å; Q247-T282 HydrophobicContact CB-CG2 4.24Å; Q247-T282 HydrophobicContact CG-CG2 3.75Å; D279-T282 WeakPolarHBondContact O-CA 3.46Å; D279-T282 WeakPolarHBondContact O-CB 3.3Å; D279-T282 PolarHBondContact O-N 3.43Å; T282-K284 VanDerWaalsContact C-N 3.33Å; T282-D285 PolarHBondContact O-N 2.96Å; T282-M286 VanDerWaalsContact O-CG 3.32Å; T282-M286 WeakPolarHBondContact O-CG 3.48Å; T282-M286 PolarHBondContact O-N 2.86Å |
| 283 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 173.5 | 174.3 | 0 | 0 | 0 | 0 | 111 | Q247 F250 A251 L254 D279 L280 E281 M286 Y287 | Q247-V283 HydrophobicContact CB-CG2 4.05Å; Q247-V283 HydrophobicContact CG-CG2 4.17Å; F250-V283 HydrophobicContact CB-CG1 4.14Å; F250-V283 HydrophobicContact CB-CG2 4.08Å; A251-V283 HydrophobicContact CB-CG1 4.33Å; L254-V283 HydrophobicContact CD1-CG1 3.74Å; D279-V283 WeakPolarHBondContact O-CG2 3.34Å; D279-V283 PolarHBondContact O-N 3.36Å; L280-V283 HydrophobicContact CD1-CB 4.27Å; L280-V283 HydrophobicContact CD1-CG1 4.38Å; L280-V283 PolarHBondContact O-N 2.83Å; E281-V283 VanDerWaalsContact C-N 3.31Å; E281-V283 PolarHBondContact O-N 3.31Å; V283-M286 PolarHBondContact O-N 3.09Å; V283-Y287 WeakPolarHBondContact O-CB 3.43Å; V283-Y287 PolarHBondContact O-N 3.45Å |
| 284 | K | 97.7 | Very high | 97.9 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.4 | -70.4 | 160.5 | 52.9 | -169.4 | 0 | 111.1 | T7 L280 E281 T282 Y287 L288 L295 L315 | T7-K284 HydrophobicContact CG2-CD 3.96Å; L280-K284 WeakPolarHBondContact O-CG 3.37Å; L280-K284 PolarHBondContact O-N 3.12Å; E281-K284 VanDerWaalsContact O-CB 3.32Å; E281-K284 WeakPolarHBondContact O-CB 3.48Å; E281-K284 PolarHBondContact O-N 3.24Å; E281-K284 VanDerWaalsContact O-N 3.15Å; E281-K284 IonicContact OE1-NZ 3.41Å; E281-K284 PolarHBondContact OE1-NZ 3.45Å; E281-K284 IonicContact OE2-NZ 2.72Å; E281-K284 PolarHBondContact OE2-NZ 2.85Å; T282-K284 VanDerWaalsContact C-N 3.33Å; K284-Y287 WeakPolarHBondContact O-CB 3.45Å; K284-Y287 PolarHBondContact O-N 2.73Å; K284-L288 PolarHBondContact O-N 2.97Å; K284-L295 HydrophobicContact CG-CB 4.38Å; K284-L295 HydrophobicContact CG-CD2 4.07Å; K284-L315 HydrophobicContact CD-CB 4.08Å; K284-L315 HydrophobicContact CD-CD2 4.19Å; K284-L315 HydrophobicContact CG-CD2 4.27Å; K284-L315 PolarHBondContact NZ-O 3.03Å |
| 285 | D | 97.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 48.4 Ų | 48.4 | 43% | 0.428 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 177.8 | -72.2 | -19.1 | 0 | 0 | 0 | 111.7 | E281 T282 Y287 L288 E289 | E281-D285 PolarHBondContact O-N 3.2Å; E281-D285 VanDerWaalsContact O-N 3.16Å; T282-D285 PolarHBondContact O-N 2.96Å; D285-Y287 VanDerWaalsContact C-N 3.28Å; D285-Y287 PolarHBondContact O-N 3.18Å; D285-L288 PolarHBondContact O-N 3.36Å; D285-E289 WeakPolarHBondContact O-CB 3.42Å; D285-E289 PolarHBondContact O-N 3.48Å |
| 286 | M | 97.6 | Very high | 97.9 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 15% | 0.153 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 177 | -68.5 | -61.7 | 95.3 | 0 | 0 | 112.7 | N245 Q247 L248 A251 T282 V283 E289 K290 | N245-M286 PolarHBondContact ND2-SD 3.25Å; Q247-M286 HydrophobicContact CB-CB 4.48Å; Q247-M286 HydrophobicContact CB-CG 3.71Å; L248-M286 HydrophobicContact CB-CB 4.48Å; L248-M286 HydrophobicContact CD1-CB 3.96Å; L248-M286 HydrophobicContact CD1-SD 4.42Å; A251-M286 HydrophobicContact CB-CB 4.18Å; T282-M286 VanDerWaalsContact O-CG 3.32Å; T282-M286 WeakPolarHBondContact O-CG 3.48Å; T282-M286 PolarHBondContact O-N 2.86Å; V283-M286 PolarHBondContact O-N 3.09Å; M286-E289 VanDerWaalsContact CE-OE2 3.24Å; M286-E289 WeakPolarHBondContact CE-OE2 3.28Å; M286-K290 WeakPolarHBondContact O-CB 3.29Å; M286-K290 PolarHBondContact O-N 3.21Å; M286-K290 VanDerWaalsContact O-N 3.12Å |
| 287 | Y | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -49.3 | 174.8 | -167.4 | -74.7 | 0 | 0 | 0 | 110.6 | A251 L254 N255 M258 V283 K284 D285 K290 Y291 V293 L295 A298 | A251-Y287 HydrophobicContact CB-CD2 4.19Å; A251-Y287 WeakPolarHBondContact O-CD2 3.4Å; L254-Y287 HydrophobicContact CB-CD2 4.26Å; L254-Y287 HydrophobicContact CB-CE2 4.06Å; N255-Y287 HydrophobicContact CB-CE2 3.72Å; N255-Y287 PolarHBondContact ND2-OH 3.2Å; N255-Y287 VanDerWaalsContact ND2-OH 3.1Å; M258-Y287 HydrophobicContact CE-CE2 3.87Å; M258-Y287 WeakPolarHBondContact CE-OH 3.37Å; V283-Y287 WeakPolarHBondContact O-CB 3.43Å; V283-Y287 PolarHBondContact O-N 3.45Å; K284-Y287 WeakPolarHBondContact O-CB 3.45Å; K284-Y287 PolarHBondContact O-N 2.73Å; D285-Y287 VanDerWaalsContact C-N 3.28Å; D285-Y287 PolarHBondContact O-N 3.18Å; Y287-K290 PolarHBondContact O-N 2.9Å; Y287-Y291 AromaticContact CD1-CD2 3.91Å; Y287-Y291 HydrophobicContact CD1-CD2 3.91Å; Y287-Y291 AromaticContact CD2-CD2 3.97Å; Y287-Y291 HydrophobicContact CD2-CD2 3.97Å; Y287-Y291 HydrophobicContact CD2-CE2 4.18Å; Y287-Y291 AromaticContact CE1-CD2 3.88Å; Y287-Y291 HydrophobicContact CE1-CD2 3.88Å; Y287-Y291 HydrophobicContact CE1-CG 4.3Å; Y287-Y291 AromaticContact CE2-CD2 3.97Å; Y287-Y291 HydrophobicContact CE2-CD2 3.97Å; Y287-Y291 HydrophobicContact CE2-CE2 4.17Å; Y287-Y291 AromaticContact CG-CD2 3.94Å; Y287-Y291 HydrophobicContact CG-CD2 3.94Å; Y287-Y291 AromaticContact CZ-CD2 3.91Å; Y287-Y291 WeakPolarHBondContact O-CB 3.5Å; Y287-Y291 WeakPolarHBondContact O-CD2 3.42Å; Y287-Y291 PolarHBondContact O-N 3.06Å; Y287-V293 VanDerWaalsContact CD1-O 3.31Å; Y287-V293 WeakPolarHBondContact CD1-O 3.4Å; Y287-L295 HydrophobicContact CD1-CB 4.18Å; Y287-L295 HydrophobicContact CD2-CD1 3.84Å; Y287-L295 HydrophobicContact CE2-CD1 3.8Å; Y287-L295 HydrophobicContact CG-CB 4.1Å; Y287-L295 HydrophobicContact CG-CD1 4.26Å; Y287-A298 HydrophobicContact CE1-CB 4.09Å; Y287-A298 WeakPolarHBondContact OH-CB 3.37Å |
| 288 | L | 98.3 | Very high | 97.9 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 41% | 0.414 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 178.2 | 177.7 | 58.5 | 0 | 0 | 0 | 111.5 | K284 D285 K290 Y291 D292 T294 | K284-L288 PolarHBondContact O-N 2.97Å; D285-L288 PolarHBondContact O-N 3.36Å; L288-K290 PolarHBondContact O-N 3.22Å; L288-Y291 PolarHBondContact O-N 2.98Å; L288-D292 WeakPolarHBondContact O-CA 3.22Å; L288-D292 PolarHBondContact O-N 3.12Å; L288-T294 HydrophobicContact CD1-CG2 4.09Å |
| 289 | E | 98.1 | Very high | 98 | Very high | 144 Ų | 144 | 49.2 Ų | 49.2 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.7 | -36 | 178.4 | -174.5 | -177.2 | 165.4 | 0 | 0 | 112.2 | D285 M286 | D285-E289 WeakPolarHBondContact O-CB 3.42Å; D285-E289 PolarHBondContact O-N 3.48Å; M286-E289 VanDerWaalsContact CE-OE2 3.24Å; M286-E289 WeakPolarHBondContact CE-OE2 3.28Å |
| 290 | K | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -82.3 | -35 | -175.6 | -175.3 | 167.6 | -171.4 | 65.7 | 0 | 114 | L248 R252 M286 Y287 L288 | L248-K290 HydrophobicContact CD1-CB 4.01Å; L248-K290 HydrophobicContact CD1-CD 3.78Å; L248-K290 HydrophobicContact CD1-CG 4.4Å; L248-K290 HydrophobicContact CG-CD 4.36Å; R252-K290 HydrophobicContact CG-CD 3.8Å; R252-K290 VanDerWaalsContact CG-CE 3.49Å; M286-K290 WeakPolarHBondContact O-CB 3.29Å; M286-K290 PolarHBondContact O-N 3.21Å; M286-K290 VanDerWaalsContact O-N 3.12Å; Y287-K290 PolarHBondContact O-N 2.9Å; L288-K290 PolarHBondContact O-N 3.22Å |
| 291 | Y | 98 | Very high | 97.8 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -119.1 | -2.7 | -166.4 | -62.9 | -66.4 | 0 | 0 | 0 | 114.2 | R252 N255 Y287 L288 V293 | R252-Y291 WeakPolarHBondContact CA-OH 3.48Å; N255-Y291 HydrophobicContact CB-CD2 4.07Å; N255-Y291 HydrophobicContact CB-CE1 3.93Å; N255-Y291 HydrophobicContact CB-CE2 3.42Å; N255-Y291 VanDerWaalsContact CB-CE2 3.42Å; N255-Y291 WeakPolarHBondContact CB-OH 3.45Å; N255-Y291 VanDerWaalsContact OD1-CE1 3.29Å; N255-Y291 WeakPolarHBondContact OD1-CE1 3.48Å; Y287-Y291 AromaticContact CD1-CD2 3.91Å; Y287-Y291 HydrophobicContact CD1-CD2 3.91Å; Y287-Y291 AromaticContact CD2-CD2 3.97Å; Y287-Y291 HydrophobicContact CD2-CD2 3.97Å; Y287-Y291 HydrophobicContact CD2-CE2 4.18Å; Y287-Y291 AromaticContact CE1-CD2 3.88Å; Y287-Y291 HydrophobicContact CE1-CD2 3.88Å; Y287-Y291 HydrophobicContact CE1-CG 4.3Å; Y287-Y291 AromaticContact CE2-CD2 3.97Å; Y287-Y291 HydrophobicContact CE2-CD2 3.97Å; Y287-Y291 HydrophobicContact CE2-CE2 4.17Å; Y287-Y291 AromaticContact CG-CD2 3.94Å; Y287-Y291 HydrophobicContact CG-CD2 3.94Å; Y287-Y291 AromaticContact CZ-CD2 3.91Å; Y287-Y291 WeakPolarHBondContact O-CB 3.5Å; Y287-Y291 WeakPolarHBondContact O-CD2 3.42Å; Y287-Y291 PolarHBondContact O-N 3.06Å; L288-Y291 PolarHBondContact O-N 2.98Å; Y291-V293 PolarHBondContact O-N 3.4Å; Y291-V293 VanDerWaalsContact O-N 3.08Å |
| 292 | D | 97.9 | Very high | 97.8 | Very high | 144 Ų | 144 | 58.4 Ų | 58.4 | 77% | 0.77 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 55.6 | 23 | -178.7 | -61.6 | -56.3 | 0 | 0 | 0 | 113.8 | L288 | L288-D292 WeakPolarHBondContact O-CA 3.22Å; L288-D292 PolarHBondContact O-N 3.12Å |
| 293 | V | 97.8 | Very high | 97.7 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -140.3 | 139.2 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | Y287 Y291 D297 A298 | Y287-V293 VanDerWaalsContact CD1-O 3.31Å; Y287-V293 WeakPolarHBondContact CD1-O 3.4Å; Y291-V293 PolarHBondContact O-N 3.4Å; Y291-V293 VanDerWaalsContact O-N 3.08Å; V293-D297 HydrophobicContact CG1-CB 3.92Å; V293-A298 HydrophobicContact CG1-CB 4.49Å |
| 294 | T | 98.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 60.5 Ų | 60.5 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | trans | -70.1 | 148.9 | 178.2 | 75.1 | 0 | 0 | 0 | 0 | 110.5 | L288 K296 D297 A298 | L288-T294 HydrophobicContact CD1-CG2 4.09Å; T294-K296 PolarHBondContact O-N 3.26Å; T294-D297 PolarHBondContact O-N 3.1Å; T294-D297 VanDerWaalsContact O-N 3.16Å; T294-D297 WeakPolarHBondContact OG1-CB 3.32Å; T294-D297 PolarHBondContact OG1-N 3.4Å; T294-D297 PolarHBondContact OG1-OD2 3.15Å; T294-A298 PolarHBondContact O-N 3.35Å | ||
| 295 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.9 | -34.3 | 174.9 | 179.1 | 60.1 | 0 | 0 | 0 | 111.6 | L254 M258 K284 Y287 A298 L299 L315 | L254-L295 HydrophobicContact CB-CD1 4.21Å; L254-L295 HydrophobicContact CD1-CD1 3.99Å; L254-L295 HydrophobicContact CD1-CD2 3.75Å; M258-L295 HydrophobicContact CE-CD1 3.68Å; K284-L295 HydrophobicContact CG-CB 4.38Å; K284-L295 HydrophobicContact CG-CD2 4.07Å; Y287-L295 HydrophobicContact CD1-CB 4.18Å; Y287-L295 HydrophobicContact CD2-CD1 3.84Å; Y287-L295 HydrophobicContact CE2-CD1 3.8Å; Y287-L295 HydrophobicContact CG-CB 4.1Å; Y287-L295 HydrophobicContact CG-CD1 4.26Å; L295-A298 PolarHBondContact O-N 3Å; L295-L299 HydrophobicContact CD1-CD1 4.43Å; L295-L299 HydrophobicContact CD1-CG 4.39Å; L295-L299 HydrophobicContact CG-CD1 4.19Å; L295-L299 WeakPolarHBondContact O-CG 3.38Å; L295-L299 PolarHBondContact O-N 3.04Å; L295-L315 HydrophobicContact CB-CD1 4.21Å; L295-L315 HydrophobicContact CD2-CD1 3.94Å; L295-L315 HydrophobicContact CD2-CD2 3.93Å; L295-L315 HydrophobicContact CG-CD1 3.81Å |
| 296 | K | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 175.4 | 179.4 | 168.9 | -177.5 | 159.3 | 0 | 112.3 | T294 A298 L299 D300 I312 L315 | T294-K296 PolarHBondContact O-N 3.26Å; K296-A298 VanDerWaalsContact C-N 3.33Å; K296-L299 PolarHBondContact O-N 2.95Å; K296-D300 WeakPolarHBondContact O-CB 3.29Å; K296-D300 PolarHBondContact O-N 3.45Å; K296-I312 HydrophobicContact CD-CG2 4Å; K296-I312 HydrophobicContact CG-CD1 4.39Å; K296-I312 HydrophobicContact CG-CG1 4.36Å; K296-I312 HydrophobicContact CG-CG2 3.91Å; K296-L315 HydrophobicContact CB-CD1 4.29Å |
| 297 | D | 98.1 | Very high | 97.7 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 179.1 | -61.9 | -37.5 | 0 | 0 | 0 | 111.6 | V293 T294 D300 S301 | V293-D297 HydrophobicContact CG1-CB 3.92Å; T294-D297 PolarHBondContact O-N 3.1Å; T294-D297 VanDerWaalsContact O-N 3.16Å; T294-D297 WeakPolarHBondContact OG1-CB 3.32Å; T294-D297 PolarHBondContact OG1-N 3.4Å; T294-D297 PolarHBondContact OG1-OD2 3.15Å; D297-D300 PolarHBondContact O-N 3.28Å; D297-S301 PolarHBondContact O-N 3.45Å; D297-S301 VanDerWaalsContact O-N 3.1Å |
| 298 | A | 98 | Very high | 97.7 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M258 Y287 V293 T294 L295 K296 D300 S301 E302 | M258-A298 HydrophobicContact CE-CB 3.86Å; M258-A298 HydrophobicContact SD-CB 3.8Å; Y287-A298 HydrophobicContact CE1-CB 4.09Å; Y287-A298 WeakPolarHBondContact OH-CB 3.37Å; V293-A298 HydrophobicContact CG1-CB 4.49Å; T294-A298 PolarHBondContact O-N 3.35Å; L295-A298 PolarHBondContact O-N 3Å; K296-A298 VanDerWaalsContact C-N 3.33Å; A298-D300 VanDerWaalsContact C-N 3.29Å; A298-D300 PolarHBondContact O-N 3Å; A298-S301 PolarHBondContact O-N 3.47Å; A298-E302 WeakPolarHBondContact O-CG 3.45Å; A298-E302 PolarHBondContact O-N 2.94Å |
| 299 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 174.5 | -70.4 | 168.5 | 0 | 0 | 0 | 112.3 | M258 L268 I272 L295 K296 S301 E302 C303 L311 I312 L315 | M258-L299 HydrophobicContact SD-CD2 3.77Å; M258-L299 HydrophobicContact SD-CG 4.08Å; L268-L299 HydrophobicContact CD1-CD2 3.84Å; L268-L299 HydrophobicContact CD2-CD2 4.33Å; I272-L299 HydrophobicContact CD1-CD1 3.82Å; I272-L299 HydrophobicContact CD1-CD2 4.03Å; L295-L299 HydrophobicContact CD1-CD1 4.43Å; L295-L299 HydrophobicContact CD1-CG 4.39Å; L295-L299 HydrophobicContact CG-CD1 4.19Å; L295-L299 WeakPolarHBondContact O-CG 3.38Å; L295-L299 PolarHBondContact O-N 3.04Å; K296-L299 PolarHBondContact O-N 2.95Å; L299-S301 VanDerWaalsContact C-N 3.28Å; L299-S301 PolarHBondContact O-N 2.91Å; L299-E302 PolarHBondContact O-N 3.08Å; L299-C303 VanDerWaalsContact O-CB 3.32Å; L299-C303 WeakPolarHBondContact O-CB 3.29Å; L299-C303 PolarHBondContact O-N 3.44Å; L299-L311 HydrophobicContact CD1-CB 4.19Å; L299-L311 HydrophobicContact CD2-CD1 3.94Å; L299-I312 HydrophobicContact CB-CG1 4.16Å; L299-L315 HydrophobicContact CD1-CD1 3.65Å; L299-L315 HydrophobicContact CD1-CG 4.45Å |
| 300 | D | 97.2 | Very high | 97.7 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65 | -34.1 | 177.9 | -168.8 | 62 | 0 | 0 | 0 | 113 | K296 D297 A298 K308 I312 | K296-D300 WeakPolarHBondContact O-CB 3.29Å; K296-D300 PolarHBondContact O-N 3.45Å; D297-D300 PolarHBondContact O-N 3.28Å; A298-D300 VanDerWaalsContact C-N 3.29Å; A298-D300 PolarHBondContact O-N 3Å; D300-K308 HydrophobicContact CB-CD 4.33Å; D300-K308 PolarHBondContact O-NZ 3.45Å; D300-K308 VanDerWaalsContact OD1-CD 3.31Å; D300-K308 WeakPolarHBondContact OD1-CD 3.49Å; D300-K308 WeakPolarHBondContact OD1-CE 3.18Å; D300-K308 IonicContact OD1-NZ 3.3Å; D300-K308 PolarHBondContact OD1-NZ 3.17Å; D300-I312 HydrophobicContact CB-CD1 4.04Å |
| 301 | S | 96.2 | Very high | 97.7 | Very high | 87 Ų | 87 | 50.5 Ų | 50.5 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -73.8 | -43.7 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | D297 A298 L299 | D297-S301 PolarHBondContact O-N 3.45Å; D297-S301 VanDerWaalsContact O-N 3.1Å; A298-S301 PolarHBondContact O-N 3.47Å; L299-S301 VanDerWaalsContact C-N 3.28Å; L299-S301 PolarHBondContact O-N 2.91Å |
| 302 | E | 96.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -98.6 | -13.1 | -166.4 | -58.6 | -51.7 | 129.7 | 0 | 0 | 114.7 | M258 T263 A298 L299 | M258-E302 HydrophobicContact CB-CB 4.32Å; M258-E302 HydrophobicContact CB-CG 3.94Å; M258-E302 HydrophobicContact CG-CB 4.02Å; M258-E302 HydrophobicContact CG-CG 4.12Å; M258-E302 HydrophobicContact SD-CB 4.4Å; M258-E302 HydrophobicContact SD-CG 4.42Å; T263-E302 PolarHBondContact OG1-O 3.45Å; A298-E302 WeakPolarHBondContact O-CG 3.45Å; A298-E302 PolarHBondContact O-N 2.94Å; L299-E302 PolarHBondContact O-N 3.08Å |
| 303 | C | 96.3 | Very high | 97.8 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.081 | 26% | 0.256 | C | S | . | . | trans | -117.7 | 156.5 | -178.6 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | L299 F307 K308 | L299-C303 VanDerWaalsContact O-CB 3.32Å; L299-C303 WeakPolarHBondContact O-CB 3.29Å; L299-C303 PolarHBondContact O-N 3.44Å; C303-F307 HydrophobicContact CB-CD1 4.29Å; C303-F307 HydrophobicContact CB-CE1 4.47Å; C303-K308 HydrophobicContact CB-CB 3.67Å; C303-K308 HydrophobicContact CB-CG 4.17Å; C303-K308 WeakPolarHBondContact O-CD 3.31Å | ||
| 304 | G | 95.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 41 Ų | 41 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | trans | -124.5 | 165.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K308 | G304-K308 PolarHBondContact O-N 3.05Å; G304-K308 VanDerWaalsContact O-N 3.08Å | ||
| 305 | G | 97.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 57% | 0.567 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | 60.6 | -151.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F307 K308 R309 | G305-F307 VanDerWaalsContact C-N 3.29Å; G305-K308 PolarHBondContact O-N 2.91Å; G305-R309 PolarHBondContact O-N 3.16Å |
| 306 | D | 98.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.5 | -22.3 | 179.9 | -57.4 | -57.8 | 0 | 0 | 0 | 112.6 | E34 I38 F76 R309 L310 | E34-D306 HydrophobicContact CB-CB 4.17Å; E34-D306 HydrophobicContact CG-CB 4.49Å; I38-D306 HydrophobicContact CD1-CB 4.26Å; F76-D306 HydrophobicContact CD1-CB 3.84Å; F76-D306 HydrophobicContact CD2-CB 4.08Å; F76-D306 HydrophobicContact CE1-CB 3.85Å; F76-D306 HydrophobicContact CE2-CB 4.1Å; F76-D306 HydrophobicContact CG-CB 3.96Å; F76-D306 HydrophobicContact CZ-CB 4Å; D306-R309 PolarHBondContact O-N 3.41Å; D306-R309 IonicContact OD1-CZ 2.73Å; D306-R309 IonicContact OD1-NH1 2.86Å; D306-R309 PolarHBondContact OD1-NH1 3.19Å; D306-R309 IonicContact OD1-NH2 3.79Å; D306-R309 PolarHBondContact OD1-NH2 2.99Å; D306-L310 WeakPolarHBondContact O-CB 3.46Å; D306-L310 PolarHBondContact O-N 2.95Å |
| 307 | F | 98.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -52 | 169.5 | 176.7 | -119.8 | 0 | 0 | 0 | 111.1 | S75 F76 A79 E265 I269 C303 G305 R309 L310 L311 | S75-F307 VanDerWaalsContact O-CD2 3.3Å; S75-F307 WeakPolarHBondContact O-CD2 3.46Å; F76-F307 HydrophobicContact CB-CB 4.05Å; A79-F307 HydrophobicContact CB-CD2 4.12Å; A79-F307 HydrophobicContact CB-CE2 4.05Å; E265-F307 HydrophobicContact CB-CE1 3.86Å; E265-F307 HydrophobicContact CB-CZ 3.75Å; E265-F307 HydrophobicContact CG-CD1 4.46Å; E265-F307 HydrophobicContact CG-CE1 3.61Å; E265-F307 HydrophobicContact CG-CZ 4.06Å; I269-F307 HydrophobicContact CD1-CE2 3.79Å; I269-F307 HydrophobicContact CD1-CZ 4.27Å; I269-F307 HydrophobicContact CG1-CE2 3.59Å; I269-F307 HydrophobicContact CG1-CZ 4.01Å; C303-F307 HydrophobicContact CB-CD1 4.29Å; C303-F307 HydrophobicContact CB-CE1 4.47Å; G305-F307 VanDerWaalsContact C-N 3.29Å; F307-R309 VanDerWaalsContact C-N 3.31Å; F307-R309 PolarHBondContact O-N 2.9Å; F307-L310 PolarHBondContact O-N 3.06Å; F307-L311 HydrophobicContact CD1-CD1 4.45Å; F307-L311 HydrophobicContact CD2-CD1 4.45Å; F307-L311 HydrophobicContact CD2-CG 4.35Å; F307-L311 HydrophobicContact CE1-CD1 3.79Å; F307-L311 HydrophobicContact CE2-CD1 3.8Å; F307-L311 HydrophobicContact CE2-CD2 4.12Å; F307-L311 HydrophobicContact CE2-CG 3.96Å; F307-L311 HydrophobicContact CZ-CD1 3.45Å; F307-L311 VanDerWaalsContact CZ-CD1 3.45Å; F307-L311 HydrophobicContact CZ-CG 4.14Å; F307-L311 WeakPolarHBondContact O-CG 3.28Å; F307-L311 PolarHBondContact O-N 3.48Å; F307-L311 VanDerWaalsContact O-N 3.1Å |
| 308 | K | 98.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.1 | -50.3 | 172.6 | 172.3 | 175.2 | 55.7 | 171.8 | 0 | 111.2 | D300 C303 G304 G305 L310 L311 I312 | D300-K308 HydrophobicContact CB-CD 4.33Å; D300-K308 PolarHBondContact O-NZ 3.45Å; D300-K308 VanDerWaalsContact OD1-CD 3.31Å; D300-K308 WeakPolarHBondContact OD1-CD 3.49Å; D300-K308 WeakPolarHBondContact OD1-CE 3.18Å; D300-K308 IonicContact OD1-NZ 3.3Å; D300-K308 PolarHBondContact OD1-NZ 3.17Å; C303-K308 HydrophobicContact CB-CB 3.67Å; C303-K308 HydrophobicContact CB-CG 4.17Å; C303-K308 WeakPolarHBondContact O-CD 3.31Å; G304-K308 PolarHBondContact O-N 3.05Å; G304-K308 VanDerWaalsContact O-N 3.08Å; G305-K308 PolarHBondContact O-N 2.91Å; K308-L310 VanDerWaalsContact C-N 3.32Å; K308-L310 PolarHBondContact O-N 2.88Å; K308-L311 PolarHBondContact O-N 3.46Å; K308-I312 HydrophobicContact CD-CD1 3.99Å; K308-I312 HydrophobicContact CG-CD1 3.69Å; K308-I312 HydrophobicContact CG-CG1 4.26Å; K308-I312 WeakPolarHBondContact O-CG1 3.44Å; K308-I312 PolarHBondContact O-N 3.47Å |
| 309 | R | 98.5 | Very high | 96.7 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 34% | 0.34 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -47.5 | -174.3 | -165.5 | -176.2 | -53.8 | 136.7 | 20.4 | 110.6 | E35 I38 G305 D306 F307 L311 I312 E313 | E35-R309 WeakPolarHBondContact OE2-CD 3.41Å; E35-R309 IonicContact OE2-CZ 2.9Å; E35-R309 IonicContact OE2-NE 2.65Å; E35-R309 PolarHBondContact OE2-NE 3.16Å; E35-R309 IonicContact OE2-NH1 3.16Å; E35-R309 PolarHBondContact OE2-NH1 3.26Å; I38-R309 HydrophobicContact CD1-CB 4.16Å; I38-R309 HydrophobicContact CD1-CG 4.35Å; G305-R309 PolarHBondContact O-N 3.16Å; D306-R309 PolarHBondContact O-N 3.41Å; D306-R309 IonicContact OD1-CZ 2.73Å; D306-R309 IonicContact OD1-NH1 2.86Å; D306-R309 PolarHBondContact OD1-NH1 3.19Å; D306-R309 IonicContact OD1-NH2 3.79Å; D306-R309 PolarHBondContact OD1-NH2 2.99Å; F307-R309 VanDerWaalsContact C-N 3.31Å; F307-R309 PolarHBondContact O-N 2.9Å; R309-L311 PolarHBondContact O-N 2.99Å; R309-I312 PolarHBondContact O-N 3.41Å; R309-E313 HydrophobicContact CG-CG 4.24Å; R309-E313 WeakPolarHBondContact O-CB 3.48Å; R309-E313 WeakPolarHBondContact O-CG 3.26Å; R309-E313 PolarHBondContact O-N 3.35Å |
| 310 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.9 | -51.7 | 176 | 178.1 | 63.9 | 0 | 0 | 0 | 112 | I38 V42 F76 A79 V80 M83 D306 F307 K308 I312 E313 I314 | I38-L310 HydrophobicContact CB-CD1 4.41Å; I38-L310 HydrophobicContact CD1-CB 4.25Å; I38-L310 HydrophobicContact CG1-CB 4.14Å; I38-L310 HydrophobicContact CG1-CD1 4.06Å; I38-L310 HydrophobicContact CG2-CD1 4.04Å; V42-L310 HydrophobicContact CG1-CD1 3.6Å; F76-L310 HydrophobicContact CD2-CB 4.19Å; F76-L310 HydrophobicContact CD2-CD2 3.98Å; F76-L310 HydrophobicContact CE2-CB 3.98Å; F76-L310 HydrophobicContact CE2-CD2 3.91Å; F76-L310 HydrophobicContact CE2-CG 4.45Å; A79-L310 HydrophobicContact CB-CD2 3.49Å; A79-L310 VanDerWaalsContact CB-CD2 3.49Å; V80-L310 HydrophobicContact CG2-CD2 3.9Å; M83-L310 HydrophobicContact SD-CD1 3.74Å; M83-L310 HydrophobicContact SD-CD2 4.23Å; M83-L310 HydrophobicContact SD-CG 4.31Å; D306-L310 WeakPolarHBondContact O-CB 3.46Å; D306-L310 PolarHBondContact O-N 2.95Å; F307-L310 PolarHBondContact O-N 3.06Å; K308-L310 VanDerWaalsContact C-N 3.32Å; K308-L310 PolarHBondContact O-N 2.88Å; L310-I312 VanDerWaalsContact C-N 3.3Å; L310-I312 PolarHBondContact O-N 3.13Å; L310-E313 PolarHBondContact O-N 2.94Å; L310-I314 HydrophobicContact CD1-CD1 4.28Å; L310-I314 HydrophobicContact CD1-CG1 4.44Å; L310-I314 HydrophobicContact CG-CD1 4.11Å; L310-I314 VanDerWaalsContact O-CG1 3.32Å; L310-I314 WeakPolarHBondContact O-CG1 3.43Å; L310-I314 PolarHBondContact O-N 3.3Å |
| 311 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | -178.4 | -66.3 | -172.3 | 0 | 0 | 0 | 112 | L268 I272 L299 F307 K308 R309 I314 L315 | L268-L311 HydrophobicContact CB-CD1 4.16Å; L268-L311 HydrophobicContact CD1-CD1 4.25Å; I272-L311 HydrophobicContact CB-CD2 4.23Å; I272-L311 HydrophobicContact CD1-CB 4.13Å; I272-L311 HydrophobicContact CD1-CD1 3.98Å; I272-L311 HydrophobicContact CD1-CD2 3.97Å; I272-L311 HydrophobicContact CD1-CG 4.25Å; I272-L311 HydrophobicContact CG2-CD2 4.01Å; L299-L311 HydrophobicContact CD1-CB 4.19Å; L299-L311 HydrophobicContact CD2-CD1 3.94Å; F307-L311 HydrophobicContact CD1-CD1 4.45Å; F307-L311 HydrophobicContact CD2-CD1 4.45Å; F307-L311 HydrophobicContact CD2-CG 4.35Å; F307-L311 HydrophobicContact CE1-CD1 3.79Å; F307-L311 HydrophobicContact CE2-CD1 3.8Å; F307-L311 HydrophobicContact CE2-CD2 4.12Å; F307-L311 HydrophobicContact CE2-CG 3.96Å; F307-L311 HydrophobicContact CZ-CD1 3.45Å; F307-L311 VanDerWaalsContact CZ-CD1 3.45Å; F307-L311 HydrophobicContact CZ-CG 4.14Å; F307-L311 WeakPolarHBondContact O-CG 3.28Å; F307-L311 PolarHBondContact O-N 3.48Å; F307-L311 VanDerWaalsContact O-N 3.1Å; K308-L311 PolarHBondContact O-N 3.46Å; R309-L311 PolarHBondContact O-N 2.99Å; L311-I314 PolarHBondContact O-N 3.39Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å |
| 312 | I | 98.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -41.7 | 177.5 | -71 | -179.5 | 0 | 0 | 0 | 111.6 | K296 L299 D300 K308 R309 L310 I314 L315 | K296-I312 HydrophobicContact CD-CG2 4Å; K296-I312 HydrophobicContact CG-CD1 4.39Å; K296-I312 HydrophobicContact CG-CG1 4.36Å; K296-I312 HydrophobicContact CG-CG2 3.91Å; L299-I312 HydrophobicContact CB-CG1 4.16Å; D300-I312 HydrophobicContact CB-CD1 4.04Å; K308-I312 HydrophobicContact CD-CD1 3.99Å; K308-I312 HydrophobicContact CG-CD1 3.69Å; K308-I312 HydrophobicContact CG-CG1 4.26Å; K308-I312 WeakPolarHBondContact O-CG1 3.44Å; K308-I312 PolarHBondContact O-N 3.47Å; R309-I312 PolarHBondContact O-N 3.41Å; L310-I312 VanDerWaalsContact C-N 3.3Å; L310-I312 PolarHBondContact O-N 3.13Å; I312-I314 VanDerWaalsContact C-N 3.29Å; I312-I314 PolarHBondContact O-N 3.24Å; I312-L315 WeakPolarHBondContact O-CB 3.43Å; I312-L315 PolarHBondContact O-N 3.39Å |
| 313 | E | 98.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 34.9 Ų | 34.9 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.1 | -29.9 | 179.3 | -69 | -71.4 | 140.9 | 0 | 0 | 112 | I38 Q39 V42 R309 L310 L315 H316 | I38-E313 HydrophobicContact CG2-CB 3.97Å; I38-E313 HydrophobicContact CG2-CG 3.96Å; Q39-E313 PolarHBondContact NE2-OE2 2.73Å; V42-E313 HydrophobicContact CB-CB 4.46Å; V42-E313 HydrophobicContact CG1-CB 4.05Å; V42-E313 HydrophobicContact CG2-CB 4.17Å; R309-E313 HydrophobicContact CG-CG 4.24Å; R309-E313 WeakPolarHBondContact O-CB 3.48Å; R309-E313 WeakPolarHBondContact O-CG 3.26Å; R309-E313 PolarHBondContact O-N 3.35Å; L310-E313 PolarHBondContact O-N 2.94Å; E313-L315 PolarHBondContact O-N 3.09Å; E313-H316 PolarHBondContact O-N 2.97Å |
| 314 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -25.7 | 170.3 | -65.7 | 165.1 | 0 | 0 | 0 | 111.5 | T7 V8 V42 M83 I272 V273 L280 L310 L311 I312 | T7-I314 WeakPolarHBondContact CB-O 3.29Å; T7-I314 PolarHBondContact OG1-O 3.19Å; V8-I314 HydrophobicContact CG2-CG2 4.3Å; V42-I314 HydrophobicContact CG1-CG1 3.79Å; M83-I314 HydrophobicContact CE-CD1 4.19Å; M83-I314 HydrophobicContact CE-CG1 4.15Å; M83-I314 HydrophobicContact SD-CD1 3.79Å; M83-I314 HydrophobicContact SD-CG1 4.33Å; I272-I314 HydrophobicContact CG2-CB 3.94Å; I272-I314 HydrophobicContact CG2-CD1 3.92Å; I272-I314 HydrophobicContact CG2-CG2 3.61Å; V273-I314 HydrophobicContact CG2-CD1 4.3Å; L280-I314 HydrophobicContact CD2-CG2 3.86Å; L310-I314 HydrophobicContact CD1-CD1 4.28Å; L310-I314 HydrophobicContact CD1-CG1 4.44Å; L310-I314 HydrophobicContact CG-CD1 4.11Å; L310-I314 VanDerWaalsContact O-CG1 3.32Å; L310-I314 WeakPolarHBondContact O-CG1 3.43Å; L310-I314 PolarHBondContact O-N 3.3Å; L311-I314 PolarHBondContact O-N 3.39Å; I312-I314 VanDerWaalsContact C-N 3.29Å; I312-I314 PolarHBondContact O-N 3.24Å |
| 315 | L | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.6 | -17.4 | 179.2 | -56.8 | -173.4 | 0 | 0 | 0 | 113.9 | L280 K284 L295 K296 L299 L311 I312 E313 | L280-L315 HydrophobicContact CD1-CD2 4.27Å; L280-L315 HydrophobicContact CD2-CD2 3.62Å; L280-L315 HydrophobicContact CG-CD2 3.91Å; K284-L315 HydrophobicContact CD-CB 4.08Å; K284-L315 HydrophobicContact CD-CD2 4.19Å; K284-L315 HydrophobicContact CG-CD2 4.27Å; K284-L315 PolarHBondContact NZ-O 3.03Å; L295-L315 HydrophobicContact CB-CD1 4.21Å; L295-L315 HydrophobicContact CD2-CD1 3.94Å; L295-L315 HydrophobicContact CD2-CD2 3.93Å; L295-L315 HydrophobicContact CG-CD1 3.81Å; K296-L315 HydrophobicContact CB-CD1 4.29Å; L299-L315 HydrophobicContact CD1-CD1 3.65Å; L299-L315 HydrophobicContact CD1-CG 4.45Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; I312-L315 WeakPolarHBondContact O-CB 3.43Å; I312-L315 PolarHBondContact O-N 3.39Å; E313-L315 PolarHBondContact O-N 3.09Å |
| 316 | H | 81.2 | Confident | 96.7 | Very high | 113 Ų | 113 | 34.2 Ų | 34.2 | 52% | 0.523 | 15% | 0.153 | S | C | . | . | trans | 58.3 | 0 | -164.2 | -60.8 | -64.2 | 0 | 0 | 0 | 114.6 | T7 E313 | T7-H316 PolarHBondContact O-CD2 2.88Å; T7-H316 PolarHBondContact O-NE2 2.82Å; E313-H316 PolarHBondContact O-N 2.97Å |
Retrieved 316 of 316 residues in 369.6 ms
(Link to these results)